smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(/N=C/c1cc(Cl)ccc1[O-])/N=C/c1cc(Cl)ccc1[O-]	ZINC000001046322	219357681	/nfs/dbraw/zinc/35/76/81/219357681.db2.gz	VPEHNCNZNYRKSA-OIEABDAFSA-N	-2	3	365.260	5.069	50	30		FKEAHL
[O-]c1ccc(/C=N/c2cccc3c(/N=C/c4ccc([O-])cc4)cccc23)cc1	ZINC000001087102	570479791	/nfs/dbraw/zinc/47/97/91/570479791.db2.gz	DNKLHOMVPPUPID-RYQLWAFASA-N	-2	3	366.420	5.752	50	30		FKEAHL
Cc1cc([O-])c(/C=N/c2cc(C(C)(C)C)cc(Cl)c2[O-])c(C)c1Cl	ZINC000001879414	210373700	/nfs/dbraw/zinc/37/37/00/210373700.db2.gz	YANGOLRUZAKGHA-LSFURLLWSA-N	-2	3	366.288	6.070	50	30		FKEAHL
[O-]c1cc(/N=C/c2cccc(F)c2[O-])ccc1-c1nc2ccccc2s1	ZINC000003087067	571344588	/nfs/dbraw/zinc/34/45/88/571344588.db2.gz	ACQWFCNHAFZEJX-SSDVNMTOSA-N	-2	3	364.401	5.264	50	30		FKEAHL
Cc1ccc([O-])c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c1	ZINC000003114111	571344811	/nfs/dbraw/zinc/34/48/11/571344811.db2.gz	KKZLXBQNTWIHGU-FBCYGCLPSA-N	-2	3	368.658	5.190	50	30		FKEAHL
CCCc1ccc([O-])c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000004499449	570801477	/nfs/dbraw/zinc/80/14/77/570801477.db2.gz	VJRLGBMZMANDEK-DJKKODMXSA-N	-2	3	368.658	5.217	50	30		FKEAHL
Cc1cc2nc(-c3cc(/N=C/c4ccccc4[O-])ccc3[O-])oc2cc1C	ZINC000004592817	207030690	/nfs/dbraw/zinc/03/06/90/207030690.db2.gz	IFUXUIMTMOWHBL-FSJBWODESA-N	-2	3	358.397	5.273	50	30		FKEAHL
CCCc1ccc([O-])c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000004673273	571157323	/nfs/dbraw/zinc/15/73/23/571157323.db2.gz	VLFYBQJXLFQWPC-DJKKODMXSA-N	-2	3	368.658	5.217	50	30		FKEAHL
[O-]c1ccc(/N=C\c2cccc(F)c2[O-])cc1-c1nc2ccccc2s1	ZINC000005380028	570650541	/nfs/dbraw/zinc/65/05/41/570650541.db2.gz	MUAVVHAGRPMORS-JJFYIABZSA-N	-2	3	364.401	5.264	50	30		FKEAHL
[O-]c1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3[O-])cccc12	ZINC000017970151	211188464	/nfs/dbraw/zinc/18/84/64/211188464.db2.gz	RXOCGLLBLVONOM-RYQLWAFASA-N	-2	3	366.420	5.752	50	30		FKEAHL
O=C1/C(=C/c2ccc([O-])c(Cl)c2)CC/C1=C/c1ccc([O-])c(Cl)c1	ZINC000060132421	205284359	/nfs/dbraw/zinc/28/43/59/205284359.db2.gz	GHXHTBMFAPVGLX-MFUUIURDSA-N	-2	3	361.224	5.235	50	30		FKEAHL
[O-]c1ccc(Cl)cc1C=Nc1ccc(-c2nc3ccccc3o2)c([O-])c1	ZINC000252624587	571288776	/nfs/dbraw/zinc/28/87/76/571288776.db2.gz	PRGTUKJRWRAOCC-UHFFFAOYSA-N	-2	3	364.788	5.310	50	30		FKEAHL