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-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000005033156	204104435	/nfs/dbraw/zinc/10/44/35/204104435.db2.gz	AWIBMSZVQYQRBY-PZHUPROXSA-N	-2	0	391.426	2.135	50	10		GECARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000005061435	204108401	/nfs/dbraw/zinc/10/84/01/204108401.db2.gz	UTYQNKLDCNFWCF-YBEGLDIGSA-N	-2	0	380.356	2.125	50	10		GECARL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000019877613	570227098	/nfs/dbraw/zinc/22/70/98/570227098.db2.gz	BBDJDZJPXQUAJO-IEMQHYRPSA-N	-2	0	396.424	2.370	50	10		GECARL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	ZINC000002590957	531502309	/nfs/dbraw/zinc/50/23/09/531502309.db2.gz	OCUBQNATRSMHHF-UHFFFAOYSA-N	-2	0	375.189	2.211	50	10		GECARL
COc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000012577089	531552586	/nfs/dbraw/zinc/55/25/86/531552586.db2.gz	FWOUXDGZSTXGPT-HQQGHWSLSA-N	-2	0	381.431	2.214	50	10		GECARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000003641693	204017417	/nfs/dbraw/zinc/01/74/17/204017417.db2.gz	BEZOCJJRCCRLAY-KQDRGBMMSA-N	-2	0	376.415	2.297	50	10		GECARL
O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)SC1=S	ZINC000009189744	221073580	/nfs/dbraw/zinc/07/35/80/221073580.db2.gz	VZMWXSXQFSXPOZ-MDWZMJQESA-N	-2	0	388.426	2.461	50	10		GECARL
O=C([O-])c1ccc(Cl)c(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000019890089	570228137	/nfs/dbraw/zinc/22/81/37/570228137.db2.gz	CGBIHWFQCFXHLK-YRNVUSSQSA-N	-2	0	389.751	2.206	50	10		GECARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000001201190	570257681	/nfs/dbraw/zinc/25/76/81/570257681.db2.gz	XVHIIYOZOGMWPU-MHWRWJLKSA-N	-2	0	380.356	2.125	50	10		GECARL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000002289640	570281269	/nfs/dbraw/zinc/28/12/69/570281269.db2.gz	PUYWGECMOZMOFR-IWQAVIMZSA-N	-2	0	398.346	2.344	50	10		GECARL
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000017198399	570702053	/nfs/dbraw/zinc/70/20/53/570702053.db2.gz	NAOLPRRNKTWLBV-OQLLNIDSSA-N	-2	0	396.355	2.273	50	10		GECARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(F)cc2)C1=O	ZINC000015987943	570910702	/nfs/dbraw/zinc/91/07/02/570910702.db2.gz	ODFYKOUKULBIAM-BOPFTXTBSA-N	-2	0	378.363	2.487	50	10		GECARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000003641692	531511225	/nfs/dbraw/zinc/51/12/25/531511225.db2.gz	BEZOCJJRCCRLAY-FIJZOYEMSA-N	-2	0	376.415	2.297	50	10		GECARL
COc1cc([N-]S(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])cc1OC	ZINC000003617979	204015209	/nfs/dbraw/zinc/01/52/09/204015209.db2.gz	QJZSQKBHMOJUDH-UHFFFAOYSA-N	-2	0	395.418	2.208	50	10		GECARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000004704501	204066570	/nfs/dbraw/zinc/06/65/70/204066570.db2.gz	NBTVPWWGWRBKHB-JYRVWZFOSA-N	-2	0	397.343	2.366	50	10		GECARL
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016192701	570917075	/nfs/dbraw/zinc/91/70/75/570917075.db2.gz	KMJIUPXSIFLWHP-SDQBBNPISA-N	-2	0	389.751	2.424	50	10		GECARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000017046008	570937877	/nfs/dbraw/zinc/93/78/77/570937877.db2.gz	XVHIIYOZOGMWPU-YBEGLDIGSA-N	-2	0	380.356	2.329	50	10		GECARL
COc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000012577084	531553823	/nfs/dbraw/zinc/55/38/23/531553823.db2.gz	FWOUXDGZSTXGPT-LCFDYFRESA-N	-2	0	381.431	2.214	50	10		GECARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000100149917	136188946	/nfs/dbraw/zinc/18/89/46/136188946.db2.gz	IWYSGHMAFVVDAY-WISAJEAXSA-N	-2	0	388.383	2.235	50	10		GECARL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000002979657	136196531	/nfs/dbraw/zinc/19/65/31/136196531.db2.gz	NSYJFLXHJKPPMK-RVDMUPIBSA-N	-2	0	380.356	2.450	50	10		GECARL
COc1cccc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000032708006	570751610	/nfs/dbraw/zinc/75/16/10/570751610.db2.gz	OCXACWMMXKXENR-SERMCNLOSA-N	-2	0	381.431	2.214	50	10		GECARL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1Cl	ZINC000020254922	570250320	/nfs/dbraw/zinc/25/03/20/570250320.db2.gz	OKUPDWMROSDLKJ-KPKJPENVSA-N	-2	0	389.751	2.206	50	10		GECARL
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000004682230	204062706	/nfs/dbraw/zinc/06/27/06/204062706.db2.gz	UZKPSCQZZONACK-DHDCSXOGSA-N	-2	0	381.388	2.130	50	10		GECARL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000012381035	570649907	/nfs/dbraw/zinc/64/99/07/570649907.db2.gz	PUYWGECMOZMOFR-HKLRHMNMSA-N	-2	0	398.346	2.344	50	10		GECARL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000035657516	570405792	/nfs/dbraw/zinc/40/57/92/570405792.db2.gz	JSIXUEBBNASIFN-GDNBJRDFSA-N	-2	0	382.372	2.010	50	10		GECARL
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000208087609	570980878	/nfs/dbraw/zinc/98/08/78/570980878.db2.gz	SRXFPIJCISVZRP-LFYBBSHMSA-N	-2	0	389.751	2.424	50	10		GECARL
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000012414027	570656925	/nfs/dbraw/zinc/65/69/25/570656925.db2.gz	COLMXPPNIQTSDI-WJDWOHSUSA-N	-2	0	379.372	2.117	50	10		GECARL
Cn1cc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)c2ccccc21	ZINC000013786530	570790398	/nfs/dbraw/zinc/79/03/98/570790398.db2.gz	SFGNBDSMOGNYCR-UHJIQDEKSA-N	-2	0	390.442	2.307	50	10		GECARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1C	ZINC000101108371	570813177	/nfs/dbraw/zinc/81/31/77/570813177.db2.gz	OXLXDEWAQHQOJC-DHDCSXOGSA-N	-2	0	395.371	2.286	50	10		GECARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000004703333	570854081	/nfs/dbraw/zinc/85/40/81/570854081.db2.gz	NZIORINKVSYPHW-BOPFTXTBSA-N	-2	0	394.383	2.379	50	10		GECARL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002982365	570322418	/nfs/dbraw/zinc/32/24/18/570322418.db2.gz	GYTHIIOYUQWYCM-PILJQMSFSA-N	-2	0	380.356	2.205	50	10		GECARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	ZINC000003641696	531510738	/nfs/dbraw/zinc/51/07/38/531510738.db2.gz	BEZOCJJRCCRLAY-XYHYMSPGSA-N	-2	0	376.415	2.297	50	10		GECARL
COc1cccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000004356829	531513990	/nfs/dbraw/zinc/51/39/90/531513990.db2.gz	OCXACWMMXKXENR-HQQGHWSLSA-N	-2	0	381.431	2.214	50	10		GECARL
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000001514476	206385378	/nfs/dbraw/zinc/38/53/78/206385378.db2.gz	NAOLPRRNKTWLBV-DHDCSXOGSA-N	-2	0	396.355	2.068	50	10		GECARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000013569635	570759012	/nfs/dbraw/zinc/75/90/12/570759012.db2.gz	IWYSGHMAFVVDAY-WLSWZUKCSA-N	-2	0	388.383	2.235	50	10		GECARL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000019877611	207167460	/nfs/dbraw/zinc/16/74/60/207167460.db2.gz	BBDJDZJPXQUAJO-COOUDCDJSA-N	-2	0	396.424	2.370	50	10		GECARL
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1[O-]	ZINC000013546365	570757459	/nfs/dbraw/zinc/75/74/59/570757459.db2.gz	KLUJIZHTMCTPGF-RIYZIHGNSA-N	-2	0	397.343	2.284	50	10		GECARL
O=C([O-])CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000009259799	209820103	/nfs/dbraw/zinc/82/01/03/209820103.db2.gz	ZCWHJBLUXPBDRZ-WUXMJOGZSA-N	-2	0	390.735	2.276	50	10		GECARL
COc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000002451245	209365086	/nfs/dbraw/zinc/36/50/86/209365086.db2.gz	FWOUXDGZSTXGPT-OYGDSYQHSA-N	-2	0	381.431	2.214	50	10		GECARL
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1C(=O)[O-]	ZINC000002959786	536597319	/nfs/dbraw/zinc/59/73/19/536597319.db2.gz	ORCGMXQRBUZCST-XNTDXEJSSA-N	-2	0	380.356	2.368	50	10		GECARL
CCN1C(=O)[N-]C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1=O	ZINC000005781455	570670346	/nfs/dbraw/zinc/67/03/46/570670346.db2.gz	GCSDDPRIZUYDLR-YBEGLDIGSA-N	-2	0	381.388	2.274	50	10		GECARL
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000002425171	209364186	/nfs/dbraw/zinc/36/41/86/209364186.db2.gz	ZJNQDNDXLDERCT-NTEUORMPSA-N	-2	0	383.335	2.098	50	10		GECARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000003641695	531511584	/nfs/dbraw/zinc/51/15/84/531511584.db2.gz	BEZOCJJRCCRLAY-UMQYOCJBSA-N	-2	0	376.415	2.297	50	10		GECARL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002163230	209349034	/nfs/dbraw/zinc/34/90/34/209349034.db2.gz	BBDJDZJPXQUAJO-PILJQMSFSA-N	-2	0	396.424	2.370	50	10		GECARL
CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356839	211543467	/nfs/dbraw/zinc/54/34/67/211543467.db2.gz	HUBLCIGODYRRQY-ZWIPKHHJSA-N	-2	0	381.431	2.214	50	10		GECARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000100149919	136189049	/nfs/dbraw/zinc/18/90/49/136189049.db2.gz	IWYSGHMAFVVDAY-QRYYFKOISA-N	-2	0	388.383	2.235	50	10		GECARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000005033153	570401673	/nfs/dbraw/zinc/40/16/73/570401673.db2.gz	AWIBMSZVQYQRBY-RYPVXOHGSA-N	-2	0	391.426	2.135	50	10		GECARL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000004679681	570825795	/nfs/dbraw/zinc/82/57/95/570825795.db2.gz	XXABFUSNBHEXIS-JXMROGBWSA-N	-2	0	387.348	2.271	50	10		GECARL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000002289643	209354628	/nfs/dbraw/zinc/35/46/28/209354628.db2.gz	PUYWGECMOZMOFR-UXEDPAHQSA-N	-2	0	398.346	2.344	50	10		GECARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000001243580	209317355	/nfs/dbraw/zinc/31/73/55/209317355.db2.gz	NYVFGODZDZXCOJ-FMIVXFBMSA-N	-2	0	384.319	2.160	50	10		GECARL
COc1cccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000004356825	531513496	/nfs/dbraw/zinc/51/34/96/531513496.db2.gz	OCXACWMMXKXENR-LCFDYFRESA-N	-2	0	381.431	2.214	50	10		GECARL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000001175258	209310550	/nfs/dbraw/zinc/31/05/50/209310550.db2.gz	LVKQQODCQDEJII-DHDCSXOGSA-N	-2	0	381.388	2.192	50	10		GECARL
COc1cccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000020235133	210324472	/nfs/dbraw/zinc/32/44/72/210324472.db2.gz	WPEYCWDARRYKMF-GDNBJRDFSA-N	-2	0	397.412	2.137	50	10		GECARL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002982363	570322437	/nfs/dbraw/zinc/32/24/37/570322437.db2.gz	GYTHIIOYUQWYCM-JASJWYONSA-N	-2	0	380.356	2.205	50	10		GECARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1	ZINC000004614837	570387976	/nfs/dbraw/zinc/38/79/76/570387976.db2.gz	GZIRWJWGFUIHSH-MHWRWJLKSA-N	-2	0	394.383	2.433	50	10		GECARL
O=C([O-])CCNc1ccc(NCCC(=O)[O-])c2c1C(=O)c1ccccc1C2=O	ZINC000005124200	570421059	/nfs/dbraw/zinc/42/10/59/570421059.db2.gz	PANBVVFPWHIMKB-UHFFFAOYSA-N	-2	0	382.372	2.235	50	10		GECARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1	ZINC000004815221	571048446	/nfs/dbraw/zinc/04/84/46/571048446.db2.gz	FLLZYBZADVFSOX-GDNBJRDFSA-N	-2	0	380.356	2.125	50	10		GECARL
COc1ccccc1/C=C1\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000013759203	221288170	/nfs/dbraw/zinc/28/81/70/221288170.db2.gz	ALVTZVWDEIIUBH-UVIKPUKZSA-N	-2	0	381.431	2.214	50	10		GECARL
CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016225197	221359423	/nfs/dbraw/zinc/35/94/23/221359423.db2.gz	VYXXDUZYWJYCGC-ZSOIEALJSA-N	-2	0	383.360	2.469	50	10		GECARL
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000004704213	570395758	/nfs/dbraw/zinc/39/57/58/570395758.db2.gz	RMMPIRGNYXPNQL-UHFFFAOYSA-N	-2	0	387.779	2.195	50	10		GECARL
CCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004356842	531512905	/nfs/dbraw/zinc/51/29/05/531512905.db2.gz	HUBLCIGODYRRQY-HBZGRHIISA-N	-2	0	381.431	2.214	50	10		GECARL
COc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000002451242	220536267	/nfs/dbraw/zinc/53/62/67/220536267.db2.gz	FWOUXDGZSTXGPT-SERMCNLOSA-N	-2	0	381.431	2.214	50	10		GECARL
COc1ccccc1/C=C1\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C1=O	ZINC000013759204	221287906	/nfs/dbraw/zinc/28/79/06/221287906.db2.gz	ALVTZVWDEIIUBH-BKLZJWBFSA-N	-2	0	381.431	2.214	50	10		GECARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000020149529	136202470	/nfs/dbraw/zinc/20/24/70/136202470.db2.gz	VFCBDWMCDHIOSP-NTEUORMPSA-N	-2	0	382.328	2.362	50	10		GECARL
COc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000032708009	570392798	/nfs/dbraw/zinc/39/27/98/570392798.db2.gz	OCXACWMMXKXENR-OYGDSYQHSA-N	-2	0	381.431	2.214	50	10		GECARL
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000004808055	570996879	/nfs/dbraw/zinc/99/68/79/570996879.db2.gz	ZOAKYVKUDQKDDD-YBEGLDIGSA-N	-2	0	380.356	2.055	50	10		GECARL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000013546736	221271141	/nfs/dbraw/zinc/27/11/41/221271141.db2.gz	XXABFUSNBHEXIS-YFHOEESVSA-N	-2	0	387.348	2.271	50	10		GECARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1	ZINC000004704220	570395684	/nfs/dbraw/zinc/39/56/84/570395684.db2.gz	BYVBFVSDRRWPCS-WJDWOHSUSA-N	-2	0	394.383	2.379	50	10		GECARL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C	ZINC000004740058	570953789	/nfs/dbraw/zinc/95/37/89/570953789.db2.gz	NRPGORHCDBAHOG-OQLLNIDSSA-N	-2	0	383.429	2.171	50	10		GECARL
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1C(=O)[O-]	ZINC000015219847	136201831	/nfs/dbraw/zinc/20/18/31/136201831.db2.gz	QDKNBSRLGWQXRW-UVTDQMKNSA-N	-2	0	382.397	2.225	50	10		GECARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1C	ZINC000002304155	570281857	/nfs/dbraw/zinc/28/18/57/570281857.db2.gz	YIJUBEZFTZFFFE-LICLKQGHSA-N	-2	0	394.383	2.433	50	10		GECARL
O=C([O-])c1ccc(Cl)c(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000009324467	221077762	/nfs/dbraw/zinc/07/77/62/221077762.db2.gz	CGBIHWFQCFXHLK-XFFZJAGNSA-N	-2	0	389.751	2.206	50	10		GECARL
Cn1cc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)c2ccccc21	ZINC000013786528	221288882	/nfs/dbraw/zinc/28/88/82/221288882.db2.gz	SFGNBDSMOGNYCR-CHDKLRHSSA-N	-2	0	390.442	2.307	50	10		GECARL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015219849	136201803	/nfs/dbraw/zinc/20/18/03/136201803.db2.gz	GJOLGIMTAZPFKA-KPKJPENVSA-N	-2	0	399.384	2.140	50	10		GECARL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000002163225	570276757	/nfs/dbraw/zinc/27/67/57/570276757.db2.gz	BBDJDZJPXQUAJO-JASJWYONSA-N	-2	0	396.424	2.370	50	10		GECARL