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([O-])c1ccc2nc(/C=C/c3ccc([O-])c(Br)c3)oc2c1	ZINC000328600098	1091796248	/nfs/dbraw/zinc/79/62/48/1091796248.db2.gz	VQLGTSNOEXFHNB-QHHAFSJGSA-N	-2	1	360.163	4.165	50	0		FIAAML
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1C	ZINC000003635574	204109321	/nfs/dbraw/zinc/10/93/21/204109321.db2.gz	JBGBOCOOARBZFX-UHFFFAOYSA-N	-2	1	361.463	4.100	50	0		FIAAML
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C	ZINC000071974095	205457435	/nfs/dbraw/zinc/45/74/35/205457435.db2.gz	UCIOUBMXRNCOGO-UHFFFAOYSA-N	-2	1	367.854	4.271	50	0		FIAAML
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000095470880	568389238	/nfs/dbraw/zinc/38/92/38/568389238.db2.gz	DKZTULROYOFUNS-XNTDXEJSSA-N	-2	1	369.808	4.065	50	0		FIAAML
CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000008106265	204317601	/nfs/dbraw/zinc/31/76/01/204317601.db2.gz	GBBKYMGZHRLTSZ-AWEZNQCLSA-N	-2	1	361.463	4.018	50	0		FIAAML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1	ZINC000012748708	206295121	/nfs/dbraw/zinc/29/51/21/206295121.db2.gz	PTRYUWYDARRYQT-UHFFFAOYSA-N	-2	1	367.426	4.161	50	0		FIAAML
COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc([O-])c3c(=O)c2O)cc1	ZINC000014762797	560097101	/nfs/dbraw/zinc/09/71/01/560097101.db2.gz	TUUXBSASAQJECY-UHFFFAOYSA-N	-2	1	368.385	4.094	50	0	biogenic,investigational	FIAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1	ZINC000000754853	568181467	/nfs/dbraw/zinc/18/14/67/568181467.db2.gz	YTWOZNGJONKVTQ-UHFFFAOYSA-N	-2	1	359.447	4.233	50	0		FIAAML
Cc1cccc([C@@H](Nc2ccc(Br)cc2)P(=O)([O-])[O-])c1	ZINC000012526544	207384036	/nfs/dbraw/zinc/38/40/36/207384036.db2.gz	URVKHGHUVVNAIZ-AWEZNQCLSA-N	-2	1	356.156	4.046	50	0		FIAAML
Cc1cc(C)cc(N[C@@H](c2ccc(OC(F)F)cc2)P(=O)([O-])[O-])c1	ZINC000024769725	568095734	/nfs/dbraw/zinc/09/57/34/568095734.db2.gz	ONEQRTZDJVTDFG-OAHLLOKOSA-N	-2	1	357.293	4.193	50	0		FIAAML
COc1ccc2nc(-c3cc(Br)ccc3[O-])cc(C(=O)[O-])c2c1	ZINC000002294133	209396002	/nfs/dbraw/zinc/39/60/02/209396002.db2.gz	BMKNSVPKXNEFTH-UHFFFAOYSA-N	-2	1	374.190	4.077	50	0		FIAAML
CCCc1cc2c(cc1[O-])oc(=O)c(-c1nc3ccccc3s1)c2[O-]	ZINC000011865280	570597159	/nfs/dbraw/zinc/59/71/59/570597159.db2.gz	LNCRFJZDEQUCCQ-UHFFFAOYSA-N	-2	1	353.399	4.433	50	0		FIAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1C(=O)[O-]	ZINC000013349090	220064434	/nfs/dbraw/zinc/06/44/34/220064434.db2.gz	OXGSTAVAQAUACO-UHFFFAOYSA-N	-2	1	367.426	4.161	50	0		FIAAML
CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000008106254	571359013	/nfs/dbraw/zinc/35/90/13/571359013.db2.gz	GBBKYMGZHRLTSZ-CQSZACIVSA-N	-2	1	361.463	4.018	50	0		FIAAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1	ZINC000012293410	568091467	/nfs/dbraw/zinc/09/14/67/568091467.db2.gz	FKEDCNAQGXUBND-UHFFFAOYSA-N	-2	1	359.447	4.233	50	0		FIAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1	ZINC000012825582	220034889	/nfs/dbraw/zinc/03/48/89/220034889.db2.gz	OEQOJCNWZDKZHG-UHFFFAOYSA-N	-2	1	367.426	4.161	50	0		FIAAML
Cc1ccccc1-c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000032918497	571060305	/nfs/dbraw/zinc/06/03/05/571060305.db2.gz	UENNNEFJLPOFDX-UHFFFAOYSA-N	-2	1	367.426	4.161	50	0		FIAAML
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000033368314	1122395472	/nfs/dbraw/zinc/39/54/72/1122395472.db2.gz	AYGXCXUMHDVVJU-NXZHAISVSA-N	-2	1	364.498	4.345	50	0		FIAAML
O=C([O-])c1cccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1	ZINC000013809886	220096227	/nfs/dbraw/zinc/09/62/27/220096227.db2.gz	VJXKJXOOKLQHFZ-DHDCSXOGSA-N	-2	1	371.439	4.293	50	0		FIAAML
O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccccc2Cl)s1	ZINC000002956018	570677284	/nfs/dbraw/zinc/67/72/84/570677284.db2.gz	MYQIYAJRCQFHDW-UHFFFAOYSA-N	-2	1	371.805	4.414	50	0		FIAAML
O=C([O-])c1cc(-c2cc(Cl)ccc2[O-])nc2n[nH]c(-c3ccccc3)c21	ZINC000006748988	571244837	/nfs/dbraw/zinc/24/48/37/571244837.db2.gz	TXQPRSPMHYYTRN-UHFFFAOYSA-N	-2	1	365.776	4.349	50	0		FIAAML
CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000002858521	570539278	/nfs/dbraw/zinc/53/92/78/570539278.db2.gz	MALKDTPCWGTZCA-UHFFFAOYSA-N	-2	1	367.854	4.182	50	0		FIAAML
Cc1cccc([C@H](Nc2ccc(Br)cc2)P(=O)([O-])[O-])c1	ZINC000012526545	220002801	/nfs/dbraw/zinc/00/28/01/220002801.db2.gz	URVKHGHUVVNAIZ-CQSZACIVSA-N	-2	1	356.156	4.046	50	0		FIAAML
Cc1cc(C)cc(N[C@H](c2ccc(OC(F)F)cc2)P(=O)([O-])[O-])c1	ZINC000024769731	568095746	/nfs/dbraw/zinc/09/57/46/568095746.db2.gz	ONEQRTZDJVTDFG-HNNXBMFYSA-N	-2	1	357.293	4.193	50	0		FIAAML
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000033368313	1122395351	/nfs/dbraw/zinc/39/53/51/1122395351.db2.gz	AYGXCXUMHDVVJU-VTBWALSUSA-N	-2	1	364.498	4.345	50	0		FIAAML
O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	ZINC000004148021	570578651	/nfs/dbraw/zinc/57/86/51/570578651.db2.gz	XLRTUINPEWNVIU-UHFFFAOYSA-N	-2	1	373.474	4.162	50	0		FIAAML
Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC000036293982	571247008	/nfs/dbraw/zinc/24/70/08/571247008.db2.gz	XCBCVFOAJDITJV-UHFFFAOYSA-N	-2	1	367.426	4.161	50	0		FIAAML
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1C	ZINC000003884855	570570144	/nfs/dbraw/zinc/57/01/44/570570144.db2.gz	DGXMXEJIEWJHSK-UHFFFAOYSA-N	-2	1	361.463	4.100	50	0		FIAAML