smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc(O)c(O)c(C(=O)[O-])c1	90598152	537943276	/nfs/dbraw/zinc/94/32/76/537943276.db2.gz	GIGDAMOOQZMWMC-UHFFFAOYSA-N	-1	0	169.136	0.378	50	10		ACCARM
Nc1ccc(OCc2nnn[n-]2)cc1	42191816	1423247399	/nfs/dbraw/zinc/24/73/99/1423247399.db2.gz	YAVHXIHLIWRSMC-UHFFFAOYSA-N	-1	0	191.194	0.361	50	10	in-vitro	ACCARM
Nc1ccc(Oc2nnn[n-]2)cc1	19090679	1423615709	/nfs/dbraw/zinc/61/57/09/1423615709.db2.gz	KYRUSFOAGBAPGT-UHFFFAOYSA-N	-1	0	177.167	0.574	50	10	in-vitro	ACCARM
Nc1ccc(Cc2nnn[n-]2)cc1	6658049	1423951858	/nfs/dbraw/zinc/95/18/58/1423951858.db2.gz	RBOMWIFRDXGSMQ-UHFFFAOYSA-N	-1	0	175.195	0.373	50	10	in-vitro	ACCARM
Nc1ccc(CCc2nnn[n-]2)cc1	34929301	1423962112	/nfs/dbraw/zinc/96/21/12/1423962112.db2.gz	NXOSUZPCYSKYRI-UHFFFAOYSA-N	-1	0	189.222	0.567	50	10		ACCARM
Oc1ccc(-c2nnn[n-]2)cc1O	12428582	1423998008	/nfs/dbraw/zinc/99/80/08/1423998008.db2.gz	FBLZQXCQTHIPBP-UHFFFAOYSA-N	-1	0	178.151	0.278	50	10		ACCARM
Oc1cccc(-c2nnn[n-]2)c1O	14988486	1424607306	/nfs/dbraw/zinc/60/73/06/1424607306.db2.gz	PWSAAUPSVDHUCC-UHFFFAOYSA-N	-1	0	178.151	0.278	50	10		ACCARM
O=Cc1cc(O)c([O-])c(O)c1	1564659	560182278	/nfs/dbraw/zinc/18/22/78/560182278.db2.gz	RGZHEOWNTDJLAQ-UHFFFAOYSA-N	-1	0	154.121	0.616	50	10	in-vitro	ACCARM
CC(=O)N1CCC(=S)[C@H]1C(=O)[O-]	54965182	166258871	/nfs/dbraw/zinc/25/88/71/166258871.db2.gz	LQGMTZRGCYNRAU-LURJTMIESA-N	-1	0	187.220	0.062	50	10		ACCARM
COc1cc(C(=O)[O-])cc(O)c1O	895819	168229450	/nfs/dbraw/zinc/22/94/50/168229450.db2.gz	KWCCUYSXAYTNKA-UHFFFAOYSA-N	-1	0	184.147	0.805	50	10	biogenic,in-vitro	ACCARM
Cc1ccc(-n2[n-]c(=O)cc2O)cc1	5541406	168824125	/nfs/dbraw/zinc/82/41/25/168824125.db2.gz	XPZNMTRTUAVNQW-UHFFFAOYSA-N	-1	0	190.202	0.763	50	10		ACCARM
NCC(=O)c1ccc(O)c(O)c1	37629258	169177304	/nfs/dbraw/zinc/17/73/04/169177304.db2.gz	CNFQARFTXUBHJY-UHFFFAOYSA-N	-1	0	167.164	0.239	50	10		ACCARM
Nc1ccc(-n2nn[n-]c2=S)cc1	6257545	169290597	/nfs/dbraw/zinc/29/05/97/169290597.db2.gz	YIRRAGHBDDIANU-UHFFFAOYSA-N	-1	0	193.235	0.533	50	10		ACCARM
Nc1ccc(C[P@@](=O)([O-])O)cc1	1871203	169291217	/nfs/dbraw/zinc/29/12/17/169291217.db2.gz	NEKHKXMBGWNTOO-UHFFFAOYSA-N	-1	0	187.135	0.947	50	10		ACCARM
Nc1ccc(CC(=O)[O-])cc1	153120	169291538	/nfs/dbraw/zinc/29/15/38/169291538.db2.gz	CSEWAUGPAQPMDC-UHFFFAOYSA-N	-1	0	151.165	0.896	50	10	biogenic,in-vitro	ACCARM
Nc1ccc(CC(=O)C(=O)[O-])cc1	1679324	169291845	/nfs/dbraw/zinc/29/18/45/169291845.db2.gz	HWDZIRSKXFAMFU-UHFFFAOYSA-N	-1	0	179.175	0.465	50	10		ACCARM
Nc1ccc(OCC(=O)[O-])cc1	52866	169292258	/nfs/dbraw/zinc/29/22/58/169292258.db2.gz	GIFGMEWQGDEWKB-UHFFFAOYSA-N	-1	0	167.164	0.732	50	10	in-vitro	ACCARM
Nc1ccc(OS(=O)(=O)[O-])cc1	2526427	169292308	/nfs/dbraw/zinc/29/23/08/169292308.db2.gz	DJEGXIBXYHERSU-UHFFFAOYSA-N	-1	0	189.192	0.450	50	10	in-vitro	ACCARM
Nc1ccc(NC(=O)C(=O)[O-])cc1	1669683	169292678	/nfs/dbraw/zinc/29/26/78/169292678.db2.gz	HVAINFDIRWAPQM-UHFFFAOYSA-N	-1	0	180.163	0.292	50	10	in-vitro	ACCARM
Nc1ccc(S(=O)(=O)[O-])cc1O	43828246	169293870	/nfs/dbraw/zinc/29/38/70/169293870.db2.gz	HCEYSAVOFADVMD-UHFFFAOYSA-N	-1	0	189.192	0.221	50	10		ACCARM
O=C([O-])/C=C/c1ccc(O)c(O)c1O	2504935	169334165	/nfs/dbraw/zinc/33/41/65/169334165.db2.gz	RHGWNBSOWGUGPA-DUXPYHPUSA-N	-1	0	196.158	0.901	50	10		ACCARM
O=C([O-])C1C(=O)c2ccccc2C1=O	39336571	169336920	/nfs/dbraw/zinc/33/69/20/169336920.db2.gz	MGBORDODZOQCPI-UHFFFAOYSA-N	-1	0	190.154	0.766	50	10		ACCARM
O=C([O-])COc1cccc(O)c1O	13509913	169342011	/nfs/dbraw/zinc/34/20/11/169342011.db2.gz	WXFBYQUBHSGBGX-UHFFFAOYSA-N	-1	0	184.147	0.561	50	10		ACCARM
O=C([O-])Cc1cccc(O)c1O	39235073	169344448	/nfs/dbraw/zinc/34/44/48/169344448.db2.gz	KEQGFEVKJCGTKB-UHFFFAOYSA-N	-1	0	168.148	0.725	50	10	in-vitro	ACCARM
O=C([O-])[C@@H](O)c1ccc(O)c(O)c1	388310	169346051	/nfs/dbraw/zinc/34/60/51/169346051.db2.gz	RGHMISIYKIHAJW-ZETCQYMHSA-N	-1	0	184.147	0.216	50	10	endogenous,in-man	ACCARM
O=C([O-])[C@@H](O)Cc1ccc(O)c(O)c1	895534	169346170	/nfs/dbraw/zinc/34/61/70/169346170.db2.gz	PAFLSMZLRSPALU-QMMMGPOBSA-N	-1	0	198.174	0.086	50	10	endogenous,in-man	ACCARM
O=C([O-])[C@H](O)Cc1ccc(O)c(O)c1	895535	169350995	/nfs/dbraw/zinc/35/09/95/169350995.db2.gz	PAFLSMZLRSPALU-MRVPVSSYSA-N	-1	0	198.174	0.086	50	10	endogenous,in-man	ACCARM
O=C([O-])[C@H](O)c1ccc(O)c(O)c1	388311	169351320	/nfs/dbraw/zinc/35/13/20/169351320.db2.gz	RGHMISIYKIHAJW-SSDOTTSWSA-N	-1	0	184.147	0.216	50	10	endogenous,in-man	ACCARM
O=C([O-])c1c(F)ccc(O)c1O	90685655	169355485	/nfs/dbraw/zinc/35/54/85/169355485.db2.gz	LDVNZXZKWHFOMJ-UHFFFAOYSA-N	-1	0	172.111	0.935	50	10	in-vitro	ACCARM
O=C([O-])c1cc(O)c(O)cc1O	1641166	169356676	/nfs/dbraw/zinc/35/66/76/169356676.db2.gz	GPDXFYPVHRESMA-UHFFFAOYSA-N	-1	0	170.120	0.502	50	10		ACCARM
O=C([O-])c1cc(O)c(O)c(O)c1	1504	169356886	/nfs/dbraw/zinc/35/68/86/169356886.db2.gz	LNTHITQWFMADLM-UHFFFAOYSA-N	-1	0	170.120	0.502	50	10	metabolite,world	ACCARM
O=C([O-])c1ccc(O)c(O)c1	13246	169358359	/nfs/dbraw/zinc/35/83/59/169358359.db2.gz	YQUVCSBJEUQKSH-UHFFFAOYSA-N	-1	0	154.121	0.796	50	10	endogenous,in-man	ACCARM
O=C([O-])c1ccc(O)c(O)c1O	391975	169358409	/nfs/dbraw/zinc/35/84/09/169358409.db2.gz	BRRSNXCXLSVPFC-UHFFFAOYSA-N	-1	0	170.120	0.502	50	10	biogenic,in-man	ACCARM
O=C([O-])c1cccc(O)c1O	388166	169358808	/nfs/dbraw/zinc/35/88/08/169358808.db2.gz	GLDQAMYCGOIJDV-UHFFFAOYSA-N	-1	0	154.121	0.796	50	10	endogenous,in-man	ACCARM
[O-]c1c(O)ccc2c(O)coc12	1670007	169379236	/nfs/dbraw/zinc/37/92/36/169379236.db2.gz	ZDHCVQNIRWDINX-UHFFFAOYSA-N	-1	0	166.132	0.673	50	10	biogenic	ACCARM
O=S(=O)([O-])c1ccc(O)c(O)c1	1530527	169411900	/nfs/dbraw/zinc/41/19/00/169411900.db2.gz	LTPDITOEDOAWRU-UHFFFAOYSA-N	-1	0	190.176	0.345	50	10	in-vitro	ACCARM
O=c1cc(O)n(-c2ccc(F)cc2)[n-]1	3656366	171009646	/nfs/dbraw/zinc/00/96/46/171009646.db2.gz	QICFTQDTMGQDER-UHFFFAOYSA-N	-1	0	194.165	0.594	50	10		ACCARM
NC(=O)c1sccc1[O-]	11848541	171023545	/nfs/dbraw/zinc/02/35/45/171023545.db2.gz	RVURYQBOSVZXOT-UHFFFAOYSA-N	-1	0	143.167	0.553	50	10	in-vitro	ACCARM
Nc1ccc(N2CC(C(=O)[O-])C2)cc1	90693616	171134556	/nfs/dbraw/zinc/13/45/56/171134556.db2.gz	JARYMOYIHDKMCS-UHFFFAOYSA-N	-1	0	192.218	0.790	50	10	in-vitro	ACCARM
O=C([O-])C(=O)Cc1ccc(O)c(O)c1	1529835	171197123	/nfs/dbraw/zinc/19/71/23/171197123.db2.gz	LQQFFJFGLSKYIR-UHFFFAOYSA-N	-1	0	196.158	0.294	50	10	in-vitro	ACCARM
O=C([O-])Cc1ccc(O)c(O)c1	388555	342936050	/nfs/dbraw/zinc/93/60/50/342936050.db2.gz	CFFZDZCDUFSOFZ-UHFFFAOYSA-N	-1	0	168.148	0.725	50	10	endogenous,in-man	ACCARM
CC1(C)[C@@H]2CC[C@@]1(C(=O)[O-])C(=O)C2=O	4137019	342987383	/nfs/dbraw/zinc/98/73/83/342987383.db2.gz	IUDWGHRBQRGLDJ-FWOIEVBISA-N	-1	0	196.202	0.645	50	10		ACCARM
CC1(C)[C@H]2CC[C@]1(C(=O)[O-])C(=O)C2=O	4137018	342987652	/nfs/dbraw/zinc/98/76/52/342987652.db2.gz	IUDWGHRBQRGLDJ-XUOSJQGZSA-N	-1	0	196.202	0.645	50	10		ACCARM
Cc1cccc(-n2[n-]c(=O)cc2O)c1	6302378	343013489	/nfs/dbraw/zinc/01/34/89/343013489.db2.gz	MYXGIWRDAZVKLC-UHFFFAOYSA-N	-1	0	190.202	0.763	50	10		ACCARM
Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	100060992	343710166	/nfs/dbraw/zinc/71/01/66/343710166.db2.gz	BKWFHANLTXQVMR-UHFFFAOYSA-N	-1	0	193.162	0.442	50	10		ACCARM
O=Cc1cc(O)c([O-])c([N+](=O)[O-])c1	2779	351268177	/nfs/dbraw/zinc/26/81/77/351268177.db2.gz	BBFJODMCHICIAA-UHFFFAOYSA-N	-1	0	183.119	0.819	50	10	in-vitro	ACCARM
O=c1[nH]c([O-])cc2cc(O)nc(O)c12	8762149	351358720	/nfs/dbraw/zinc/35/87/20/351358720.db2.gz	PEHAPVAHJLCRSR-UHFFFAOYSA-N	-1	0	194.146	0.452	50	10	biogenic	ACCARM
O=Cc1cc(O)c([O-])c(C=O)c1	13481372	351368439	/nfs/dbraw/zinc/36/84/39/351368439.db2.gz	YZJVWIUMDDXVEA-UHFFFAOYSA-N	-1	0	166.132	0.723	50	10		ACCARM
O=Cc1cc([N+](=O)[O-])cc(O)c1[O-]	13730971	351370988	/nfs/dbraw/zinc/37/09/88/351370988.db2.gz	SCSROOBIOOCHHI-UHFFFAOYSA-N	-1	0	183.119	0.819	50	10		ACCARM
O=Cc1ccc([O-])c(O)c1[N+](=O)[O-]	13730965	351371190	/nfs/dbraw/zinc/37/11/90/351371190.db2.gz	UICJHWULOYPREF-UHFFFAOYSA-N	-1	0	183.119	0.819	50	10	in-vitro	ACCARM
Nc1ccc(NC(=O)CC(=O)[O-])cc1	141578154	351745712	/nfs/dbraw/zinc/74/57/12/351745712.db2.gz	YVMQVUHWEPHUGM-UHFFFAOYSA-N	-1	0	194.190	0.682	50	10	in-vitro	ACCARM