smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CS(=O)(=O)[N-]c1ccc([O-])c(F)c1	ZINC000085200956	846320678	/nfs/dbraw/zinc/32/06/78/846320678.db2.gz	YLCSWLTYWSTLNB-UHFFFAOYSA-N	-2	3	277.273	0.836	20	10		CCCDHL
COc1ccc(CNc2nc3[nH][n-]cc-3c(=O)n2)c([O-])c1	ZINC000795284916	581403015	/nfs/dbraw/zinc/40/30/15/581403015.db2.gz	MVLOUIKEDSFRET-UHFFFAOYSA-N	-2	3	287.279	0.758	20	10		CCCDHL
CCn1[n-]nnc1=NC(=O)NCc1c([O-])cccc1F	ZINC001310733851	908509925	/nfs/dbraw/zinc/50/99/25/908509925.db2.gz	ANINDMBOQMXFTK-UHFFFAOYSA-N	-2	3	280.263	0.281	20	10		CCCDHL
O=C([O-])CSCCNC(=O)c1cccc(O)c1[O-]	ZINC000389307857	972218143	/nfs/dbraw/zinc/21/81/43/972218143.db2.gz	ANDLQZYEVBYDAH-UHFFFAOYSA-N	-2	3	271.294	0.645	20	10		CCCDHL
O=C(N=c1[n-]cnn2cccc12)c1cccc(O)c1[O-]	ZINC001148212711	840761661	/nfs/dbraw/zinc/76/16/61/840761661.db2.gz	HGGOKTPBIMKIDN-UHFFFAOYSA-N	-2	3	270.248	0.815	20	10		CCCDHL
O=C([O-])[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000126013225	967621826	/nfs/dbraw/zinc/62/18/26/967621826.db2.gz	OQJPFRAKQQUFGU-VIFPVBQESA-N	-2	3	267.237	0.023	20	10		CCCDHL
Cn1nccc1[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000402812067	973650625	/nfs/dbraw/zinc/65/06/25/973650625.db2.gz	JZMSUZIBNRIKEX-JTQLQIEISA-N	-2	3	291.263	0.387	20	10		CCCDHL
COCCOCCS(=O)(=O)[N-]c1ccc([O-])cc1F	ZINC000758169073	581723881	/nfs/dbraw/zinc/72/38/81/581723881.db2.gz	MBPVJUHVDYMXLL-UHFFFAOYSA-N	-2	3	293.316	0.936	20	10		CCCDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000775287268	582017319	/nfs/dbraw/zinc/01/73/19/582017319.db2.gz	XQBCDSQUNNRFRM-UHFFFAOYSA-N	-2	3	297.292	0.703	20	10		CCCDHL
CO[N-]C(=O)CNC(=O)NCc1c([O-])cccc1F	ZINC000927218831	617113319	/nfs/dbraw/zinc/11/33/19/617113319.db2.gz	IMEXGCBWKGXESC-UHFFFAOYSA-N	-2	3	271.248	0.008	20	10		CCCDHL
COC(=O)CCS(=O)(=O)[N-]c1ccc([O-])c(F)c1F	ZINC000830184455	616567584	/nfs/dbraw/zinc/56/75/84/616567584.db2.gz	GOYZMAJOPKCZKN-UHFFFAOYSA-N	-2	3	295.263	0.975	20	10		CCCDHL
C[C@H](/C=C/C(=O)[O-])NC(=O)c1cccc(O)c1[O-]	ZINC001592206622	977244364	/nfs/dbraw/zinc/24/43/64/977244364.db2.gz	UWBNVTVKIXTQJO-WEWAHIQMSA-N	-2	3	251.238	0.857	20	10		CCCDHL
C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cccc(O)c1[O-]	ZINC001592206623	977244467	/nfs/dbraw/zinc/24/44/67/977244467.db2.gz	UWBNVTVKIXTQJO-XPPMVYLVSA-N	-2	3	251.238	0.857	20	10		CCCDHL
C[C@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1[O-]	ZINC000736208429	581716199	/nfs/dbraw/zinc/71/61/99/581716199.db2.gz	NRBWVHBHSNWCNC-SECBINFHSA-N	-2	3	266.297	0.413	20	10		CCCDHL
C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NCC(=O)[O-]	ZINC000736691330	581819978	/nfs/dbraw/zinc/81/99/78/581819978.db2.gz	QWZKIVZTAVLSRT-YFKPBYRVSA-N	-2	3	273.266	0.200	20	10		CCCDHL
O=C([O-])c1cc(C(=O)NCc2c([O-])cccc2F)[nH]n1	ZINC001594767498	953536314	/nfs/dbraw/zinc/53/63/14/953536314.db2.gz	COIMDELKQOISFA-UHFFFAOYSA-N	-2	3	279.227	0.883	20	10		CCCDHL
O=C([O-])[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1	ZINC000126013451	967621876	/nfs/dbraw/zinc/62/18/76/967621876.db2.gz	OQJPFRAKQQUFGU-SECBINFHSA-N	-2	3	267.237	0.023	20	10		CCCDHL
Cn1[n-]nnc1=Nc1ccc(OC(F)(F)F)cc1[O-]	ZINC001214386800	803738385	/nfs/dbraw/zinc/73/83/85/803738385.db2.gz	MPFGADFXSYLIIY-UHFFFAOYSA-N	-2	3	275.190	0.980	20	10		CCCDHL
O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cccc(O)c1[O-]	ZINC001148220183	840766962	/nfs/dbraw/zinc/76/69/62/840766962.db2.gz	WOWUKIVSNINMDE-SECBINFHSA-N	-2	3	268.250	0.137	20	10		CCCDHL
O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-]	ZINC000086815124	957995344	/nfs/dbraw/zinc/99/53/44/957995344.db2.gz	FVGUTEZMCKMWMP-SNVBAGLBSA-N	-2	3	298.726	0.821	20	10		CCCDHL
O=C([O-])C1(CNC(=O)c2cccc(O)c2[O-])CC1	ZINC000126075631	958579734	/nfs/dbraw/zinc/57/97/34/958579734.db2.gz	URFSNZGDCDVXCZ-UHFFFAOYSA-N	-2	3	251.238	0.692	20	10		CCCDHL
CCn1c(=O)[n-]nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000058052544	523094218	/nfs/dbraw/zinc/09/42/18/523094218.db2.gz	LVEOKDHBSXSJHU-UHFFFAOYSA-N	-2	3	295.320	0.978	20	10		CCCDHL
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc([O-])cs2)C1=O	ZINC000769850285	581710596	/nfs/dbraw/zinc/71/05/96/581710596.db2.gz	BUPCWIVFKCMMSH-LLVKDONJSA-N	-2	3	283.309	0.819	20	10		CCCDHL
C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NCC(=O)[O-]	ZINC000736691329	581819970	/nfs/dbraw/zinc/81/99/70/581819970.db2.gz	QWZKIVZTAVLSRT-RXMQYKEDSA-N	-2	3	273.266	0.200	20	10		CCCDHL
O=C([O-])c1cn(C2CN(Cc3cc(F)ccc3[O-])C2)nn1	ZINC000236479759	960665842	/nfs/dbraw/zinc/66/58/42/960665842.db2.gz	WGQBZCZMUCURNT-UHFFFAOYSA-N	-2	3	292.270	0.878	20	10		CCCDHL
O=C(NCCc1nc(=O)o[n-]1)c1cc([O-])cs1	ZINC000790992672	581204232	/nfs/dbraw/zinc/20/42/32/581204232.db2.gz	QMJWQENBZGRLLZ-UHFFFAOYSA-N	-2	3	255.255	0.103	20	10		CCCDHL
Cn1[n-]nnc1=Nc1cc(OC(F)(F)F)ccc1[O-]	ZINC001214373468	803737199	/nfs/dbraw/zinc/73/71/99/803737199.db2.gz	SLJWJZPIPBAILB-UHFFFAOYSA-N	-2	3	275.190	0.980	20	10		CCCDHL
CON(C(=O)c1ccc(C)c(O)c1[O-])[C@@H](C)C(=O)[O-]	ZINC001594040199	957858945	/nfs/dbraw/zinc/85/89/45/957858945.db2.gz	UGBNLEUBTMFDJI-ZETCQYMHSA-N	-2	3	269.253	0.883	20	10		CCCDHL
O=C([O-])N[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1	ZINC000740586650	581374108	/nfs/dbraw/zinc/37/41/08/581374108.db2.gz	NVWMMVQCEDEEIL-ZCFIWIBFSA-N	-2	3	256.283	0.936	20	10		CCCDHL
O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-]	ZINC000125983494	949260058	/nfs/dbraw/zinc/26/00/58/949260058.db2.gz	SZIXXBPCHUOKDH-QMMMGPOBSA-N	-2	3	251.238	0.787	20	10		CCCDHL
COCCS(=O)(=O)[N-]c1ccc([O-])cc1C(C)=O	ZINC000766047426	581548300	/nfs/dbraw/zinc/54/83/00/581548300.db2.gz	HZVKVRSMQPKKSO-UHFFFAOYSA-N	-2	3	273.310	0.983	20	10		CCCDHL
CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000125982087	949260952	/nfs/dbraw/zinc/26/09/52/949260952.db2.gz	ZUVFIQHIFQLNDW-SECBINFHSA-N	-2	3	253.254	0.937	20	10		CCCDHL
COC(=O)CN(CC(=O)[O-])Cc1cc2c(cc1[O-])OCO2	ZINC000737614378	581991418	/nfs/dbraw/zinc/99/14/18/581991418.db2.gz	CCRZSLVZHGFOPH-UHFFFAOYSA-N	-2	3	297.263	0.181	20	10		CCCDHL
Cc1[n-][nH]c2ncnc(=NC(=O)c3cccc(O)c3[O-])c1-2	ZINC001148212938	840761985	/nfs/dbraw/zinc/76/19/85/840761985.db2.gz	POSYUVSATJKNNB-UHFFFAOYSA-N	-2	3	285.263	0.698	20	10		CCCDHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cccc(O)c1[O-]	ZINC001148219833	840766469	/nfs/dbraw/zinc/76/64/69/840766469.db2.gz	AMKDFYUGICSVJZ-QMMMGPOBSA-N	-2	3	297.263	0.234	20	10		CCCDHL
N#Cc1nc(NC(=O)c2cccc([O-])c2O)[n-]c1C#N	ZINC000192979176	625495658	/nfs/dbraw/zinc/49/56/58/625495658.db2.gz	FSCBQYNTPZPPLQ-UHFFFAOYSA-N	-2	3	269.220	0.817	20	10		CCCDHL
O=C(NC1C(=O)N=CN=C1[O-])c1cccc(O)c1[O-]	ZINC001148211947	840762313	/nfs/dbraw/zinc/76/23/13/840762313.db2.gz	DRWSOKAYXPASDA-UHFFFAOYSA-N	-2	3	263.209	0.551	20	10		CCCDHL
O=C([O-])[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000126020668	949262713	/nfs/dbraw/zinc/26/27/13/949262713.db2.gz	PRRAMUNXABLEDJ-SSDOTTSWSA-N	-2	3	251.238	0.645	20	10		CCCDHL
COCCN(CCC(=O)[O-])C(=O)c1cccc(O)c1[O-]	ZINC001604604944	973718196	/nfs/dbraw/zinc/71/81/96/973718196.db2.gz	XKBHBIIAQHEXFN-UHFFFAOYSA-N	-2	3	283.280	0.661	20	10		CCCDHL
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc([O-])cs2)C1=O	ZINC000769850287	581710253	/nfs/dbraw/zinc/71/02/53/581710253.db2.gz	BUPCWIVFKCMMSH-NSHDSACASA-N	-2	3	283.309	0.819	20	10		CCCDHL
O=C([O-])N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1	ZINC000740402056	581676637	/nfs/dbraw/zinc/67/66/37/581676637.db2.gz	VOXFBLBRCFVWGQ-ZCFIWIBFSA-N	-2	3	256.283	0.936	20	10		CCCDHL
O=C([O-])N1CCN(CCNC(=O)c2cc([O-])cs2)CC1	ZINC000740441897	581682283	/nfs/dbraw/zinc/68/22/83/581682283.db2.gz	QNCPLHDISQCLTG-UHFFFAOYSA-N	-2	3	299.352	0.479	20	10		CCCDHL
O=C(NCc1nn[n-]n1)c1cc(O)c([O-])c(Cl)c1	ZINC001193625417	846129027	/nfs/dbraw/zinc/12/90/27/846129027.db2.gz	IQOUTBWTZGIOQE-UHFFFAOYSA-N	-2	3	269.648	0.194	20	10		CCCDHL
O=C([O-])CCNC(=O)NCc1c([O-])cccc1F	ZINC001353015760	925702555	/nfs/dbraw/zinc/70/25/55/925702555.db2.gz	OZWUDTOEBHMRJB-UHFFFAOYSA-N	-2	3	256.233	0.805	20	10		CCCDHL
O=C([O-])C1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000386625973	972069383	/nfs/dbraw/zinc/06/93/83/972069383.db2.gz	FDDJKBZBQZPZKK-UHFFFAOYSA-N	-2	3	281.264	0.150	20	10		CCCDHL
O=C1[N-]C(=O)N2CCN(Cc3cccc(Cl)c3[O-])C[C@H]12	ZINC000779432387	581185215	/nfs/dbraw/zinc/18/52/15/581185215.db2.gz	FDIOSVYAEQHURA-SNVBAGLBSA-N	-2	3	295.726	0.782	20	10		CCCDHL
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1[O-]	ZINC000825946854	614249463	/nfs/dbraw/zinc/24/94/63/614249463.db2.gz	TWCWBBCLEGKWHQ-PWSUYJOCSA-N	-2	3	297.282	0.754	20	10		CCCDHL
COC(=O)c1cc([O-])c(F)cc1[N-]S(C)(=O)=O	ZINC001252727477	807951209	/nfs/dbraw/zinc/95/12/09/807951209.db2.gz	VRVFSMUVUCIYTM-UHFFFAOYSA-N	-2	3	263.246	0.689	20	10		CCCDHL
O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1	ZINC000236439753	598211232	/nfs/dbraw/zinc/21/12/32/598211232.db2.gz	QXLWZMZQRVFCRC-NSHDSACASA-N	-2	3	255.245	0.817	20	10		CCCDHL
O=C([O-])[C@H]1COCCN1Cc1cc(F)ccc1[O-]	ZINC000236434585	960594591	/nfs/dbraw/zinc/59/45/91/960594591.db2.gz	BSFBDVNZOQBVTF-SNVBAGLBSA-N	-2	3	255.245	0.817	20	10		CCCDHL
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2[O-])C1=O	ZINC000279043481	523603519	/nfs/dbraw/zinc/60/35/19/523603519.db2.gz	CTVYYVPQPQQWAY-ZDUSSCGKSA-N	-2	3	293.279	0.463	20	10		CCCDHL
O=C1[N-]C(=O)N2CCN(Cc3cccc(Cl)c3[O-])C[C@@H]12	ZINC000779432385	581185453	/nfs/dbraw/zinc/18/54/53/581185453.db2.gz	FDIOSVYAEQHURA-JTQLQIEISA-N	-2	3	295.726	0.782	20	10		CCCDHL
O=C([O-])N1CC[C@H](NC(=O)c2cc([O-])cs2)C1	ZINC000740402055	581676321	/nfs/dbraw/zinc/67/63/21/581676321.db2.gz	VOXFBLBRCFVWGQ-LURJTMIESA-N	-2	3	256.283	0.936	20	10		CCCDHL
CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000125981872	958574367	/nfs/dbraw/zinc/57/43/67/958574367.db2.gz	ZUVFIQHIFQLNDW-VIFPVBQESA-N	-2	3	253.254	0.937	20	10		CCCDHL
O=C([O-])N1CCN(C(=O)c2cc([O-])cs2)CC1	ZINC000738643651	581724996	/nfs/dbraw/zinc/72/49/96/581724996.db2.gz	CYNNBEOLMZKHMS-UHFFFAOYSA-N	-2	3	256.283	0.890	20	10		CCCDHL
COC(=O)CCS(=O)(=O)[N-]c1cc(F)c([O-])cc1F	ZINC001188389073	844877033	/nfs/dbraw/zinc/87/70/33/844877033.db2.gz	PSAREQZDJSYNLC-UHFFFAOYSA-N	-2	3	295.263	0.975	20	10		CCCDHL
COCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126016320	958576680	/nfs/dbraw/zinc/57/66/80/958576680.db2.gz	GMWGPKFZZNNTQZ-MRVPVSSYSA-N	-2	3	269.253	0.317	20	10		CCCDHL
O=C([O-])N[C@H]1CCN(C(=O)c2cc([O-])cs2)C1	ZINC000740586645	581374090	/nfs/dbraw/zinc/37/40/90/581374090.db2.gz	NVWMMVQCEDEEIL-LURJTMIESA-N	-2	3	256.283	0.936	20	10		CCCDHL
CON(C(=O)c1cccc(O)c1[O-])[C@H](C)CC(=O)[O-]	ZINC001599311864	997429019	/nfs/dbraw/zinc/42/90/19/997429019.db2.gz	PJTFBEFCKMBHEB-SSDOTTSWSA-N	-2	3	269.253	0.965	20	10		CCCDHL
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2[O-])C1=O	ZINC000279043478	523733762	/nfs/dbraw/zinc/73/37/62/523733762.db2.gz	CTVYYVPQPQQWAY-CYBMUJFWSA-N	-2	3	293.279	0.463	20	10		CCCDHL
O=C(NCCCCP(=O)([O-])[O-])c1cccc(O)c1O	ZINC001148220118	840766019	/nfs/dbraw/zinc/76/60/19/840766019.db2.gz	RSWJWTUGCNHBET-UHFFFAOYSA-N	-2	3	289.224	0.786	20	10		CCCDHL
COCC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126016074	958576998	/nfs/dbraw/zinc/57/69/98/958576998.db2.gz	GMWGPKFZZNNTQZ-QMMMGPOBSA-N	-2	3	269.253	0.317	20	10		CCCDHL
C[C@H](/C=C\C(=O)[O-])NC(=O)c1cccc(O)c1[O-]	ZINC001592206619	977244349	/nfs/dbraw/zinc/24/43/49/977244349.db2.gz	UWBNVTVKIXTQJO-KXTMECRCSA-N	-2	3	251.238	0.857	20	10		CCCDHL
O=C([N-]N1CCCCC1=O)c1c([O-])c(O)ccc1F	ZINC000276518800	526843927	/nfs/dbraw/zinc/84/39/27/526843927.db2.gz	CECUNJXLRKYJFB-UHFFFAOYSA-N	-2	3	268.244	0.894	20	10		CCCDHL
O=C([O-])N1CC(CNC(=O)c2cc([O-])cs2)C1	ZINC000834036636	605786101	/nfs/dbraw/zinc/78/61/01/605786101.db2.gz	NRWQHIIPUCBKDC-UHFFFAOYSA-N	-2	3	256.283	0.793	20	10		CCCDHL
O=C([O-])CCC(=O)CNC(=O)c1cccc(O)c1[O-]	ZINC001148224900	840766880	/nfs/dbraw/zinc/76/68/80/840766880.db2.gz	YZABQFHFXJUIJJ-UHFFFAOYSA-N	-2	3	267.237	0.262	20	10		CCCDHL
O=C(NCc1nnn[n-]1)c1ccc(O)c([O-])c1Cl	ZINC001193236748	846031135	/nfs/dbraw/zinc/03/11/35/846031135.db2.gz	PTSQTLJFXCXOSK-UHFFFAOYSA-N	-2	3	269.648	0.194	20	10		CCCDHL
O=C([O-])c1cc(NC(=O)c2cccc(O)c2[O-])[nH]n1	ZINC000126039650	949262359	/nfs/dbraw/zinc/26/23/59/949262359.db2.gz	OXAALVRKNSLEOF-UHFFFAOYSA-N	-2	3	263.209	0.771	20	10		CCCDHL
CC[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126044258	949262087	/nfs/dbraw/zinc/26/20/87/949262087.db2.gz	YXZAKVZDOCGOOY-SSDOTTSWSA-N	-2	3	253.254	0.938	20	10		CCCDHL
Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c([O-])c1O	ZINC001594347756	958331186	/nfs/dbraw/zinc/33/11/86/958331186.db2.gz	RYDDXHXFSJOPCO-UHFFFAOYSA-N	-2	3	291.263	0.940	20	10		CCCDHL
Cn1[n-]c(COC(=O)c2cc([O-])cs2)nc1=O	ZINC000765473046	581517861	/nfs/dbraw/zinc/51/78/61/581517861.db2.gz	IGEWBABBCUZITR-UHFFFAOYSA-N	-2	3	255.255	0.233	20	10		CCCDHL
O=C(CNC(=O)c1ccncc1[O-])c1ccc([O-])c(O)c1	ZINC001188637706	844944066	/nfs/dbraw/zinc/94/40/66/844944066.db2.gz	GLUCCZOCGDTMOD-UHFFFAOYSA-N	-2	3	288.259	0.811	20	10		CCCDHL
CC[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126044020	949261738	/nfs/dbraw/zinc/26/17/38/949261738.db2.gz	YXZAKVZDOCGOOY-ZETCQYMHSA-N	-2	3	253.254	0.938	20	10		CCCDHL
Cn1nccc1[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000402812075	973650987	/nfs/dbraw/zinc/65/09/87/973650987.db2.gz	JZMSUZIBNRIKEX-SNVBAGLBSA-N	-2	3	291.263	0.387	20	10		CCCDHL
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(O)c1[O-]	ZINC001596878020	985738975	/nfs/dbraw/zinc/73/89/75/985738975.db2.gz	CRVJLRHWBMSPEO-SECBINFHSA-N	-2	3	283.280	0.660	20	10		CCCDHL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001589270169	985957631	/nfs/dbraw/zinc/95/76/31/985957631.db2.gz	BRUSPCAEHTZGMS-UHFFFAOYSA-N	-2	3	287.293	0.811	20	10		CCCDHL
NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-]	ZINC000739162981	581514646	/nfs/dbraw/zinc/51/46/46/581514646.db2.gz	HSJUYIWMKXZXHL-UHFFFAOYSA-N	-2	3	272.688	0.418	20	10		CCCDHL
C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C(=O)[O-])O1	ZINC001599925306	985191685	/nfs/dbraw/zinc/19/16/85/985191685.db2.gz	MMKRARDWFDWTOP-XVKPBYJWSA-N	-2	3	281.264	0.412	20	10		CCCDHL
Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c([O-])c1O	ZINC000780962179	581252746	/nfs/dbraw/zinc/25/27/46/581252746.db2.gz	JWJNIBKXHNEWDQ-UHFFFAOYSA-N	-2	3	264.241	0.160	20	10		CCCDHL
O=C([O-])[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000126020450	949261669	/nfs/dbraw/zinc/26/16/69/949261669.db2.gz	PRRAMUNXABLEDJ-ZETCQYMHSA-N	-2	3	251.238	0.645	20	10		CCCDHL
COC[C@@]1(C(=O)[O-])CN(Cc2cccc(F)c2[O-])CCO1	ZINC001593984600	956752789	/nfs/dbraw/zinc/75/27/89/956752789.db2.gz	ROROSSIBMXTLMH-CQSZACIVSA-N	-2	3	299.298	0.833	20	10		CCCDHL
O=C([O-])C[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-]	ZINC000086815122	957995760	/nfs/dbraw/zinc/99/57/60/957995760.db2.gz	FVGUTEZMCKMWMP-JTQLQIEISA-N	-2	3	298.726	0.821	20	10		CCCDHL
O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(O)c([O-])c(O)c1	ZINC001148581736	840851178	/nfs/dbraw/zinc/85/11/78/840851178.db2.gz	UFYTXBQYBWSRGT-UHFFFAOYSA-N	-2	3	287.235	0.096	20	10		CCCDHL
COCCN(CC(=O)[O-])C(=O)c1cccc(O)c1[O-]	ZINC000126011572	958577191	/nfs/dbraw/zinc/57/71/91/958577191.db2.gz	DTZVIFFXYNILGQ-UHFFFAOYSA-N	-2	3	269.253	0.271	20	10		CCCDHL
O=C([O-])[C@@H]1COCCN1Cc1cc(F)ccc1[O-]	ZINC000236452875	960626611	/nfs/dbraw/zinc/62/66/11/960626611.db2.gz	BSFBDVNZOQBVTF-JTQLQIEISA-N	-2	3	255.245	0.817	20	10		CCCDHL
O=C1[N-]C(=O)N2CCN(Cc3c([O-])cccc3Cl)C[C@@H]12	ZINC000779433125	581185406	/nfs/dbraw/zinc/18/54/06/581185406.db2.gz	QKIUGUPQUSDOAJ-JTQLQIEISA-N	-2	3	295.726	0.782	20	10		CCCDHL
O=C(N=c1ncnc2[nH][n-]cc1-2)c1cccc(O)c1[O-]	ZINC001148212778	840762040	/nfs/dbraw/zinc/76/20/40/840762040.db2.gz	LZJKDPMCSLHINN-UHFFFAOYSA-N	-2	3	271.236	0.390	20	10		CCCDHL
CON(C(=O)c1ccc(C)c(O)c1[O-])[C@H](C)C(=O)[O-]	ZINC001594040198	957859690	/nfs/dbraw/zinc/85/96/90/957859690.db2.gz	UGBNLEUBTMFDJI-SSDOTTSWSA-N	-2	3	269.253	0.883	20	10		CCCDHL
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(O)c1[O-]	ZINC001596878023	985739002	/nfs/dbraw/zinc/73/90/02/985739002.db2.gz	CRVJLRHWBMSPEO-VIFPVBQESA-N	-2	3	283.280	0.660	20	10		CCCDHL
O=C(N[C@H]1SC(=O)[N-]C1=O)c1cccc(O)c1[O-]	ZINC001148220184	840766861	/nfs/dbraw/zinc/76/68/61/840766861.db2.gz	WOWUKIVSNINMDE-VIFPVBQESA-N	-2	3	268.250	0.137	20	10		CCCDHL
O=C([O-])c1cnc(C(=O)NCc2c([O-])cccc2F)cn1	ZINC001574818625	957897098	/nfs/dbraw/zinc/89/70/98/957897098.db2.gz	QOZWPZPTDWGITE-UHFFFAOYSA-N	-2	3	291.238	0.950	20	10		CCCDHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccccc1O	ZINC000228403214	960012875	/nfs/dbraw/zinc/01/28/75/960012875.db2.gz	IXWDXICQAYTMDM-UHFFFAOYSA-N	-2	3	297.292	0.292	20	10		CCCDHL
O=C([O-])c1n[nH]cc1NC(=O)c1cccc(O)c1[O-]	ZINC001594799502	970264303	/nfs/dbraw/zinc/26/43/03/970264303.db2.gz	VYGKEPFFLZZBSZ-UHFFFAOYSA-N	-2	3	263.209	0.771	20	10		CCCDHL
O=C([O-])CN(C(=O)c1cccc(O)c1[O-])C1CCOCC1	ZINC001606221078	973476578	/nfs/dbraw/zinc/47/65/78/973476578.db2.gz	VFLMRWNWPMUUTD-UHFFFAOYSA-N	-2	3	295.291	0.804	20	10		CCCDHL
CON(C(=O)c1cccc(O)c1[O-])[C@@H](C)CC(=O)[O-]	ZINC001599311939	997431519	/nfs/dbraw/zinc/43/15/19/997431519.db2.gz	PJTFBEFCKMBHEB-ZETCQYMHSA-N	-2	3	269.253	0.965	20	10		CCCDHL
O=C([O-])CC1(NC(=O)c2cccc(O)c2[O-])CC1	ZINC000398258837	973094498	/nfs/dbraw/zinc/09/44/98/973094498.db2.gz	BUNDAZPIKOQKRL-UHFFFAOYSA-N	-2	3	251.238	0.835	20	10		CCCDHL
O=C([O-])c1c[nH]nc1NC(=O)c1cccc(O)c1[O-]	ZINC001606460624	973916410	/nfs/dbraw/zinc/91/64/10/973916410.db2.gz	RVDJSIBIWOWOIZ-UHFFFAOYSA-N	-2	3	263.209	0.771	20	10		CCCDHL
O=C([O-])[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1	ZINC000300436967	598211212	/nfs/dbraw/zinc/21/12/12/598211212.db2.gz	QXLWZMZQRVFCRC-LLVKDONJSA-N	-2	3	255.245	0.817	20	10		CCCDHL
CCOC(=O)CS(=O)(=O)[N-]c1ccc([O-])cc1F	ZINC000085203922	846326398	/nfs/dbraw/zinc/32/63/98/846326398.db2.gz	PBUPUGDORBLFPR-UHFFFAOYSA-N	-2	3	277.273	0.836	20	10		CCCDHL
CCO[N-]C(=O)CNC(=O)NCc1c([O-])cccc1F	ZINC000923080034	615364270	/nfs/dbraw/zinc/36/42/70/615364270.db2.gz	WFACHPFSEAWXGZ-UHFFFAOYSA-N	-2	3	285.275	0.398	20	10		CCCDHL
O=C(C[N-]S(=O)(=O)C(F)F)c1ccc([O-])c(O)c1	ZINC001259961615	808825194	/nfs/dbraw/zinc/82/51/94/808825194.db2.gz	NLYKJHVMLORZPK-UHFFFAOYSA-N	-2	3	281.236	0.423	20	10		CCCDHL
CC1(C(=O)[O-])CN(C(=O)c2cccc(O)c2[O-])C1	ZINC000399340020	973216597	/nfs/dbraw/zinc/21/65/97/973216597.db2.gz	GYKWMXSWJHZVFE-UHFFFAOYSA-N	-2	3	251.238	0.645	20	10		CCCDHL
O=C1[N-]C(=O)N2CCN(Cc3c([O-])cccc3Cl)C[C@H]12	ZINC000779433133	581185336	/nfs/dbraw/zinc/18/53/36/581185336.db2.gz	QKIUGUPQUSDOAJ-SNVBAGLBSA-N	-2	3	295.726	0.782	20	10		CCCDHL
CS(C)(=O)=NS(=O)(=O)[N-]Cc1c([O-])cccc1F	ZINC000921452193	617198352	/nfs/dbraw/zinc/19/83/52/617198352.db2.gz	HBDVVHQNQLNMKC-UHFFFAOYSA-N	-2	3	296.345	0.593	20	10		CCCDHL
COC[C@]1(C(=O)[O-])CN(Cc2cccc(F)c2[O-])CCO1	ZINC001593984599	956752483	/nfs/dbraw/zinc/75/24/83/956752483.db2.gz	ROROSSIBMXTLMH-AWEZNQCLSA-N	-2	3	299.298	0.833	20	10		CCCDHL
C[C@H](CN(C)C(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126012043	958576938	/nfs/dbraw/zinc/57/69/38/958576938.db2.gz	LHXIMPLPWQTSKW-SSDOTTSWSA-N	-2	3	253.254	0.891	20	10		CCCDHL
CN(CC(=O)NCCC(=O)[O-])Cc1ccccc1[O-]	ZINC000737393563	581951566	/nfs/dbraw/zinc/95/15/66/581951566.db2.gz	CDVQUBFAFHLVCL-UHFFFAOYSA-N	-2	3	266.297	0.415	20	10		CCCDHL
O=C([O-])[C@H]1CCCN1C(=O)c1cccc(O)c1[O-]	ZINC000125983285	958575336	/nfs/dbraw/zinc/57/53/36/958575336.db2.gz	SZIXXBPCHUOKDH-MRVPVSSYSA-N	-2	3	251.238	0.787	20	10		CCCDHL
C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1[O-]	ZINC000736208431	581715939	/nfs/dbraw/zinc/71/59/39/581715939.db2.gz	NRBWVHBHSNWCNC-VIFPVBQESA-N	-2	3	266.297	0.413	20	10		CCCDHL
O=C1[N-]C(=S)SC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823541075	599379049	/nfs/dbraw/zinc/37/90/49/599379049.db2.gz	LZHXMSGZUPHUTG-ZZXKWVIFSA-N	-2	3	279.306	0.949	20	10		CCCDHL
O=C1[N-]C(=S)SC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823541075	599379052	/nfs/dbraw/zinc/37/90/52/599379052.db2.gz	LZHXMSGZUPHUTG-ZZXKWVIFSA-N	-2	3	279.306	0.949	20	10		CCCDHL
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1[O-]	ZINC001589271230	985970349	/nfs/dbraw/zinc/97/03/49/985970349.db2.gz	TWCWBBCLEGKWHQ-CMPLNLGQSA-N	-2	3	297.282	0.754	20	10		CCCDHL
COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC000775287534	582017460	/nfs/dbraw/zinc/01/74/60/582017460.db2.gz	ORKDUBXCBPKRPP-UHFFFAOYSA-N	-2	3	297.292	0.703	20	10		CCCDHL
O=C([O-])Cn1cc(CCOC(=O)c2cc([O-])cs2)nn1	ZINC000833268878	604839061	/nfs/dbraw/zinc/83/90/61/604839061.db2.gz	BEZUPCKMOCHUFB-UHFFFAOYSA-N	-2	3	297.292	0.529	20	10		CCCDHL
Nc1c2c(=O)nccc-2[n-]n1C(=O)c1cccc(O)c1[O-]	ZINC001148224626	840766033	/nfs/dbraw/zinc/76/60/33/840766033.db2.gz	RDKUCJFKYSFINP-UHFFFAOYSA-N	-2	3	286.247	0.358	20	10		CCCDHL
C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cccc(O)c1[O-]	ZINC001592206620	977244372	/nfs/dbraw/zinc/24/43/72/977244372.db2.gz	UWBNVTVKIXTQJO-RBSILHGTSA-N	-2	3	251.238	0.857	20	10		CCCDHL
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1[O-]	ZINC001589271231	985970388	/nfs/dbraw/zinc/97/03/88/985970388.db2.gz	TWCWBBCLEGKWHQ-JQWIXIFHSA-N	-2	3	297.282	0.754	20	10		CCCDHL
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1[O-]	ZINC001589271232	985970444	/nfs/dbraw/zinc/97/04/44/985970444.db2.gz	TWCWBBCLEGKWHQ-ZYHUDNBSSA-N	-2	3	297.282	0.754	20	10		CCCDHL
Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)c([O-])c1O	ZINC000280066029	526173283	/nfs/dbraw/zinc/17/32/83/526173283.db2.gz	IZUJKZLUBMHHMD-UHFFFAOYSA-N	-2	3	279.252	0.055	20	10		CCCDHL
O=C([O-])Cn1ccc(NC(=O)c2cc([O-])cs2)n1	ZINC000739919021	581634971	/nfs/dbraw/zinc/63/49/71/581634971.db2.gz	FEFNOWUJMJAIEP-UHFFFAOYSA-N	-2	3	267.266	0.987	20	10		CCCDHL
O=C(C[N-]C(=O)C(F)(F)F)c1ccc([O-])c(O)c1	ZINC001142767760	800156164	/nfs/dbraw/zinc/15/61/64/800156164.db2.gz	ANSUHFPUSONKDL-UHFFFAOYSA-N	-2	3	263.171	0.959	20	10		CCCDHL
O=C1[N-]C(=S)SC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823541070	599378753	/nfs/dbraw/zinc/37/87/53/599378753.db2.gz	LZHXMSGZUPHUTG-UTCJRWHESA-N	-2	3	279.306	0.949	20	10		CCCDHL
O=C1[N-]C(=S)SC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823541070	599378756	/nfs/dbraw/zinc/37/87/56/599378756.db2.gz	LZHXMSGZUPHUTG-UTCJRWHESA-N	-2	3	279.306	0.949	20	10		CCCDHL
C[C@@H](CN(C)C(=O)c1cccc(O)c1[O-])C(=O)[O-]	ZINC000126011784	958576879	/nfs/dbraw/zinc/57/68/79/958576879.db2.gz	LHXIMPLPWQTSKW-ZETCQYMHSA-N	-2	3	253.254	0.891	20	10		CCCDHL