smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C/c1ccc(-c2ccc(-c3ccc4ccccc4n3)s2)s1	ZINC000005590260	563541511	/nfs/dbraw/zinc/54/15/11/563541511.db2.gz	MNDYYXDRGBFSPR-YBFXNURJSA-N	-1	3	336.441	5.500	10	30		EKEEHM
CCCCCCCC/C=C\CCCCCCCC(=O)N([O-])CCO	ZINC000036294910	213082503	/nfs/dbraw/zinc/08/25/03/213082503.db2.gz	QINGXEUKNRODNT-KTKRTIGZSA-N	-1	3	341.536	5.234	10	30	in-vivo	EKEEHM
CCCCCCCC/C=C\CCCCCCCC(=O)[N-]OCCO	ZINC000036294912	213082479	/nfs/dbraw/zinc/08/24/79/213082479.db2.gz	NPPFEZUZEVDUDA-KTKRTIGZSA-N	-1	3	341.536	5.064	10	30	in-vivo	EKEEHM
CCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1[O-]	ZINC000038180970	519916792	/nfs/dbraw/zinc/91/67/92/519916792.db2.gz	MKQNSTGKLDXAMG-PYCFMQQDSA-N	-1	3	340.423	5.234	10	30		EKEEHM
COc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1[O-]	ZINC000100031621	219089019	/nfs/dbraw/zinc/08/90/19/219089019.db2.gz	XEFXXXMVVOLRHR-XDJDQNRRSA-N	-1	3	331.375	5.567	10	30		EKEEHM
CCCCCCCCCCCCC/C(=N/[O-])c1ccc(O)cc1O	ZINC000100166795	219093683	/nfs/dbraw/zinc/09/36/83/219093683.db2.gz	QCIPLZVFMUUCEI-VZCXRCSSSA-N	-1	3	335.488	5.977	10	30		EKEEHM
[O-]c1ccc(Br)cc1/C=N\c1ccc(Cl)cc1Cl	ZINC000100456721	219099823	/nfs/dbraw/zinc/09/98/23/219099823.db2.gz	BMEZBEZNZSHTTB-IDUWFGFVSA-N	-1	3	345.023	5.212	10	30		EKEEHM
[O-]c1ccc(Br)cc1/C=N\c1ccc(Cl)c(Cl)c1	ZINC000100456884	219099963	/nfs/dbraw/zinc/09/99/63/219099963.db2.gz	QLEALEXAWIYIOB-IDUWFGFVSA-N	-1	3	345.023	5.212	10	30		EKEEHM
[O-]c1ccc(Br)cc1/C=N\c1cc(Cl)cc(Cl)c1	ZINC000100456901	219099685	/nfs/dbraw/zinc/09/96/85/219099685.db2.gz	UHGJKERLQDVILY-IDUWFGFVSA-N	-1	3	345.023	5.212	10	30		EKEEHM
CCCCCCCCOc1ccc(OC(=O)c2ccc([O-])cc2)cc1	ZINC000101005932	219113833	/nfs/dbraw/zinc/11/38/33/219113833.db2.gz	AUAHEIHXXJDSAG-UHFFFAOYSA-N	-1	3	342.435	5.351	10	30		EKEEHM