smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000853427164	979607000	/nfs/dbraw/zinc/60/70/00/979607000.db2.gz	PPWYUQRUMCKSQG-NSHDSACASA-N	-2	0	334.372	2.772	20	50		EFGDRL
O=C([O-])Nc1cccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)c1	ZINC000833291625	601324836	/nfs/dbraw/zinc/32/48/36/601324836.db2.gz	NRGOVKGBGLSKSX-UHFFFAOYSA-N	-2	0	339.307	2.598	20	50		EFGDRL
N#C/C(=C/c1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	ZINC000098067951	958355045	/nfs/dbraw/zinc/35/50/45/958355045.db2.gz	HWKWJKKQIGROTJ-BHQIHCQQSA-N	-2	0	346.962	2.909	20	50		EFGDRL
O=C([O-])Nc1cccc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)c1	ZINC000740034078	978664099	/nfs/dbraw/zinc/66/40/99/978664099.db2.gz	RHLPKWMFRIUXFL-UHFFFAOYSA-N	-2	0	339.311	2.583	20	50		EFGDRL
O=C([O-])C1(C(=O)N[N-]C(=O)c2cc3ccccc3o2)CCCCCC1	ZINC001594783026	953652288	/nfs/dbraw/zinc/65/22/88/953652288.db2.gz	RSKGZPMUAQFGQZ-UHFFFAOYSA-N	-2	0	344.367	2.619	20	50		EFGDRL
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490550267	974253865	/nfs/dbraw/zinc/25/38/65/974253865.db2.gz	SXOQQEHYHADIHI-LCYFTJDESA-N	-2	0	336.303	2.629	20	50		EFGDRL
O=C([O-])Nc1ccc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1	ZINC000832839033	603498276	/nfs/dbraw/zinc/49/82/76/603498276.db2.gz	PGLZUAPFKBYKQB-UHFFFAOYSA-N	-2	0	339.307	2.598	20	50		EFGDRL
N#CC(=Cc1ccc([O-])c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1	ZINC000826379509	1430200607	/nfs/dbraw/zinc/20/06/07/1430200607.db2.gz	UESWXMOVKKMWTH-MLPAPPSSSA-N	-2	0	335.298	2.501	20	50		EFGDRL
O=C([O-])c1cccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)c1	ZINC000821549650	955518832	/nfs/dbraw/zinc/51/88/32/955518832.db2.gz	MVPNPGDGFUOGCJ-UHFFFAOYSA-N	-2	0	331.275	2.617	20	50		EFGDRL
CCCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCCCC(=O)[O-])c1C	ZINC001595803489	982624668	/nfs/dbraw/zinc/62/46/68/982624668.db2.gz	TUBHFUWPCFBFNN-WJDWOHSUSA-N	-2	0	347.415	2.725	20	50		EFGDRL
O=C([O-])Cc1ccccc1NS(=O)(=O)c1cccc(CCl)c1	ZINC001595138127	952067259	/nfs/dbraw/zinc/06/72/59/952067259.db2.gz	RVCZHPHODAGKKV-UHFFFAOYSA-N	-2	0	339.800	2.853	20	50		EFGDRL
Cc1cc(COc2ccc(/C=C(/C#N)C(=O)[O-])cc2)oc1C(=O)[O-]	ZINC000729987988	978295983	/nfs/dbraw/zinc/29/59/83/978295983.db2.gz	YBDRGCYQRBNOII-GHXNOFRVSA-N	-2	0	327.292	2.857	20	50		EFGDRL
O=C([O-])c1ccccc1NC(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC001594783158	953653642	/nfs/dbraw/zinc/65/36/42/953653642.db2.gz	ULFDHEFINIFVLR-UHFFFAOYSA-N	-2	0	339.307	2.598	20	50		EFGDRL
Cc1cc(C(=O)[O-])cc(C(=O)N[N-]C(=O)c2cc3ccccc3o2)c1	ZINC001594288482	957799080	/nfs/dbraw/zinc/79/90/80/957799080.db2.gz	ROUFXWITJUWPTP-UHFFFAOYSA-N	-2	0	338.319	2.514	20	50		EFGDRL
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000212140206	967687832	/nfs/dbraw/zinc/68/78/32/967687832.db2.gz	RZTHOIWUWDVVML-ZROIWOOFSA-N	-2	0	336.303	2.629	20	50		EFGDRL
CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])o1	ZINC001591998784	976646831	/nfs/dbraw/zinc/64/68/31/976646831.db2.gz	VPSSFGMQLOOJET-UHFFFAOYSA-N	-2	0	347.396	2.733	20	50		EFGDRL
O=C([O-])N[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1	ZINC000738660071	978583434	/nfs/dbraw/zinc/58/34/34/978583434.db2.gz	BLPIWCSJUHAUNO-UHFFFAOYSA-N	-2	0	342.760	2.593	20	50		EFGDRL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1cc(C(=O)[O-])cs1	ZINC000814858916	978893902	/nfs/dbraw/zinc/89/39/02/978893902.db2.gz	GZXRCBIIHHBVOL-UHFFFAOYSA-N	-2	0	347.352	2.690	20	50		EFGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1F	ZINC000833148219	604310287	/nfs/dbraw/zinc/31/02/87/604310287.db2.gz	FJOYUSNHHDJWIR-UHFFFAOYSA-N	-2	0	349.265	2.756	20	50		EFGDRL
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000490879340	953531311	/nfs/dbraw/zinc/53/13/11/953531311.db2.gz	QWOUMDRDWJRUCX-NTEUORMPSA-N	-2	0	336.303	2.629	20	50		EFGDRL
Cc1cc(C(=O)[O-])cc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)c1	ZINC001594288542	957798697	/nfs/dbraw/zinc/79/86/97/957798697.db2.gz	VWCJRLRATHYUBY-UHFFFAOYSA-N	-2	0	345.302	2.925	20	50		EFGDRL
O=C([O-])c1cccnc1NNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC001606528542	974036119	/nfs/dbraw/zinc/03/61/19/974036119.db2.gz	LLMFTQFJJURHSV-UHFFFAOYSA-N	-2	0	342.138	2.549	20	50		EFGDRL
CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(C(=O)[O-])cc1	ZINC000734095895	978300532	/nfs/dbraw/zinc/30/05/32/978300532.db2.gz	AIRGTAZMHIYAPC-UHFFFAOYSA-N	-2	0	332.743	2.898	20	50		EFGDRL
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000013345040	957031879	/nfs/dbraw/zinc/03/18/79/957031879.db2.gz	SXOQQEHYHADIHI-UKTHLTGXSA-N	-2	0	336.303	2.629	20	50		EFGDRL
Cc1cc(C(=O)[O-])cc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)c1	ZINC001594288160	957794322	/nfs/dbraw/zinc/79/43/22/957794322.db2.gz	AWEQKJYUQVMDJM-UHFFFAOYSA-N	-2	0	338.323	2.500	20	50		EFGDRL
CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1cc(C(=O)[O-])cs1	ZINC000814849979	978892139	/nfs/dbraw/zinc/89/21/39/978892139.db2.gz	SAJONKCYWGIGQP-UHFFFAOYSA-N	-2	0	338.772	2.959	20	50		EFGDRL
CC(=NNC(=O)c1cccc(C(=O)[O-])c1)[C@H](C)CCCCC(=O)[O-]	ZINC000853427162	979607312	/nfs/dbraw/zinc/60/73/12/979607312.db2.gz	PPWYUQRUMCKSQG-LLVKDONJSA-N	-2	0	334.372	2.772	20	50		EFGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)s1	ZINC000833311207	601800089	/nfs/dbraw/zinc/80/00/89/601800089.db2.gz	CPEZOVCMXQFKOW-UHFFFAOYSA-N	-2	0	337.304	2.679	20	50		EFGDRL
N#C/C(=C\c1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	ZINC000211811921	959699466	/nfs/dbraw/zinc/69/94/66/959699466.db2.gz	HWKWJKKQIGROTJ-LZCJLJQNSA-N	-2	0	346.962	2.909	20	50		EFGDRL
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000006209967	967492413	/nfs/dbraw/zinc/49/24/13/967492413.db2.gz	RZTHOIWUWDVVML-NTEUORMPSA-N	-2	0	336.303	2.629	20	50		EFGDRL
O=C([O-])Nc1ccc(C(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1	ZINC000738659653	978583476	/nfs/dbraw/zinc/58/34/76/978583476.db2.gz	BDXYOFYRVMXCJS-UHFFFAOYSA-N	-2	0	339.311	2.583	20	50		EFGDRL
CC(=NNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(C(=O)[O-])cc1	ZINC000743443490	978679030	/nfs/dbraw/zinc/67/90/30/978679030.db2.gz	HCTLIESWUKBMQL-UHFFFAOYSA-N	-2	0	341.323	2.629	20	50		EFGDRL
CCCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]OCCCC(=O)[O-])c1C	ZINC001595803482	982624586	/nfs/dbraw/zinc/62/45/86/982624586.db2.gz	TUBHFUWPCFBFNN-LFIBNONCSA-N	-2	0	347.415	2.725	20	50		EFGDRL
CCCN([N-]C(=O)c1oc(C(=O)[O-])cc1C)C(=O)OC(C)(C)C	ZINC001595894550	982930147	/nfs/dbraw/zinc/93/01/47/982930147.db2.gz	KHDMSDKCRMAAED-UHFFFAOYSA-N	-2	0	326.349	2.578	20	50		EFGDRL
O=C([O-])Nc1ccccc1C(=O)NN=c1[n-]c(-c2ccccc2)no1	ZINC000740044994	978665050	/nfs/dbraw/zinc/66/50/50/978665050.db2.gz	FETORHWFUDZJQG-UHFFFAOYSA-N	-2	0	339.311	2.583	20	50		EFGDRL
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000490879342	953531101	/nfs/dbraw/zinc/53/11/01/953531101.db2.gz	QWOUMDRDWJRUCX-ZROIWOOFSA-N	-2	0	336.303	2.629	20	50		EFGDRL
O=C([O-])c1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1	ZINC000821544388	955517570	/nfs/dbraw/zinc/51/75/70/955517570.db2.gz	OXFUMIZTSUNLTF-UHFFFAOYSA-N	-2	0	331.275	2.617	20	50		EFGDRL
Cc1cc(COc2ccc(/C=C(\C#N)C(=O)[O-])cc2)oc1C(=O)[O-]	ZINC000729987989	978296048	/nfs/dbraw/zinc/29/60/48/978296048.db2.gz	YBDRGCYQRBNOII-KPKJPENVSA-N	-2	0	327.292	2.857	20	50		EFGDRL
O=C([O-])Nc1ccccc1C(=O)N[N-]C(=O)c1cc2ccccc2o1	ZINC000833287731	605704685	/nfs/dbraw/zinc/70/46/85/605704685.db2.gz	NPPMLUYPKIKEHS-UHFFFAOYSA-N	-2	0	339.307	2.598	20	50		EFGDRL