smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(NC(=O)C([O-])=C([C@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])c1	ZINC000005809478	204153510	/nfs/dbraw/zinc/15/35/10/204153510.db2.gz	UYRYFMRTULQKHF-YIFBXAAPSA-N	-2	0	390.392	1.772	40	30		GDEBRL
Cc1ccc(S(=O)([O-])=NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1	ZINC000031901262	525483454	/nfs/dbraw/zinc/48/34/54/525483454.db2.gz	JVPUENSYQZSVHP-OAHLLOKOSA-N	-2	0	378.406	1.589	40	30		GDEBRL
COc1nc(NC([O-])=NS(=O)(=O)c2ccccc2C(=O)[O-])ncc1Cl	ZINC000026892983	530586682	/nfs/dbraw/zinc/58/66/82/530586682.db2.gz	XNXDHKLWTHKXAK-UHFFFAOYSA-N	-2	0	386.773	1.552	40	30		GDEBRL
Cc1ccc(NC(=O)C([O-])=C([C@@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])cc1	ZINC000005809460	204153458	/nfs/dbraw/zinc/15/34/58/204153458.db2.gz	KZLHZZIAHWCXEC-PDUOOLKUSA-N	-2	0	376.365	1.464	40	30		GDEBRL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000100030102	527559986	/nfs/dbraw/zinc/55/99/86/527559986.db2.gz	OQANPHBRHBJGNZ-FYJGNVAPSA-N	-2	0	398.400	1.800	40	30		GDEBRL
CC1(C)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C([O-])=C[C@H]3[C@@H](O)[C@@H]21	ZINC000001708558	570267182	/nfs/dbraw/zinc/26/71/82/570267182.db2.gz	XYBRULPNLJBOJI-LVEYKLOQSA-N	-2	0	399.399	1.172	40	30		GDEBRL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O	ZINC000408739413	534541268	/nfs/dbraw/zinc/54/12/68/534541268.db2.gz	BQCYBVCCHBZSKK-PFHXIJNMSA-N	-2	0	383.385	1.857	40	30		GDEBRL
Cc1ccc(C)c(NC(=O)C([O-])=C([C@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])c1	ZINC000001626688	206387032	/nfs/dbraw/zinc/38/70/32/206387032.db2.gz	UYRYFMRTULQKHF-FCLUMBPUSA-N	-2	0	390.392	1.772	40	30		GDEBRL
Cc1ccc(NC(=O)C([O-])=C([C@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])cc1	ZINC000001626683	206387727	/nfs/dbraw/zinc/38/77/27/206387727.db2.gz	KZLHZZIAHWCXEC-WJCKQCIISA-N	-2	0	376.365	1.464	40	30		GDEBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009323921	524395533	/nfs/dbraw/zinc/39/55/33/524395533.db2.gz	JBLUIHDNDPAXIK-VYXQJKENSA-N	-2	0	381.344	1.995	40	30		GDEBRL
CC1(C)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C([O-])=C[C@H]3[C@@H](O)[C@H]21	ZINC000004879655	570414905	/nfs/dbraw/zinc/41/49/05/570414905.db2.gz	XYBRULPNLJBOJI-GSXINXAQSA-N	-2	0	399.399	1.172	40	30		GDEBRL
CC1(C)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C([O-])=C[C@H]3[C@@H](O)[C@H]21	ZINC000004879652	570414708	/nfs/dbraw/zinc/41/47/08/570414708.db2.gz	XYBRULPNLJBOJI-SFNQMWQSSA-N	-2	0	399.399	1.172	40	30		GDEBRL
Cc1ccc(C)c(NC(=O)C([O-])=C([C@@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])c1	ZINC000005809472	570457894	/nfs/dbraw/zinc/45/78/94/570457894.db2.gz	UYRYFMRTULQKHF-CZAMWMTLSA-N	-2	0	390.392	1.772	40	30		GDEBRL
N=C(NN=Cc1cc([N+](=O)[O-])ccc1[O-])NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016385636	570923862	/nfs/dbraw/zinc/92/38/62/570923862.db2.gz	IDRRFKUWHXYION-ZEELXFFVSA-N	-2	0	387.312	1.396	40	30		GDEBRL
Cc1ccc(C)c(NC(=O)C([O-])=C([C@@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])c1	ZINC000005809474	209616825	/nfs/dbraw/zinc/61/68/25/209616825.db2.gz	UYRYFMRTULQKHF-AWBCAMRRSA-N	-2	0	390.392	1.772	40	30		GDEBRL
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])n1	ZINC000022005915	570384931	/nfs/dbraw/zinc/38/49/31/570384931.db2.gz	PPWBRCCBKOWDNB-UHFFFAOYSA-N	-2	0	396.381	1.048	40	30	in-vitro	GDEBRL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000033870157	570420747	/nfs/dbraw/zinc/42/07/47/570420747.db2.gz	UNDMIJOXJYGGOU-BVIHXZOGSA-N	-2	0	378.406	1.813	40	30		GDEBRL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C=CC1=O	ZINC000014768602	560226128	/nfs/dbraw/zinc/22/61/28/560226128.db2.gz	OQANPHBRHBJGNZ-BKUYFWCQSA-N	-2	0	398.400	1.800	40	30	in-vitro	GDEBRL
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000033870158	570420713	/nfs/dbraw/zinc/42/07/13/570420713.db2.gz	UNDMIJOXJYGGOU-PKIAMQTDSA-N	-2	0	378.406	1.813	40	30		GDEBRL
Cc1ccc(NC(=O)C([O-])=C([C@@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])cc1	ZINC000005809462	570457892	/nfs/dbraw/zinc/45/78/92/570457892.db2.gz	KZLHZZIAHWCXEC-DUUOMRMWSA-N	-2	0	376.365	1.464	40	30		GDEBRL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O	ZINC000408739414	534541683	/nfs/dbraw/zinc/54/16/83/534541683.db2.gz	BQCYBVCCHBZSKK-VDLQQMNMSA-N	-2	0	383.385	1.857	40	30		GDEBRL
Cc1ccc(NC(=O)C([O-])=C([C@H]2[C@H](C)CC(=O)[C@@H]2CC(=O)[O-])[N+](=O)[O-])cc1	ZINC000005809465	570457779	/nfs/dbraw/zinc/45/77/79/570457779.db2.gz	KZLHZZIAHWCXEC-LPGAHRBXSA-N	-2	0	376.365	1.464	40	30		GDEBRL
CC1(C)c2cccc(O)c2C([O-])=C2C(=O)C3=C(O)C(C(N)=O)C([O-])=C[C@H]3[C@@H](O)[C@@H]21	ZINC000004879650	570414785	/nfs/dbraw/zinc/41/47/85/570414785.db2.gz	XYBRULPNLJBOJI-VJRWJWAOSA-N	-2	0	399.399	1.172	40	30		GDEBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009323919	524391686	/nfs/dbraw/zinc/39/16/86/524391686.db2.gz	JBLUIHDNDPAXIK-IXJMWADBSA-N	-2	0	381.344	1.995	40	30		GDEBRL