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-])CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000015261185	395689902	/nfs/dbraw/zinc/68/99/02/395689902.db2.gz	PRCRWIWEDONYKC-MAHOQKISSA-N	-2	0	309.274	0.545	40	10	in-vitro	DCCBRL
COc1cc(C=O)cc(CN2CCN(CC(=O)[O-])CC2)c1[O-]	ZINC001738810788	1187660228	/nfs/dbraw/zinc/66/02/28/1187660228.db2.gz	RSYLKJBHCRPXPX-UHFFFAOYSA-N	-2	0	308.334	0.416	40	10		DCCBRL
COC(=O)c1[n-]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1CCO	ZINC000100758240	395763706	/nfs/dbraw/zinc/76/37/06/395763706.db2.gz	AZOLKTWHLNKUEW-SNVBAGLBSA-N	-2	0	306.274	0.259	40	10		DCCBRL
O=C([O-])c1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2c(c1)COCO2	ZINC000020459193	304220012	/nfs/dbraw/zinc/22/00/12/304220012.db2.gz	WLALCFBYACXGHH-UHFFFAOYSA-N	-2	0	318.241	0.841	40	10		DCCBRL
C[C@]1(C(=O)[O-])N[C@H](C(=O)[O-])Cc2c3cc(O)c(O)cc3[nH]c21	ZINC000003847523	300786344	/nfs/dbraw/zinc/78/63/44/300786344.db2.gz	JYFMZAXVDFNRND-RTHLEPHNSA-N	-2	0	306.274	0.478	40	10		DCCBRL
COC(=O)c1[n-]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1CCO	ZINC000100758241	395763694	/nfs/dbraw/zinc/76/36/94/395763694.db2.gz	AZOLKTWHLNKUEW-JTQLQIEISA-N	-2	0	306.274	0.259	40	10		DCCBRL
CN1C(=O)[N-]C(=O)C(=CNc2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000408535436	530045748	/nfs/dbraw/zinc/04/57/48/530045748.db2.gz	SRDZVQZCFGPLFY-VMPITWQZSA-N	-2	0	305.246	0.094	40	10		DCCBRL
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1	ZINC000016383310	304655642	/nfs/dbraw/zinc/65/56/42/304655642.db2.gz	KDUFORKPAUDBHB-UHFFFAOYSA-N	-2	0	322.189	0.798	40	10		DCCBRL
C[C@@]1(C(=O)[O-])N[C@@H](C(=O)[O-])Cc2c3cc(O)c(O)cc3[nH]c21	ZINC000003847520	415129849	/nfs/dbraw/zinc/12/98/49/415129849.db2.gz	JYFMZAXVDFNRND-XLKFXECMSA-N	-2	0	306.274	0.478	40	10		DCCBRL
C[C@H](Oc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000409190785	239274896	/nfs/dbraw/zinc/27/48/96/239274896.db2.gz	WEHVLCLNBFGBQC-ZETCQYMHSA-N	-2	0	304.258	0.288	40	10		DCCBRL
C[C@@H](Oc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000409190781	296210076	/nfs/dbraw/zinc/21/00/76/296210076.db2.gz	WEHVLCLNBFGBQC-SSDOTTSWSA-N	-2	0	304.258	0.288	40	10		DCCBRL
C[C@@]1(C(=O)[O-])N[C@H](C(=O)[O-])Cc2c3cc(O)c(O)cc3[nH]c21	ZINC000003847522	415129655	/nfs/dbraw/zinc/12/96/55/415129655.db2.gz	JYFMZAXVDFNRND-RMLUDKJBSA-N	-2	0	306.274	0.478	40	10		DCCBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCC(=O)[O-])C1=O	ZINC000408529179	534821327	/nfs/dbraw/zinc/82/13/27/534821327.db2.gz	HETWDUVMSRXSFA-RMKNXTFCSA-N	-2	0	303.274	0.136	40	10		DCCBRL
C[C@]1(C(=O)[O-])N[C@@H](C(=O)[O-])Cc2c3cc(O)c(O)cc3[nH]c21	ZINC000003847521	395682562	/nfs/dbraw/zinc/68/25/62/395682562.db2.gz	JYFMZAXVDFNRND-CLAHSXSESA-N	-2	0	306.274	0.478	40	10		DCCBRL
Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000408527945	397358209	/nfs/dbraw/zinc/35/82/09/397358209.db2.gz	GUJVBXSAVUNCIK-RMKNXTFCSA-N	-2	0	303.274	0.697	40	10		DCCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCC(=O)[O-])C2=O)cc1	ZINC000019597175	395691024	/nfs/dbraw/zinc/69/10/24/395691024.db2.gz	SAMVBCSVMDIIMF-POHAHGRESA-N	-2	0	303.274	0.136	40	10		DCCBRL
CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1C(=O)[O-]	ZINC000006845247	395683110	/nfs/dbraw/zinc/68/31/10/395683110.db2.gz	WKPUEGVWJJCOIP-UHFFFAOYSA-N	-2	0	304.258	0.533	40	10		DCCBRL
O=C([O-])CCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000019593558	395690971	/nfs/dbraw/zinc/69/09/71/395690971.db2.gz	FBUVDFLJDWTPJQ-LUAWRHEFSA-N	-2	0	317.301	0.608	40	10		DCCBRL