smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000009850208	132330111	/nfs/dbraw/zinc/33/01/11/132330111.db2.gz	OSNNQSBIFFVNPX-CPNJWEJPSA-N	-2	0	429.432	3.459	50	10		IGCARL
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000033286097	527081710	/nfs/dbraw/zinc/08/17/10/527081710.db2.gz	XTNPEIFOTIXCLL-SDQBBNPISA-N	-2	0	438.621	3.178	50	10		IGCARL
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000006645253	536656695	/nfs/dbraw/zinc/65/66/95/536656695.db2.gz	VIRAPZWZFFLCRT-PDGQHHTCSA-N	-2	0	448.456	3.485	50	10		IGCARL
CCOc1cccc2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)nc21	ZINC000013730886	556295470	/nfs/dbraw/zinc/29/54/70/556295470.db2.gz	RBEZIAUSVSKIAW-LERPTODRSA-N	-2	0	446.506	3.153	50	10		IGCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000015013077	556484194	/nfs/dbraw/zinc/48/41/94/556484194.db2.gz	MAZWVTOALNSXKH-OQLLNIDSSA-N	-2	0	445.225	3.419	50	10		IGCARL
O=C([O-])CSc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1O	ZINC000006142956	562946340	/nfs/dbraw/zinc/94/63/40/562946340.db2.gz	NDBSDAMBGDKOBZ-UHFFFAOYSA-N	-2	0	434.451	3.431	50	10		IGCARL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(=O)[O-]	ZINC000010038291	132334241	/nfs/dbraw/zinc/33/42/41/132334241.db2.gz	OHFQISFDNRAWOW-GXDHUFHOSA-N	-2	0	428.828	3.412	50	10		IGCARL
O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1	ZINC000013638430	132352253	/nfs/dbraw/zinc/35/22/53/132352253.db2.gz	XUXXLGUXTCGTMM-YBEGLDIGSA-N	-2	0	446.371	3.040	50	10		IGCARL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000012382980	521946032	/nfs/dbraw/zinc/94/60/32/521946032.db2.gz	VHJQUCGLPAEXDL-NVNXTCNLSA-N	-2	0	425.397	3.099	50	10		IGCARL
O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000033307074	557086112	/nfs/dbraw/zinc/08/61/12/557086112.db2.gz	AUKJDHXQBVCPMO-ZROIWOOFSA-N	-2	0	445.225	3.419	50	10		IGCARL
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033489204	557401855	/nfs/dbraw/zinc/40/18/55/557401855.db2.gz	LDOVWSPMMVTVHH-DEDYPNTBSA-N	-2	0	444.443	3.434	50	10		IGCARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	ZINC000013551718	132349658	/nfs/dbraw/zinc/34/96/58/132349658.db2.gz	KWGMRAKEVZEMIX-MHWRWJLKSA-N	-2	0	446.371	3.040	50	10		IGCARL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	ZINC000003772391	555946384	/nfs/dbraw/zinc/94/63/84/555946384.db2.gz	GEJFKTJVNCKWAT-NTEUORMPSA-N	-2	0	439.880	3.211	50	10		IGCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000002978480	557134396	/nfs/dbraw/zinc/13/43/96/557134396.db2.gz	YIYLNPWGEAOCKM-OQLLNIDSSA-N	-2	0	428.828	3.032	50	10		IGCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013800587	132354507	/nfs/dbraw/zinc/35/45/07/132354507.db2.gz	CYZGFQFHPFPBCH-ZSOIEALJSA-N	-2	0	446.868	3.484	50	10		IGCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000012382981	521961855	/nfs/dbraw/zinc/96/18/55/521961855.db2.gz	VHJQUCGLPAEXDL-OVCLIPMQSA-N	-2	0	425.397	3.099	50	10		IGCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013546452	535658195	/nfs/dbraw/zinc/65/81/95/535658195.db2.gz	YONQTOOOMNPVSB-CXUHLZMHSA-N	-2	0	439.424	3.489	50	10		IGCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	ZINC000054360923	568940630	/nfs/dbraw/zinc/94/06/30/568940630.db2.gz	ACPBFURBTDCBJT-YFBAIUBQSA-N	-2	0	436.898	3.407	50	10		IGCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000002374909	132253311	/nfs/dbraw/zinc/25/33/11/132253311.db2.gz	CUGLMODKGGEERJ-LDADJPATSA-N	-2	0	432.388	3.320	50	10		IGCARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000002801857	132257484	/nfs/dbraw/zinc/25/74/84/132257484.db2.gz	AWLJPVPMQXVPMY-OVCLIPMQSA-N	-2	0	428.828	3.087	50	10		IGCARL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000002989128	132260260	/nfs/dbraw/zinc/26/02/60/132260260.db2.gz	IIMNLYQSKKPLHX-LDADJPATSA-N	-2	0	435.823	3.495	50	10		IGCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(-c4ccccc4)[n-]c3=O)C2=O)cc1	ZINC000008769621	132293785	/nfs/dbraw/zinc/29/37/85/132293785.db2.gz	ZCQHCXCDFBJFFX-CPNJWEJPSA-N	-2	0	432.436	3.379	50	10		IGCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000009265216	132311854	/nfs/dbraw/zinc/31/18/54/132311854.db2.gz	CQJXCJIGUCCCTQ-RGEXLXHISA-N	-2	0	429.432	3.404	50	10		IGCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000009310349	132313330	/nfs/dbraw/zinc/31/33/30/132313330.db2.gz	ODEHBDZZRAQFJU-LDADJPATSA-N	-2	0	432.388	3.320	50	10		IGCARL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1	ZINC000002264612	569216080	/nfs/dbraw/zinc/21/60/80/569216080.db2.gz	CJBBYGLSVYQHCY-FOWTUZBSSA-N	-2	0	435.436	3.146	50	10		IGCARL
CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000009518811	569544182	/nfs/dbraw/zinc/54/41/82/569544182.db2.gz	FJMVLSCPMNQWGU-CDCQXCROSA-N	-2	0	439.511	3.003	50	10		IGCARL
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000002873516	536657223	/nfs/dbraw/zinc/65/72/23/536657223.db2.gz	VIRAPZWZFFLCRT-LDADJPATSA-N	-2	0	448.456	3.485	50	10		IGCARL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009265164	556270615	/nfs/dbraw/zinc/27/06/15/556270615.db2.gz	HCWPJFWOJXXEJQ-ODLFYWEKSA-N	-2	0	433.420	3.047	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000033155151	556878717	/nfs/dbraw/zinc/87/87/17/556878717.db2.gz	PLZLDMPGHCIAIT-LICLKQGHSA-N	-2	0	435.461	3.406	50	10		IGCARL
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000027501275	563042440	/nfs/dbraw/zinc/04/24/40/563042440.db2.gz	OYSVWFBEXPCQGO-XGICHPGQSA-N	-2	0	431.788	3.467	50	10		IGCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000004092117	132269511	/nfs/dbraw/zinc/26/95/11/132269511.db2.gz	CQJXCJIGUCCCTQ-XMHGGMMESA-N	-2	0	429.432	3.404	50	10		IGCARL
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000008430325	132281631	/nfs/dbraw/zinc/28/16/31/132281631.db2.gz	RIWKIDNYOWDHJH-VBKFSLOCSA-N	-2	0	448.456	3.485	50	10		IGCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000008914328	132298045	/nfs/dbraw/zinc/29/80/45/132298045.db2.gz	YMVYXJLYTZQKBH-MDWZMJQESA-N	-2	0	445.225	3.419	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002594493	536659738	/nfs/dbraw/zinc/65/97/38/536659738.db2.gz	WXTNXATVJGBGSQ-ZSAINHDTSA-N	-2	0	426.450	3.219	50	10		IGCARL
CCOc1ccc(C(=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000015799847	557464014	/nfs/dbraw/zinc/46/40/14/557464014.db2.gz	XJWOXDUPNULLBT-OQLLNIDSSA-N	-2	0	425.353	3.198	50	10		IGCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000009265219	132311846	/nfs/dbraw/zinc/31/18/46/132311846.db2.gz	NYKQPWPQGXWDQH-MOSHPQCFSA-N	-2	0	429.432	3.459	50	10		IGCARL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000012342311	526359840	/nfs/dbraw/zinc/35/98/40/526359840.db2.gz	GNSZLFIBKBBJTB-LDADJPATSA-N	-2	0	435.436	3.146	50	10		IGCARL
O=C([O-])COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000033456005	557399306	/nfs/dbraw/zinc/39/93/06/557399306.db2.gz	KNTZZNIYPGLFNM-AUWJEWJLSA-N	-2	0	445.771	3.218	50	10		IGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000013550622	132349540	/nfs/dbraw/zinc/34/95/40/132349540.db2.gz	QHKWERGKKORRBD-FDIDWWNZSA-N	-2	0	438.896	3.053	50	10		IGCARL
O=C([O-])CCCCCCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000020443151	527578116	/nfs/dbraw/zinc/57/81/16/527578116.db2.gz	HVWORGHCDZXKAQ-SDXDJHTJSA-N	-2	0	433.480	3.478	50	10		IGCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000009601281	132322889	/nfs/dbraw/zinc/32/28/89/132322889.db2.gz	OBZFKRCINGLCKK-XSFVSMFZSA-N	-2	0	445.431	3.241	50	10		IGCARL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000009908219	132331597	/nfs/dbraw/zinc/33/15/97/132331597.db2.gz	ZXHQEVGYBXDHQK-OVCLIPMQSA-N	-2	0	444.896	3.252	50	10		IGCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000002726747	132256779	/nfs/dbraw/zinc/25/67/79/132256779.db2.gz	ASRJCTHQUQOYBR-AWNIVKPZSA-N	-2	0	435.219	3.123	50	10		IGCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000002903963	132258405	/nfs/dbraw/zinc/25/84/05/132258405.db2.gz	OYMCNKQDRIPCQD-AWNIVKPZSA-N	-2	0	449.246	3.432	50	10		IGCARL
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000009259374	132311452	/nfs/dbraw/zinc/31/14/52/132311452.db2.gz	ZXHQEVGYBXDHQK-NVNXTCNLSA-N	-2	0	444.896	3.252	50	10		IGCARL
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000002067082	555733654	/nfs/dbraw/zinc/73/36/54/555733654.db2.gz	XTNPEIFOTIXCLL-WUXMJOGZSA-N	-2	0	438.621	3.178	50	10		IGCARL
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000575443528	568869647	/nfs/dbraw/zinc/86/96/47/568869647.db2.gz	WOUVXSMBKFKISR-ATVHPVEESA-N	-2	0	438.436	3.239	50	10		IGCARL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000008660998	569469768	/nfs/dbraw/zinc/46/97/68/569469768.db2.gz	XFCYMKYZBASCEO-IZZDOVSWSA-N	-2	0	438.075	3.379	50	10		IGCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1C	ZINC000009322163	556280989	/nfs/dbraw/zinc/28/09/89/556280989.db2.gz	GQYYPVLOAFVKLI-OVCLIPMQSA-N	-2	0	428.828	3.087	50	10		IGCARL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	ZINC000002301981	132251638	/nfs/dbraw/zinc/25/16/38/132251638.db2.gz	KWGMRAKEVZEMIX-YBEGLDIGSA-N	-2	0	446.371	3.040	50	10		IGCARL
Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)c(C)c1	ZINC000009262628	132311504	/nfs/dbraw/zinc/31/15/04/132311504.db2.gz	FFHIGMAYHJHQHL-YVLHZVERSA-N	-2	0	433.489	3.174	50	10		IGCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000009851582	132330298	/nfs/dbraw/zinc/33/02/98/132330298.db2.gz	NYKQPWPQGXWDQH-DEDYPNTBSA-N	-2	0	429.432	3.459	50	10		IGCARL
O=C([O-])COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000016246743	557471360	/nfs/dbraw/zinc/47/13/60/557471360.db2.gz	AUKJDHXQBVCPMO-NTEUORMPSA-N	-2	0	445.225	3.419	50	10		IGCARL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002261662	132250695	/nfs/dbraw/zinc/25/06/95/132250695.db2.gz	MEVWASZAEAZSCU-WIWNTQSISA-N	-2	0	430.869	3.023	50	10		IGCARL
CCOc1ccc(C(=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000013895900	132355423	/nfs/dbraw/zinc/35/54/23/132355423.db2.gz	XJWOXDUPNULLBT-DHDCSXOGSA-N	-2	0	425.353	3.198	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002594491	536659996	/nfs/dbraw/zinc/65/99/96/536659996.db2.gz	WXTNXATVJGBGSQ-UEMWTREESA-N	-2	0	426.450	3.219	50	10		IGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000013633983	556540146	/nfs/dbraw/zinc/54/01/46/556540146.db2.gz	ARCCMIBPDOTEGX-BOPFTXTBSA-N	-2	0	439.269	3.110	50	10		IGCARL
O=C([O-])COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000020149511	557516555	/nfs/dbraw/zinc/51/65/55/557516555.db2.gz	KNTZZNIYPGLFNM-VGOFMYFVSA-N	-2	0	445.771	3.218	50	10		IGCARL
O=C([O-])CSc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2c1O	ZINC000001926256	562925463	/nfs/dbraw/zinc/92/54/63/562925463.db2.gz	CIERPRDYPKVDJO-UHFFFAOYSA-N	-2	0	433.463	3.221	50	10		IGCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	ZINC000009547480	569546377	/nfs/dbraw/zinc/54/63/77/569546377.db2.gz	ACPBFURBTDCBJT-OXBCTQFSSA-N	-2	0	436.898	3.407	50	10		IGCARL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000009908232	132331639	/nfs/dbraw/zinc/33/16/39/132331639.db2.gz	ZCDQDGGCTRDRGF-FOWTUZBSSA-N	-2	0	435.436	3.146	50	10		IGCARL
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000009934881	536657075	/nfs/dbraw/zinc/65/70/75/536657075.db2.gz	BLAPAQUJTDHBTK-CPNJWEJPSA-N	-2	0	447.472	3.015	50	10		IGCARL
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])c2cccc(O)c2C1=O	ZINC000257347523	569263093	/nfs/dbraw/zinc/26/30/93/569263093.db2.gz	KDPMZCPWKPCERU-UHFFFAOYSA-N	-2	0	438.439	3.468	50	10		IGCARL
COc1ccc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)nn1	ZINC000100011839	557237239	/nfs/dbraw/zinc/23/72/39/557237239.db2.gz	YFUATOCFMCWUEH-VXPUYCOJSA-N	-2	0	429.414	3.105	50	10		IGCARL
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000096258758	569388061	/nfs/dbraw/zinc/38/80/61/569388061.db2.gz	KHZMDDHEBQSUEZ-VCHYOVAHSA-N	-2	0	433.489	3.174	50	10		IGCARL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000002302031	132251622	/nfs/dbraw/zinc/25/16/22/132251622.db2.gz	YBAUIRPTPBNZTF-WUXMJOGZSA-N	-2	0	435.219	3.123	50	10		IGCARL
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000009189391	556252308	/nfs/dbraw/zinc/25/23/08/556252308.db2.gz	CCDVDNXWSGRUMK-GDNBJRDFSA-N	-2	0	439.511	3.005	50	10		IGCARL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000016694896	556628280	/nfs/dbraw/zinc/62/82/80/556628280.db2.gz	HVZXQGGDSDUAQD-DWKHYPNZSA-N	-2	0	447.490	3.474	50	10		IGCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000019996818	569332221	/nfs/dbraw/zinc/33/22/21/569332221.db2.gz	UEGOUZZRDYCFPF-DHDCSXOGSA-N	-2	0	426.450	3.139	50	10		IGCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000001240187	132240624	/nfs/dbraw/zinc/24/06/24/132240624.db2.gz	TWDQICCURIEFDH-ZROIWOOFSA-N	-2	0	445.225	3.419	50	10		IGCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000002776248	132257064	/nfs/dbraw/zinc/25/70/64/132257064.db2.gz	UDVQTQWYQCNGTG-LDADJPATSA-N	-2	0	432.388	3.320	50	10		IGCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009265215	536184091	/nfs/dbraw/zinc/18/40/91/536184091.db2.gz	SFNZLKCSYWRNLZ-ZHZULCJRSA-N	-2	0	429.432	3.404	50	10		IGCARL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073884	569309100	/nfs/dbraw/zinc/30/91/00/569309100.db2.gz	HVZXQGGDSDUAQD-FBKCMUNRSA-N	-2	0	447.490	3.474	50	10		IGCARL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002261660	132250452	/nfs/dbraw/zinc/25/04/52/132250452.db2.gz	MEVWASZAEAZSCU-RCEBRVLHSA-N	-2	0	430.869	3.023	50	10		IGCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000002982594	132260035	/nfs/dbraw/zinc/26/00/35/132260035.db2.gz	OFZKRKYIFKQMST-RIYZIHGNSA-N	-2	0	444.896	3.252	50	10		IGCARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000009234444	132310306	/nfs/dbraw/zinc/31/03/06/132310306.db2.gz	XSCGNRRJLSGRTN-BOPFTXTBSA-N	-3	0	446.371	3.009	50	10		IGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000014011011	132355783	/nfs/dbraw/zinc/35/57/83/132355783.db2.gz	GUDPBJAHALBPHM-FDIDWWNZSA-N	-2	0	436.855	3.197	50	10		IGCARL
CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000012140504	520855870	/nfs/dbraw/zinc/85/58/70/520855870.db2.gz	FJMVLSCPMNQWGU-ZENNRRHLSA-N	-2	0	439.511	3.003	50	10		IGCARL
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000001777278	555714359	/nfs/dbraw/zinc/71/43/59/555714359.db2.gz	YRIIEBJDRSMHQP-AUWJEWJLSA-N	-2	0	432.435	3.413	50	10		IGCARL
COc1ccc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)nn1	ZINC000003917759	555951227	/nfs/dbraw/zinc/95/12/27/555951227.db2.gz	YFUATOCFMCWUEH-FMQUCBEESA-N	-2	0	429.414	3.105	50	10	in-man	IGCARL
CCOc1cccc2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)nc21	ZINC000013730889	556295438	/nfs/dbraw/zinc/29/54/38/556295438.db2.gz	RBEZIAUSVSKIAW-QQFZQELXSA-N	-2	0	446.506	3.153	50	10		IGCARL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073886	569309071	/nfs/dbraw/zinc/30/90/71/569309071.db2.gz	HVZXQGGDSDUAQD-KWZJRMENSA-N	-2	0	447.490	3.474	50	10		IGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000009259959	132311458	/nfs/dbraw/zinc/31/14/58/132311458.db2.gz	GUDPBJAHALBPHM-FEEIMYBTSA-N	-2	0	436.855	3.197	50	10		IGCARL
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000001116091	522078955	/nfs/dbraw/zinc/07/89/55/522078955.db2.gz	XCJLCDKUYGSXQI-WUXMJOGZSA-N	-2	0	435.219	3.152	50	10		IGCARL
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000012363405	524533375	/nfs/dbraw/zinc/53/33/75/524533375.db2.gz	ROAVLEGPJJGNBH-GHRIWEEISA-N	-2	0	447.472	3.015	50	10		IGCARL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000016694895	556628199	/nfs/dbraw/zinc/62/81/99/556628199.db2.gz	HVZXQGGDSDUAQD-KNGSKEOJSA-N	-2	0	447.490	3.474	50	10		IGCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000016246734	557471369	/nfs/dbraw/zinc/47/13/69/557471369.db2.gz	YAFXYFSWFITJGU-AWNIVKPZSA-N	-2	0	446.799	3.024	50	10		IGCARL
O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1cccc2nsnc21	ZINC000019079781	568640615	/nfs/dbraw/zinc/64/06/15/568640615.db2.gz	UOICFALOGBILBJ-UHFFFAOYSA-N	-2	0	446.535	3.293	50	10		IGCARL
CN1C(=O)[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000096475864	569400903	/nfs/dbraw/zinc/40/09/03/569400903.db2.gz	QMRVMDUHGBIMQJ-AWNIVKPZSA-N	-2	0	449.246	3.362	50	10		IGCARL
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000002057471	132247642	/nfs/dbraw/zinc/24/76/42/132247642.db2.gz	RKPDHNMMQZBGGG-CPNJWEJPSA-N	-2	0	431.473	3.315	50	10		IGCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000002726766	132256755	/nfs/dbraw/zinc/25/67/55/132256755.db2.gz	PFZZOXMIFHCHOO-NTEUORMPSA-N	-2	0	428.828	3.032	50	10		IGCARL
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000006492066	568926790	/nfs/dbraw/zinc/92/67/90/568926790.db2.gz	PUASOJJDIPBYFV-UYRXBGFRSA-N	-2	0	446.415	3.283	50	10		IGCARL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1Br	ZINC000002943686	132259377	/nfs/dbraw/zinc/25/93/77/132259377.db2.gz	UAOZTDSWGJHBAI-NTEUORMPSA-N	-2	0	429.226	3.122	50	10		IGCARL
Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000009260427	132311586	/nfs/dbraw/zinc/31/15/86/132311586.db2.gz	RKPDHNMMQZBGGG-UYRXBGFRSA-N	-2	0	431.473	3.315	50	10		IGCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009850797	536184111	/nfs/dbraw/zinc/18/41/11/536184111.db2.gz	SFNZLKCSYWRNLZ-XSFVSMFZSA-N	-2	0	429.432	3.404	50	10		IGCARL
O=C([O-])CCCCCCCCCCNC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000100723191	556657573	/nfs/dbraw/zinc/65/75/73/556657573.db2.gz	SOVVROFKTLWNCQ-MNDPQUGUSA-N	-2	0	429.517	3.334	50	10		IGCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000013800268	132354539	/nfs/dbraw/zinc/35/45/39/132354539.db2.gz	YMVYXJLYTZQKBH-JYRVWZFOSA-N	-2	0	445.225	3.419	50	10		IGCARL
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)c(C)c1	ZINC000002144341	132248245	/nfs/dbraw/zinc/24/82/45/132248245.db2.gz	FFHIGMAYHJHQHL-LICLKQGHSA-N	-2	0	433.489	3.174	50	10		IGCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1C	ZINC000002726729	132256736	/nfs/dbraw/zinc/25/67/36/132256736.db2.gz	WIMIISGUXFCWMV-RIYZIHGNSA-N	-2	0	428.828	3.087	50	10		IGCARL
CN1C(=O)[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000009311139	556279258	/nfs/dbraw/zinc/27/92/58/556279258.db2.gz	QMRVMDUHGBIMQJ-MLPAPPSSSA-N	-2	0	449.246	3.362	50	10		IGCARL
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013522328	556512132	/nfs/dbraw/zinc/51/21/32/556512132.db2.gz	VUCLFWSFUQONIV-ODLFYWEKSA-N	-2	0	433.420	3.047	50	10		IGCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000033456301	557399274	/nfs/dbraw/zinc/39/92/74/557399274.db2.gz	YAFXYFSWFITJGU-MLPAPPSSSA-N	-2	0	446.799	3.024	50	10		IGCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	ZINC000054360922	568940685	/nfs/dbraw/zinc/94/06/85/568940685.db2.gz	ACPBFURBTDCBJT-OEMOTLHWSA-N	-2	0	436.898	3.407	50	10		IGCARL
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000002399539	132253765	/nfs/dbraw/zinc/25/37/65/132253765.db2.gz	NZZMKBBUWMSSOR-QGOAFFKASA-N	-2	0	431.473	3.315	50	10		IGCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000006795906	132279099	/nfs/dbraw/zinc/27/90/99/132279099.db2.gz	OFZKRKYIFKQMST-ZSOIEALJSA-N	-2	0	444.896	3.252	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3c(C)n(-c4ccccc4)[n-]c3=O)C(=O)[N-]C2=S)cc1	ZINC000008768425	536657808	/nfs/dbraw/zinc/65/78/08/536657808.db2.gz	JSAYAGXNYIBGCG-PDGQHHTCSA-N	-2	0	434.477	3.154	50	10		IGCARL
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1[O-]	ZINC000009259569	132311444	/nfs/dbraw/zinc/31/14/44/132311444.db2.gz	QNYKOYVLDHFKAP-SXGWCWSVSA-N	-2	0	425.397	3.099	50	10		IGCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000006574114	556095256	/nfs/dbraw/zinc/09/52/56/556095256.db2.gz	YIYLNPWGEAOCKM-DHDCSXOGSA-N	-2	0	428.828	3.032	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000020266741	557004738	/nfs/dbraw/zinc/00/47/38/557004738.db2.gz	PLZLDMPGHCIAIT-YVLHZVERSA-N	-2	0	435.461	3.406	50	10		IGCARL
O=C([O-])CN1C(=O)/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])SC1=S	ZINC000009296615	569520495	/nfs/dbraw/zinc/52/04/95/569520495.db2.gz	AYYZGBLLDDNXII-OQLLNIDSSA-N	-2	0	430.463	3.177	50	10		IGCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	ZINC000009547482	569546386	/nfs/dbraw/zinc/54/63/86/569546386.db2.gz	ACPBFURBTDCBJT-FMNNIJNLSA-N	-2	0	436.898	3.407	50	10		IGCARL
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1O	ZINC000033406169	557334495	/nfs/dbraw/zinc/33/44/95/557334495.db2.gz	RLKYWCSIOPUTBW-ONNFQVAWSA-N	-2	0	441.640	3.417	50	10		IGCARL
COc1ccc(N2C(=O)C(=Cc3c(C)n(-c4ccccc4)[n-]c3=O)C(=O)[N-]C2=S)cc1	ZINC000002305332	569271712	/nfs/dbraw/zinc/27/17/12/569271712.db2.gz	JSAYAGXNYIBGCG-LDADJPATSA-N	-2	0	434.477	3.154	50	10		IGCARL
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000002366067	132253100	/nfs/dbraw/zinc/25/31/00/132253100.db2.gz	GNSZLFIBKBBJTB-PDGQHHTCSA-N	-2	0	435.436	3.146	50	10		IGCARL
O=C([O-])c1ccc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000002903820	555860889	/nfs/dbraw/zinc/86/08/89/555860889.db2.gz	NQOFIAXXUFWNHZ-UHFFFAOYSA-N	-2	0	435.219	3.020	50	10		IGCARL
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)c1C	ZINC000009264472	132311706	/nfs/dbraw/zinc/31/17/06/132311706.db2.gz	IULTZIQLDPEFIU-LICLKQGHSA-N	-2	0	433.489	3.174	50	10		IGCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000100195315	557247045	/nfs/dbraw/zinc/24/70/45/557247045.db2.gz	QHKWERGKKORRBD-FEEIMYBTSA-N	-2	0	438.896	3.053	50	10		IGCARL