smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1	ZINC001158814808	1072166324	/nfs/dbraw/zinc/16/63/24/1072166324.db2.gz	QJDUASYIWXCNAO-LJISPDSOSA-N	-1	2	400.443	-1.356	20	0		HAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1	ZINC001158976618	1072168208	/nfs/dbraw/zinc/16/82/08/1072168208.db2.gz	LFIHLGURGSWDIX-HNKHHVNMSA-N	-1	2	414.470	-1.171	20	0		HAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2	ZINC001160018423	1072196252	/nfs/dbraw/zinc/19/62/52/1072196252.db2.gz	OTSWCLZICBBGBO-AWEZNQCLSA-N	-1	2	400.443	-1.115	20	0		HAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1	ZINC001160027213	1072196193	/nfs/dbraw/zinc/19/61/93/1072196193.db2.gz	QFVFHZYCQVAKQQ-ZQDZILKHSA-N	-1	2	400.443	-1.242	20	0		HAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2	ZINC001160399709	1072205692	/nfs/dbraw/zinc/20/56/92/1072205692.db2.gz	UUUFJZUZBMHUHT-LBPRGKRZSA-N	-1	2	401.431	-1.607	20	0		HAADLM
C[C@H]1[C@H](NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2O)C(=O)N1S(=O)(=O)[O-]	ZINC001191046421	1071869114	/nfs/dbraw/zinc/86/91/14/1071869114.db2.gz	SVZWATRIMIQZAK-IGJIYHIXSA-N	-1	2	413.817	-1.175	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H](O)[C@@H]1O	ZINC001193298982	1071875181	/nfs/dbraw/zinc/87/51/81/1071875181.db2.gz	AHDZWIUJLZSWFJ-FHMMKVKMSA-N	-1	2	407.419	-3.288	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)C[C@@H]2CCCO2)[C@@H](O)[C@@H]1O	ZINC001193298983	1071875145	/nfs/dbraw/zinc/87/51/45/1071875145.db2.gz	AHDZWIUJLZSWFJ-KEWAQLPFSA-N	-1	2	407.419	-3.288	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H](O)[C@@H]1O	ZINC001193298984	1071875074	/nfs/dbraw/zinc/87/50/74/1071875074.db2.gz	AHDZWIUJLZSWFJ-SYWHDRQISA-N	-1	2	407.419	-3.288	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)C[C@H]2CCCO2)[C@@H](O)[C@@H]1O	ZINC001193298985	1071875066	/nfs/dbraw/zinc/87/50/66/1071875066.db2.gz	AHDZWIUJLZSWFJ-VRGHXPGPSA-N	-1	2	407.419	-3.288	20	0		HAADLM
CCOC(=O)CS(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001196001125	1071883791	/nfs/dbraw/zinc/88/37/91/1071883791.db2.gz	ULYLILKBMCUPTH-GRUVDUQJSA-N	-1	2	409.391	-3.904	20	0		HAADLM
CCOC(=O)CS(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001196001129	1071884422	/nfs/dbraw/zinc/88/44/22/1071884422.db2.gz	ULYLILKBMCUPTH-QXOHVQIXSA-N	-1	2	409.391	-3.904	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2ccccn2)[C@@H](O)[C@@H]1O	ZINC001197855383	1071889408	/nfs/dbraw/zinc/88/94/08/1071889408.db2.gz	AVGTVNYFPUFLNQ-LZQZFOIKSA-N	-1	2	414.414	-2.872	20	0		HAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2ccccn2)[C@@H](O)[C@@H]1O	ZINC001197855384	1071889494	/nfs/dbraw/zinc/88/94/94/1071889494.db2.gz	AVGTVNYFPUFLNQ-OOCWMUITSA-N	-1	2	414.414	-2.872	20	0		HAADLM
CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC001252635239	1072309484	/nfs/dbraw/zinc/30/94/84/1072309484.db2.gz	MJHBLROBKQENBI-IOSLPCCCSA-N	-1	2	407.301	-1.028	20	0		HAADLM
CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O	ZINC001252643324	1072309631	/nfs/dbraw/zinc/30/96/31/1072309631.db2.gz	MJHBLROBKQENBI-GZCUOZMLSA-N	-1	2	407.301	-1.028	20	0		HAADLM
CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O	ZINC001252643327	1072309442	/nfs/dbraw/zinc/30/94/42/1072309442.db2.gz	MJHBLROBKQENBI-LEIICMHDSA-N	-1	2	407.301	-1.028	20	0		HAADLM
CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12	ZINC001252650155	1072309561	/nfs/dbraw/zinc/30/95/61/1072309561.db2.gz	FMFXTNLVKMZDKE-GZCUOZMLSA-N	-1	2	407.301	-1.028	20	0		HAADLM
CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12	ZINC001252650156	1072310230	/nfs/dbraw/zinc/31/02/30/1072310230.db2.gz	FMFXTNLVKMZDKE-LEIICMHDSA-N	-1	2	407.301	-1.028	20	0		HAADLM
CS(=O)(=O)CS(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001260598406	1072341057	/nfs/dbraw/zinc/34/10/57/1072341057.db2.gz	ZAFVVUVBYZWNKI-FMDGEEDCSA-N	-1	2	415.420	-4.465	20	0		HAADLM
CS(=O)(=O)CS(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001260598407	1072341007	/nfs/dbraw/zinc/34/10/07/1072341007.db2.gz	ZAFVVUVBYZWNKI-PVFLNQBWSA-N	-1	2	415.420	-4.465	20	0		HAADLM