smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(-n2c(C)cc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)c2C)cc1	ZINC000009273468	204305935	/nfs/dbraw/zinc/30/59/35/204305935.db2.gz	UZKNFOWWQGBGKL-JXMROGBWSA-N	-2	0	380.404	3.524	50	10		GHCARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C\c3cccs3)SC2=S)c1	ZINC000005214773	204119821	/nfs/dbraw/zinc/11/98/21/204119821.db2.gz	OWZXZIAQTFKZCY-KPKJPENVSA-N	-2	0	391.451	3.550	50	10		GHCARL
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)[O-]	ZINC000033323855	570978830	/nfs/dbraw/zinc/97/88/30/570978830.db2.gz	DFAYYATWTQTYMT-YBEGLDIGSA-N	-2	0	394.383	3.517	50	10		GHCARL
Cc1ccc(C)c(-c2csc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n2)c1	ZINC000012526240	570830841	/nfs/dbraw/zinc/83/08/41/570830841.db2.gz	QJXYTWSTHZBGTE-UHFFFAOYSA-N	-2	0	388.470	3.926	50	10		GHCARL
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000101113994	570814475	/nfs/dbraw/zinc/81/44/75/570814475.db2.gz	HYZAIDIXTHGUKT-LDADJPATSA-N	-2	0	387.395	3.962	50	10		GHCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(C)c(C)c1	ZINC000017077731	570939579	/nfs/dbraw/zinc/93/95/79/570939579.db2.gz	IJPOCXCCROKXCQ-SOFGYWHQSA-N	-2	0	380.404	3.578	50	10		GHCARL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000013548668	570757364	/nfs/dbraw/zinc/75/73/64/570757364.db2.gz	KNKQLZRKIYEEAB-VZUCSPMQSA-N	-2	0	395.173	3.505	50	10		GHCARL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000001198498	918522719	/nfs/dbraw/zinc/52/27/19/918522719.db2.gz	XZQRENVUZHHTGO-IZZDOVSWSA-N	-2	0	393.251	3.530	50	10		GHCARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ccccc23)c1	ZINC000004976935	209120883	/nfs/dbraw/zinc/12/08/83/209120883.db2.gz	AXCXDQTWMFCUFZ-UHFFFAOYSA-N	-2	0	378.793	3.908	50	10		GHCARL
O=S(=O)([N-]c1cc(Sc2nc[nH]n2)c([O-])c2ccccc12)c1ccccc1	ZINC000002685329	861510875	/nfs/dbraw/zinc/51/08/75/861510875.db2.gz	DIHWMXSCKBJTOT-UHFFFAOYSA-N	-2	0	398.469	3.616	50	10		GHCARL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000003831490	206261256	/nfs/dbraw/zinc/26/12/56/206261256.db2.gz	NCEXYHBECQHGNR-QZQOTICOSA-N	-2	0	398.400	3.702	50	10	fda	GHCARL
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000020101002	136202514	/nfs/dbraw/zinc/20/25/14/136202514.db2.gz	QJRNXICVMMTENW-YBEGLDIGSA-N	-2	0	378.384	3.817	50	10		GHCARL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000005059043	843425065	/nfs/dbraw/zinc/42/50/65/843425065.db2.gz	QTKWNUWIULLIRQ-KPKJPENVSA-N	-2	0	393.251	3.530	50	10		GHCARL
CCOc1ccc(C(=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000033417608	210647626	/nfs/dbraw/zinc/64/76/26/210647626.db2.gz	QZIIQOQCENUWDR-PTNGSMBKSA-N	-2	0	394.383	3.599	50	10		GHCARL
Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n2)cc1C	ZINC000012521417	570828374	/nfs/dbraw/zinc/82/83/74/570828374.db2.gz	VWQZROWNTBAQNW-UHFFFAOYSA-N	-2	0	388.470	3.926	50	10		GHCARL
O=S(=O)([N-]c1ccc([O-])c(Sc2nc[nH]n2)c1)c1cccc2ccccc21	ZINC000005595383	570448338	/nfs/dbraw/zinc/44/83/38/570448338.db2.gz	ZVTCYLUCAHANJI-UHFFFAOYSA-N	-2	0	398.469	3.616	50	10		GHCARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000101141774	570815805	/nfs/dbraw/zinc/81/58/05/570815805.db2.gz	DBXFRMLKCQOUEO-MHWRWJLKSA-N	-2	0	394.387	3.628	50	10		GHCARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1	ZINC000035643809	570415451	/nfs/dbraw/zinc/41/54/51/570415451.db2.gz	OWZXZIAQTFKZCY-GHXNOFRVSA-N	-2	0	391.451	3.550	50	10		GHCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)c1	ZINC000004672589	570819438	/nfs/dbraw/zinc/81/94/38/570819438.db2.gz	BNQUEGZWZRWXQO-SDQBBNPISA-N	-2	0	391.210	3.674	50	10		GHCARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1	ZINC000003348500	862356590	/nfs/dbraw/zinc/35/65/90/862356590.db2.gz	YIIFDIAZZDHDAM-UHFFFAOYSA-N	-2	0	394.861	3.963	50	10		GHCARL
Cc1cc(-c2ccc(/N=N/S(=O)(=O)[O-])c(C)c2)ccc1/N=N/S(=O)(=O)[O-]	ZINC000003098189	570328470	/nfs/dbraw/zinc/32/84/70/570328470.db2.gz	AFAVIEKHWQNXBF-YTEMWHBBSA-N	-2	0	398.422	3.743	50	10		GHCARL
Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000034238318	570600203	/nfs/dbraw/zinc/60/02/03/570600203.db2.gz	NDCNOZOSQVRTCN-YBEGLDIGSA-N	-2	0	389.367	3.681	50	10		GHCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(Cl)cc1	ZINC000016268384	210187810	/nfs/dbraw/zinc/18/78/10/210187810.db2.gz	NPEZYQNEEXKUKJ-BAQGIRSFSA-N	-2	0	386.795	3.615	50	10		GHCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000004704486	570395811	/nfs/dbraw/zinc/39/58/11/570395811.db2.gz	LKUKBMXNOKYYCJ-SDQBBNPISA-N	-2	0	391.210	3.674	50	10		GHCARL