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)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000226857686	464186139	/nfs/dbraw/zinc/18/61/39/464186139.db2.gz	YDOILUKNPVIOAX-UHFFFAOYSA-N	-3	1	335.337	2.192	40	0		EEABML
CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000656624621	471788187	/nfs/dbraw/zinc/78/81/87/471788187.db2.gz	QNJLNNWTLIOKJG-CQSZACIVSA-N	-2	1	345.392	2.471	40	0		EEABML
CN(C)c1ccc(C(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c(O)c1	ZINC000329788156	465433972	/nfs/dbraw/zinc/43/39/72/465433972.db2.gz	SDFHZJPRNSKKDH-UHFFFAOYSA-N	-2	1	329.308	2.086	40	0		EEABML
O=C([O-])[C@@H](Cc1ccccc1)N[C@@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001590377	304094610	/nfs/dbraw/zinc/09/46/10/304094610.db2.gz	JKQYVBBZWUUJSR-HUUCEWRRSA-N	-2	1	335.296	2.148	40	0		EEABML
CCOc1ccc(Cc2c(C)nc(SCC(=O)[O-])[n-]c2=O)cc1	ZINC000012653498	1352316541	/nfs/dbraw/zinc/31/65/41/1352316541.db2.gz	DROXDDDRLJPGFJ-UHFFFAOYSA-N	-2	1	334.397	2.245	40	0		EEABML
O=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21	ZINC000226860432	242117889	/nfs/dbraw/zinc/11/78/89/242117889.db2.gz	OYNPXAXKADOHBY-UHFFFAOYSA-N	-2	1	336.756	2.024	40	0		EEABML
CCOc1nc(OCC)c2nc(C(=O)[O-])c(Br)c-2[n-]1	ZINC000001686194	462585514	/nfs/dbraw/zinc/58/55/14/462585514.db2.gz	JUPIGDGUYQUUFP-UHFFFAOYSA-N	-2	1	330.138	2.216	40	0		EEABML
O=C([O-])[C@H](Cc1ccccc1)N[C@@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001590376	304171943	/nfs/dbraw/zinc/17/19/43/304171943.db2.gz	JKQYVBBZWUUJSR-LSDHHAIUSA-N	-2	1	335.296	2.148	40	0		EEABML
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000013027367	462883867	/nfs/dbraw/zinc/88/38/67/462883867.db2.gz	UXTMJDSSAAVADS-UHFFFAOYSA-N	-2	1	349.364	2.281	40	0		EEABML
O=C([O-])c1cc(NC(=O)CSc2nccc(=O)[n-]2)ccc1Cl	ZINC000408543837	466680512	/nfs/dbraw/zinc/68/05/12/466680512.db2.gz	RRZOQWOPDNLABM-UHFFFAOYSA-N	-2	1	339.760	2.265	40	0		EEABML
CCc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1C(=O)[O-]	ZINC000390835696	467414905	/nfs/dbraw/zinc/41/49/05/467414905.db2.gz	VGGREXPDZBLVRT-UHFFFAOYSA-N	-2	1	346.368	2.019	40	0		EEABML
Cc1ccc(F)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1C(=O)[O-]	ZINC000532025221	317835570	/nfs/dbraw/zinc/83/55/70/317835570.db2.gz	YAHMQQXTKHHUOV-UHFFFAOYSA-N	-2	1	341.364	2.411	40	0		EEABML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000008778956	211006103	/nfs/dbraw/zinc/00/61/03/211006103.db2.gz	RUCJQRBCIZJZSB-UHFFFAOYSA-N	-3	1	335.337	2.192	40	0		EEABML
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1S(=O)(=O)[O-]	ZINC000016951927	462990702	/nfs/dbraw/zinc/99/07/02/462990702.db2.gz	FCCZMXCLWMGLIJ-YWEYNIOJSA-N	-2	1	331.396	2.271	40	0		EEABML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1O	ZINC000326014605	465033652	/nfs/dbraw/zinc/03/36/52/465033652.db2.gz	NCZDKIUXBCCRIZ-UHFFFAOYSA-N	-2	1	344.348	2.439	40	0		EEABML
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000006962288	462714452	/nfs/dbraw/zinc/71/44/52/462714452.db2.gz	SEASXJJQYVHFJM-MDWZMJQESA-N	-2	1	341.392	2.138	40	0		EEABML
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F	ZINC000059857034	463645354	/nfs/dbraw/zinc/64/53/54/463645354.db2.gz	LKGXZFMMRRPVGT-UHFFFAOYSA-N	-2	1	343.307	2.472	40	0		EEABML
COc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-]	ZINC000048382942	600543054	/nfs/dbraw/zinc/54/30/54/600543054.db2.gz	MZRSICQWAZNMAA-UHFFFAOYSA-N	-2	1	347.352	2.071	40	0		EEABML
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000272444520	464610932	/nfs/dbraw/zinc/61/09/32/464610932.db2.gz	UKIPLBIEHIONSI-UHFFFAOYSA-N	-2	1	335.288	2.056	40	0		EEABML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(=O)[O-]	ZINC000226858686	242117529	/nfs/dbraw/zinc/11/75/29/242117529.db2.gz	BREWAGSKWSMDDQ-UHFFFAOYSA-N	-3	1	335.337	2.192	40	0		EEABML
O=C([O-])[C@H](Cc1ccccc1)N[C@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001590378	304171888	/nfs/dbraw/zinc/17/18/88/304171888.db2.gz	JKQYVBBZWUUJSR-GJZGRUSLSA-N	-2	1	335.296	2.148	40	0		EEABML
Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc2n[nH]cc21	ZINC000346473944	161375323	/nfs/dbraw/zinc/37/53/23/161375323.db2.gz	GWCJRWJHDWCYML-UHFFFAOYSA-N	-2	1	345.380	2.299	40	0		EEABML
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=S)[N-]C2=O)o1	ZINC000408960883	466684389	/nfs/dbraw/zinc/68/43/89/466684389.db2.gz	PFXCLBNCWAWCEW-KPKJPENVSA-N	-2	1	328.349	2.298	40	0		EEABML
CC(C)C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-]	ZINC000263132380	152384263	/nfs/dbraw/zinc/38/42/63/152384263.db2.gz	HOCDMZOTKCYGSY-LLVKDONJSA-N	-2	1	329.349	2.350	40	0		EEABML
O=C([O-])[C@@H](Cc1ccccc1)N[C@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001590379	304094615	/nfs/dbraw/zinc/09/46/15/304094615.db2.gz	JKQYVBBZWUUJSR-CABCVRRESA-N	-2	1	335.296	2.148	40	0		EEABML
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000350741401	466593838	/nfs/dbraw/zinc/59/38/38/466593838.db2.gz	OTLXESCTBNOOBY-UHFFFAOYSA-N	-2	1	349.290	2.294	40	0		EEABML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21	ZINC000048382947	462904207	/nfs/dbraw/zinc/90/42/07/462904207.db2.gz	OVBOLBFEGSEUBG-UHFFFAOYSA-N	-2	1	331.353	2.370	40	0		EEABML
CC(C)c1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1	ZINC000008732255	462793889	/nfs/dbraw/zinc/79/38/89/462793889.db2.gz	LWSFLYLKKSLESV-UHFFFAOYSA-N	-2	1	347.396	2.322	40	0		EEABML
CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)cc(Br)c1[O-]	ZINC000193339839	240117891	/nfs/dbraw/zinc/11/78/91/240117891.db2.gz	RRCNKWJUKLFTBX-QMMMGPOBSA-N	-2	1	338.223	2.240	40	0		EEABML
O=C([O-])CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000085344783	463645333	/nfs/dbraw/zinc/64/53/33/463645333.db2.gz	CFHICWSLOODMSV-UHFFFAOYSA-N	-2	1	332.592	2.400	40	0		EEABML
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000013348728	462890260	/nfs/dbraw/zinc/89/02/60/462890260.db2.gz	KTYKJVFQGZQFMB-UHFFFAOYSA-N	-2	1	349.364	2.281	40	0		EEABML
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1C	ZINC000390834428	467415244	/nfs/dbraw/zinc/41/52/44/467415244.db2.gz	YRKCISSMAADAQQ-UHFFFAOYSA-N	-2	1	348.380	2.452	40	0		EEABML
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000656624620	471788603	/nfs/dbraw/zinc/78/86/03/471788603.db2.gz	QNJLNNWTLIOKJG-AWEZNQCLSA-N	-2	1	345.392	2.471	40	0		EEABML
CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)cc(Br)c1[O-]	ZINC000193339831	201055106	/nfs/dbraw/zinc/05/51/06/201055106.db2.gz	RRCNKWJUKLFTBX-MRVPVSSYSA-N	-2	1	338.223	2.240	40	0		EEABML
CCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1	ZINC000026456952	463164426	/nfs/dbraw/zinc/16/44/26/463164426.db2.gz	RGXFIQCTBNTBOK-UHFFFAOYSA-N	-2	1	333.369	2.174	40	0		EEABML
COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1	ZINC000047948997	462842196	/nfs/dbraw/zinc/84/21/96/462842196.db2.gz	ZMHAIKDFYNOTPA-UHFFFAOYSA-N	-2	1	337.353	2.203	40	0		EEABML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)ccc1F	ZINC000048382941	462904902	/nfs/dbraw/zinc/90/49/02/462904902.db2.gz	GCOVJFRMLHPTRG-UHFFFAOYSA-N	-2	1	335.316	2.201	40	0		EEABML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000237563045	464340373	/nfs/dbraw/zinc/34/03/73/464340373.db2.gz	CFERGOPTGJUBNS-UHFFFAOYSA-N	-2	1	343.383	2.004	40	0		EEABML
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21	ZINC000226860512	242117595	/nfs/dbraw/zinc/11/75/95/242117595.db2.gz	PBKWSBIKGIECFD-UHFFFAOYSA-N	-2	1	336.756	2.024	40	0		EEABML
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1S(=O)(=O)[O-]	ZINC000033422571	463422193	/nfs/dbraw/zinc/42/21/93/463422193.db2.gz	FCCZMXCLWMGLIJ-XBXARRHUSA-N	-2	1	331.396	2.271	40	0		EEABML
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000006971008	462714885	/nfs/dbraw/zinc/71/48/85/462714885.db2.gz	LKISKZAUAHNTMX-IZZDOVSWSA-N	-2	1	343.726	2.107	40	0		EEABML
CC(=O)Oc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1C(=O)[O-]	ZINC000001670311	462585697	/nfs/dbraw/zinc/58/56/97/462585697.db2.gz	UVJGXBMYXPLGQQ-UHFFFAOYSA-N	-2	1	349.364	2.419	40	0		EEABML
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000190874104	464736762	/nfs/dbraw/zinc/73/67/62/464736762.db2.gz	ZPLTUEIHINKOCC-UHFFFAOYSA-N	-2	1	329.356	2.326	40	0		EEABML
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1)OCO2	ZINC000358887991	164008830	/nfs/dbraw/zinc/00/88/30/164008830.db2.gz	PWUKELTUKGLTSN-UHFFFAOYSA-N	-2	1	349.364	2.152	40	0		EEABML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1	ZINC000000258709	278203337	/nfs/dbraw/zinc/20/33/37/278203337.db2.gz	COQCMLDCNHTZBL-UHFFFAOYSA-N	-2	1	348.380	2.452	40	0		EEABML
COCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000351826368	465384423	/nfs/dbraw/zinc/38/44/23/465384423.db2.gz	GJIWKGUFBCHYFX-UHFFFAOYSA-N	-2	1	339.344	2.471	40	0		EEABML
O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000292587559	464281637	/nfs/dbraw/zinc/28/16/37/464281637.db2.gz	ZVVVWIXVXFDSEZ-KOLCDFICSA-N	-2	1	333.356	2.277	40	0		EEABML
Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1C(=O)[O-]	ZINC000048382950	462904696	/nfs/dbraw/zinc/90/46/96/462904696.db2.gz	YQIBRBDJDXTWOI-UHFFFAOYSA-N	-2	1	331.353	2.370	40	0		EEABML