smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c2c(c1)C(=O)c1ccc(-c3c(C)cc([O-])c4c3C(=O)c3cccc([O-])c3C4=O)c([O-])c1C2=O	ZINC000013373691	561711738	/nfs/dbraw/zinc/71/17/38/561711738.db2.gz	BXWGUDGILDGCGB-UHFFFAOYSA-N	-4	3	506.466	4.344	1	10		KICFHL
COC(=O)[C@H](C)NCc1cc2ccccc2c(-c2c([O-])c(CN[C@@H](C)C(=O)OC)cc3ccccc32)c1[O-]	ZINC000028861954	561971873	/nfs/dbraw/zinc/97/18/73/561971873.db2.gz	AKRFXZBBLUVJNZ-ROUUACIJSA-N	-2	3	516.594	4.373	1	10		KICFHL
COC(=O)c1cc2c(c([O-])c1[C@@H](C)OC(C)=O)C(=O)c1c([O-])cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973492	561986185	/nfs/dbraw/zinc/98/61/85/561986185.db2.gz	MFLXCCWOEBQIHW-SNVBAGLBSA-N	-2	3	512.898	4.408	1	10	in-vivo	KICFHL
COC(=O)c1cc2c(c([O-])c1[C@H](C)OC(C)=O)C(=O)c1c([O-])cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973497	561986208	/nfs/dbraw/zinc/98/62/08/561986208.db2.gz	MFLXCCWOEBQIHW-JTQLQIEISA-N	-2	3	512.898	4.408	1	10	in-vivo	KICFHL
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(C(C)(C)C)cc(I)c1[O-]	ZINC000029390465	562017262	/nfs/dbraw/zinc/01/72/62/562017262.db2.gz	MAIREGFJUSOUPB-MBSDFSHPSA-N	-2	3	624.516	4.250	1	10		KICFHL
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043121126	562646141	/nfs/dbraw/zinc/64/61/41/562646141.db2.gz	FPTSGAAACQGSOW-SFHVURJKSA-N	-2	3	549.532	4.324	1	10		KICFHL
O=S1(=O)[N-]c2ccc(-c3cncc(OC[C@H](Cc4c[nH]c5ccccc45)Nc4ccc5c(c4)[N-]S(=O)(=O)N5)c3)cc2N1	ZINC000044031771	562651595	/nfs/dbraw/zinc/65/15/95/562651595.db2.gz	VNLLALPIZGAWOM-NRFANRHFSA-N	-2	3	603.686	4.497	1	10		KICFHL
O=S1(=O)[N-]c2cc(N[C@H](COc3cncc(-c4ccc5c(c4)[N-]S(=O)(=O)N5)c3)Cc3c[nH]c4ccccc34)ccc2N1	ZINC000044031771	562651594	/nfs/dbraw/zinc/65/15/94/562651594.db2.gz	VNLLALPIZGAWOM-NRFANRHFSA-N	-2	3	603.686	4.497	1	10		KICFHL
CCCn1ncc2cc3c(c(=O)c-2c1[O-])-c1c([O-])c2c(c(OC)c1CC3)C(=O)c1c(cc(OC(=O)OC)c(C)c1OC(C)=O)C2=O	ZINC000049639496	562667764	/nfs/dbraw/zinc/66/77/64/562667764.db2.gz	FFYJVMIRATVHII-UHFFFAOYSA-N	-2	3	628.590	4.146	1	10		KICFHL
COC(=O)[C@@H]1CCC(=O)N1Cc1cc(O)c([O-])c(Br)c1Cc1cc(O)c([O-])c(Br)c1Br	ZINC000049841546	562688477	/nfs/dbraw/zinc/68/84/77/562688477.db2.gz	JTKHRHBOOCMXFM-NSHDSACASA-N	-2	3	624.076	4.051	1	10		KICFHL
COC(=O)[C@H]1CCC(=O)N1Cc1cc(O)c([O-])c(Br)c1Cc1cc(O)c([O-])c(Br)c1Br	ZINC000049841547	562688474	/nfs/dbraw/zinc/68/84/74/562688474.db2.gz	JTKHRHBOOCMXFM-LLVKDONJSA-N	-2	3	624.076	4.051	1	10		KICFHL
COC(=O)CCCNC(=O)NCc1cc(O)c([O-])c(Br)c1Cc1cc(O)c([O-])c(Br)c1Br	ZINC000049878199	562690443	/nfs/dbraw/zinc/69/04/43/562690443.db2.gz	MEVCZGFMVBBZMZ-UHFFFAOYSA-N	-2	3	641.107	4.140	1	10		KICFHL
CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1)[NH2+]C[C@H](O)c1ccc([O-])c([N-]S(C)(=O)=O)c1	ZINC000064553272	562708233	/nfs/dbraw/zinc/70/82/33/562708233.db2.gz	UQXAYUDUCJABOF-VWLOTQADSA-N	-2	3	610.560	4.279	1	10		KICFHL
COc1cc([O-])c2c(c1)C(=O)c1cc(C)c([O-])c(-c3c([O-])c4c(cc3OC)C(=O)c3cc(C)c([O-])cc3C4=O)c1C2=O	ZINC000084603355	562744139	/nfs/dbraw/zinc/74/41/39/562744139.db2.gz	IFLKWZMIHYZTTR-UHFFFAOYSA-N	-4	3	566.518	4.361	1	10		KICFHL
COc1cc(O)c2c(=O)oc3c(cc(O)c([O-])c3-c3c(O)c([O-])cc4oc(=O)c5c(O)cc(OC)cc5c43)c2c1	ZINC000084617493	562744880	/nfs/dbraw/zinc/74/48/80/562744880.db2.gz	KILSNFDREQHTBU-UHFFFAOYSA-N	-2	3	546.440	4.124	1	10		KICFHL
O=C1N=C(NCCN2CCN(CCNC3=NC(=O)C(=Cc4cc(Br)c([O-])c(Br)c4)S3)CC2)SC1=Cc1ccc([O-])cc1	ZINC000095557826	562762207	/nfs/dbraw/zinc/76/22/07/562762207.db2.gz	XXARKEQGQPISHL-OZKZUFLSSA-N	-2	3	736.512	4.060	1	10		KICFHL
COC(=O)CCCCCCCCC(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000096934532	562803899	/nfs/dbraw/zinc/80/38/99/562803899.db2.gz	AWHLGRBJOAXQRL-UHFFFAOYSA-N	-2	3	500.500	4.482	1	10		KICFHL
CCOc1ccc2nc(NC(=O)C([O-])=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985687	562813890	/nfs/dbraw/zinc/81/38/90/562813890.db2.gz	OYGYPFGJGQWDBF-VGSWGCGISA-N	-2	3	546.601	4.089	1	10		KICFHL
CCOc1ccc2nc(NC(=O)C([O-])=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985689	562813885	/nfs/dbraw/zinc/81/38/85/562813885.db2.gz	OYGYPFGJGQWDBF-VGOFRKELSA-N	-2	3	546.601	4.089	1	10		KICFHL
CCOc1ccc2nc(NC(=O)C([O-])=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985691	562813872	/nfs/dbraw/zinc/81/38/72/562813872.db2.gz	OYGYPFGJGQWDBF-JTSKRJEESA-N	-2	3	546.601	4.089	1	10		KICFHL
CCOc1ccc2nc(NC(=O)C([O-])=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985692	562813879	/nfs/dbraw/zinc/81/38/79/562813879.db2.gz	OYGYPFGJGQWDBF-HTAPYJJXSA-N	-2	3	546.601	4.089	1	10		KICFHL
Cc1cc([O-])cc2c1C(=O)c1cc(-c3c(C)cc4c(c3[O-])C(=O)c3c([O-])cccc3C4=O)cc([O-])c1C2=O	ZINC000103235114	562818655	/nfs/dbraw/zinc/81/86/55/562818655.db2.gz	ZRRZSYXEHVZHQQ-UHFFFAOYSA-N	-4	3	506.466	4.344	1	10		KICFHL
COc1ccc(S(=O)(=O)[N-]c2cc(Sc3ncnc4nc[n-]c43)c([O-])c3ccccc23)cc1OC	ZINC000103267395	562822427	/nfs/dbraw/zinc/82/24/27/562822427.db2.gz	OGYAOIRZEOKQGD-UHFFFAOYSA-N	-3	3	509.569	4.181	1	10		KICFHL
COc1cc([O-])c2c(c1)C(=O)c1cc(C)c([O-])c(-c3c(OC)cc([O-])c4c3C(=O)c3cc(C)c([O-])cc3C4=O)c1C2=O	ZINC000200634906	562873396	/nfs/dbraw/zinc/87/33/96/562873396.db2.gz	YZSAXGKYJYWVOD-UHFFFAOYSA-N	-4	3	566.518	4.361	1	10		KICFHL
COc1cc([O-])c2c(c1)C(=O)c1cc(C)c([O-])c(-c3c([O-])c(C)cc4c3C(=O)c3c([O-])cc(OC)cc3C4=O)c1C2=O	ZINC000299825480	562883571	/nfs/dbraw/zinc/88/35/71/562883571.db2.gz	YMUYQXVUCQBXAD-UHFFFAOYSA-N	-4	3	566.518	4.361	1	10		KICFHL
COc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c3ccccc23)cc1OC	ZINC000473160727	562902794	/nfs/dbraw/zinc/90/27/94/562902794.db2.gz	ZGCDUXFZWNURGR-UHFFFAOYSA-N	-2	3	558.634	4.476	1	10		KICFHL
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1c([O-])c(O)c(Br)c2[C@@H](C(C)=O)C(=O)[O-]	ZINC000008671627	561706511	/nfs/dbraw/zinc/70/65/11/561706511.db2.gz	UOGZZDLPFGQPGB-OAHLLOKOSA-N	-2	3	504.333	4.355	3	10		KICFHL
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1c([O-])c(O)c(Br)c2[C@H](C(C)=O)C(=O)[O-]	ZINC000008671628	561706543	/nfs/dbraw/zinc/70/65/43/561706543.db2.gz	UOGZZDLPFGQPGB-HNNXBMFYSA-N	-2	3	504.333	4.355	3	10		KICFHL