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-])CCCNC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O	ZINC000109530761	132245398	/nfs/dbraw/zinc/24/53/98/132245398.db2.gz	LADSYCCFQXTMTL-SDNWHVSQSA-N	-1	2	367.361	1.761	40	10		FDCBLM
Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000104108480	222350605	/nfs/dbraw/zinc/35/06/05/222350605.db2.gz	BPVQLIWDRZKNJN-FFZUDHDGSA-N	-1	2	365.400	1.008	40	10		FDCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1	ZINC000408942964	570702074	/nfs/dbraw/zinc/70/20/74/570702074.db2.gz	RILDSHZPWNTBCZ-NTEUORMPSA-N	-1	2	352.302	1.757	40	10		FDCBLM
O=C([O-])COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000409045849	570715832	/nfs/dbraw/zinc/71/58/32/570715832.db2.gz	IXPIPANDADIPEY-GXDHUFHOSA-N	-1	2	366.329	1.816	40	10		FDCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=CNCCCC(=O)[O-])C2=O)cc1	ZINC000408534310	570515860	/nfs/dbraw/zinc/51/58/60/570515860.db2.gz	QGGYVOPNXNPSJL-JLHYYAGUSA-N	-1	2	361.354	1.006	40	10		FDCBLM
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)o1	ZINC000005000818	518325430	/nfs/dbraw/zinc/32/54/30/518325430.db2.gz	ZTTUMBQFRUMNQJ-UHFFFAOYSA-N	-1	2	356.290	1.306	40	10		FDCBLM
O=C([O-])CCCNC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O	ZINC000019596836	518823348	/nfs/dbraw/zinc/82/33/48/518823348.db2.gz	LADSYCCFQXTMTL-KAMYIIQDSA-N	-1	2	367.361	1.761	40	10		FDCBLM