smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(Cl)=C/Cn1c(N=Nc2c([O-])[nH]c(=O)[nH]c2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000002520865	557719711	/nfs/dbraw/zinc/71/97/11/557719711.db2.gz	JZESAVGXTSIWCB-XQRVVYSFSA-N	-1	0	422.789	-1.290	40	30		HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004095807	291160772	/nfs/dbraw/zinc/16/07/72/291160772.db2.gz	QQGLQYQXUKHWPX-BXLHIMNRSA-N	-1	0	409.438	-1.105	40	30	biogenic,in-vitro	HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742765	557672390	/nfs/dbraw/zinc/67/23/90/557672390.db2.gz	QQGLQYQXUKHWPX-BXMRNYJCSA-N	-1	0	409.438	-1.105	40	30	in-man	HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742766	557672360	/nfs/dbraw/zinc/67/23/60/557672360.db2.gz	QQGLQYQXUKHWPX-YZJKANOSSA-N	-1	0	409.438	-1.105	40	30	in-man	HAEBRM
O=C1[N-]C(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000005823006	557676471	/nfs/dbraw/zinc/67/64/71/557676471.db2.gz	NOQUXNGPYJBCQT-CRFOPFCFSA-N	-1	0	414.396	-2.794	40	30		HAEBRM
O=C1[N-]C(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000016958905	558810434	/nfs/dbraw/zinc/81/04/34/558810434.db2.gz	NOQUXNGPYJBCQT-JRPMOLIRSA-N	-1	0	414.396	-2.794	40	30		HAEBRM
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(OCC(N)=O)CS[C@@H]12)c1ccco1	ZINC000021986199	522737758	/nfs/dbraw/zinc/73/77/58/522737758.db2.gz	CLYVKQQKAYTLSV-ZCGJJJPHSA-N	-1	0	424.391	-1.172	40	30		HAEBRM
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(OCC(N)=O)CS[C@@H]12)c1ccco1	ZINC000021986200	522736237	/nfs/dbraw/zinc/73/62/37/522736237.db2.gz	CLYVKQQKAYTLSV-ZEAZHKLLSA-N	-1	0	424.391	-1.172	40	30		HAEBRM
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(OCC(N)=O)CS[C@H]12)c1ccco1	ZINC000021986202	522737918	/nfs/dbraw/zinc/73/79/18/522737918.db2.gz	CLYVKQQKAYTLSV-OKUSHXHXSA-N	-1	0	424.391	-1.172	40	30		HAEBRM
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(OCC(N)=O)CS[C@H]12)c1ccco1	ZINC000021986204	522738220	/nfs/dbraw/zinc/73/82/20/522738220.db2.gz	CLYVKQQKAYTLSV-JEXISXOFSA-N	-1	0	424.391	-1.172	40	30		HAEBRM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CO)CS[C@H]12)c1csc(N)n1	ZINC000026249456	522736873	/nfs/dbraw/zinc/73/68/73/522736873.db2.gz	FHYWAOQGXIZAAF-GHXIOONMSA-N	-1	0	413.437	-1.193	40	30	endogenous,world	HAEBRM
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000031157290	519302574	/nfs/dbraw/zinc/30/25/74/519302574.db2.gz	MQLSOVRLZHTATK-PEYNGXJCSA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000031160597	519295919	/nfs/dbraw/zinc/29/59/19/519295919.db2.gz	MQLSOVRLZHTATK-RWBYJOKASA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000031160601	519295484	/nfs/dbraw/zinc/29/54/84/519295484.db2.gz	MQLSOVRLZHTATK-BRBTUJBASA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
C=C[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]	ZINC000031160605	519303289	/nfs/dbraw/zinc/30/32/89/519303289.db2.gz	MQLSOVRLZHTATK-WOAIEISOSA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
O=C1[N-]C(=O)/C(=C\c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000031871303	527045974	/nfs/dbraw/zinc/04/59/74/527045974.db2.gz	NOQUXNGPYJBCQT-SUVDIHDUSA-N	-1	0	414.396	-2.794	40	30		HAEBRM
O=C1[N-]C(=O)/C(=C\c2ccc(S(=O)(=O)N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)cc2)N1	ZINC000031871305	527046691	/nfs/dbraw/zinc/04/66/91/527046691.db2.gz	NOQUXNGPYJBCQT-SLKRICTHSA-N	-1	0	414.396	-2.794	40	30		HAEBRM
C=C[C@H]1[C@@H](CC(=O)[O-])C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000044681098	519302342	/nfs/dbraw/zinc/30/23/42/519302342.db2.gz	MQLSOVRLZHTATK-GMNMTUJISA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
O=S(=O)([O-])O/N=C(/Cc1ccccc1)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000062240144	558948532	/nfs/dbraw/zinc/94/85/32/558948532.db2.gz	QQGLQYQXUKHWPX-FZMDVQOISA-N	-1	0	409.438	-1.105	40	30		HAEBRM
O=S(=O)([O-])O/N=C(/Cc1ccccc1)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000062240149	558948750	/nfs/dbraw/zinc/94/87/50/558948750.db2.gz	QQGLQYQXUKHWPX-IRGFYHQNSA-N	-1	0	409.438	-1.105	40	30		HAEBRM
C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)[O-]	ZINC000105154295	560868359	/nfs/dbraw/zinc/86/83/59/560868359.db2.gz	MQLSOVRLZHTATK-FUDVGBITSA-N	-1	0	404.368	-1.891	40	30	biogenic,in-vitro	HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000110424093	560878779	/nfs/dbraw/zinc/87/87/79/560878779.db2.gz	QQGLQYQXUKHWPX-WZIXNSLKSA-N	-1	0	409.438	-1.105	40	30	endogenous,in-man	HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000110424097	527260704	/nfs/dbraw/zinc/26/07/04/527260704.db2.gz	QQGLQYQXUKHWPX-GIXDWBGYSA-N	-1	0	409.438	-1.105	40	30	endogenous,in-man	HAEBRM
CCCCCCCNC(=O)[C@H](O)[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000230027980	569383739	/nfs/dbraw/zinc/38/37/39/569383739.db2.gz	DMXGKTWTDFFUGU-WKIHFJMMSA-N	-1	0	403.407	-1.258	40	30		HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000257524662	527261479	/nfs/dbraw/zinc/26/14/79/527261479.db2.gz	QQGLQYQXUKHWPX-FGRWCMGDSA-N	-1	0	409.438	-1.105	40	30	endogenous,in-man	HAEBRM
O=S(=O)([O-])O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000257524663	560041859	/nfs/dbraw/zinc/04/18/59/560041859.db2.gz	QQGLQYQXUKHWPX-QEKIFNHNSA-N	-1	0	409.438	-1.105	40	30	endogenous,in-man	HAEBRM