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-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000409058200	560670661	/nfs/dbraw/zinc/67/06/61/560670661.db2.gz	SCWKAPVPPDQHRK-OVCLIPMQSA-N	-1	2	411.326	1.725	40	10		HDCBLM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)[O-]	ZINC000035351241	557694385	/nfs/dbraw/zinc/69/43/85/557694385.db2.gz	HFKYXDDSTIDGLY-QPEQYQDCSA-N	-1	2	413.342	1.528	40	10		HDCBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000409067535	560672495	/nfs/dbraw/zinc/67/24/95/560672495.db2.gz	RETNHYOIFCRJQS-DHDCSXOGSA-N	-1	2	411.326	1.725	40	10		HDCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000012428925	132359796	/nfs/dbraw/zinc/35/97/96/132359796.db2.gz	RTHMLNZCPJOROH-VGOFMYFVSA-N	-1	2	410.338	1.545	40	10		HDCBLM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O)C(=O)[O-]	ZINC000409192883	560689754	/nfs/dbraw/zinc/68/97/54/560689754.db2.gz	FOIFHEQRAHLGFY-KYJZABPNSA-N	-1	2	424.365	1.934	40	10		HDCBLM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C(=O)[O-]	ZINC000409044521	560669300	/nfs/dbraw/zinc/66/93/00/560669300.db2.gz	VQJISPIRWNXKBV-ZROIWOOFSA-N	-1	2	411.326	1.968	40	10		HDCBLM
O=C([O-])COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000409071493	560673238	/nfs/dbraw/zinc/67/32/38/560673238.db2.gz	RRLSNAIFKCFGBM-NVNXTCNLSA-N	-1	2	411.326	1.725	40	10		HDCBLM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000409064377	560672114	/nfs/dbraw/zinc/67/21/14/560672114.db2.gz	GWPKWVOPSZAGBI-YBEGLDIGSA-N	-1	2	424.365	1.603	40	10		HDCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409047104	560669638	/nfs/dbraw/zinc/66/96/38/560669638.db2.gz	NBJDOFIIIMXPLA-RIYZIHGNSA-N	-1	2	412.354	1.531	40	10		HDCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000409052901	560669597	/nfs/dbraw/zinc/66/95/97/560669597.db2.gz	BJDJRANDWPWDEW-OQLLNIDSSA-N	-1	2	411.326	1.725	40	10		HDCBLM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(C(=O)[O-])c3)C2=O)cc1	ZINC000409042383	560669107	/nfs/dbraw/zinc/66/91/07/560669107.db2.gz	MQZGMKSOQRNWPW-GDNBJRDFSA-N	-1	2	424.365	1.846	40	10		HDCBLM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O)C(=O)[O-]	ZINC000409192880	560689742	/nfs/dbraw/zinc/68/97/42/560689742.db2.gz	FOIFHEQRAHLGFY-GYBQTFJISA-N	-1	2	424.365	1.934	40	10		HDCBLM