smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1csc(NC(=O)[C@H]2C=CN(c3ccccc3)c3ccccc32)n1)N[O-]	ZINC000101023242	581101432	/nfs/dbraw/zinc/10/14/32/581101432.db2.gz	IZGDUNLRMAOQTD-KRWDZBQOSA-N	-1	3	406.467	3.579	1	30		HHEFHM
CO[C@]12C=C3C(=O)c4c([O-])cccc4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O	ZINC000013404648	291252056	/nfs/dbraw/zinc/25/20/56/291252056.db2.gz	XWFNYKWKDWAAMZ-BMZZKGLRSA-N	-1	3	410.466	3.524	1	30	biogenic,in-vitro	HHEFHM
COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1[O-]	ZINC000095912729	291252536	/nfs/dbraw/zinc/25/25/36/291252536.db2.gz	AAMGTTAZIKVMCG-NKRSRWBGSA-N	-1	3	402.487	3.649	1	30	biogenic,in-vitro	HHEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2C	ZINC000085594144	291256854	/nfs/dbraw/zinc/25/68/54/291256854.db2.gz	AVCZZNYPXNMWHX-NODARDGRSA-N	-1	3	414.454	3.705	1	30	biogenic,in-vitro	HHEFHM
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@@H](C)C(=O)N[O-])cc2)cc1	ZINC000045288161	581097349	/nfs/dbraw/zinc/09/73/49/581097349.db2.gz	ZCRWOWSOWBMWGI-OAHLLOKOSA-N	-1	3	411.479	3.804	1	30		HHEFHM
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@H](C)C(=O)N[O-])cc2)cc1	ZINC000045288159	581097398	/nfs/dbraw/zinc/09/73/98/581097398.db2.gz	ZCRWOWSOWBMWGI-HNNXBMFYSA-N	-1	3	411.479	3.804	1	30		HHEFHM
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2Cc2ccccc2)c1)N[O-]	ZINC000029069696	581101937	/nfs/dbraw/zinc/10/19/37/581101937.db2.gz	UQIMEFHEVVKGJC-UHFFFAOYSA-N	-1	3	421.501	3.778	1	30		HHEFHM
CN(C)c1nc(N=NCc2cc(Cl)ccc2[O-])nc(Nc2ccc(F)cc2)n1	ZINC000030293513	522331077	/nfs/dbraw/zinc/33/10/77/522331077.db2.gz	IJHKUTVJYYIJQT-FBHDLOMBSA-N	-1	3	401.833	3.625	1	30		HHEFHM
O=C(CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)N[O-]	ZINC000013490067	581101941	/nfs/dbraw/zinc/10/19/41/581101941.db2.gz	PEAKIUYOKNPLLJ-UHFFFAOYSA-N	-1	3	409.486	3.933	1	30		HHEFHM
O=C(CCCCCCC(=O)Nc1ccc(-c2cnnn2-c2ccccc2)cc1)N[O-]	ZINC000029069681	581101989	/nfs/dbraw/zinc/10/19/89/581101989.db2.gz	OSBJPHXXKNVNGT-UHFFFAOYSA-N	-1	3	407.474	3.719	1	30		HHEFHM
O=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)N[O-]	ZINC000049037420	581101982	/nfs/dbraw/zinc/10/19/82/581101982.db2.gz	LZQLHQNNAVPNSB-UHFFFAOYSA-N	-1	3	411.502	3.537	1	30		HHEFHM
CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N[O-])cc1	ZINC000029038030	581091855	/nfs/dbraw/zinc/09/18/55/581091855.db2.gz	XNUPVUIWOKTWNU-RBUKOAKNSA-N	-1	3	420.513	3.612	1	30		HHEFHM
COc1cc(C(=O)O[C@@H]2C[C@@]3(C)O[C@H]3C[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1[O-]	ZINC000095919328	291252556	/nfs/dbraw/zinc/25/25/56/291252556.db2.gz	LUXHNMNHDPKHBY-LIWUTXLXSA-N	-1	3	404.503	3.681	1	30	biogenic,in-vitro	HHEFHM
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)N[O-]	ZINC000029069630	581101939	/nfs/dbraw/zinc/10/19/39/581101939.db2.gz	QWAGLXWBHCFGBD-UHFFFAOYSA-N	-1	3	421.501	3.778	1	30		HHEFHM
O=C(Cc1csc(NC(=O)[C@@H]2C=CN(c3ccccc3)c3ccccc32)n1)N[O-]	ZINC000101023244	581101304	/nfs/dbraw/zinc/10/13/04/581101304.db2.gz	IZGDUNLRMAOQTD-QGZVFWFLSA-N	-1	3	406.467	3.579	1	30		HHEFHM