smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c([O-])c1CN1CCCCC1	ZINC000049070083	205126007	/nfs/dbraw/zinc/12/60/07/205126007.db2.gz	YIDAOOAGFQVSJK-UHFFFAOYSA-N	-1	3	389.879	4.280	1	10		GICFHM
COc1ccc(Nc2nc(-c3cc(O)c([O-])c(O)c3)nc3ccccc32)cc1	ZINC000058581006	205177655	/nfs/dbraw/zinc/17/76/55/205177655.db2.gz	HMYFIZXMDGCPCJ-UHFFFAOYSA-N	-1	3	375.384	4.166	1	10		GICFHM
O=C(N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1[O-])c1cccnc1	ZINC000005042692	204105497	/nfs/dbraw/zinc/10/54/97/204105497.db2.gz	NOSJDLVTDMTHKP-QGZVFWFLSA-N	-1	3	379.803	4.101	1	10		GICFHM
CCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc([O-])c-2c1=O	ZINC000026377907	207312792	/nfs/dbraw/zinc/31/27/92/207312792.db2.gz	UJNMXWCGAUALEW-UHFFFAOYSA-N	-1	3	386.400	4.154	1	10		GICFHM
[O-]c1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(F)c2)N1	ZINC000053365040	222010002	/nfs/dbraw/zinc/01/00/02/222010002.db2.gz	NYBCEKXAQXDDCF-CVDCTZTESA-N	-1	3	390.414	4.483	1	10		GICFHM
CO[C@@]12C(=C(C3CC3)C1c1ccc([O-])c3ncccc13)C(=O)c1ccccc1C2=O	ZINC000096934549	208330062	/nfs/dbraw/zinc/33/00/62/208330062.db2.gz	MVOQTAHXMJGIBA-PXDATVDWSA-N	-1	3	397.430	4.198	1	10		GICFHM
COc1cc(OC)c([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2)cc1OC	ZINC000096938902	208332477	/nfs/dbraw/zinc/33/24/77/208332477.db2.gz	UAEDBZVIMWNWFP-SFHVURJKSA-N	-1	3	378.428	4.010	1	10		GICFHM
Nc1ccc(Cn2c3ccccc3c3c2CN(C(=O)c2ccc([O-])cc2)CC3)cc1	ZINC000014946234	207032989	/nfs/dbraw/zinc/03/29/89/207032989.db2.gz	LRPNXHZUZLOHJT-UHFFFAOYSA-N	-1	3	397.478	4.176	1	10		GICFHM
[O-]c1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(F)c2)N1	ZINC000053365038	222009446	/nfs/dbraw/zinc/00/94/46/222009446.db2.gz	NYBCEKXAQXDDCF-WMZHIEFXSA-N	-1	3	390.414	4.483	1	10		GICFHM
CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2c1O	ZINC000095872232	222360989	/nfs/dbraw/zinc/36/09/89/222360989.db2.gz	JRNNQGNKVKIYRM-UHFFFAOYSA-N	-1	3	398.484	4.230	1	10		GICFHM
[O-]c1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(F)c2)N1	ZINC000053365037	222009207	/nfs/dbraw/zinc/00/92/07/222009207.db2.gz	NYBCEKXAQXDDCF-AUSIDOKSSA-N	-1	3	390.414	4.483	1	10		GICFHM
[O-]c1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1	ZINC000002936915	209398820	/nfs/dbraw/zinc/39/88/20/209398820.db2.gz	DCUHKMMUVVQPLV-WMZHIEFXSA-N	-1	3	390.414	4.234	1	10		GICFHM
CO[C@]12C(=C(C3CC3)C1c1ccc([O-])c3ncccc13)C(=O)c1ccccc1C2=O	ZINC000096934548	211353491	/nfs/dbraw/zinc/35/34/91/211353491.db2.gz	MVOQTAHXMJGIBA-BWKNWUBXSA-N	-1	3	397.430	4.198	1	10		GICFHM
CO[C@@]12C(=C(C3CC3)C1c1ccc([O-])c3ncccc13)C(=O)c1ccccc1C2=O	ZINC000096934550	211353430	/nfs/dbraw/zinc/35/34/30/211353430.db2.gz	MVOQTAHXMJGIBA-SQJMNOBHSA-N	-1	3	397.430	4.198	1	10		GICFHM
CCOc1ccccc1N1CCN(Cc2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000084635239	136174963	/nfs/dbraw/zinc/17/49/63/136174963.db2.gz	IGBIEHNQYLOTAL-UHFFFAOYSA-N	-1	3	397.906	4.315	1	10		GICFHM
[O-]c1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(F)c2)N1	ZINC000053365039	222009903	/nfs/dbraw/zinc/00/99/03/222009903.db2.gz	NYBCEKXAQXDDCF-XXBNENTESA-N	-1	3	390.414	4.483	1	10		GICFHM