smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)cc1	ZINC000012116011	519730377	/nfs/dbraw/zinc/73/03/77/519730377.db2.gz	QDEDIQZNRJBYMV-CYBMUJFWSA-N	-1	1	426.520	1.340	40	0		IDABMM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[n-]ncc3S(C)(=O)=O)C2)cc1	ZINC000012116011	519730381	/nfs/dbraw/zinc/73/03/81/519730381.db2.gz	QDEDIQZNRJBYMV-CYBMUJFWSA-N	-1	1	426.520	1.340	40	0		IDABMM
CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000072335918	525281351	/nfs/dbraw/zinc/28/13/51/525281351.db2.gz	OZHRHWWOZCGNIK-UHFFFAOYSA-N	-1	1	445.545	1.991	40	0		IDABMM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1OC	ZINC000408585041	555935350	/nfs/dbraw/zinc/93/53/50/555935350.db2.gz	AZGCGRFSPPGPJW-UHFFFAOYSA-N	-1	1	429.476	1.712	40	0		IDABMM
COC(=O)COc1c(Br)cc(/C=C2\NC(=O)[N-]C2=O)cc1Br	ZINC000015012868	556484192	/nfs/dbraw/zinc/48/41/92/556484192.db2.gz	YEGSUKPRYDRGMM-WTKPLQERSA-N	-1	1	434.040	1.944	40	0		IDABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000137293058	556695547	/nfs/dbraw/zinc/69/55/47/556695547.db2.gz	TUOJFIJEKIFMSS-UHFFFAOYSA-N	-1	1	439.559	1.822	40	0		IDABMM
Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019234426	556718512	/nfs/dbraw/zinc/71/85/12/556718512.db2.gz	ACBOMLXIFYPFGN-GOSISDBHSA-N	-1	1	430.530	1.763	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019451080	556761857	/nfs/dbraw/zinc/76/18/57/556761857.db2.gz	AZMNIRVMXVSWNK-GOSISDBHSA-N	-1	1	445.545	1.629	40	0		IDABMM
CCOC(=O)c1cccc(NC(=O)CN2C(=O)SC(=C3SC(=O)[N-]C3=O)C2=O)c1	ZINC000065090548	556832350	/nfs/dbraw/zinc/83/23/50/556832350.db2.gz	JOZGCWJIUYLHPY-VAWYXSNFSA-N	-1	1	435.439	1.692	40	0		IDABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(C(=O)OC)cc(C(=O)OC)c3)cc2oc1=O	ZINC000019936858	556951357	/nfs/dbraw/zinc/95/13/57/556951357.db2.gz	DAXVSFXSEIHOPA-UHFFFAOYSA-N	-1	1	434.426	1.988	40	0		IDABMM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	ZINC000223280201	557455335	/nfs/dbraw/zinc/45/53/35/557455335.db2.gz	FMHTYMMIADYQHB-UHFFFAOYSA-N	-1	1	436.442	1.185	40	0		IDABMM
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21	ZINC000111135660	557534246	/nfs/dbraw/zinc/53/42/46/557534246.db2.gz	HWGRLIABNDIXHU-UHFFFAOYSA-N	-1	1	428.207	1.976	40	0		IDABMM
CN(C)CCNc1nc(-c2cccnc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000329017948	569582886	/nfs/dbraw/zinc/58/28/86/569582886.db2.gz	NOCGRLNQEFAWOD-UHFFFAOYSA-N	-1	1	429.506	2.198	40	0		IDABMM
CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1	ZINC000022610392	523988054	/nfs/dbraw/zinc/98/80/54/523988054.db2.gz	MVQDKMSEDZSPSD-OAHLLOKOSA-N	-1	1	438.488	1.099	40	0		IDABMM
CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2cncc([O-])c2)CC1	ZINC000012133272	525281963	/nfs/dbraw/zinc/28/19/63/525281963.db2.gz	LVADFRMBCLQKAQ-UHFFFAOYSA-N	-1	1	431.518	1.601	40	0		IDABMM
COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O	ZINC000408548260	555803124	/nfs/dbraw/zinc/80/31/24/555803124.db2.gz	FHJWEUFXHNBCFT-YCRREMRBSA-N	-1	1	436.589	1.716	40	0		IDABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC	ZINC000013680151	556556426	/nfs/dbraw/zinc/55/64/26/556556426.db2.gz	FWLHATZDWLJNIH-UHFFFAOYSA-N	-1	1	436.442	1.429	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCOC3)[n-]c(=O)c2C1	ZINC000019239460	556724779	/nfs/dbraw/zinc/72/47/79/556724779.db2.gz	WEZPOXPPKBVNTH-BEFAXECRSA-N	-1	1	437.500	1.372	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019239457	556724808	/nfs/dbraw/zinc/72/48/08/556724808.db2.gz	QCJXTQCSSSDMIU-MOPGFXCFSA-N	-1	1	437.500	1.514	40	0		IDABMM
COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2	ZINC000019239471	556724988	/nfs/dbraw/zinc/72/49/88/556724988.db2.gz	GFBMIKAXIVXRIG-GOSISDBHSA-N	-1	1	425.489	1.372	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cnccn3)[n-]c(=O)c2C1	ZINC000019342815	556740686	/nfs/dbraw/zinc/74/06/86/556740686.db2.gz	FMIJTPCDPISOKU-INIZCTEOSA-N	-1	1	436.497	1.797	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019520416	556776750	/nfs/dbraw/zinc/77/67/50/556776750.db2.gz	IMBWCGHKTGGFFY-QGZVFWFLSA-N	-1	1	431.518	1.240	40	0		IDABMM
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408918394	556891533	/nfs/dbraw/zinc/89/15/33/556891533.db2.gz	JYCYJZDTICJINF-RUDMXATFSA-N	-1	1	432.170	1.334	40	0		IDABMM
NC(=O)c1ccc(-c2ccc3c(c2)C2(CCN(C(=O)Cc4nn[n-]n4)CC2)C(=O)N3)cc1	ZINC000096268507	557193579	/nfs/dbraw/zinc/19/35/79/557193579.db2.gz	FEDJZMACCUFVOT-UHFFFAOYSA-N	-1	1	431.456	1.021	40	0		IDABMM
CCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CN(C)C)[n-]n3c(=O)c2C1	ZINC000100234722	557253666	/nfs/dbraw/zinc/25/36/66/557253666.db2.gz	CMUXLLKAPZVXKN-GOSISDBHSA-N	-1	1	428.537	1.735	40	0		IDABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(S(=O)(=O)N(C)C)ccc3C)cc2oc1=O	ZINC000223033711	557418690	/nfs/dbraw/zinc/41/86/90/557418690.db2.gz	STVHTCBIKMUOQE-UHFFFAOYSA-N	-1	1	439.515	1.974	40	0		IDABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C	ZINC000223824912	557517628	/nfs/dbraw/zinc/51/76/28/557517628.db2.gz	BNJGLOWAPDIFBH-UHFFFAOYSA-N	-1	1	431.514	1.970	40	0		IDABMM
Cc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575419904	568863233	/nfs/dbraw/zinc/86/32/33/568863233.db2.gz	AKUNEWOUAKRQOH-MNOVXSKESA-N	-1	1	444.793	1.933	40	0		IDABMM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575422096	568863537	/nfs/dbraw/zinc/86/35/37/568863537.db2.gz	MEOAWNKAIDYAJI-HZPDHXFCSA-N	-1	1	426.516	1.374	40	0		IDABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000022610221	521047754	/nfs/dbraw/zinc/04/77/54/521047754.db2.gz	CYPOBJFUGCLTMM-CQSZACIVSA-N	-1	1	439.472	1.842	40	0		IDABMM
COc1ccc(CC(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CCN3CCN(C(C)=O)CC3)C2)cc1	ZINC000020463236	523896491	/nfs/dbraw/zinc/89/64/91/523896491.db2.gz	BEOJRMDQIMAUDB-SFTDATJTSA-N	-1	1	445.560	1.731	40	0	biogenic,in-vitro	IDABMM
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1	ZINC000022610503	524156542	/nfs/dbraw/zinc/15/65/42/524156542.db2.gz	HJWWMICIZQYCEM-AWEZNQCLSA-N	-1	1	438.488	1.153	40	0		IDABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1	ZINC000010112237	556325899	/nfs/dbraw/zinc/32/58/99/556325899.db2.gz	YKLRMOJDDCBFMI-UHFFFAOYSA-N	-1	1	434.470	1.755	40	0		IDABMM
O=C(C[P@@](=O)([O-])O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000031750006	556526112	/nfs/dbraw/zinc/52/61/12/556526112.db2.gz	FKUGSGPZQIDQDT-KRWDZBQOSA-N	-1	1	435.369	1.526	40	0		IDABMM
CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000044883275	556674493	/nfs/dbraw/zinc/67/44/93/556674493.db2.gz	XAMZJODODITEGT-UHFFFAOYSA-N	-1	1	447.498	1.901	40	0		IDABMM
Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019237089	556722124	/nfs/dbraw/zinc/72/21/24/556722124.db2.gz	IPOPYSKNZISOBM-LJQANCHMSA-N	-1	1	444.557	1.692	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCOC3)[n-]c(=O)c2C1	ZINC000019239462	556724697	/nfs/dbraw/zinc/72/46/97/556724697.db2.gz	WEZPOXPPKBVNTH-KXBFYZLASA-N	-1	1	437.500	1.372	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019239456	556724812	/nfs/dbraw/zinc/72/48/12/556724812.db2.gz	QCJXTQCSSSDMIU-OALUTQOASA-N	-1	1	437.500	1.514	40	0		IDABMM
COc1cc(CC(=O)N2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)cc(OC)c1OC	ZINC000019549644	556794803	/nfs/dbraw/zinc/79/48/03/556794803.db2.gz	ILONUCDLUUGGPD-UHFFFAOYSA-N	-1	1	428.489	1.523	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1N1CCCC1=O	ZINC000020112205	556986552	/nfs/dbraw/zinc/98/65/52/556986552.db2.gz	UHQRNHLGAAGWHX-UHFFFAOYSA-N	-1	1	430.486	1.813	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(=O)N1CCOCC1	ZINC000024614025	557156065	/nfs/dbraw/zinc/15/60/65/557156065.db2.gz	OLZVZQBMQIKBOL-UHFFFAOYSA-N	-1	1	433.486	1.927	40	0		IDABMM
CCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CN(C)C)[n-]n3c(=O)c2C1	ZINC000100234718	557253646	/nfs/dbraw/zinc/25/36/46/557253646.db2.gz	CMUXLLKAPZVXKN-SFHVURJKSA-N	-1	1	428.537	1.735	40	0		IDABMM
C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3c([O-])n(C)c(=O)n(C)c3=O)cc2N1	ZINC000100728735	557271939	/nfs/dbraw/zinc/27/19/39/557271939.db2.gz	HRKKTOJKLWQFIQ-LERXQTSPSA-N	-1	1	442.442	1.994	40	0		IDABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000139092004	569254590	/nfs/dbraw/zinc/25/45/90/569254590.db2.gz	CAZRPQLNBNMHIP-DGCLKSJQSA-N	-1	1	425.445	1.942	40	0		IDABMM
COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CCN3CCN(C(C)=O)CC3)C2)cc1	ZINC000020463253	523659812	/nfs/dbraw/zinc/65/98/12/523659812.db2.gz	ODQVZSIOVDUBSV-PMACEKPBSA-N	-1	1	431.533	1.802	40	0	biogenic,in-vitro	IDABMM
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828341	556620434	/nfs/dbraw/zinc/62/04/34/556620434.db2.gz	KIDOQXBZHPHDAE-AWEZNQCLSA-N	-1	1	425.445	1.611	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019342803	556740742	/nfs/dbraw/zinc/74/07/42/556740742.db2.gz	KUCLDZMMXYEUBX-JKSUJKDBSA-N	-1	1	428.514	1.872	40	0		IDABMM
COc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019568740	556808693	/nfs/dbraw/zinc/80/86/93/556808693.db2.gz	MNMBSQDKAHQFNT-QGZVFWFLSA-N	-1	1	446.529	1.464	40	0		IDABMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc([C@@H]4CCc5nncn5C4)cc3)cc2n(C)c1=O	ZINC000019699172	556858417	/nfs/dbraw/zinc/85/84/17/556858417.db2.gz	MYCQTKRXYYAZQU-OAHLLOKOSA-N	-1	1	438.513	1.999	40	0		IDABMM
COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)CSCC(=O)[O-])n2)cc1	ZINC000015675983	560094872	/nfs/dbraw/zinc/09/48/72/560094872.db2.gz	ASTXRSFUTCCRCW-HNNXBMFYSA-N	-1	1	429.458	1.912	40	0	biogenic,in-vitro	IDABMM
O=C([N-][C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000575422726	568863986	/nfs/dbraw/zinc/86/39/86/568863986.db2.gz	VXSLZHJNPODFBD-ZJUUUORDSA-N	-1	1	430.766	1.625	40	0		IDABMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000020463256	519586647	/nfs/dbraw/zinc/58/66/47/519586647.db2.gz	FYFSLVMZRMULNM-SFTDATJTSA-N	-1	1	444.576	1.860	40	0	biogenic,in-vitro	IDABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c(C)c1	ZINC000022610531	525198563	/nfs/dbraw/zinc/19/85/63/525198563.db2.gz	DJKKNMCSYQJLJG-CQSZACIVSA-N	-1	1	438.488	1.153	40	0		IDABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)c1	ZINC000408612008	555977316	/nfs/dbraw/zinc/97/73/16/555977316.db2.gz	XVZUYIKQQYVNLE-UHFFFAOYSA-N	-1	1	447.513	1.599	40	0		IDABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1	ZINC000408693011	556092731	/nfs/dbraw/zinc/09/27/31/556092731.db2.gz	BAXKBXGEXIQTFA-UHFFFAOYSA-N	-1	1	434.470	1.755	40	0		IDABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1NC(=O)CC	ZINC000408697113	556100845	/nfs/dbraw/zinc/10/08/45/556100845.db2.gz	HNBVWWRUXZNZAF-UHFFFAOYSA-N	-1	1	427.504	1.882	40	0		IDABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2[nH]c1=O	ZINC000013582095	556528345	/nfs/dbraw/zinc/52/83/45/556528345.db2.gz	MJGZPFVMANPCMX-UHFFFAOYSA-N	-1	1	443.222	1.622	40	0		IDABMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1	ZINC000040388852	556636617	/nfs/dbraw/zinc/63/66/17/556636617.db2.gz	IQTNHDJWZGEDLH-JSGCOSHPSA-N	-1	1	439.472	1.842	40	0		IDABMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1	ZINC000040388847	556636678	/nfs/dbraw/zinc/63/66/78/556636678.db2.gz	LMHXCPTYPCMWEG-YPMHNXCESA-N	-1	1	425.445	1.799	40	0		IDABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000040389081	556636933	/nfs/dbraw/zinc/63/69/33/556636933.db2.gz	CAZRPQLNBNMHIP-YPMHNXCESA-N	-1	1	425.445	1.942	40	0		IDABMM
Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)cc1	ZINC000019209765	556708816	/nfs/dbraw/zinc/70/88/16/556708816.db2.gz	KBDQQNUPNJBKMH-IBGZPJMESA-N	-1	1	444.557	1.692	40	0		IDABMM
Cc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019236782	556721387	/nfs/dbraw/zinc/72/13/87/556721387.db2.gz	OSBPNBBLZZBXGU-GOSISDBHSA-N	-1	1	430.530	1.763	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1	ZINC000019520415	556776389	/nfs/dbraw/zinc/77/63/89/556776389.db2.gz	IMBWCGHKTGGFFY-KRWDZBQOSA-N	-1	1	431.518	1.240	40	0		IDABMM
COc1cc(CC(=O)N2CCc3nc(N4CCCCC4)[n-]c(=O)c3C2)cc(OC)c1OC	ZINC000019549646	556794692	/nfs/dbraw/zinc/79/46/92/556794692.db2.gz	XOPXJADPPJPTRC-UHFFFAOYSA-N	-1	1	442.516	1.913	40	0		IDABMM
COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(OC)cc3)[n-]c(=O)c2C1	ZINC000019592902	556828972	/nfs/dbraw/zinc/82/89/72/556828972.db2.gz	CUTNZSSDIKMIIJ-LJQANCHMSA-N	-1	1	440.500	1.677	40	0		IDABMM
CCOC(=O)c1cnc(NCCCCCCNc2ncc(C(=O)OCC)c(=O)[nH]2)[n-]c1=O	ZINC000016939527	556976735	/nfs/dbraw/zinc/97/67/35/556976735.db2.gz	SENHADHVQLIAAQ-UHFFFAOYSA-N	-1	1	448.480	1.291	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1F	ZINC000223655678	557498097	/nfs/dbraw/zinc/49/80/97/557498097.db2.gz	KHOXJSRTVBSBDR-UHFFFAOYSA-N	-1	1	443.522	1.571	40	0		IDABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000223784076	557512663	/nfs/dbraw/zinc/51/26/63/557512663.db2.gz	HSQZGHGAXJETLL-UHFFFAOYSA-N	-1	1	446.529	1.243	40	0		IDABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)c1	ZINC000223839480	557519302	/nfs/dbraw/zinc/51/93/02/557519302.db2.gz	MWCPSWZHQXDNCJ-UHFFFAOYSA-N	-1	1	431.514	1.970	40	0		IDABMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCN(C)CC4)cc3)ccc21	ZINC000223845881	557519995	/nfs/dbraw/zinc/51/99/95/557519995.db2.gz	IKEILYQGZHGPFB-UHFFFAOYSA-N	-1	1	442.541	1.784	40	0		IDABMM
CC(C)(C)c1ccc(CN2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)c(OCC(=O)[O-])c1	ZINC000257266072	568695767	/nfs/dbraw/zinc/69/57/67/568695767.db2.gz	MBLLEOIBGKNTMF-KNKQGSTJSA-N	-1	1	436.549	1.076	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000249687264	569207786	/nfs/dbraw/zinc/20/77/86/569207786.db2.gz	HJGZRHSXOCLJMA-IAGOWNOFSA-N	-1	1	438.550	1.511	40	0		IDABMM
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1	ZINC000022610494	524431291	/nfs/dbraw/zinc/43/12/91/524431291.db2.gz	TYCIDWYQZLIQRZ-OAHLLOKOSA-N	-1	1	438.488	1.153	40	0		IDABMM
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(I)cc2)c1	ZINC000226855370	556685684	/nfs/dbraw/zinc/68/56/84/556685684.db2.gz	KSLFVQRIHLTHOA-UHFFFAOYSA-N	-1	1	438.268	1.739	40	0		IDABMM
COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[n-]c(=O)c2C1	ZINC000019209752	556708852	/nfs/dbraw/zinc/70/88/52/556708852.db2.gz	RPTVWSNCSYYIJY-HXUWFJFHSA-N	-1	1	438.528	1.906	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019451076	556761750	/nfs/dbraw/zinc/76/17/50/556761750.db2.gz	HJGZRHSXOCLJMA-SJORKVTESA-N	-1	1	438.550	1.099	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019451074	556761808	/nfs/dbraw/zinc/76/18/08/556761808.db2.gz	HJGZRHSXOCLJMA-IRXDYDNUSA-N	-1	1	438.550	1.099	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccsc3)[n-]c(=O)c2C1	ZINC000019520420	556776711	/nfs/dbraw/zinc/77/67/11/556776711.db2.gz	KEOJNJDOXHNXMU-MRXNPFEDSA-N	-1	1	436.559	1.907	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019520417	556776790	/nfs/dbraw/zinc/77/67/90/556776790.db2.gz	JWQFUOHKEXWFQE-KRWDZBQOSA-N	-1	1	431.518	1.240	40	0		IDABMM
COc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019564523	556805419	/nfs/dbraw/zinc/80/54/19/556805419.db2.gz	RKOMXELIOMYUSM-GOSISDBHSA-N	-1	1	446.529	1.464	40	0		IDABMM
COc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019568743	556808766	/nfs/dbraw/zinc/80/87/66/556808766.db2.gz	MNMBSQDKAHQFNT-KRWDZBQOSA-N	-1	1	446.529	1.464	40	0		IDABMM
CS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccsc3)[n-]c(=O)c2C1	ZINC000019572602	556813069	/nfs/dbraw/zinc/81/30/69/556813069.db2.gz	ACNBCOTYCCBQET-MRXNPFEDSA-N	-1	1	436.559	1.445	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F	ZINC000038602766	557239781	/nfs/dbraw/zinc/23/97/81/557239781.db2.gz	ZGESPMQDAVYEGA-UHFFFAOYSA-N	-1	1	430.479	1.656	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1N1C(=O)CCC1=O	ZINC000224378451	557599256	/nfs/dbraw/zinc/59/92/56/557599256.db2.gz	WOLIWYRZKWBILM-UHFFFAOYSA-N	-1	1	431.470	1.851	40	0		IDABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(C(=O)OC)c1	ZINC000225083784	557686215	/nfs/dbraw/zinc/68/62/15/557686215.db2.gz	RIVSEQMPOFWTQN-UHFFFAOYSA-N	-1	1	446.437	1.714	40	0		IDABMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1	ZINC000139080708	569254608	/nfs/dbraw/zinc/25/46/08/569254608.db2.gz	IQTNHDJWZGEDLH-GXTWGEPZSA-N	-1	1	439.472	1.842	40	0		IDABMM
Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000022902978	525494263	/nfs/dbraw/zinc/49/42/63/525494263.db2.gz	WFJOERQYCZKMLH-UHFFFAOYSA-N	-1	1	425.488	1.491	40	0		IDABMM
CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000408588451	555940435	/nfs/dbraw/zinc/94/04/35/555940435.db2.gz	GHRFHJCCBYZHGJ-ZDUSSCGKSA-N	-1	1	441.531	1.427	40	0		IDABMM
Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019234765	556719110	/nfs/dbraw/zinc/71/91/10/556719110.db2.gz	YEFMOOZFPLOSOQ-LJQANCHMSA-N	-1	1	444.557	1.692	40	0		IDABMM
Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019234766	556719133	/nfs/dbraw/zinc/71/91/33/556719133.db2.gz	YEFMOOZFPLOSOQ-IBGZPJMESA-N	-1	1	444.557	1.692	40	0		IDABMM
Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019236783	556721487	/nfs/dbraw/zinc/72/14/87/556721487.db2.gz	OSBPNBBLZZBXGU-SFHVURJKSA-N	-1	1	430.530	1.763	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[n-]c(=O)c2C1	ZINC000019239461	556724767	/nfs/dbraw/zinc/72/47/67/556724767.db2.gz	WEZPOXPPKBVNTH-DNVCBOLYSA-N	-1	1	437.500	1.372	40	0		IDABMM
CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019499867	556771765	/nfs/dbraw/zinc/77/17/65/556771765.db2.gz	CGCSXWQCULJROU-YOEHRIQHSA-N	-1	1	426.521	1.894	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c(=O)c2C1	ZINC000019520395	556776415	/nfs/dbraw/zinc/77/64/15/556776415.db2.gz	LMUAHJFYDPVSSI-IBGZPJMESA-N	-1	1	444.557	1.774	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019520418	556776730	/nfs/dbraw/zinc/77/67/30/556776730.db2.gz	JWQFUOHKEXWFQE-QGZVFWFLSA-N	-1	1	431.518	1.240	40	0		IDABMM
CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C(C)(C)C)[n-]c(=O)c2C1	ZINC000019524153	556781273	/nfs/dbraw/zinc/78/12/73/556781273.db2.gz	MQDDEXCOFQLVKI-INIZCTEOSA-N	-1	1	426.521	1.894	40	0		IDABMM
Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019562178	556803603	/nfs/dbraw/zinc/80/36/03/556803603.db2.gz	FRIIXFDHKVRCLH-AWEZNQCLSA-N	-1	1	437.547	1.220	40	0		IDABMM
COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[n-]c(=O)c2C1	ZINC000019592895	556828830	/nfs/dbraw/zinc/82/88/30/556828830.db2.gz	LSOPFTKMAKAPDX-KRWDZBQOSA-N	-1	1	430.530	1.659	40	0		IDABMM
CCOc1ccc2nc(Nc3nc(CSc4nnnn4C)cc(=O)[n-]3)nc(C)c2c1	ZINC000009938944	557194401	/nfs/dbraw/zinc/19/44/01/557194401.db2.gz	KOJJCIUFTKMOPL-UHFFFAOYSA-N	-1	1	425.478	1.980	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	ZINC000014230154	557433487	/nfs/dbraw/zinc/43/34/87/557433487.db2.gz	YKPVDOYPIKNJJF-UHFFFAOYSA-N	-1	1	442.515	1.526	40	0		IDABMM
CN(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1)S(C)(=O)=O	ZINC000225675187	557761203	/nfs/dbraw/zinc/76/12/03/557761203.db2.gz	WWMQPPXKKGMQGX-UHFFFAOYSA-N	-1	1	427.529	1.797	40	0		IDABMM
O=C([N-][C@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000575422724	568863990	/nfs/dbraw/zinc/86/39/90/568863990.db2.gz	VXSLZHJNPODFBD-VHSXEESVSA-N	-1	1	430.766	1.625	40	0		IDABMM
O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)N1CCOCC1	ZINC000033392469	569243813	/nfs/dbraw/zinc/24/38/13/569243813.db2.gz	DNGSTKSJUZNYEO-UHFFFAOYSA-N	-1	1	438.234	1.276	40	0		IDABMM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)N1CCOCC1	ZINC000033392469	569243815	/nfs/dbraw/zinc/24/38/15/569243815.db2.gz	DNGSTKSJUZNYEO-UHFFFAOYSA-N	-1	1	438.234	1.276	40	0		IDABMM
CN(C)CCNc1nc(-c2ccncc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000329012531	569582890	/nfs/dbraw/zinc/58/28/90/569582890.db2.gz	MJTZQKNDNCMRMN-UHFFFAOYSA-N	-1	1	429.506	2.198	40	0		IDABMM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3n[n-]cc3S(C)(=O)=O)C2)cc1	ZINC000012116012	519730556	/nfs/dbraw/zinc/73/05/56/519730556.db2.gz	QDEDIQZNRJBYMV-ZDUSSCGKSA-N	-1	1	426.520	1.340	40	0		IDABMM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[n-]ncc3S(C)(=O)=O)C2)cc1	ZINC000012116012	519730558	/nfs/dbraw/zinc/73/05/58/519730558.db2.gz	QDEDIQZNRJBYMV-ZDUSSCGKSA-N	-1	1	426.520	1.340	40	0		IDABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1C	ZINC000022610478	525198753	/nfs/dbraw/zinc/19/87/53/525198753.db2.gz	YGSXEEQAVDUZRA-OAHLLOKOSA-N	-1	1	438.488	1.153	40	0		IDABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1C	ZINC000022610480	525219951	/nfs/dbraw/zinc/21/99/51/525219951.db2.gz	YGSXEEQAVDUZRA-HNNXBMFYSA-N	-1	1	438.488	1.153	40	0		IDABMM
CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000408581909	555933543	/nfs/dbraw/zinc/93/35/43/555933543.db2.gz	BANLWTHUZZWELF-UHFFFAOYSA-N	-1	1	426.520	1.912	40	0		IDABMM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1)C(=O)N1CCOCC1	ZINC000408592897	555954558	/nfs/dbraw/zinc/95/45/58/555954558.db2.gz	KRSUDUAVRSRFIW-CQSZACIVSA-N	-1	1	433.486	1.212	40	0		IDABMM
O=C(C[P@@](=O)([O-])O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000031750010	556526185	/nfs/dbraw/zinc/52/61/85/556526185.db2.gz	FKUGSGPZQIDQDT-QGZVFWFLSA-N	-1	1	435.369	1.526	40	0		IDABMM
COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[n-]c(=O)c2C1	ZINC000019209748	556708879	/nfs/dbraw/zinc/70/88/79/556708879.db2.gz	RPTVWSNCSYYIJY-FQEVSTJZSA-N	-1	1	438.528	1.906	40	0		IDABMM
O=C(COc1ccc(C=C2NC(=S)[N-]C2=O)cc1Br)N1CCOCC1	ZINC000409377430	557093038	/nfs/dbraw/zinc/09/30/38/557093038.db2.gz	HXERTOUMEFXQLB-XYOKQWHBSA-N	-1	1	426.292	1.032	40	0		IDABMM
CN(c1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)S(C)(=O)=O	ZINC000225080156	557685806	/nfs/dbraw/zinc/68/58/06/557685806.db2.gz	BTDZQEVOIWVVMY-UHFFFAOYSA-N	-1	1	437.499	1.537	40	0		IDABMM
O=S(=O)([N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1)c1cccc2cccnc21	ZINC000575426568	568865361	/nfs/dbraw/zinc/86/53/61/568865361.db2.gz	VVGGNRYYFNIIEA-DLBZAZTESA-N	-1	1	433.511	1.605	40	0		IDABMM
O=S(=O)([N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1cccc2cccnc21	ZINC000575426570	568865466	/nfs/dbraw/zinc/86/54/66/568865466.db2.gz	VVGGNRYYFNIIEA-IRXDYDNUSA-N	-1	1	433.511	1.605	40	0		IDABMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1	ZINC000139080628	569254580	/nfs/dbraw/zinc/25/45/80/569254580.db2.gz	IQTNHDJWZGEDLH-TZMCWYRMSA-N	-1	1	439.472	1.842	40	0		IDABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc(C(=O)OC)c1	ZINC000015243663	521895680	/nfs/dbraw/zinc/89/56/80/521895680.db2.gz	IHUBPNMDFKNJAN-UHFFFAOYSA-N	-1	1	432.454	1.970	40	0		IDABMM
CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)cc1	ZINC000022610394	523990639	/nfs/dbraw/zinc/99/06/39/523990639.db2.gz	MVQDKMSEDZSPSD-HNNXBMFYSA-N	-1	1	438.488	1.099	40	0		IDABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1C(=O)NCC(C)C	ZINC000408581846	555933628	/nfs/dbraw/zinc/93/36/28/555933628.db2.gz	ASHRXGDAGKUCNT-UHFFFAOYSA-N	-1	1	425.532	1.829	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1	ZINC000019451078	556761800	/nfs/dbraw/zinc/76/18/00/556761800.db2.gz	AZMNIRVMXVSWNK-SFHVURJKSA-N	-1	1	445.545	1.629	40	0		IDABMM
CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019499866	556771840	/nfs/dbraw/zinc/77/18/40/556771840.db2.gz	CGCSXWQCULJROU-PBHICJAKSA-N	-1	1	426.521	1.894	40	0		IDABMM
CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1	ZINC000019573376	556813489	/nfs/dbraw/zinc/81/34/89/556813489.db2.gz	IRZCMUWCYRHPNL-MRXNPFEDSA-N	-1	1	438.509	1.794	40	0		IDABMM
COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(OC)c3)[n-]c(=O)c2C1	ZINC000019592907	556829145	/nfs/dbraw/zinc/82/91/45/556829145.db2.gz	GZNIJIZJDPJXMO-IBGZPJMESA-N	-1	1	440.500	1.677	40	0		IDABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1Cl	ZINC000409232047	557023619	/nfs/dbraw/zinc/02/36/19/557023619.db2.gz	MSVKMMDZQOPJGA-UHFFFAOYSA-N	-1	1	434.879	1.340	40	0		IDABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(S(=O)(=O)NC)ccc3C)cc2oc1=O	ZINC000223033612	557418720	/nfs/dbraw/zinc/41/87/20/557418720.db2.gz	RXQRRIIQQYNCCT-UHFFFAOYSA-N	-1	1	425.488	1.632	40	0		IDABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc(C(=O)OC)c1	ZINC000223310696	557457955	/nfs/dbraw/zinc/45/79/55/557457955.db2.gz	JHRGUFBIGMVGLV-UHFFFAOYSA-N	-1	1	434.470	1.739	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)c(OC)c1	ZINC000575426267	568865274	/nfs/dbraw/zinc/86/52/74/568865274.db2.gz	PYDRDWOQSIQGOR-JKSUJKDBSA-N	-1	1	442.515	1.074	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)c(OC)c1	ZINC000575426265	568865290	/nfs/dbraw/zinc/86/52/90/568865290.db2.gz	PYDRDWOQSIQGOR-HOTGVXAUSA-N	-1	1	442.515	1.074	40	0		IDABMM
O=S(=O)([N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1)c1cccc2cccnc21	ZINC000575426569	568865444	/nfs/dbraw/zinc/86/54/44/568865444.db2.gz	VVGGNRYYFNIIEA-IAGOWNOFSA-N	-1	1	433.511	1.605	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)NC(C)C	ZINC000026112353	569242161	/nfs/dbraw/zinc/24/21/61/569242161.db2.gz	SMKQLGVBNPWNTF-UHFFFAOYSA-N	-1	1	432.502	1.825	40	0		IDABMM
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610472	521902626	/nfs/dbraw/zinc/90/26/26/521902626.db2.gz	BORMAVUIEBEBMO-AWEZNQCLSA-N	-1	1	438.488	1.099	40	0		IDABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c(C)c1	ZINC000022610533	525219367	/nfs/dbraw/zinc/21/93/67/525219367.db2.gz	DJKKNMCSYQJLJG-AWEZNQCLSA-N	-1	1	438.488	1.153	40	0		IDABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000408588202	555938542	/nfs/dbraw/zinc/93/85/42/555938542.db2.gz	CXBLOROYQVXFJN-HNNXBMFYSA-N	-1	1	448.497	1.900	40	0		IDABMM
CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000408588443	555940425	/nfs/dbraw/zinc/94/04/25/555940425.db2.gz	GHRFHJCCBYZHGJ-CYBMUJFWSA-N	-1	1	441.531	1.427	40	0		IDABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1OC	ZINC000010008918	556321078	/nfs/dbraw/zinc/32/10/78/556321078.db2.gz	UBJYTMPGQGGLCI-UHFFFAOYSA-N	-1	1	441.531	1.642	40	0		IDABMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1	ZINC000040388849	556636739	/nfs/dbraw/zinc/63/67/39/556636739.db2.gz	LMHXCPTYPCMWEG-AAEUAGOBSA-N	-1	1	425.445	1.799	40	0		IDABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2	ZINC000040389088	556637033	/nfs/dbraw/zinc/63/70/33/556637033.db2.gz	PIVBBLYKAAIPIM-JSGCOSHPSA-N	-1	1	439.472	1.984	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019239459	556724817	/nfs/dbraw/zinc/72/48/17/556724817.db2.gz	QCJXTQCSSSDMIU-RTBURBONSA-N	-1	1	437.500	1.514	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019342806	556740716	/nfs/dbraw/zinc/74/07/16/556740716.db2.gz	KUCLDZMMXYEUBX-HZPDHXFCSA-N	-1	1	428.514	1.872	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[n-]c(=O)c2C1	ZINC000019520409	556776264	/nfs/dbraw/zinc/77/62/64/556776264.db2.gz	SHPAJXPHHHZXFT-SFHVURJKSA-N	-1	1	430.530	1.845	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccnc3)[n-]c(=O)c2C1	ZINC000019520400	556776303	/nfs/dbraw/zinc/77/63/03/556776303.db2.gz	SFJCKYHZGUQFAV-GOSISDBHSA-N	-1	1	445.545	1.169	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccsc3)[n-]c(=O)c2C1	ZINC000019520419	556776633	/nfs/dbraw/zinc/77/66/33/556776633.db2.gz	KEOJNJDOXHNXMU-INIZCTEOSA-N	-1	1	436.559	1.907	40	0		IDABMM
CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C(C)(C)C)[n-]c(=O)c2C1	ZINC000019524154	556781228	/nfs/dbraw/zinc/78/12/28/556781228.db2.gz	MQDDEXCOFQLVKI-MRXNPFEDSA-N	-1	1	426.521	1.894	40	0		IDABMM
Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019562175	556803593	/nfs/dbraw/zinc/80/35/93/556803593.db2.gz	FRIIXFDHKVRCLH-CQSZACIVSA-N	-1	1	437.547	1.220	40	0		IDABMM
COc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019564527	556805378	/nfs/dbraw/zinc/80/53/78/556805378.db2.gz	RKOMXELIOMYUSM-SFHVURJKSA-N	-1	1	446.529	1.464	40	0		IDABMM
CO[C@H]1c2c([O-])c(C(=O)N3CCC(C(N)=O)CC3)ccc2O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@@]21O	ZINC000257292278	568707636	/nfs/dbraw/zinc/70/76/36/568707636.db2.gz	QKTMJCQZXQUNQR-HLVXHJOFSA-N	-1	1	444.528	1.975	40	0		IDABMM
Cc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575419906	568863395	/nfs/dbraw/zinc/86/33/95/568863395.db2.gz	AKUNEWOUAKRQOH-WDEREUQCSA-N	-1	1	444.793	1.933	40	0		IDABMM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575422095	568863593	/nfs/dbraw/zinc/86/35/93/568863593.db2.gz	MEOAWNKAIDYAJI-HOTGVXAUSA-N	-1	1	426.516	1.374	40	0		IDABMM
O=C([N-][C@@H]1CS(=O)(=O)C[C@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000575422707	568863996	/nfs/dbraw/zinc/86/39/96/568863996.db2.gz	VXSLZHJNPODFBD-NXEZZACHSA-N	-1	1	430.766	1.625	40	0		IDABMM
O=S(=O)([N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1cccc2cccnc21	ZINC000575426571	568865393	/nfs/dbraw/zinc/86/53/93/568865393.db2.gz	VVGGNRYYFNIIEA-SJORKVTESA-N	-1	1	433.511	1.605	40	0		IDABMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1	ZINC000139080432	569254630	/nfs/dbraw/zinc/25/46/30/569254630.db2.gz	LMHXCPTYPCMWEG-WCQYABFASA-N	-1	1	425.445	1.799	40	0		IDABMM
O=C1CO[C@H](c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H](CO)N1C1CCOCC1	ZINC000072321521	291328168	/nfs/dbraw/zinc/32/81/68/291328168.db2.gz	AEKBLNQGGHEWAX-IFMALSPDSA-N	-1	1	446.525	1.927	40	0	biogenic,in-vitro	IDABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)CC1	ZINC000022610225	521045687	/nfs/dbraw/zinc/04/56/87/521045687.db2.gz	CYPOBJFUGCLTMM-AWEZNQCLSA-N	-1	1	439.472	1.842	40	0		IDABMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1OC	ZINC000010008819	556321180	/nfs/dbraw/zinc/32/11/80/556321180.db2.gz	VPOMRYASIBFQIJ-UHFFFAOYSA-N	-1	1	427.504	1.251	40	0		IDABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2	ZINC000040389086	556636962	/nfs/dbraw/zinc/63/69/62/556636962.db2.gz	PIVBBLYKAAIPIM-OCCSQVGLSA-N	-1	1	439.472	1.984	40	0		IDABMM
Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)cc1	ZINC000019209761	556708881	/nfs/dbraw/zinc/70/88/81/556708881.db2.gz	KBDQQNUPNJBKMH-LJQANCHMSA-N	-1	1	444.557	1.692	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019239458	556724713	/nfs/dbraw/zinc/72/47/13/556724713.db2.gz	QCJXTQCSSSDMIU-RBUKOAKNSA-N	-1	1	437.500	1.514	40	0		IDABMM
O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1	ZINC000019403132	556754097	/nfs/dbraw/zinc/75/40/97/556754097.db2.gz	YJYZDLJAJSRQLX-INIZCTEOSA-N	-1	1	435.528	1.940	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c(=O)c2C1	ZINC000019520396	556776396	/nfs/dbraw/zinc/77/63/96/556776396.db2.gz	LMUAHJFYDPVSSI-LJQANCHMSA-N	-1	1	444.557	1.774	40	0		IDABMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc([C@H]4CCc5nncn5C4)cc3)cc2n(C)c1=O	ZINC000019699173	556858389	/nfs/dbraw/zinc/85/83/89/556858389.db2.gz	MYCQTKRXYYAZQU-HNNXBMFYSA-N	-1	1	438.513	1.999	40	0		IDABMM
COC(=O)c1cc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc(C(=O)OC)c1	ZINC000223339588	557460446	/nfs/dbraw/zinc/46/04/46/557460446.db2.gz	RZOJTXYHOONNOW-UHFFFAOYSA-N	-1	1	434.426	1.814	40	0		IDABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000223648242	557496911	/nfs/dbraw/zinc/49/69/11/557496911.db2.gz	HHOBWXDLVUDRSU-UHFFFAOYSA-N	-1	1	427.523	1.871	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCOCC1	ZINC000223783265	557512620	/nfs/dbraw/zinc/51/26/20/557512620.db2.gz	PBQVJZRGLKMVCR-UHFFFAOYSA-N	-1	1	447.513	1.670	40	0		IDABMM
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000225606685	557750695	/nfs/dbraw/zinc/75/06/95/557750695.db2.gz	DJACTGKVYWBVRP-UHFFFAOYSA-N	-1	1	444.506	1.964	40	0		IDABMM
O=C([N-][C@H]1CS(=O)(=O)C[C@@H]1NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000575422722	568863958	/nfs/dbraw/zinc/86/39/58/568863958.db2.gz	VXSLZHJNPODFBD-UWVGGRQHSA-N	-1	1	430.766	1.625	40	0		IDABMM
CC(C)S(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1	ZINC000249687261	569207743	/nfs/dbraw/zinc/20/77/43/569207743.db2.gz	HJGZRHSXOCLJMA-DLBZAZTESA-N	-1	1	438.550	1.511	40	0		IDABMM
CN(C)CCNc1nc(-c2ccccn2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328982518	569582825	/nfs/dbraw/zinc/58/28/25/569582825.db2.gz	HBBYSGATOLNFHY-UHFFFAOYSA-N	-1	1	429.506	2.198	40	0		IDABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1	ZINC000022610217	521047640	/nfs/dbraw/zinc/04/76/40/521047640.db2.gz	FJMLCEYXNVECFI-ZDUSSCGKSA-N	-1	1	425.445	1.799	40	0		IDABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000408588204	555938561	/nfs/dbraw/zinc/93/85/61/555938561.db2.gz	CXBLOROYQVXFJN-OAHLLOKOSA-N	-1	1	448.497	1.900	40	0		IDABMM
CCOc1cccc2c(C)nc(Nc3nc(CSc4nnnn4C)cc(=O)[n-]3)nc12	ZINC000009938902	556318466	/nfs/dbraw/zinc/31/84/66/556318466.db2.gz	NTQHHSORQWTLJT-UHFFFAOYSA-N	-1	1	425.478	1.980	40	0		IDABMM
Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCOC3)[n-]c(=O)c2C1	ZINC000019239463	556724789	/nfs/dbraw/zinc/72/47/89/556724789.db2.gz	WEZPOXPPKBVNTH-HNAYVOBHSA-N	-1	1	437.500	1.372	40	0		IDABMM
COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(OC)cc3)[n-]c(=O)c2C1	ZINC000019592901	556828856	/nfs/dbraw/zinc/82/88/56/556828856.db2.gz	CUTNZSSDIKMIIJ-IBGZPJMESA-N	-1	1	440.500	1.677	40	0		IDABMM
Cc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575419903	568863186	/nfs/dbraw/zinc/86/31/86/568863186.db2.gz	AKUNEWOUAKRQOH-GHMZBOCLSA-N	-1	1	444.793	1.933	40	0		IDABMM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575422093	568863641	/nfs/dbraw/zinc/86/36/41/568863641.db2.gz	MEOAWNKAIDYAJI-CVEARBPZSA-N	-1	1	426.516	1.374	40	0		IDABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000139092119	569254583	/nfs/dbraw/zinc/25/45/83/569254583.db2.gz	CAZRPQLNBNMHIP-WCQYABFASA-N	-1	1	425.445	1.942	40	0		IDABMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)c3ccnc(Cl)c3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481423	519585421	/nfs/dbraw/zinc/58/54/21/519585421.db2.gz	ORTSWWTYCMQMOM-WMZOPIPTSA-N	-1	1	436.940	1.842	40	0	biogenic,in-vitro	IDABMM
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1	ZINC000022610501	524153530	/nfs/dbraw/zinc/15/35/30/524153530.db2.gz	HJWWMICIZQYCEM-CQSZACIVSA-N	-1	1	438.488	1.153	40	0		IDABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCN3CCOCC3)cc2)c1	ZINC000408613124	555978457	/nfs/dbraw/zinc/97/84/57/555978457.db2.gz	ZXMZFZMTFSVAEN-UHFFFAOYSA-N	-1	1	449.529	1.323	40	0		IDABMM
O=C(CSc1nccc(=O)[n-]1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1	ZINC000006446590	556088494	/nfs/dbraw/zinc/08/84/94/556088494.db2.gz	GURQSTJRUDDJNJ-UHFFFAOYSA-N	-1	1	430.511	1.979	40	0		IDABMM
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1	ZINC000038828339	556620462	/nfs/dbraw/zinc/62/04/62/556620462.db2.gz	KIDOQXBZHPHDAE-CQSZACIVSA-N	-1	1	425.445	1.611	40	0		IDABMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc4c(c2)OCCO4)CC(=O)N3)C1	ZINC000040388850	556636731	/nfs/dbraw/zinc/63/67/31/556636731.db2.gz	IQTNHDJWZGEDLH-OCCSQVGLSA-N	-1	1	439.472	1.842	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019342800	556740688	/nfs/dbraw/zinc/74/06/88/556740688.db2.gz	KUCLDZMMXYEUBX-CVEARBPZSA-N	-1	1	428.514	1.872	40	0		IDABMM
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019499865	556771832	/nfs/dbraw/zinc/77/18/32/556771832.db2.gz	CGCSXWQCULJROU-WMLDXEAASA-N	-1	1	426.521	1.894	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[n-]c(=O)c2C1	ZINC000019520410	556776310	/nfs/dbraw/zinc/77/63/10/556776310.db2.gz	SHPAJXPHHHZXFT-GOSISDBHSA-N	-1	1	430.530	1.845	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccn3)[n-]c(=O)c2C1	ZINC000019520398	556776342	/nfs/dbraw/zinc/77/63/42/556776342.db2.gz	ZDMKPSNWGKAHIB-GOSISDBHSA-N	-1	1	445.545	1.169	40	0		IDABMM
COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)COc3ccccc3)[n-]c(=O)c2C1	ZINC000019592886	556828889	/nfs/dbraw/zinc/82/88/89/556828889.db2.gz	BJXSTXBWWZNXDZ-LJQANCHMSA-N	-1	1	440.500	1.434	40	0		IDABMM
C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3c([O-])n(C)c(=O)n(C)c3=O)cc2N1	ZINC000100728733	557271929	/nfs/dbraw/zinc/27/19/29/557271929.db2.gz	HRKKTOJKLWQFIQ-DDTOSNHZSA-N	-1	1	442.442	1.994	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)c(OC)c1	ZINC000575426266	568865218	/nfs/dbraw/zinc/86/52/18/568865218.db2.gz	PYDRDWOQSIQGOR-HZPDHXFCSA-N	-1	1	442.515	1.074	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)c(OC)c1	ZINC000575426264	568865311	/nfs/dbraw/zinc/86/53/11/568865311.db2.gz	PYDRDWOQSIQGOR-CVEARBPZSA-N	-1	1	442.515	1.074	40	0		IDABMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)C1	ZINC000139080335	569254570	/nfs/dbraw/zinc/25/45/70/569254570.db2.gz	LMHXCPTYPCMWEG-DGCLKSJQSA-N	-1	1	425.445	1.799	40	0		IDABMM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1)C(=O)N1CCOCC1	ZINC000408592893	555954590	/nfs/dbraw/zinc/95/45/90/555954590.db2.gz	KRSUDUAVRSRFIW-AWEZNQCLSA-N	-1	1	433.486	1.212	40	0		IDABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2	ZINC000040389083	556636912	/nfs/dbraw/zinc/63/69/12/556636912.db2.gz	CAZRPQLNBNMHIP-AAEUAGOBSA-N	-1	1	425.445	1.942	40	0		IDABMM
Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)c1	ZINC000019234427	556718455	/nfs/dbraw/zinc/71/84/55/556718455.db2.gz	ACBOMLXIFYPFGN-SFHVURJKSA-N	-1	1	430.530	1.763	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1	ZINC000019342798	556740596	/nfs/dbraw/zinc/74/05/96/556740596.db2.gz	KUCLDZMMXYEUBX-HOTGVXAUSA-N	-1	1	428.514	1.872	40	0		IDABMM
O=c1[n-]c(N2CCCCC2)nc2c1CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2	ZINC000019346318	556742812	/nfs/dbraw/zinc/74/28/12/556742812.db2.gz	UGSKYWYDLXQLNM-UHFFFAOYSA-N	-1	1	432.502	1.278	40	0		IDABMM
COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[n-]c(=O)c2C1	ZINC000019592908	556829141	/nfs/dbraw/zinc/82/91/41/556829141.db2.gz	GZNIJIZJDPJXMO-LJQANCHMSA-N	-1	1	440.500	1.677	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(C)=O	ZINC000223787368	557513163	/nfs/dbraw/zinc/51/31/63/557513163.db2.gz	HLVLTBOQLHNZIV-UHFFFAOYSA-N	-1	1	427.504	1.850	40	0		IDABMM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575422097	568863820	/nfs/dbraw/zinc/86/38/20/568863820.db2.gz	MEOAWNKAIDYAJI-JKSUJKDBSA-N	-1	1	426.516	1.374	40	0		IDABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2	ZINC000139092408	569254563	/nfs/dbraw/zinc/25/45/63/569254563.db2.gz	PIVBBLYKAAIPIM-GXTWGEPZSA-N	-1	1	439.472	1.984	40	0		IDABMM
CC(=O)N1CCN(CC[C@H]2CN(C(=O)NCc3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481440	519586781	/nfs/dbraw/zinc/58/67/81/519586781.db2.gz	GSRCMHGQOFXCAA-SFTDATJTSA-N	-1	1	430.549	1.863	40	0	biogenic,in-vitro	IDABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc4c(c2)OCO4)CC(=O)N3)CC1	ZINC000022610213	521048405	/nfs/dbraw/zinc/04/84/05/521048405.db2.gz	FJMLCEYXNVECFI-CYBMUJFWSA-N	-1	1	425.445	1.799	40	0		IDABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	ZINC000408583756	555930846	/nfs/dbraw/zinc/93/08/46/555930846.db2.gz	JSKGPDGAVCWCQB-UHFFFAOYSA-N	-1	1	437.426	1.612	40	0		IDABMM
COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1F	ZINC000408681544	556075554	/nfs/dbraw/zinc/07/55/54/556075554.db2.gz	XJUOTVRXKVBWHE-UHFFFAOYSA-N	-1	1	430.479	1.656	40	0		IDABMM
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013542109	556513859	/nfs/dbraw/zinc/51/38/59/556513859.db2.gz	RCMWNNJFKNDKQR-UFYCRDLUSA-N	-1	1	425.485	1.065	40	0		IDABMM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3cnccn3)[n-]c(=O)c2C1	ZINC000019342818	556740684	/nfs/dbraw/zinc/74/06/84/556740684.db2.gz	FMIJTPCDPISOKU-MRXNPFEDSA-N	-1	1	436.497	1.797	40	0		IDABMM
O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1	ZINC000019403134	556754163	/nfs/dbraw/zinc/75/41/63/556754163.db2.gz	YJYZDLJAJSRQLX-MRXNPFEDSA-N	-1	1	435.528	1.940	40	0		IDABMM
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnn1CC)CC2	ZINC000019499864	556771716	/nfs/dbraw/zinc/77/17/16/556771716.db2.gz	CGCSXWQCULJROU-RHSMWYFYSA-N	-1	1	426.521	1.894	40	0		IDABMM
CS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccsc3)[n-]c(=O)c2C1	ZINC000019572599	556812976	/nfs/dbraw/zinc/81/29/76/556812976.db2.gz	ACNBCOTYCCBQET-INIZCTEOSA-N	-1	1	436.559	1.445	40	0		IDABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	ZINC000223293023	557456496	/nfs/dbraw/zinc/45/64/96/557456496.db2.gz	VTHGEVPVSJZNTM-RMKNXTFCSA-N	-1	1	432.454	1.820	40	0		IDABMM
CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C(=O)NC)c3)n2)cc1	ZINC000223597477	557490352	/nfs/dbraw/zinc/49/03/52/557490352.db2.gz	UTQYFQHRYQIBLP-UHFFFAOYSA-N	-1	1	446.485	1.982	40	0		IDABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc(C(=O)OC)c1	ZINC000225679479	557761886	/nfs/dbraw/zinc/76/18/86/557761886.db2.gz	HVWFCAOWQULSCK-UHFFFAOYSA-N	-1	1	436.467	1.974	40	0		IDABMM
COc1ccc(CCC(=O)[O-])cc1CN1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1	ZINC000257296848	568709804	/nfs/dbraw/zinc/70/98/04/568709804.db2.gz	REPJRHDWENZXFI-VGOFRKELSA-N	-1	1	440.504	1.632	40	0		IDABMM
Cc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)cc1	ZINC000575419905	568863420	/nfs/dbraw/zinc/86/34/20/568863420.db2.gz	AKUNEWOUAKRQOH-QWRGUYRKSA-N	-1	1	444.793	1.933	40	0		IDABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC(=O)N2	ZINC000139092278	569254546	/nfs/dbraw/zinc/25/45/46/569254546.db2.gz	PIVBBLYKAAIPIM-TZMCWYRMSA-N	-1	1	439.472	1.984	40	0		IDABMM
CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[n-]c(=O)c21	ZINC000022610470	521900955	/nfs/dbraw/zinc/90/09/55/521900955.db2.gz	BORMAVUIEBEBMO-CQSZACIVSA-N	-1	1	438.488	1.099	40	0		IDABMM
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C(N)=O)CC4)[n-]c(=O)c32)c1	ZINC000022610496	524433913	/nfs/dbraw/zinc/43/39/13/524433913.db2.gz	TYCIDWYQZLIQRZ-HNNXBMFYSA-N	-1	1	438.488	1.153	40	0		IDABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000014867833	556451697	/nfs/dbraw/zinc/45/16/97/556451697.db2.gz	YGWYEVZTUJSWOR-UHFFFAOYSA-N	-1	1	425.532	1.432	40	0		IDABMM
Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019237090	556722145	/nfs/dbraw/zinc/72/21/45/556722145.db2.gz	IPOPYSKNZISOBM-IBGZPJMESA-N	-1	1	444.557	1.692	40	0		IDABMM
COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccncc1C)CC2	ZINC000019239472	556725065	/nfs/dbraw/zinc/72/50/65/556725065.db2.gz	GFBMIKAXIVXRIG-SFHVURJKSA-N	-1	1	425.489	1.372	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccnc3)[n-]c(=O)c2C1	ZINC000019520399	556776293	/nfs/dbraw/zinc/77/62/93/556776293.db2.gz	SFJCKYHZGUQFAV-SFHVURJKSA-N	-1	1	445.545	1.169	40	0		IDABMM
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccn3)[n-]c(=O)c2C1	ZINC000019520397	556776357	/nfs/dbraw/zinc/77/63/57/556776357.db2.gz	ZDMKPSNWGKAHIB-SFHVURJKSA-N	-1	1	445.545	1.169	40	0		IDABMM
COc1ccc2c(c1)OC1(CCN(C(=O)CNC(=O)c3cncc([O-])c3)CC1)CC2=O	ZINC000019562957	556804014	/nfs/dbraw/zinc/80/40/14/556804014.db2.gz	FFUSBIVNEHYMHX-UHFFFAOYSA-N	-1	1	425.441	1.552	40	0		IDABMM
CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1	ZINC000019573379	556813607	/nfs/dbraw/zinc/81/36/07/556813607.db2.gz	IRZCMUWCYRHPNL-INIZCTEOSA-N	-1	1	438.509	1.794	40	0		IDABMM
COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccs3)[n-]c(=O)c2C1	ZINC000019592896	556828788	/nfs/dbraw/zinc/82/87/88/556828788.db2.gz	LSOPFTKMAKAPDX-QGZVFWFLSA-N	-1	1	430.530	1.659	40	0		IDABMM
COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccccc3)[n-]c(=O)c2C1	ZINC000019592885	556828850	/nfs/dbraw/zinc/82/88/50/556828850.db2.gz	BJXSTXBWWZNXDZ-IBGZPJMESA-N	-1	1	440.500	1.434	40	0		IDABMM
CCOC(=O)c1ccc(NC(=O)CN2C(=O)SC(=C3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000065090551	556832414	/nfs/dbraw/zinc/83/24/14/556832414.db2.gz	ATBFCRUXHPXPKU-VAWYXSNFSA-N	-1	1	435.439	1.692	40	0		IDABMM
COc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])nn1	ZINC000409290213	557052105	/nfs/dbraw/zinc/05/21/05/557052105.db2.gz	KNIKELCNCRJCHU-KDURUIRLSA-N	-1	1	447.403	1.810	40	0		IDABMM