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-])c1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004739431	435980881	/nfs/dbraw/zinc/98/08/81/435980881.db2.gz	MQWYDCIBCVDOTQ-UHFFFAOYSA-N	-2	0	325.280	0.925	50	10		ECCARL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000020572480	202049247	/nfs/dbraw/zinc/04/92/47/202049247.db2.gz	MWTHXJKIZFXYKV-GFCCVEGCSA-N	-2	0	342.311	0.003	50	10		ECCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002892008	435970727	/nfs/dbraw/zinc/97/07/27/435970727.db2.gz	SLXNODPDYMFMQB-QMMMGPOBSA-N	-2	0	348.311	0.687	50	10		ECCARL
Cn1c2nc(N=NNc3ccc(C(=O)[O-])cc3)[n-]c2c(=O)n(C)c1=O	ZINC000009310175	436035531	/nfs/dbraw/zinc/03/55/31/436035531.db2.gz	ZUOLAFLUPRWPFA-UHFFFAOYSA-N	-2	0	343.303	0.769	50	10		ECCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000004653008	210238725	/nfs/dbraw/zinc/23/87/25/210238725.db2.gz	SLXNODPDYMFMQB-MRVPVSSYSA-N	-2	0	348.311	0.687	50	10		ECCARL
COc1cc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000101746907	436549738	/nfs/dbraw/zinc/54/97/38/436549738.db2.gz	XDMCXZHUZWAHIG-FPYGCLRLSA-N	-2	0	345.275	0.628	50	10		ECCARL
CCOc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCC(=O)[O-]	ZINC000004723952	210259588	/nfs/dbraw/zinc/25/95/88/210259588.db2.gz	ROZPNWUVEWTYAB-UHFFFAOYSA-N	-2	0	334.284	0.298	50	10		ECCARL
O=C([O-])c1cccc(-n2cccc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000004674671	210242863	/nfs/dbraw/zinc/24/28/63/210242863.db2.gz	USVBPJNYZREEAA-UHFFFAOYSA-N	-2	0	325.280	0.925	50	10		ECCARL
CCCCN1C(=O)[N-]C(=O)C(=CN[C@H](CCSC)C(=O)[O-])C1=O	ZINC000020462011	212133561	/nfs/dbraw/zinc/13/35/61/212133561.db2.gz	UCUAATNSIGAMGO-AAXQSMANSA-N	-2	0	343.405	0.545	50	10		ECCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000096302109	436530687	/nfs/dbraw/zinc/53/06/87/436530687.db2.gz	JYRRXPCYOSXJHO-YWEYNIOJSA-N	-2	0	335.272	0.791	50	10		ECCARL
Nc1nc2nc(N=Nc3ccc(S(=O)(=O)[O-])cc3)[n-]c2c(=O)[nH]1	ZINC000004430092	435979659	/nfs/dbraw/zinc/97/96/59/435979659.db2.gz	WLZVIPJWGHVKJK-ISLYRVAYSA-N	-2	0	335.305	0.891	50	10		ECCARL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000020572481	202048558	/nfs/dbraw/zinc/04/85/58/202048558.db2.gz	MWTHXJKIZFXYKV-LBPRGKRZSA-N	-2	0	342.311	0.003	50	10		ECCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013126825	436060273	/nfs/dbraw/zinc/06/02/73/436060273.db2.gz	JYRRXPCYOSXJHO-XBXARRHUSA-N	-2	0	335.272	0.791	50	10		ECCARL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000015722821	436084426	/nfs/dbraw/zinc/08/44/26/436084426.db2.gz	QVVXEIDVTHNWBY-UITAMQMPSA-N	-2	0	334.284	0.250	50	10		ECCARL
Cc1c(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(=O)[n-]n1-c1ccccc1	ZINC000013786218	436065628	/nfs/dbraw/zinc/06/56/28/436065628.db2.gz	KQOKCSKQHNPHCH-XYOKQWHBSA-N	-2	0	326.312	0.770	50	10		ECCARL
CN(C)/N=N/c1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1	ZINC000002196700	435965877	/nfs/dbraw/zinc/96/58/77/435965877.db2.gz	JYMIPKFEGDJIGI-FYWRMAATSA-N	-2	0	328.350	0.917	50	10		ECCARL
COc1cc(C=C2C(=O)N(c3nnn[n-]3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000009934464	436036976	/nfs/dbraw/zinc/03/69/76/436036976.db2.gz	XDMCXZHUZWAHIG-BAQGIRSFSA-N	-2	0	345.275	0.628	50	10		ECCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000004704470	210253927	/nfs/dbraw/zinc/25/39/27/210253927.db2.gz	SGIUQNCHGYXWQF-POHAHGRESA-N	-2	0	348.311	0.640	50	10		ECCARL
CCCCN1C(=O)[N-]C(=O)C(=CN[C@@H](CCSC)C(=O)[O-])C1=O	ZINC000020462008	212133610	/nfs/dbraw/zinc/13/36/10/212133610.db2.gz	UCUAATNSIGAMGO-DDXVTDLHSA-N	-2	0	343.405	0.545	50	10		ECCARL
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)[O-])cc(C(=O)[O-])nc1C(=O)C2=O	ZINC000001532545	304228255	/nfs/dbraw/zinc/22/82/55/304228255.db2.gz	MMXZSJMASHPLLR-UHFFFAOYSA-N	-3	0	330.208	0.550	50	10	endogenous,in-man	ECCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000002284172	435965669	/nfs/dbraw/zinc/96/56/69/435965669.db2.gz	QVVXEIDVTHNWBY-WEVVVXLNSA-N	-2	0	334.284	0.250	50	10		ECCARL