smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C)c(C)c1-c1cc(C(=O)OCc2ccsc2)n[n-]1	ZINC000078948958	399001652	/nfs/dbraw/zinc/00/16/52/399001652.db2.gz	YDESDOUVKJFUGE-UHFFFAOYSA-N	-1	3	316.386	2.846	40	0		DFABHM
O=C(NCCc1ccc(Br)o1)c1cccc([O-])c1	ZINC000195556801	399185331	/nfs/dbraw/zinc/18/53/31/399185331.db2.gz	VHIIZYJGRPTNJH-UHFFFAOYSA-N	-1	3	310.147	2.720	40	0		DFABHM
CCC[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1	ZINC000020110609	182187888	/nfs/dbraw/zinc/18/78/88/182187888.db2.gz	LSYCIOYVECMSSZ-VIFPVBQESA-N	-1	3	318.826	2.630	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1	ZINC000040621196	183109634	/nfs/dbraw/zinc/10/96/34/183109634.db2.gz	GNRZHVAPMAXRFE-UHFFFAOYSA-N	-1	3	308.403	2.591	40	0		DFABHM
CN1C(=O)S/C(=C\c2cc(Br)ccc2[O-])C1=O	ZINC000408829936	257226932	/nfs/dbraw/zinc/22/69/32/257226932.db2.gz	XTMZHYRIYJQIPG-UITAMQMPSA-N	-1	3	314.160	2.821	40	0		DFABHM
O=Cc1ccc(Sc2nnc(COc3ccccc3)[n-]2)o1	ZINC000408556084	257229641	/nfs/dbraw/zinc/22/96/41/257229641.db2.gz	ZJKOWUMTWSYZID-UHFFFAOYSA-N	-1	3	301.327	2.940	40	0		DFABHM
O=Cc1ccc(Sc2nc(COc3ccccc3)n[n-]2)o1	ZINC000408556084	257229643	/nfs/dbraw/zinc/22/96/43/257229643.db2.gz	ZJKOWUMTWSYZID-UHFFFAOYSA-N	-1	3	301.327	2.940	40	0		DFABHM
O=Cc1ccc(Sc2n[n-]c(COc3ccccc3)n2)o1	ZINC000408556084	257229644	/nfs/dbraw/zinc/22/96/44/257229644.db2.gz	ZJKOWUMTWSYZID-UHFFFAOYSA-N	-1	3	301.327	2.940	40	0		DFABHM
O=c1[n-]c(Cl)nc2cc(I)ccc12	ZINC000026899513	296593868	/nfs/dbraw/zinc/59/38/68/296593868.db2.gz	SCLRQDRTVHTUJI-UHFFFAOYSA-N	-1	3	306.490	2.593	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)CCC2	ZINC000053698297	425888557	/nfs/dbraw/zinc/88/85/57/425888557.db2.gz	FOYWFRFRJHGCLG-JTQLQIEISA-N	-1	3	320.414	2.820	40	0		DFABHM
CSc1nnc(NC(=O)c2ccccc2Br)[n-]1	ZINC000008655148	425671913	/nfs/dbraw/zinc/67/19/13/425671913.db2.gz	UCDUHAURQVKFJE-UHFFFAOYSA-N	-1	3	313.180	2.541	40	0		DFABHM
CSc1n[n-]c(NC(=O)c2ccccc2Br)n1	ZINC000008655148	425671916	/nfs/dbraw/zinc/67/19/16/425671916.db2.gz	UCDUHAURQVKFJE-UHFFFAOYSA-N	-1	3	313.180	2.541	40	0		DFABHM
CSc1nc(NC(=O)c2ccccc2Br)n[n-]1	ZINC000008655148	425671918	/nfs/dbraw/zinc/67/19/18/425671918.db2.gz	UCDUHAURQVKFJE-UHFFFAOYSA-N	-1	3	313.180	2.541	40	0		DFABHM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000028196175	425820427	/nfs/dbraw/zinc/82/04/27/425820427.db2.gz	BURFUHLMIDVGFQ-UHFFFAOYSA-N	-1	3	323.345	2.722	40	0		DFABHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1	ZINC000078403970	426168391	/nfs/dbraw/zinc/16/83/91/426168391.db2.gz	JCTVFLYPRNFTHY-LLVKDONJSA-N	-1	3	318.398	2.853	40	0		DFABHM
O=C([O-])[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccccc1	ZINC000100391796	426481858	/nfs/dbraw/zinc/48/18/58/426481858.db2.gz	IWUFTOBAXFRALB-SJORKVTESA-N	-1	3	309.365	2.702	40	0		DFABHM
CC(=O)N1[N-]C(=O)c2ccccc2N=C1c1ccc(Cl)cc1	ZINC000017052589	275476285	/nfs/dbraw/zinc/47/62/85/275476285.db2.gz	SFZPZKYOOGDHEF-UHFFFAOYSA-N	-1	3	313.744	2.925	40	0		DFABHM
CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2)N1	ZINC000000248840	275871988	/nfs/dbraw/zinc/87/19/88/275871988.db2.gz	UPXCUXHYFTZMNP-CYBMUJFWSA-N	-1	3	300.280	2.795	40	0		DFABHM
CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cocc2C)N1	ZINC000000302701	398345559	/nfs/dbraw/zinc/34/55/59/398345559.db2.gz	VTPBLKLHOYNSKD-LBPRGKRZSA-N	-1	3	304.268	2.841	40	0		DFABHM
CC(=O)c1csc([N-]C(=O)c2snnc2C(C)(C)C)n1	ZINC000087446341	185225464	/nfs/dbraw/zinc/22/54/64/185225464.db2.gz	BJHPILHMSSFWRF-UHFFFAOYSA-N	-1	3	310.404	2.747	40	0		DFABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(C)c1	ZINC000032081017	398526452	/nfs/dbraw/zinc/52/64/52/398526452.db2.gz	ZBFIPZZHRJMNOW-UHFFFAOYSA-N	-1	3	318.398	2.512	40	0		DFABHM
CC(=O)N1CCC[C@H](c2nccnc2[N-]c2ncc(C)s2)C1	ZINC000072365554	191134712	/nfs/dbraw/zinc/13/47/12/191134712.db2.gz	SCERNSAWERSWTC-LBPRGKRZSA-N	-1	3	317.418	2.711	40	0		DFABHM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCN(C(C)C)C2)n1	ZINC000072382651	191142647	/nfs/dbraw/zinc/14/26/47/191142647.db2.gz	DIAJSSXMSCPFEY-LLVKDONJSA-N	-1	3	304.423	2.578	40	0		DFABHM
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000000105698	180695294	/nfs/dbraw/zinc/69/52/94/180695294.db2.gz	LVGNLORGOUXEHG-UHFFFAOYSA-N	-1	3	324.333	2.805	40	0		DFABHM
O=C([O-])[C@@H](CC(=O)Nc1ccccc1Cl)NCc1ccco1	ZINC000004318858	181097494	/nfs/dbraw/zinc/09/74/94/181097494.db2.gz	DZCBCIIBROUNSS-CYBMUJFWSA-N	-1	3	322.748	2.505	40	0		DFABHM
O=c1[n-]c(=O)c2sc(SCc3ccc(F)cc3)nc2[nH]1	ZINC000004987578	181185009	/nfs/dbraw/zinc/18/50/09/181185009.db2.gz	UFFHOKIKDJMSAP-UHFFFAOYSA-N	-1	3	309.347	2.517	40	0		DFABHM
CC(=O)c1ccc(O[C@H](C)C(=O)[N-]c2cc(C)no2)cc1F	ZINC000079020130	399009692	/nfs/dbraw/zinc/00/96/92/399009692.db2.gz	MNKFNEGSBLPIKW-SNVBAGLBSA-N	-1	3	306.293	2.731	40	0		DFABHM
O=C(Nc1cc(Br)ccc1[O-])c1ccncc1F	ZINC000079062818	399012693	/nfs/dbraw/zinc/01/26/93/399012693.db2.gz	QFMKERFWFHXQIZ-UHFFFAOYSA-N	-1	3	311.110	2.941	40	0		DFABHM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@@H]2CCCN(C)C2)n1	ZINC000257339475	203060945	/nfs/dbraw/zinc/06/09/45/203060945.db2.gz	ZBWHTWLROUJXRC-OAHLLOKOSA-N	-1	3	311.385	2.959	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1	ZINC000019118013	182105149	/nfs/dbraw/zinc/10/51/49/182105149.db2.gz	AVSDKEPBUUDYRT-HNNXBMFYSA-N	-1	3	323.396	2.886	40	0		DFABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2Cl)cc1	ZINC000020110344	182187563	/nfs/dbraw/zinc/18/75/63/182187563.db2.gz	FHRSSVAITNPAAJ-UHFFFAOYSA-N	-1	3	324.789	2.548	40	0		DFABHM
Cc1cc(NC(N)=S)cc(-c2nc3ncccc3o2)c1[O-]	ZINC000020154603	182193281	/nfs/dbraw/zinc/19/32/81/182193281.db2.gz	OFYUOMQZLOJTQO-UHFFFAOYSA-N	-1	3	300.343	2.559	40	0		DFABHM
O=C(NCCOc1cccc2cccnc21)c1ccccc1[O-]	ZINC000059474418	425898815	/nfs/dbraw/zinc/89/88/15/425898815.db2.gz	IYRGBAMUBRFZLB-UHFFFAOYSA-N	-1	3	308.337	2.749	40	0		DFABHM
O=C([O-])[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccccc1	ZINC000002547069	425594410	/nfs/dbraw/zinc/59/44/10/425594410.db2.gz	IWUFTOBAXFRALB-IAGOWNOFSA-N	-1	3	309.365	2.702	40	0		DFABHM
COC(=O)c1cc(-c2ccccc2[O-])nc2cc(C3CC3)nn21	ZINC000036615675	425845918	/nfs/dbraw/zinc/84/59/18/425845918.db2.gz	WBHHPWFDDDUTFM-UHFFFAOYSA-N	-1	3	309.325	2.766	40	0		DFABHM
CCc1nn2c(nnc3c2CC=N[N-]C3=O)c1-c1ccc(F)cc1	ZINC000040391795	425851368	/nfs/dbraw/zinc/85/13/68/425851368.db2.gz	WJHNHISDLZKLFC-UHFFFAOYSA-N	-1	3	324.319	2.830	40	0		DFABHM
CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(C)cs1	ZINC000084734860	426244257	/nfs/dbraw/zinc/24/42/57/426244257.db2.gz	XRFNMCCRKBDIML-SNVBAGLBSA-N	-1	3	301.375	2.604	40	0		DFABHM
Cc1nc2c(cc1C(=O)[O-])CCN(Cc1cccs1)CC2	ZINC000096189556	426404062	/nfs/dbraw/zinc/40/40/62/426404062.db2.gz	NBYFFVYHEWVQMO-UHFFFAOYSA-N	-1	3	302.399	2.751	40	0		DFABHM
O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])cc1	ZINC000179641207	426808321	/nfs/dbraw/zinc/80/83/21/426808321.db2.gz	DVHAJJUHWYEXIU-UHFFFAOYSA-N	-1	3	305.717	2.876	40	0		DFABHM
CC(C)N1CCC[C@@H]1c1cncc(-c2cncc(C(=O)[O-])c2)n1	ZINC000257338915	427333676	/nfs/dbraw/zinc/33/36/76/427333676.db2.gz	YZKUQEXYZIYELN-MRXNPFEDSA-N	-1	3	312.373	2.782	40	0		DFABHM
O=c1[n-]c(=O)n(C2CCCCC2)c2nccc(-c3ccco3)c12	ZINC000010157291	280385858	/nfs/dbraw/zinc/38/58/58/280385858.db2.gz	MEYMTEAAKJKANJ-UHFFFAOYSA-N	-1	3	311.341	2.850	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@]2(C)CCCN2C(=O)C2CCCCC2)n1	ZINC000257263222	301373260	/nfs/dbraw/zinc/37/32/60/301373260.db2.gz	LOXXSPQKVOGANT-QGZVFWFLSA-N	-1	3	303.406	2.909	40	0		DFABHM
Cc1ccc([C@H]2C[C@H]2C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)cc1	ZINC000006788558	181389253	/nfs/dbraw/zinc/38/92/53/181389253.db2.gz	XYBFUWKBQOPFHB-YRGRVCCFSA-N	-1	3	312.291	2.568	40	0		DFABHM
COc1cccc2c(=O)c(C(=O)NCCc3ccccc3)c[n-]c12	ZINC000012498441	181767416	/nfs/dbraw/zinc/76/74/16/181767416.db2.gz	QYNPCIBDCSQXFS-UHFFFAOYSA-N	-1	3	322.364	2.922	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1	ZINC000019117821	182105203	/nfs/dbraw/zinc/10/52/03/182105203.db2.gz	FMNQISXVSBBADF-LBPRGKRZSA-N	-1	3	315.348	2.650	40	0		DFABHM
O=c1cc([C@@H]2CCCCN2CC2CC2)nc(-c2ccncc2)[n-]1	ZINC000019405824	182121616	/nfs/dbraw/zinc/12/16/16/182121616.db2.gz	JBRRQUSJVVJKQH-INIZCTEOSA-N	-1	3	310.401	2.769	40	0		DFABHM
CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2F)N1	ZINC000059488956	425898822	/nfs/dbraw/zinc/89/88/22/425898822.db2.gz	NPQIXYHUQXEJCX-LBPRGKRZSA-N	-1	3	304.243	2.689	40	0		DFABHM
Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000011595070	425710746	/nfs/dbraw/zinc/71/07/46/425710746.db2.gz	MTDAZGCAMVLYEG-UHFFFAOYSA-N	-1	3	304.371	2.619	40	0		DFABHM
COc1c([O-])cc(O)c2c1O[C@H](c1ccccc1O)CC2=O	ZINC000014728118	425774165	/nfs/dbraw/zinc/77/41/65/425774165.db2.gz	URBNKMKLIWQQRO-ZDUSSCGKSA-N	-1	3	302.282	2.519	40	0		DFABHM
COC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(C)cc2)c1	ZINC000013669224	425759296	/nfs/dbraw/zinc/75/92/96/425759296.db2.gz	KLQITYPVSOTIJI-UHFFFAOYSA-N	-1	3	319.382	2.724	40	0		DFABHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C	ZINC000075081348	426061649	/nfs/dbraw/zinc/06/16/49/426061649.db2.gz	OPLXMVOXFAIPEA-UHFFFAOYSA-N	-1	3	323.345	2.722	40	0		DFABHM
Cn1c2[n-]c(SC3CCCCC3)nc2c(=S)n(C)c1=O	ZINC000101111084	426483957	/nfs/dbraw/zinc/48/39/57/426483957.db2.gz	OZGPMRFSNJYMGJ-UHFFFAOYSA-N	-1	3	310.448	2.754	40	0		DFABHM
C[C@@H](CCNC(=O)c1c[n-]nn1)c1cccc(C(F)(F)F)c1	ZINC000078966913	185136581	/nfs/dbraw/zinc/13/65/81/185136581.db2.gz	GYAJANIDTVRYBW-VIFPVBQESA-N	-1	3	312.295	2.747	40	0		DFABHM
C[C@@H](CCNC(=O)c1cnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000078966913	185136583	/nfs/dbraw/zinc/13/65/83/185136583.db2.gz	GYAJANIDTVRYBW-VIFPVBQESA-N	-1	3	312.295	2.747	40	0		DFABHM
C[C@@H](CCNC(=O)c1cn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000078966913	185136585	/nfs/dbraw/zinc/13/65/85/185136585.db2.gz	GYAJANIDTVRYBW-VIFPVBQESA-N	-1	3	312.295	2.747	40	0		DFABHM
CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1	ZINC000079014349	185146679	/nfs/dbraw/zinc/14/66/79/185146679.db2.gz	BDOIZBXNDBHJIC-NSHDSACASA-N	-1	3	322.380	2.755	40	0		DFABHM
O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl	ZINC000008377199	398373334	/nfs/dbraw/zinc/37/33/34/398373334.db2.gz	MJNXOCKCCAWZEG-WDEREUQCSA-N	-1	3	324.229	2.575	40	0		DFABHM
Cc1c2ccccc2[nH]c1CN1CCc2c(nc(C)[n-]c2=O)C1	ZINC000072347447	191127982	/nfs/dbraw/zinc/12/79/82/191127982.db2.gz	YPLFVGADLWYZNT-UHFFFAOYSA-N	-1	3	308.385	2.839	40	0		DFABHM
COC(=O)c1cnc(SCc2nc3c(cccc3F)[nH]2)[n-]1	ZINC000193543062	201072962	/nfs/dbraw/zinc/07/29/62/201072962.db2.gz	KRULOCSWZGQJJX-UHFFFAOYSA-N	-1	3	306.322	2.504	40	0		DFABHM
CC(C)N1CCC[C@H]1c1cncc(-c2cncc(C(=O)[O-])c2)n1	ZINC000257338914	203061113	/nfs/dbraw/zinc/06/11/13/203061113.db2.gz	YZKUQEXYZIYELN-INIZCTEOSA-N	-1	3	312.373	2.782	40	0		DFABHM
Cc1ccccc1CNc1nc(C[C@H](C)n2cccn2)cc(=O)[n-]1	ZINC000019237286	182111206	/nfs/dbraw/zinc/11/12/06/182111206.db2.gz	JDNXCTTXLDTRGZ-AWEZNQCLSA-N	-1	3	323.400	2.691	40	0		DFABHM
Cc1cc(C(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[n-]2)on1	ZINC000019119868	182105130	/nfs/dbraw/zinc/10/51/30/182105130.db2.gz	UJHKJBIFTNGLHB-LBPRGKRZSA-N	-1	3	316.361	2.579	40	0		DFABHM
Cc1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)[n-]c(=O)c1C	ZINC000019555387	182130357	/nfs/dbraw/zinc/13/03/57/182130357.db2.gz	GEFBZMOMAYNJQH-HNNXBMFYSA-N	-1	3	315.392	2.905	40	0		DFABHM
COC(=O)c1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000040176872	183043965	/nfs/dbraw/zinc/04/39/65/183043965.db2.gz	UEBSYOMRFIKEQK-UHFFFAOYSA-N	-1	3	322.320	2.567	40	0		DFABHM
COC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000040176872	183043967	/nfs/dbraw/zinc/04/39/67/183043967.db2.gz	UEBSYOMRFIKEQK-UHFFFAOYSA-N	-1	3	322.320	2.567	40	0		DFABHM
N[C@@H](CC(=O)[O-])c1cc(Br)ccc1OC(F)F	ZINC000044215915	183398728	/nfs/dbraw/zinc/39/87/28/183398728.db2.gz	HMRMYVZFYOGUGR-ZETCQYMHSA-N	-1	3	310.094	2.525	40	0		DFABHM
C[C@H](C(=O)[O-])N1CCN(Cc2cccc(Cl)c2Cl)CC1	ZINC000083663487	542503514	/nfs/dbraw/zinc/50/35/14/542503514.db2.gz	IZHHVXXMTZPUKW-SNVBAGLBSA-N	-1	3	317.216	2.584	40	0		DFABHM
O=S(=O)([N-]CCc1c[nH]c2ccc(F)cc12)c1cccs1	ZINC000009873844	425694361	/nfs/dbraw/zinc/69/43/61/425694361.db2.gz	YJOKWXJNCUHWGL-UHFFFAOYSA-N	-1	3	324.402	2.890	40	0		DFABHM
Cc1cc(CN2CCc3c(=O)[n-]c(C)nc3C2)c(C)n1C1CC1	ZINC000036735025	425846439	/nfs/dbraw/zinc/84/64/39/425846439.db2.gz	UOCFDUULZYVTHZ-UHFFFAOYSA-N	-1	3	312.417	2.802	40	0		DFABHM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000078234612	426162251	/nfs/dbraw/zinc/16/22/51/426162251.db2.gz	STFMBJSGWGEIBT-UHFFFAOYSA-N	-1	3	322.361	2.609	40	0		DFABHM
CCc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000078736782	426183937	/nfs/dbraw/zinc/18/39/37/426183937.db2.gz	HGKRIEFAWFNICH-JTQLQIEISA-N	-1	3	308.403	2.893	40	0		DFABHM
O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1n[nH]c2ccccc21	ZINC000079482588	426193528	/nfs/dbraw/zinc/19/35/28/426193528.db2.gz	YTUUOSDLWIBJLY-JTQLQIEISA-N	-1	3	315.358	2.518	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(C)c1	ZINC000222680647	426583192	/nfs/dbraw/zinc/58/31/92/426583192.db2.gz	LDAOKXWMBVQLHU-NSHDSACASA-N	-1	3	308.403	2.948	40	0		DFABHM
CCOC(=O)CCCN(C)C(=O)c1ccc2[n-]c(Cl)nc2c1	ZINC000225978630	426616248	/nfs/dbraw/zinc/61/62/48/426616248.db2.gz	CSAMGOMKSDBPNH-UHFFFAOYSA-N	-1	3	323.780	2.632	40	0		DFABHM
CO[C@H]1CCCOC12CCN(Cc1ccc(C(=O)[O-])cc1)CC2	ZINC000257250873	427323191	/nfs/dbraw/zinc/32/31/91/427323191.db2.gz	JOJPVIXGIZRRPR-INIZCTEOSA-N	-1	3	319.401	2.545	40	0		DFABHM
CN1CCC[C@@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257304592	427331340	/nfs/dbraw/zinc/33/13/40/427331340.db2.gz	SMIPZRCIMIIGSG-ZDUSSCGKSA-N	-1	3	311.385	2.726	40	0		DFABHM
CCOC([O-])=NC(=S)Nc1ccc(Br)c(C)n1	ZINC000202493067	563679100	/nfs/dbraw/zinc/67/91/00/563679100.db2.gz	FEWIOOYDNPJMRQ-UHFFFAOYSA-N	-1	3	318.196	2.595	40	0		DFABHM
CCOC(=O)[N-]C(=S)Nc1ccc(Br)c(C)n1	ZINC000202493067	563679101	/nfs/dbraw/zinc/67/91/01/563679101.db2.gz	FEWIOOYDNPJMRQ-UHFFFAOYSA-N	-1	3	318.196	2.595	40	0		DFABHM
Cc1cccc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1[O-]	ZINC000078997662	185143675	/nfs/dbraw/zinc/14/36/75/185143675.db2.gz	YRYAPTNAWYNSIK-QRQCRPRQSA-N	-1	3	317.410	2.550	40	0		DFABHM
C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000000249106	398345547	/nfs/dbraw/zinc/34/55/47/398345547.db2.gz	WWMBCTJTJQTNDI-VYUIOLGVSA-N	-1	3	316.279	2.779	40	0		DFABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1C	ZINC000032081023	398525994	/nfs/dbraw/zinc/52/59/94/398525994.db2.gz	QPXMXAIWENDMPU-UHFFFAOYSA-N	-1	3	318.398	2.512	40	0		DFABHM
O=C([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1	ZINC000006061216	181309079	/nfs/dbraw/zinc/30/90/79/181309079.db2.gz	IWUFTOBAXFRALB-IRXDYDNUSA-N	-1	3	309.365	2.702	40	0		DFABHM
O=C([O-])c1ccccc1-c1ccc(CNC2CCOCC2)o1	ZINC000257202011	202937306	/nfs/dbraw/zinc/93/73/06/202937306.db2.gz	AKCSVAHIINMOGW-UHFFFAOYSA-N	-1	3	301.342	2.913	40	0		DFABHM
O=C([O-])c1ccccc1-c1ccc(CNC2CCOCC2)nc1	ZINC000257273980	203002520	/nfs/dbraw/zinc/00/25/20/203002520.db2.gz	NJANGFXVVLOQOM-UHFFFAOYSA-N	-1	3	312.369	2.715	40	0		DFABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1	ZINC000019522510	182127333	/nfs/dbraw/zinc/12/73/33/182127333.db2.gz	DLCYPCCLDGBOKR-CQSZACIVSA-N	-1	3	315.392	2.851	40	0		DFABHM
CCc1cc(=O)[n-]c([C@H]2CCCN(Cc3cccc(F)c3)C2)n1	ZINC000019522511	182127390	/nfs/dbraw/zinc/12/73/90/182127390.db2.gz	DLCYPCCLDGBOKR-AWEZNQCLSA-N	-1	3	315.392	2.851	40	0		DFABHM
CC(C)c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)CC2	ZINC000019453777	182123568	/nfs/dbraw/zinc/12/35/68/182123568.db2.gz	YSPKLJFFJBYFIZ-UHFFFAOYSA-N	-1	3	315.392	2.633	40	0		DFABHM
Cc1cc(Cl)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000019937422	182167246	/nfs/dbraw/zinc/16/72/46/182167246.db2.gz	YLXVJMZXRVUCOP-UHFFFAOYSA-N	-1	3	305.765	2.530	40	0		DFABHM
CC[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937562	182167794	/nfs/dbraw/zinc/16/77/94/182167794.db2.gz	YSIBUUVHZOTASL-JTQLQIEISA-N	-1	3	319.792	2.548	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(OC(C)C)c1	ZINC000056104352	184004765	/nfs/dbraw/zinc/00/47/65/184004765.db2.gz	LCLCSDGYDPXMIH-UHFFFAOYSA-N	-1	3	324.402	2.557	40	0		DFABHM
Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)CC(C)C	ZINC000084017068	542505296	/nfs/dbraw/zinc/50/52/96/542505296.db2.gz	OXGFROVRNKKCLV-UHFFFAOYSA-N	-1	3	307.419	2.887	40	0		DFABHM
CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000006324850	257218420	/nfs/dbraw/zinc/21/84/20/257218420.db2.gz	PMEGNXFHJAWAPM-SSDOTTSWSA-N	-1	3	312.254	2.978	40	0		DFABHM
C[C@@H]1CCCC2=C1NN(C(=O)C(C)(C)C)[C@@]2([O-])C(F)(F)F	ZINC000409176519	257221145	/nfs/dbraw/zinc/22/11/45/257221145.db2.gz	PYTHXMVZNBSUAX-KKFJDGPESA-N	-1	3	306.328	2.918	40	0		DFABHM
CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1	ZINC000409069084	257223333	/nfs/dbraw/zinc/22/33/33/257223333.db2.gz	LFUNMZNLEYDIIM-ZDUSSCGKSA-N	-1	3	318.270	2.935	40	0		DFABHM
O=C([N-]C1=NC(=O)CS1)Nc1ccc(Cl)c(Cl)c1	ZINC000006511448	425627290	/nfs/dbraw/zinc/62/72/90/425627290.db2.gz	QAWCIGXZUPLODG-UHFFFAOYSA-N	-1	3	304.158	2.744	40	0		DFABHM
COc1ccc(CNC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1	ZINC000035290304	425844010	/nfs/dbraw/zinc/84/40/10/425844010.db2.gz	TZWYFQXFYNJNHJ-UHFFFAOYSA-N	-1	3	322.364	2.775	40	0		DFABHM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2N1	ZINC000078403885	426168007	/nfs/dbraw/zinc/16/80/07/426168007.db2.gz	KMEZFJXYBLJHIA-JTQLQIEISA-N	-1	3	306.362	2.983	40	0		DFABHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1	ZINC000078403976	426168133	/nfs/dbraw/zinc/16/81/33/426168133.db2.gz	YWJBOXVCFJVDSN-NSHDSACASA-N	-1	3	318.398	2.853	40	0		DFABHM
CC(C)CN1CCc2c(nc3cc(C(C)(C)C)[n-]n3c2=O)C1	ZINC000100482888	426482217	/nfs/dbraw/zinc/48/22/17/426482217.db2.gz	QNNWCRKOUAJOSJ-UHFFFAOYSA-N	-1	3	302.422	2.747	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCCCC2)cc1	ZINC000011660955	398383556	/nfs/dbraw/zinc/38/35/56/398383556.db2.gz	PWVAVSAJJISRKS-UHFFFAOYSA-N	-1	3	324.446	2.901	40	0		DFABHM
CCN1CCCC[C@@H]1c1cc([N-]c2nncs2)nc(C)n1	ZINC000072384599	191144363	/nfs/dbraw/zinc/14/43/63/191144363.db2.gz	CWHXEEUAYSZHOD-GFCCVEGCSA-N	-1	3	304.423	2.927	40	0		DFABHM
Cc1nc(-c2ccc(I)cc2)cc(=O)[n-]1	ZINC000409430903	398696924	/nfs/dbraw/zinc/69/69/24/398696924.db2.gz	NXKIJDBRQFTPPT-UHFFFAOYSA-N	-1	3	312.110	2.762	40	0		DFABHM
O=C([O-])[C@H](CC(=O)Nc1ccccc1Cl)NCc1ccco1	ZINC000004318856	181097076	/nfs/dbraw/zinc/09/70/76/181097076.db2.gz	DZCBCIIBROUNSS-ZDUSSCGKSA-N	-1	3	322.748	2.505	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)CCc1ccccc1	ZINC000016092397	182033549	/nfs/dbraw/zinc/03/35/49/182033549.db2.gz	RTCCLJAYAAUBBM-LLVKDONJSA-N	-1	3	308.403	2.591	40	0		DFABHM
O=c1[n-]c(-c2ccccc2)nc(Cc2ccccc2)c1CCO	ZINC000016972487	182067442	/nfs/dbraw/zinc/06/74/42/182067442.db2.gz	WXGPZVZZQKXGKO-UHFFFAOYSA-N	-1	3	306.365	2.563	40	0		DFABHM
Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)cc(=O)[n-]2)s1	ZINC000019118151	182105382	/nfs/dbraw/zinc/10/53/82/182105382.db2.gz	FBEJVTVWQPYVKP-NSHDSACASA-N	-1	3	318.402	2.541	40	0		DFABHM
O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc2nncn2c1	ZINC000084350638	542508967	/nfs/dbraw/zinc/50/89/67/542508967.db2.gz	PPSMJKXZQGTNHL-UHFFFAOYSA-N	-1	3	322.246	2.706	40	0		DFABHM
Cc1ccc(C(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)o1	ZINC000409057785	257223454	/nfs/dbraw/zinc/22/34/54/257223454.db2.gz	WJZJSHDHACYBHE-GFCCVEGCSA-N	-1	3	304.268	2.697	40	0		DFABHM
Cc1c([O-])[nH]c2c(I)cccc2c1=O	ZINC000606298986	543473345	/nfs/dbraw/zinc/47/33/45/543473345.db2.gz	BWMVNJYMIOUGFI-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
Cc1c([O-])c2cccc(I)c2[nH]c1=O	ZINC000606298986	543473347	/nfs/dbraw/zinc/47/33/47/543473347.db2.gz	BWMVNJYMIOUGFI-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2N)N1	ZINC000000871844	425572884	/nfs/dbraw/zinc/57/28/84/425572884.db2.gz	ROQRNSBNVCCPKG-CYBMUJFWSA-N	-1	3	315.295	2.522	40	0		DFABHM
Cc1ccccc1NC(=N)Nc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000000269242	425549725	/nfs/dbraw/zinc/54/97/25/425549725.db2.gz	DMFPCFIYSTYNJX-UHFFFAOYSA-N	-1	3	311.267	2.556	40	0		DFABHM
O=c1c2c([n-]n1-c1ccccc1)[nH]c(Cc1ccccc1)cc2=O	ZINC000008020726	425657742	/nfs/dbraw/zinc/65/77/42/425657742.db2.gz	RWURDDAJKRUFNQ-UHFFFAOYSA-N	-1	3	317.348	2.598	40	0		DFABHM
O=c1cc(Cc2ccccc2)[nH]c2nn(-c3ccccc3)c([O-])c21	ZINC000008020726	425657746	/nfs/dbraw/zinc/65/77/46/425657746.db2.gz	RWURDDAJKRUFNQ-UHFFFAOYSA-N	-1	3	317.348	2.598	40	0		DFABHM
O=c1c2c([O-])cc(Cc3ccccc3)[nH]c-2nn1-c1ccccc1	ZINC000008020726	425657748	/nfs/dbraw/zinc/65/77/48/425657748.db2.gz	RWURDDAJKRUFNQ-UHFFFAOYSA-N	-1	3	317.348	2.598	40	0		DFABHM
COc1cc([O-])c2c(c1)O[C@H](c1cc(O)cc(O)c1)CC2=O	ZINC000014728401	425773937	/nfs/dbraw/zinc/77/39/37/425773937.db2.gz	YEYLMQKEGSQNGZ-AWEZNQCLSA-N	-1	3	302.282	2.519	40	0	endogenous,in-man	DFABHM
Cn1c2[n-]c(SCCC(C)(C)C)nc2c(=S)n(C)c1=O	ZINC000017379732	425787459	/nfs/dbraw/zinc/78/74/59/425787459.db2.gz	JYSOLGRVTYZIHZ-UHFFFAOYSA-N	-1	3	312.464	2.858	40	0		DFABHM
COc1ccc2oc(-c3ccc(-n4cnnc4)cc3[O-])nc2c1	ZINC000045920463	425863086	/nfs/dbraw/zinc/86/30/86/425863086.db2.gz	DOSXNBARFROFJX-UHFFFAOYSA-N	-1	3	308.297	2.790	40	0		DFABHM
N[C@@H](c1nc(-c2ccccc2[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095533938	426373145	/nfs/dbraw/zinc/37/31/45/426373145.db2.gz	HPBHTDXWRSSZNK-CYBMUJFWSA-N	-1	3	300.749	2.879	40	0		DFABHM
Cc1cc(S(=O)(=O)[N-]Cc2cccc(N)c2)sc1Cl	ZINC000195578091	426540730	/nfs/dbraw/zinc/54/07/30/426540730.db2.gz	MOSDNIYLGFALKO-UHFFFAOYSA-N	-1	3	316.835	2.771	40	0		DFABHM
CCc1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)c([O-])c1	ZINC000191725276	427412061	/nfs/dbraw/zinc/41/20/61/427412061.db2.gz	JYJPSAKALAUNMZ-CYBMUJFWSA-N	-1	3	301.346	2.705	40	0		DFABHM
CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccn2)N1	ZINC000005711597	181275411	/nfs/dbraw/zinc/27/54/11/181275411.db2.gz	PRQUCJABGWOIIC-ZDUSSCGKSA-N	-1	3	315.295	2.725	40	0		DFABHM
O=C(CSc1nnc(-c2ccccc2[O-])o1)N1CCCCC1	ZINC000015885014	182023931	/nfs/dbraw/zinc/02/39/31/182023931.db2.gz	ATSAAFXONHKPNI-UHFFFAOYSA-N	-1	3	319.386	2.547	40	0		DFABHM
Cc1nc2ccccc2nc1COC(=O)c1ccc([O-])cc1O	ZINC000084057592	542506070	/nfs/dbraw/zinc/50/60/70/542506070.db2.gz	AKAMJAAWBAKTHH-UHFFFAOYSA-N	-1	3	310.309	2.706	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000069104598	425929216	/nfs/dbraw/zinc/92/92/16/425929216.db2.gz	DOIIVEYIRBJKNR-JMSVASOKSA-N	-1	3	312.435	2.785	40	0		DFABHM
COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1F	ZINC000008498775	425669882	/nfs/dbraw/zinc/66/98/82/425669882.db2.gz	WILBHFJPCUKZHO-UHFFFAOYSA-N	-1	3	317.288	2.913	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2	ZINC000007306012	425640841	/nfs/dbraw/zinc/64/08/41/425640841.db2.gz	NPQJQOCFRHAPJH-UHFFFAOYSA-N	-1	3	310.419	2.539	40	0		DFABHM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000078234658	426162429	/nfs/dbraw/zinc/16/24/29/426162429.db2.gz	WINKWBWFCMKCNT-UHFFFAOYSA-N	-1	3	318.398	2.779	40	0		DFABHM
COc1cc(C(=O)NCCCCc2nc(C)cs2)ccc1[O-]	ZINC000084268248	426235487	/nfs/dbraw/zinc/23/54/87/426235487.db2.gz	WEIGGKVWLGNPRK-UHFFFAOYSA-N	-1	3	320.414	2.918	40	0		DFABHM
COCCOc1c2cc(Br)ccc2oc1C(=O)[O-]	ZINC000096510847	426438400	/nfs/dbraw/zinc/43/84/00/426438400.db2.gz	GXZMNPMWKOZVTQ-UHFFFAOYSA-N	-1	3	315.119	2.919	40	0		DFABHM
CO[C@@H]1CCCOC12CCN(Cc1ccc(C(=O)[O-])cc1)CC2	ZINC000257250874	427324434	/nfs/dbraw/zinc/32/44/34/427324434.db2.gz	JOJPVIXGIZRRPR-MRXNPFEDSA-N	-1	3	319.401	2.545	40	0		DFABHM
Cc1n[n-]c2c1=Nc1c(-c3ccccc3Cl)cnc(C)c1CN=2	ZINC000265540584	280191959	/nfs/dbraw/zinc/19/19/59/280191959.db2.gz	HPAWTBZROJHZAQ-UHFFFAOYSA-N	-1	3	323.787	2.857	40	0		DFABHM
O=c1[n-]c(Cl)nc2cccc(I)c12	ZINC000026899505	280455781	/nfs/dbraw/zinc/45/57/81/280455781.db2.gz	XYLBHVYPDJQFJS-UHFFFAOYSA-N	-1	3	306.490	2.593	40	0		DFABHM
CC(C)c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1	ZINC000019452503	280566688	/nfs/dbraw/zinc/56/66/88/280566688.db2.gz	OTVMFJQISZZWCK-OCCSQVGLSA-N	-1	3	315.417	2.747	40	0		DFABHM
C[C@H](Cc1ccsc1)NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000084640953	398405899	/nfs/dbraw/zinc/40/58/99/398405899.db2.gz	MHKDHISVRAHBIJ-LLVKDONJSA-N	-1	3	312.394	2.951	40	0		DFABHM
CCC[C@]1(C)Nc2ccccc2[C@H]2C(=O)[N-]C(SC)=NN21	ZINC000588229272	398490955	/nfs/dbraw/zinc/49/09/55/398490955.db2.gz	RMJZJVJUPQYXPT-SWLSCSKDSA-N	-1	3	304.419	2.735	40	0		DFABHM
Cc1oc2ccccc2c1CN1CCc2c(nc(C)[n-]c2=O)C1	ZINC000072347445	191127104	/nfs/dbraw/zinc/12/71/04/191127104.db2.gz	SCFZMAPBCJQNFF-UHFFFAOYSA-N	-1	3	309.369	2.691	40	0		DFABHM
CCCCOc1ccc([C@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1	ZINC000001880477	180900746	/nfs/dbraw/zinc/90/07/46/180900746.db2.gz	NFRCXIFPMBJPAU-IBGZPJMESA-N	-1	3	324.380	2.949	40	0		DFABHM
Cc1cccc(NC(=O)C[C@H](NCc2ccccc2)C(=O)[O-])c1	ZINC000006055548	181308764	/nfs/dbraw/zinc/30/87/64/181308764.db2.gz	MQIVIQSYKJJPAO-INIZCTEOSA-N	-1	3	312.369	2.567	40	0		DFABHM
Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(F)cc21	ZINC000080610377	399162677	/nfs/dbraw/zinc/16/26/77/399162677.db2.gz	UAXABNRTFJFFAV-UHFFFAOYSA-N	-1	3	315.348	2.544	40	0		DFABHM
Cc1cc([O-])cc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)c1	ZINC000195555741	399185463	/nfs/dbraw/zinc/18/54/63/399185463.db2.gz	KXXCGSLDOPPYAO-UHFFFAOYSA-N	-1	3	318.417	2.515	40	0		DFABHM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)[C@H](c1ccccc1)C2	ZINC000018168414	182095711	/nfs/dbraw/zinc/09/57/11/182095711.db2.gz	SBDMJDUDXQFJHP-GOEBONIOSA-N	-1	3	303.365	2.824	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1	ZINC000019118134	182104967	/nfs/dbraw/zinc/10/49/67/182104967.db2.gz	PBTXQECHYJJUNC-CQSZACIVSA-N	-1	3	315.348	2.536	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1	ZINC000019118123	182105264	/nfs/dbraw/zinc/10/52/64/182105264.db2.gz	CWAHLYXEOFTIIC-AWEZNQCLSA-N	-1	3	315.348	2.536	40	0		DFABHM
N[C@H](CC(=O)[O-])c1cc(Br)ccc1OC(F)F	ZINC000044215912	183398549	/nfs/dbraw/zinc/39/85/49/183398549.db2.gz	HMRMYVZFYOGUGR-SSDOTTSWSA-N	-1	3	310.094	2.525	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc2ccccc2c1	ZINC000069041262	425926851	/nfs/dbraw/zinc/92/68/51/425926851.db2.gz	AWKBEIYPLQUBOM-UHFFFAOYSA-N	-1	3	316.382	2.923	40	0		DFABHM
CC(=O)c1ccc(N2C(=O)CC(=Cc3ccccc3[O-])C2=O)cc1	ZINC000001715322	425584382	/nfs/dbraw/zinc/58/43/82/425584382.db2.gz	TWFFYDNKLQQBRP-GDNBJRDFSA-N	-1	3	321.332	2.942	40	0		DFABHM
COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[n-]c12	ZINC000013116841	425748614	/nfs/dbraw/zinc/74/86/14/425748614.db2.gz	XIIVPABVOIFYAE-UHFFFAOYSA-N	-1	3	314.366	2.528	40	0		DFABHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1	ZINC000078403973	426168244	/nfs/dbraw/zinc/16/82/44/426168244.db2.gz	JCTVFLYPRNFTHY-NSHDSACASA-N	-1	3	318.398	2.853	40	0		DFABHM
O=C1[N-]C(=O)[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)N1	ZINC000001670876	280280085	/nfs/dbraw/zinc/28/00/85/280280085.db2.gz	LUDKHCBYFRDZCK-MRXNPFEDSA-N	-1	3	300.745	2.617	40	0		DFABHM
O=C(OCc1ccccc1)c1cccc(-c2cnc[n-]c2=O)c1	ZINC000096312676	398659298	/nfs/dbraw/zinc/65/92/98/398659298.db2.gz	MJEUAXXXKDHKHB-UHFFFAOYSA-N	-1	3	306.321	2.794	40	0		DFABHM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1F	ZINC000074931915	191389448	/nfs/dbraw/zinc/38/94/48/191389448.db2.gz	VLVGZOOHVQFCQX-UHFFFAOYSA-N	-1	3	323.345	2.706	40	0		DFABHM
Cc1cccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[n-]c12	ZINC000005626130	181265212	/nfs/dbraw/zinc/26/52/12/181265212.db2.gz	ZGIDBASOOXRERH-UHFFFAOYSA-N	-1	3	310.328	2.906	40	0		DFABHM
CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccn2)N1	ZINC000005711593	181275144	/nfs/dbraw/zinc/27/51/44/181275144.db2.gz	PRQUCJABGWOIIC-CYBMUJFWSA-N	-1	3	315.295	2.725	40	0		DFABHM
O=C1C=CC(=C2Nc3cc([O-])cc(Br)c3O2)C=C1	ZINC000138816775	398880157	/nfs/dbraw/zinc/88/01/57/398880157.db2.gz	IVFWABSHZFOMIG-UHFFFAOYSA-N	-1	3	306.115	2.866	40	0		DFABHM
CN(C(=O)c1cc([O-])ccc1C(F)(F)F)c1nncs1	ZINC000193827955	201129418	/nfs/dbraw/zinc/12/94/18/201129418.db2.gz	WZSLPYFBFWZUMB-UHFFFAOYSA-N	-1	3	303.265	2.539	40	0		DFABHM
Cc1cc2c([n-]c(CC(=O)c3cccc(F)c3)nc2=O)s1	ZINC000194564439	201253472	/nfs/dbraw/zinc/25/34/72/201253472.db2.gz	AVRQJHBFUZNFPI-UHFFFAOYSA-N	-1	3	302.330	2.858	40	0		DFABHM
CC(=O)N1CCCC[C@H]1c1csc([N-]c2cnccn2)n1	ZINC000257275957	203003470	/nfs/dbraw/zinc/00/34/70/203003470.db2.gz	NRSCAUALMIUNLE-LBPRGKRZSA-N	-1	3	303.391	2.750	40	0		DFABHM
Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1	ZINC000257282451	203011025	/nfs/dbraw/zinc/01/10/25/203011025.db2.gz	OTVAGQMUWIFBBN-HNNXBMFYSA-N	-1	3	313.401	2.871	40	0		DFABHM
COc1ccc2c(c1)[n-]cc(C(=O)NCCc1ccccc1)c2=O	ZINC000015973884	182026965	/nfs/dbraw/zinc/02/69/65/182026965.db2.gz	ZRNTVSGIYXEDEC-UHFFFAOYSA-N	-1	3	322.364	2.509	40	0		DFABHM
CC[NH+](CC)Cc1c([O-])nc(SCc2ccccc2)[n-]c1=O	ZINC000019144973	182105917	/nfs/dbraw/zinc/10/59/17/182105917.db2.gz	VGIAIQTWKINIRA-UHFFFAOYSA-N	-1	3	319.430	2.610	40	0		DFABHM
CCN(CC)CC1C(=O)N=C(SCc2ccccc2)N=C1[O-]	ZINC000019144973	182105919	/nfs/dbraw/zinc/10/59/19/182105919.db2.gz	VGIAIQTWKINIRA-UHFFFAOYSA-N	-1	3	319.430	2.610	40	0		DFABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000020457662	182220088	/nfs/dbraw/zinc/22/00/88/182220088.db2.gz	OYHFNKUKQFVJAY-UHFFFAOYSA-N	-1	3	323.345	2.554	40	0		DFABHM
O=C(Nc1ccc2c(c1)OCO2)c1c[n-]c2ccccc2c1=O	ZINC000022233935	182314010	/nfs/dbraw/zinc/31/40/10/182314010.db2.gz	YSXWVOVMWHDXGN-UHFFFAOYSA-N	-1	3	308.293	2.509	40	0		DFABHM
O=C(Nc1ccc2c(c1)OCO2)c1cnc2ccccc2c1[O-]	ZINC000022233935	182314013	/nfs/dbraw/zinc/31/40/13/182314013.db2.gz	YSXWVOVMWHDXGN-UHFFFAOYSA-N	-1	3	308.293	2.509	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc2ccccc21	ZINC000063764517	184288111	/nfs/dbraw/zinc/28/81/11/184288111.db2.gz	YMYMICTWHZOCDJ-UHFFFAOYSA-N	-1	3	316.382	2.923	40	0		DFABHM
CCOc1ccc(CSc2n[n-]c(-c3ccccn3)n2)nc1	ZINC000083203822	542501841	/nfs/dbraw/zinc/50/18/41/542501841.db2.gz	NIOWRGRQLBYSEP-UHFFFAOYSA-N	-1	3	313.386	2.953	40	0		DFABHM
O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[n-]nn1	ZINC000121753308	195340623	/nfs/dbraw/zinc/34/06/23/195340623.db2.gz	UDFSAKOHKYUYGN-PWSUYJOCSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cnn[n-]1	ZINC000121753308	195340625	/nfs/dbraw/zinc/34/06/25/195340625.db2.gz	UDFSAKOHKYUYGN-PWSUYJOCSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cn[n-]n1	ZINC000121753308	195340626	/nfs/dbraw/zinc/34/06/26/195340626.db2.gz	UDFSAKOHKYUYGN-PWSUYJOCSA-N	-1	3	324.306	2.890	40	0		DFABHM
CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2)N1	ZINC000000248831	425548834	/nfs/dbraw/zinc/54/88/34/425548834.db2.gz	UPXCUXHYFTZMNP-ZDUSSCGKSA-N	-1	3	300.280	2.795	40	0		DFABHM
CCCc1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000012881076	425741310	/nfs/dbraw/zinc/74/13/10/425741310.db2.gz	VMKKMEQKLKBRDS-UHFFFAOYSA-N	-1	3	303.753	2.581	40	0		DFABHM
O=C(NCCc1ccccc1)c1c[n-]c2c(F)cccc2c1=O	ZINC000012481674	425726768	/nfs/dbraw/zinc/72/67/68/425726768.db2.gz	GZQUJNCAZOFQAE-UHFFFAOYSA-N	-1	3	310.328	2.640	40	0		DFABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)cc1	ZINC000078403662	426168383	/nfs/dbraw/zinc/16/83/83/426168383.db2.gz	HSIAEMDWTVMQKX-UHFFFAOYSA-N	-1	3	318.398	2.854	40	0		DFABHM
Cc1nc(C)c(Cc2nc(CCCc3ccccc3)no2)c(=O)[n-]1	ZINC000078774574	426185601	/nfs/dbraw/zinc/18/56/01/426185601.db2.gz	UMCSBZGYXXIZIP-UHFFFAOYSA-N	-1	3	324.384	2.536	40	0		DFABHM
CC(C)OCCS(=O)(=O)[N-]c1cc(F)c(F)cc1Cl	ZINC000084621912	426242086	/nfs/dbraw/zinc/24/20/86/426242086.db2.gz	GTBNYFWKCLBZFA-UHFFFAOYSA-N	-1	3	313.753	2.785	40	0		DFABHM
CO[C@@H]1CCCC[C@@H](NC(=O)c2cc(C(C)C)ccc2[O-])[C@H]1O	ZINC000257237038	427320544	/nfs/dbraw/zinc/32/05/44/427320544.db2.gz	HEXQAGMCCNSFSY-DJIMGWMZSA-N	-1	3	321.417	2.564	40	0		DFABHM
CCc1nccn1[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1	ZINC000192577659	427565708	/nfs/dbraw/zinc/56/57/08/427565708.db2.gz	HOPJZPWRIFIZAS-UONOGXRCSA-N	-1	3	315.421	2.648	40	0		DFABHM
CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(F)c2)N1	ZINC000000794363	275871975	/nfs/dbraw/zinc/87/19/75/275871975.db2.gz	MEUWXSPKNMSOAH-CYBMUJFWSA-N	-1	3	318.270	2.935	40	0		DFABHM
COc1cc([O-])c2c(c1)O[C@H](c1ccc(O)cc1O)CC2=O	ZINC000014728065	277833634	/nfs/dbraw/zinc/83/36/34/277833634.db2.gz	FQGBGNHGEUOZIW-AWEZNQCLSA-N	-1	3	302.282	2.519	40	0		DFABHM
Cc1nn2c(nnc3c2CC=N[N-]C3=O)c1-c1ccc(F)cc1	ZINC000040392034	279217372	/nfs/dbraw/zinc/21/73/72/279217372.db2.gz	XBRMUNJXIAEYOA-UHFFFAOYSA-N	-1	3	310.292	2.576	40	0		DFABHM
O=[S@@](Cc1nccn1Cc1ccccc1)c1ccc([O-])cc1	ZINC000078953776	185135199	/nfs/dbraw/zinc/13/51/99/185135199.db2.gz	OZSWKMMOAICNTI-JOCHJYFZSA-N	-1	3	312.394	2.945	40	0		DFABHM
COCCN1CCC[C@H](c2csc([N-]c3cnccn3)n2)C1	ZINC000072363496	191133001	/nfs/dbraw/zinc/13/30/01/191133001.db2.gz	WGWYOUQWMHXYAI-LBPRGKRZSA-N	-1	3	319.434	2.503	40	0		DFABHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2ccccc2)N1	ZINC000006395018	181337338	/nfs/dbraw/zinc/33/73/38/181337338.db2.gz	VRQAYXGVHSXXGN-DYEKYZERSA-N	-1	3	312.291	2.649	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN2C(=O)CCc2ccccc2)n1	ZINC000019118094	182105193	/nfs/dbraw/zinc/10/51/93/182105193.db2.gz	ORVKDXODIZSVMT-OAHLLOKOSA-N	-1	3	311.385	2.787	40	0		DFABHM
CCc1cccc2c(CN3CCc4c(=O)[n-]c(C)nc4C3)c[nH]c21	ZINC000019523030	182127427	/nfs/dbraw/zinc/12/74/27/182127427.db2.gz	XJIPXBUAKJAUBX-UHFFFAOYSA-N	-1	3	322.412	2.680	40	0		DFABHM
C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC2CCCC2)n1	ZINC000019457440	182123749	/nfs/dbraw/zinc/12/37/49/182123749.db2.gz	UJCUFLYSKWHCPL-JTQLQIEISA-N	-1	3	321.812	2.778	40	0		DFABHM
CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC23CCC3)n1	ZINC000019452501	182124098	/nfs/dbraw/zinc/12/40/98/182124098.db2.gz	OTVMFJQISZZWCK-GXTWGEPZSA-N	-1	3	315.417	2.747	40	0		DFABHM
C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000245232517	257259319	/nfs/dbraw/zinc/25/93/19/257259319.db2.gz	WWMBCTJTJQTNDI-ZDMBXUJBSA-N	-1	3	316.279	2.779	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000069104600	425929394	/nfs/dbraw/zinc/92/93/94/425929394.db2.gz	DOIIVEYIRBJKNR-XUJVJEKNSA-N	-1	3	312.435	2.785	40	0		DFABHM
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000000041963	425531319	/nfs/dbraw/zinc/53/13/19/425531319.db2.gz	KLQNBASWMYRALN-UHFFFAOYSA-N	-1	3	320.370	2.974	40	0		DFABHM
CC[C@@]1(CCC(C)C)C(=O)N=C(Nc2ccccc2)[N-]C1=O	ZINC000002035547	425588205	/nfs/dbraw/zinc/58/82/05/425588205.db2.gz	AOSMTPQNAUBSBS-UHFFFAOYSA-N	-1	3	301.390	2.944	40	0		DFABHM
CCc1nnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[n-]1	ZINC000086170542	426255160	/nfs/dbraw/zinc/25/51/60/426255160.db2.gz	QTQOHULHDHZTOT-UHFFFAOYSA-N	-1	3	320.201	2.648	40	0		DFABHM
CCc1n[n-]c(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1	ZINC000086170542	426255163	/nfs/dbraw/zinc/25/51/63/426255163.db2.gz	QTQOHULHDHZTOT-UHFFFAOYSA-N	-1	3	320.201	2.648	40	0		DFABHM
COc1ccccc1CCN(C)[C@H](C)c1nc(C)cc(=O)[n-]1	ZINC000192573802	427566291	/nfs/dbraw/zinc/56/62/91/427566291.db2.gz	XFKZTNGONSYVPS-CYBMUJFWSA-N	-1	3	301.390	2.735	40	0		DFABHM
O=C1[N-]C(=O)[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1	ZINC000002043261	280280586	/nfs/dbraw/zinc/28/05/86/280280586.db2.gz	LUDKHCBYFRDZCK-INIZCTEOSA-N	-1	3	300.745	2.617	40	0		DFABHM
COCc1nc(C)cc(Sc2nnc(-c3cccs3)[n-]2)n1	ZINC000078953669	185135034	/nfs/dbraw/zinc/13/50/34/185135034.db2.gz	CBJHGGYIYXBPTH-UHFFFAOYSA-N	-1	3	319.415	2.929	40	0		DFABHM
COCc1nc(C)cc(Sc2nc(-c3cccs3)n[n-]2)n1	ZINC000078953669	185135037	/nfs/dbraw/zinc/13/50/37/185135037.db2.gz	CBJHGGYIYXBPTH-UHFFFAOYSA-N	-1	3	319.415	2.929	40	0		DFABHM
COCc1nc(C)cc(Sc2n[n-]c(-c3cccs3)n2)n1	ZINC000078953669	185135039	/nfs/dbraw/zinc/13/50/39/185135039.db2.gz	CBJHGGYIYXBPTH-UHFFFAOYSA-N	-1	3	319.415	2.929	40	0		DFABHM
O=S(=O)([N-][C@@H]1CCCC[C@H]1O)c1ccc(Cl)cc1Cl	ZINC000008377186	398373042	/nfs/dbraw/zinc/37/30/42/398373042.db2.gz	MJNXOCKCCAWZEG-GHMZBOCLSA-N	-1	3	324.229	2.575	40	0		DFABHM
COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)c([O-])c1	ZINC000083927855	398390513	/nfs/dbraw/zinc/39/05/13/398390513.db2.gz	OXRPEEYMCATCMR-LSDHHAIUSA-N	-1	3	313.353	2.695	40	0		DFABHM
COc1ccc(C(=O)NCCc2cccc(F)c2F)c([O-])c1	ZINC000083927860	192390513	/nfs/dbraw/zinc/39/05/13/192390513.db2.gz	HYMTVQQEZNKKJP-UHFFFAOYSA-N	-1	3	307.296	2.652	40	0		DFABHM
O=c1c2cc([O-])ccc2nc2n1CCc1c3ccccc3[nH]c1-2	ZINC000014689112	290912526	/nfs/dbraw/zinc/91/25/26/290912526.db2.gz	NDJIQTYBQIKAGG-UHFFFAOYSA-N	-1	3	303.321	2.807	40	0	biogenic,in-vitro	DFABHM
Cc1nc([N-]c2nncs2)cc([C@H]2CCN(C(C)C)C2)n1	ZINC000072382652	191142877	/nfs/dbraw/zinc/14/28/77/191142877.db2.gz	DIAJSSXMSCPFEY-NSHDSACASA-N	-1	3	304.423	2.578	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OC(C)C)cc1	ZINC000074988439	191402535	/nfs/dbraw/zinc/40/25/35/191402535.db2.gz	XPVQJLLCWSBURW-UHFFFAOYSA-N	-1	3	324.402	2.557	40	0		DFABHM
Cc1cc(=O)[n-]c([C@]2(C)CCCN2C(=O)c2cccc(F)c2)n1	ZINC000257334753	203056343	/nfs/dbraw/zinc/05/63/43/203056343.db2.gz	YHGKBSLLDZTIQL-KRWDZBQOSA-N	-1	3	315.348	2.781	40	0		DFABHM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@H]2CCCN(C)C2)n1	ZINC000257339474	203060768	/nfs/dbraw/zinc/06/07/68/203060768.db2.gz	ZBWHTWLROUJXRC-HNNXBMFYSA-N	-1	3	311.385	2.959	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1	ZINC000019117947	182105248	/nfs/dbraw/zinc/10/52/48/182105248.db2.gz	UQHYKKJGXHTTLS-AWEZNQCLSA-N	-1	3	301.365	2.597	40	0		DFABHM
Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)[n-]c(=O)c1C	ZINC000019555522	182130311	/nfs/dbraw/zinc/13/03/11/182130311.db2.gz	PYODHTINYBDJLO-AWEZNQCLSA-N	-1	3	315.348	2.503	40	0		DFABHM
CCC[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl	ZINC000020045755	182183865	/nfs/dbraw/zinc/18/38/65/182183865.db2.gz	CPWZDJQQZODLLX-VIFPVBQESA-N	-1	3	318.826	2.630	40	0		DFABHM
Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c([O-])c1	ZINC000021596220	182280959	/nfs/dbraw/zinc/28/09/59/182280959.db2.gz	AEARBLVOQNYGKD-UHFFFAOYSA-N	-1	3	304.346	2.967	40	0		DFABHM
COC(=O)c1ccc(CSc2nnc(-c3ccco3)[n-]2)o1	ZINC000408555691	257229623	/nfs/dbraw/zinc/22/96/23/257229623.db2.gz	HYGGLGLXUVVBKI-UHFFFAOYSA-N	-1	3	305.315	2.737	40	0		DFABHM
COC(=O)c1ccc(CSc2nc(-c3ccco3)n[n-]2)o1	ZINC000408555691	257229624	/nfs/dbraw/zinc/22/96/24/257229624.db2.gz	HYGGLGLXUVVBKI-UHFFFAOYSA-N	-1	3	305.315	2.737	40	0		DFABHM
COC(=O)c1ccc(CSc2n[n-]c(-c3ccco3)n2)o1	ZINC000408555691	257229625	/nfs/dbraw/zinc/22/96/25/257229625.db2.gz	HYGGLGLXUVVBKI-UHFFFAOYSA-N	-1	3	305.315	2.737	40	0		DFABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F	ZINC000032586082	425839054	/nfs/dbraw/zinc/83/90/54/425839054.db2.gz	OWJMQMUCFTUOES-UHFFFAOYSA-N	-1	3	317.288	2.913	40	0		DFABHM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)c1	ZINC000078403681	426168423	/nfs/dbraw/zinc/16/84/23/426168423.db2.gz	ALFHVRBEAWHNIW-UHFFFAOYSA-N	-1	3	316.382	2.658	40	0		DFABHM
COc1ccc2c(c1)N1C([S-])N=N[C@H]1C=C2c1ccccc1	ZINC000096305851	426412449	/nfs/dbraw/zinc/41/24/49/426412449.db2.gz	UMRJKLKMGBHQSF-MRXNPFEDSA-N	-1	3	309.394	2.666	40	0		DFABHM
Cn1cccc1CCNC(=O)c1ccc2[n-]c(Cl)nc2c1	ZINC000225986167	426615695	/nfs/dbraw/zinc/61/56/95/426615695.db2.gz	KOEVBAIBOLHPDJ-UHFFFAOYSA-N	-1	3	302.765	2.527	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@]2(C)CCCN2C(=O)c2ccccc2F)n1	ZINC000257226049	427316398	/nfs/dbraw/zinc/31/63/98/427316398.db2.gz	FIXLVBLBASYJMQ-QGZVFWFLSA-N	-1	3	315.348	2.781	40	0		DFABHM
C=Cn1nnc([N-]C(=O)c2sc3ccccc3c2Cl)n1	ZINC000010119610	398376620	/nfs/dbraw/zinc/37/66/20/398376620.db2.gz	JDLBUJCAUPFVAI-UHFFFAOYSA-N	-1	3	305.750	2.894	40	0		DFABHM
CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc([O-])c2)N1	ZINC000000108425	180695567	/nfs/dbraw/zinc/69/55/67/180695567.db2.gz	QQUZGIUSOJXYRJ-CYBMUJFWSA-N	-1	3	316.279	2.645	40	0		DFABHM
Cc1nc(C)c(CCC(=O)NCC2CCCCCCC2)c(=O)[n-]1	ZINC000079179631	399023192	/nfs/dbraw/zinc/02/31/92/399023192.db2.gz	PELAOQPZSVHCEH-UHFFFAOYSA-N	-1	3	319.449	2.796	40	0		DFABHM
CC(C)(C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937563	182167833	/nfs/dbraw/zinc/16/78/33/182167833.db2.gz	COLPPYNJRRDHMV-UHFFFAOYSA-N	-1	3	319.792	2.548	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)c(Cl)c1	ZINC000022526394	182324999	/nfs/dbraw/zinc/32/49/99/182324999.db2.gz	DGRDTPZXCJETBJ-UHFFFAOYSA-N	-1	3	324.789	2.964	40	0		DFABHM
O=C([O-])[C@H](Cc1cccc(Br)c1)N1CCCCC1	ZINC000041562990	183202363	/nfs/dbraw/zinc/20/23/63/183202363.db2.gz	LXJVCJWWKNYMOQ-ZDUSSCGKSA-N	-1	3	312.207	2.931	40	0		DFABHM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1	ZINC000000044656	425531083	/nfs/dbraw/zinc/53/10/83/425531083.db2.gz	IUTUDKMGBFWYHK-HOTGVXAUSA-N	-1	3	323.348	2.523	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2ccccc21	ZINC000000152654	425540187	/nfs/dbraw/zinc/54/01/87/425540187.db2.gz	KDIKPKKWRJUNPV-AWEZNQCLSA-N	-1	3	306.387	2.647	40	0		DFABHM
Cc1ccccc1NC(=O)C[C@H](NCc1ccccc1)C(=O)[O-]	ZINC000000195881	425543824	/nfs/dbraw/zinc/54/38/24/425543824.db2.gz	OAXVMXHRCPKDIC-INIZCTEOSA-N	-1	3	312.369	2.567	40	0		DFABHM
CCc1nn2c(nnc3c2CC=N[N-]C3=O)c1-c1ccccc1	ZINC000040390814	425851421	/nfs/dbraw/zinc/85/14/21/425851421.db2.gz	SJABODKNJPORDQ-UHFFFAOYSA-N	-1	3	306.329	2.691	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2)c1	ZINC000113948517	426123546	/nfs/dbraw/zinc/12/35/46/426123546.db2.gz	AJIKFJHBMVIPMQ-UHFFFAOYSA-N	-1	3	324.789	2.964	40	0		DFABHM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2N1	ZINC000078403884	426168376	/nfs/dbraw/zinc/16/83/76/426168376.db2.gz	KMEZFJXYBLJHIA-SNVBAGLBSA-N	-1	3	306.362	2.983	40	0		DFABHM
O=S(=O)([N-]CCc1ccc(F)cc1)c1ccc(F)s1	ZINC000252504852	427182248	/nfs/dbraw/zinc/18/22/48/427182248.db2.gz	VNJYTLGGYFYMDC-UHFFFAOYSA-N	-1	3	303.355	2.547	40	0		DFABHM
COc1cc(C)c(NC(=O)c2cc(=O)[n-]c(C)n2)cc1C(C)C	ZINC000019567190	277372821	/nfs/dbraw/zinc/37/28/21/277372821.db2.gz	CDJKMJILTWNTPQ-UHFFFAOYSA-N	-1	3	315.373	2.771	40	0		DFABHM
Cc1c([O-])[nH]c2cc(I)ccc2c1=O	ZINC000685937474	546411301	/nfs/dbraw/zinc/41/13/01/546411301.db2.gz	WNWDGBBBMXBKRA-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
Cc1c([O-])c2ccc(I)cc2[nH]c1=O	ZINC000685937474	546411302	/nfs/dbraw/zinc/41/13/02/546411302.db2.gz	WNWDGBBBMXBKRA-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
O=C(c1cccc([O-])c1)N1CC2(C1)C[C@H](OCC1CC1)CS2	ZINC000575405031	398368841	/nfs/dbraw/zinc/36/88/41/398368841.db2.gz	QJWKZACPCMVGBX-HNNXBMFYSA-N	-1	3	319.426	2.519	40	0		DFABHM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN(C(C)C)C2)n1	ZINC000072360155	191132290	/nfs/dbraw/zinc/13/22/90/191132290.db2.gz	OVVJNJNRAHBWRH-GFCCVEGCSA-N	-1	3	318.450	2.968	40	0		DFABHM
CCN1CCCC[C@H]1c1cc([N-]c2nncs2)nc(C)n1	ZINC000072384600	191143774	/nfs/dbraw/zinc/14/37/74/191143774.db2.gz	CWHXEEUAYSZHOD-LBPRGKRZSA-N	-1	3	304.423	2.927	40	0		DFABHM
COc1cc([O-])c(OC)c(O)c1C(=O)CCc1ccccc1	ZINC000004716490	181141476	/nfs/dbraw/zinc/14/14/76/181141476.db2.gz	FXSMSBHKHZUDMO-UHFFFAOYSA-N	-1	3	302.326	2.931	40	0		DFABHM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000074931917	191389562	/nfs/dbraw/zinc/38/95/62/191389562.db2.gz	LXJIAUVJMPXOSY-UHFFFAOYSA-N	-1	3	323.345	2.706	40	0		DFABHM
Cc1ccc(S(=O)(=O)[N-]CCNc2ccccc2)c(F)c1	ZINC000079103855	399017289	/nfs/dbraw/zinc/01/72/89/399017289.db2.gz	DOSXYPPGLKZJQM-UHFFFAOYSA-N	-1	3	308.378	2.525	40	0		DFABHM
Cc1cc(C)nc([C@H]2CCN(Cc3cccc(C(=O)[O-])c3)C2)n1	ZINC000257277394	203006266	/nfs/dbraw/zinc/00/62/66/203006266.db2.gz	NXUHYGMOUWCZDJ-INIZCTEOSA-N	-1	3	311.385	2.781	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(Cc3cccc(F)c3F)C2)n1	ZINC000019117977	182105308	/nfs/dbraw/zinc/10/53/08/182105308.db2.gz	UDEWFPZDRJBKBS-CYBMUJFWSA-N	-1	3	319.355	2.736	40	0		DFABHM
Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[n-]2)s1	ZINC000019118153	182105418	/nfs/dbraw/zinc/10/54/18/182105418.db2.gz	FBEJVTVWQPYVKP-LLVKDONJSA-N	-1	3	318.402	2.541	40	0		DFABHM
O=c1cc([C@H]2CCCCN2CC2CC2)nc(-c2ccncc2)[n-]1	ZINC000019405827	182121484	/nfs/dbraw/zinc/12/14/84/182121484.db2.gz	JBRRQUSJVVJKQH-MRXNPFEDSA-N	-1	3	310.401	2.769	40	0		DFABHM
Cc1nc2c(c(=O)[n-]1)CCN(Cc1ccc3ncccc3c1)C2	ZINC000019576613	182131597	/nfs/dbraw/zinc/13/15/97/182131597.db2.gz	AJXOWIYVDXQQRO-UHFFFAOYSA-N	-1	3	306.369	2.597	40	0		DFABHM
C[C@@H](NCc1ccccc1F)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019458471	182124624	/nfs/dbraw/zinc/12/46/24/182124624.db2.gz	FMBQDRGJGYDOCZ-GFCCVEGCSA-N	-1	3	324.359	2.822	40	0		DFABHM
O=C(Nc1ccc2c(c1)OCCO2)c1c[n-]c2ccccc2c1=O	ZINC000022233938	182314300	/nfs/dbraw/zinc/31/43/00/182314300.db2.gz	ICFGBAXPCYUJIH-UHFFFAOYSA-N	-1	3	322.320	2.552	40	0		DFABHM
O=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccc2c1[O-]	ZINC000022233938	182314304	/nfs/dbraw/zinc/31/43/04/182314304.db2.gz	ICFGBAXPCYUJIH-UHFFFAOYSA-N	-1	3	322.320	2.552	40	0		DFABHM
CCOC(=O)c1c([O-])c(C(=O)OCC)n(C)c1-c1ccccc1	ZINC000033844846	257129862	/nfs/dbraw/zinc/12/98/62/257129862.db2.gz	LPDGLEHUIQGFHC-UHFFFAOYSA-N	-1	3	317.341	2.751	40	0		DFABHM
CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000078736779	426183319	/nfs/dbraw/zinc/18/33/19/426183319.db2.gz	HGKRIEFAWFNICH-SNVBAGLBSA-N	-1	3	308.403	2.893	40	0		DFABHM
O=C([N-]c1nnc([C@H]2CCCO2)s1)c1n[nH]c2ccccc21	ZINC000079482592	426193198	/nfs/dbraw/zinc/19/31/98/426193198.db2.gz	YTUUOSDLWIBJLY-SNVBAGLBSA-N	-1	3	315.358	2.518	40	0		DFABHM
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccccc2[O-])C1	ZINC000084200029	426233743	/nfs/dbraw/zinc/23/37/43/426233743.db2.gz	KJMUXJJZCRKIKE-NSHDSACASA-N	-1	3	306.362	2.588	40	0		DFABHM
O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nccc2ccccc21	ZINC000084598735	426240574	/nfs/dbraw/zinc/24/05/74/426240574.db2.gz	YOOMFCGZELEREB-UHFFFAOYSA-N	-1	3	316.324	2.667	40	0		DFABHM
O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21	ZINC000084598735	426240576	/nfs/dbraw/zinc/24/05/76/426240576.db2.gz	YOOMFCGZELEREB-UHFFFAOYSA-N	-1	3	316.324	2.667	40	0		DFABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000225547593	426606952	/nfs/dbraw/zinc/60/69/52/426606952.db2.gz	NGYFKOPNESUJHS-HOSYDEDBSA-N	-1	3	315.822	2.816	40	0		DFABHM
Cc1cc(C)nc([C@H]2CCN(Cc3ccccc3C(=O)[O-])C2)n1	ZINC000257227407	427318445	/nfs/dbraw/zinc/31/84/45/427318445.db2.gz	FPCUDLFOQZYBRZ-HNNXBMFYSA-N	-1	3	311.385	2.781	40	0		DFABHM
CCc1c([O-])[nH]c2ccc(I)cc2c1=O	ZINC000685937380	546411416	/nfs/dbraw/zinc/41/14/16/546411416.db2.gz	RPPYYHFRZILSDJ-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM
CCc1c([O-])c2cc(I)ccc2[nH]c1=O	ZINC000685937380	546411418	/nfs/dbraw/zinc/41/14/18/546411418.db2.gz	RPPYYHFRZILSDJ-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM
O=c1cc(CSc2nnc(Cc3cccs3)o2)occ1[O-]	ZINC000078817991	185114506	/nfs/dbraw/zinc/11/45/06/185114506.db2.gz	UZFJACCRVKGCNL-UHFFFAOYSA-N	-1	3	322.367	2.673	40	0		DFABHM
CCO[C@@H](C)c1nc(CN(C)Cc2cc(=O)c([O-])co2)cs1	ZINC000078947726	185133698	/nfs/dbraw/zinc/13/36/98/185133698.db2.gz	LYATYUQRURNJJO-JTQLQIEISA-N	-1	3	324.402	2.531	40	0		DFABHM
CCC[C@@]1(C)Nc2ccccc2[C@H]2C(=O)[N-]C(SC)=NN21	ZINC000588229273	398490899	/nfs/dbraw/zinc/49/08/99/398490899.db2.gz	RMJZJVJUPQYXPT-WFASDCNBSA-N	-1	3	304.419	2.735	40	0		DFABHM
COCCN1CCC[C@@H](c2csc([N-]c3cnccn3)n2)C1	ZINC000072363497	191133052	/nfs/dbraw/zinc/13/30/52/191133052.db2.gz	WGWYOUQWMHXYAI-GFCCVEGCSA-N	-1	3	319.434	2.503	40	0		DFABHM
C[C@@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])n1cncn1	ZINC000081459998	192270596	/nfs/dbraw/zinc/27/05/96/192270596.db2.gz	LMJASRXRGBLYHR-ZDUSSCGKSA-N	-1	3	322.368	2.774	40	0		DFABHM
Cc1cc(C)nc([C@@H]2CCN(Cc3cccc(C(=O)[O-])c3)C2)n1	ZINC000257277395	203006569	/nfs/dbraw/zinc/00/65/69/203006569.db2.gz	NXUHYGMOUWCZDJ-MRXNPFEDSA-N	-1	3	311.385	2.781	40	0		DFABHM
Cc1ccccc1CNc1nc(C[C@@H](C)n2cccn2)cc(=O)[n-]1	ZINC000019237287	182110912	/nfs/dbraw/zinc/11/09/12/182110912.db2.gz	JDNXCTTXLDTRGZ-CQSZACIVSA-N	-1	3	323.400	2.691	40	0		DFABHM
Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)[n-]c(=O)c1C	ZINC000019555384	182130523	/nfs/dbraw/zinc/13/05/23/182130523.db2.gz	GEFBZMOMAYNJQH-OAHLLOKOSA-N	-1	3	315.392	2.905	40	0		DFABHM
CC(C)c1cc(=O)[n-]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)n1	ZINC000019452505	182124094	/nfs/dbraw/zinc/12/40/94/182124094.db2.gz	OTVMFJQISZZWCK-TZMCWYRMSA-N	-1	3	315.417	2.747	40	0		DFABHM
O=C([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]2O)o1	ZINC000257220905	304266435	/nfs/dbraw/zinc/26/64/35/304266435.db2.gz	DMSRRQRPEJXDIO-HUUCEWRRSA-N	-1	3	301.342	2.648	40	0		DFABHM
COc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC)c([O-])c1	ZINC000083927854	542504611	/nfs/dbraw/zinc/50/46/11/542504611.db2.gz	OXRPEEYMCATCMR-CABCVRRESA-N	-1	3	313.353	2.695	40	0		DFABHM
Cc1ccc(C(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)o1	ZINC000409057792	257223748	/nfs/dbraw/zinc/22/37/48/257223748.db2.gz	WJZJSHDHACYBHE-LBPRGKRZSA-N	-1	3	304.268	2.697	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCCc1ccc(C)cc1	ZINC000224643289	542887655	/nfs/dbraw/zinc/88/76/55/542887655.db2.gz	AFXYQPWFHHPICJ-UHFFFAOYSA-N	-1	3	308.403	2.511	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000195551100	426538263	/nfs/dbraw/zinc/53/82/63/426538263.db2.gz	DOIIVEYIRBJKNR-SLEUVZQESA-N	-1	3	312.435	2.785	40	0		DFABHM
O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1cccc(F)c1	ZINC000195053059	426499931	/nfs/dbraw/zinc/49/99/31/426499931.db2.gz	RNAFTTRPPFXKEZ-UHFFFAOYSA-N	-1	3	323.374	2.646	40	0		DFABHM
O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1cccc(F)c1	ZINC000195053059	426499933	/nfs/dbraw/zinc/49/99/33/426499933.db2.gz	RNAFTTRPPFXKEZ-UHFFFAOYSA-N	-1	3	323.374	2.646	40	0		DFABHM
O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1cccc(F)c1	ZINC000195053059	426499935	/nfs/dbraw/zinc/49/99/35/426499935.db2.gz	RNAFTTRPPFXKEZ-UHFFFAOYSA-N	-1	3	323.374	2.646	40	0		DFABHM
CC(C)(CO)ON=C([O-])Nc1ccc(F)cc1C(F)(F)F	ZINC000296356204	427155715	/nfs/dbraw/zinc/15/57/15/427155715.db2.gz	DFVWAYLZDFXJOS-UHFFFAOYSA-N	-1	3	310.247	2.669	40	0		DFABHM
CC(C)(CO)O[N-]C(=O)Nc1ccc(F)cc1C(F)(F)F	ZINC000296356204	427155723	/nfs/dbraw/zinc/15/57/23/427155723.db2.gz	DFVWAYLZDFXJOS-UHFFFAOYSA-N	-1	3	310.247	2.669	40	0		DFABHM
CO[C@H]1CCCOC12CCN(Cc1cccc(C(=O)[O-])c1)CC2	ZINC000257337780	427330925	/nfs/dbraw/zinc/33/09/25/427330925.db2.gz	YUIDXQBVSVFHHQ-INIZCTEOSA-N	-1	3	319.401	2.545	40	0		DFABHM
Cc1sc(NC(=O)c2nnc[n-]2)nc1-c1ccc(F)cc1	ZINC000019555625	279285020	/nfs/dbraw/zinc/28/50/20/279285020.db2.gz	GAIBDSKKVJLGQX-UHFFFAOYSA-N	-1	3	303.322	2.628	40	0		DFABHM
Cc1sc(NC(=O)c2nc[n-]n2)nc1-c1ccc(F)cc1	ZINC000019555625	279285021	/nfs/dbraw/zinc/28/50/21/279285021.db2.gz	GAIBDSKKVJLGQX-UHFFFAOYSA-N	-1	3	303.322	2.628	40	0		DFABHM
CCOC(=O)[C@]([O-])(c1c(C)[nH]c2ccccc21)C(F)(F)F	ZINC000003653160	279627683	/nfs/dbraw/zinc/62/76/83/279627683.db2.gz	OKLMMCIKGHSFQE-CYBMUJFWSA-N	-1	3	301.264	2.789	40	0		DFABHM
CC(C)[C@H](N)c1nc(-c2cc(Br)ccc2[O-])n[nH]1	ZINC000095534756	185379318	/nfs/dbraw/zinc/37/93/18/185379318.db2.gz	KZKLBHFUHKYPBV-JTQLQIEISA-N	-1	3	311.183	2.596	40	0		DFABHM
C=Cn1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)n1	ZINC000010119652	398376729	/nfs/dbraw/zinc/37/67/29/398376729.db2.gz	LGRWLCXPWRISDE-UHFFFAOYSA-N	-1	3	315.720	2.939	40	0		DFABHM
CC[C@@H](Sc1ccccc1)C(=O)NCc1nc(C)cc(=O)[n-]1	ZINC000585141615	398435873	/nfs/dbraw/zinc/43/58/73/398435873.db2.gz	VZSGIYBBECUKFT-CYBMUJFWSA-N	-1	3	317.414	2.678	40	0		DFABHM
O=C([O-])CCN1CCN(Cc2cccc(Cl)c2Cl)CC1	ZINC000083663485	192378486	/nfs/dbraw/zinc/37/84/86/192378486.db2.gz	VTRLDEWUFNSGSS-UHFFFAOYSA-N	-1	3	317.216	2.586	40	0		DFABHM
COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C)c1	ZINC000074934597	191390421	/nfs/dbraw/zinc/39/04/21/191390421.db2.gz	KCHCRRJJFNVAOO-UHFFFAOYSA-N	-1	3	309.362	2.621	40	0		DFABHM
Cc1nc([C@@H]2CN(Cc3cccc4[nH]ccc43)CCO2)cc(=O)[n-]1	ZINC000257311935	203037514	/nfs/dbraw/zinc/03/75/14/203037514.db2.gz	ULROOBMZXPSAMU-KRWDZBQOSA-N	-1	3	324.384	2.545	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1	ZINC000016092396	182033534	/nfs/dbraw/zinc/03/35/34/182033534.db2.gz	RTCCLJAYAAUBBM-NSHDSACASA-N	-1	3	308.403	2.591	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(Cc3ccccc3F)C2)n1	ZINC000019117992	182104921	/nfs/dbraw/zinc/10/49/21/182104921.db2.gz	LEPBMSMLLQNRKE-AWEZNQCLSA-N	-1	3	301.365	2.597	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)CCc2ccccc2)n1	ZINC000019118091	182105422	/nfs/dbraw/zinc/10/54/22/182105422.db2.gz	ORVKDXODIZSVMT-HNNXBMFYSA-N	-1	3	311.385	2.787	40	0		DFABHM
COc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1	ZINC000022233889	182314293	/nfs/dbraw/zinc/31/42/93/182314293.db2.gz	HRXHWVJATJLKOQ-UHFFFAOYSA-N	-1	3	322.364	2.509	40	0		DFABHM
C[C@@H](C(=O)[O-])N1CCN(Cc2cccc(Cl)c2Cl)CC1	ZINC000083663486	542503749	/nfs/dbraw/zinc/50/37/49/542503749.db2.gz	IZHHVXXMTZPUKW-JTQLQIEISA-N	-1	3	317.216	2.584	40	0		DFABHM
COc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2OC)c([O-])c1	ZINC000083927856	542504727	/nfs/dbraw/zinc/50/47/27/542504727.db2.gz	OXRPEEYMCATCMR-GJZGRUSLSA-N	-1	3	313.353	2.695	40	0		DFABHM
O=C(Nc1ncccc1[O-])c1cnc2c(cnn2C2CCCC2)c1	ZINC000084357877	542508659	/nfs/dbraw/zinc/50/86/59/542508659.db2.gz	QZBRJIPYVJLYNU-UHFFFAOYSA-N	-1	3	323.356	2.899	40	0		DFABHM
CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccoc1Cl	ZINC000192348276	256591673	/nfs/dbraw/zinc/59/16/73/256591673.db2.gz	SLJBSLUCVFTUAQ-UHFFFAOYSA-N	-1	3	312.709	2.912	40	0		DFABHM
CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)o2)N1	ZINC000000356207	425555316	/nfs/dbraw/zinc/55/53/16/425555316.db2.gz	WRYLLCKDHLYZTP-LBPRGKRZSA-N	-1	3	304.268	2.841	40	0		DFABHM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	ZINC000001621913	425583126	/nfs/dbraw/zinc/58/31/26/425583126.db2.gz	IUTUDKMGBFWYHK-JKSUJKDBSA-N	-1	3	323.348	2.523	40	0		DFABHM
C[C@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000004559063	425618151	/nfs/dbraw/zinc/61/81/51/425618151.db2.gz	WWMBCTJTJQTNDI-RWEMILLDSA-N	-1	3	316.279	2.779	40	0		DFABHM
O=c1[n-]c(Cl)nc2c(I)cccc12	ZINC000026899516	425813818	/nfs/dbraw/zinc/81/38/18/425813818.db2.gz	CHJFBURJONTQCQ-UHFFFAOYSA-N	-1	3	306.490	2.593	40	0		DFABHM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000078234712	426161874	/nfs/dbraw/zinc/16/18/74/426161874.db2.gz	BXKKCVMKFPXUPQ-UHFFFAOYSA-N	-1	3	322.361	2.609	40	0		DFABHM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2N1	ZINC000078403889	426167982	/nfs/dbraw/zinc/16/79/82/426167982.db2.gz	PLYFLNGFZJRYMI-JTQLQIEISA-N	-1	3	306.362	2.983	40	0		DFABHM
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ncccc1[O-]	ZINC000084358866	426236450	/nfs/dbraw/zinc/23/64/50/426236450.db2.gz	GNAPUAUOELZTNW-UHFFFAOYSA-N	-1	3	310.353	2.878	40	0		DFABHM
Cc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2Cl)s1	ZINC000086071776	426256088	/nfs/dbraw/zinc/25/60/88/426256088.db2.gz	AHIWCLKPQSVGAH-UHFFFAOYSA-N	-1	3	316.835	2.892	40	0		DFABHM
COc1cc(Cl)c(Cl)c2c1[N-]C(Cl)=NS2(=O)=O	ZINC000095096752	426365394	/nfs/dbraw/zinc/36/53/94/426365394.db2.gz	SWCUDDJYSAJFKR-UHFFFAOYSA-N	-1	3	315.565	2.711	40	0		DFABHM
CCS(=O)(=O)c1cn[n-]c1-c1ccc(Br)cc1	ZINC000096510067	426437742	/nfs/dbraw/zinc/43/77/42/426437742.db2.gz	KWZHSGFSDLPJCL-UHFFFAOYSA-N	-1	3	315.192	2.633	40	0		DFABHM
CCS(=O)(=O)c1c[n-]nc1-c1ccc(Br)cc1	ZINC000096510067	426437744	/nfs/dbraw/zinc/43/77/44/426437744.db2.gz	KWZHSGFSDLPJCL-UHFFFAOYSA-N	-1	3	315.192	2.633	40	0		DFABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]2CC[C@@H]1C2	ZINC000225547621	426606490	/nfs/dbraw/zinc/60/64/90/426606490.db2.gz	NGYFKOPNESUJHS-UMNHJUIQSA-N	-1	3	315.822	2.816	40	0		DFABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3)c2)n1	ZINC000226097224	426617220	/nfs/dbraw/zinc/61/72/20/426617220.db2.gz	UWANTHHTVCXFKG-UHFFFAOYSA-N	-1	3	319.364	2.927	40	0		DFABHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2ccccc2)N1	ZINC000006394415	276186431	/nfs/dbraw/zinc/18/64/31/276186431.db2.gz	VRQAYXGVHSXXGN-MBNYWOFBSA-N	-1	3	312.291	2.649	40	0		DFABHM
CC12CN3CC(C)(CN(C1)C3c1ccc([O-])c3ncccc13)C2	ZINC000079191548	281612774	/nfs/dbraw/zinc/61/27/74/281612774.db2.gz	ZQDDDTAPHWKPJB-UHFFFAOYSA-N	-1	3	309.413	2.987	40	0		DFABHM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)c1ccc(F)cc1	ZINC000080580537	192169265	/nfs/dbraw/zinc/16/92/65/192169265.db2.gz	UJRSVGDSNYPOLW-UHFFFAOYSA-N	-1	3	317.364	2.792	40	0		DFABHM
CCC(=O)N1CCC[C@H]1c1csc([N-]c2cnccn2)n1	ZINC000072384760	191144153	/nfs/dbraw/zinc/14/41/53/191144153.db2.gz	PUSMUELLLQTWDI-NSHDSACASA-N	-1	3	303.391	2.750	40	0		DFABHM
O=C([O-])C1CCN(Cc2ccc(Br)s2)CC1	ZINC000003747780	181044689	/nfs/dbraw/zinc/04/46/89/181044689.db2.gz	VZWOHKXHAIRPGS-UHFFFAOYSA-N	-1	3	304.209	2.807	40	0		DFABHM
COc1ccc2[n-]cc(C(=O)NCCc3ccccc3)c(=O)c2c1	ZINC000004861558	181165331	/nfs/dbraw/zinc/16/53/31/181165331.db2.gz	DRHOCQZKFXUCQR-UHFFFAOYSA-N	-1	3	322.364	2.509	40	0		DFABHM
Cc1nc([C@H]2CN(Cc3cccc4[nH]ccc43)CCO2)cc(=O)[n-]1	ZINC000257311936	203036900	/nfs/dbraw/zinc/03/69/00/203036900.db2.gz	ULROOBMZXPSAMU-QGZVFWFLSA-N	-1	3	324.384	2.545	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN2C(=O)Cc2ccccc2F)n1	ZINC000019118141	182105354	/nfs/dbraw/zinc/10/53/54/182105354.db2.gz	QDIJEJIDGBXXID-CQSZACIVSA-N	-1	3	315.348	2.536	40	0		DFABHM
Cc1nc2c(c(=O)[n-]1)CCN(Cc1ccc3ccccc3n1)C2	ZINC000019576621	182131497	/nfs/dbraw/zinc/13/14/97/182131497.db2.gz	UOYYXFKLOKHYNF-UHFFFAOYSA-N	-1	3	306.369	2.597	40	0		DFABHM
C[C@@H]1CCCC2=C1NN(C(=O)C(C)(C)C)[C@@]2([O-])C(F)(F)F	ZINC000409176520	257221055	/nfs/dbraw/zinc/22/10/55/257221055.db2.gz	PYTHXMVZNBSUAX-ZDMBXUJBSA-N	-1	3	306.328	2.918	40	0		DFABHM
CCOC([O-])=NC(=O)CCC(=O)Nc1ccc2ccccc2c1	ZINC000001558785	425583644	/nfs/dbraw/zinc/58/36/44/425583644.db2.gz	KKRCGHQSKOVGNN-UHFFFAOYSA-N	-1	3	314.341	2.831	40	0		DFABHM
CCOC(=O)[N-]C(=O)CCC(=O)Nc1ccc2ccccc2c1	ZINC000001558785	425583645	/nfs/dbraw/zinc/58/36/45/425583645.db2.gz	KKRCGHQSKOVGNN-UHFFFAOYSA-N	-1	3	314.341	2.831	40	0		DFABHM
CCOCc1nnc([N-]C(=O)c2csc(C(C)=O)c2)s1	ZINC000012202239	425722253	/nfs/dbraw/zinc/72/22/53/425722253.db2.gz	CBFBRMXRLKKEOK-UHFFFAOYSA-N	-1	3	311.388	2.591	40	0		DFABHM
Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1	ZINC000035283871	425844095	/nfs/dbraw/zinc/84/40/95/425844095.db2.gz	CJVFDHHLBMPABZ-UHFFFAOYSA-N	-1	3	300.742	2.862	40	0		DFABHM
COC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[n-]1	ZINC000036815759	425846479	/nfs/dbraw/zinc/84/64/79/425846479.db2.gz	UKRDTJGASAPTHW-UHFFFAOYSA-N	-1	3	306.343	2.607	40	0		DFABHM
O=C(c1ccc(F)cc1[O-])N1CCCN(C2CCCC2)CC1	ZINC000195544776	426539881	/nfs/dbraw/zinc/53/98/81/426539881.db2.gz	KPDBYYLSEPALEM-UHFFFAOYSA-N	-1	3	306.381	2.622	40	0		DFABHM
O=c1[n-]c(C2CCCCC2)nc2nc(Br)cnc12	ZINC000225733558	426610173	/nfs/dbraw/zinc/61/01/73/426610173.db2.gz	XUBJONUQFPAJIF-UHFFFAOYSA-N	-1	3	309.167	2.523	40	0		DFABHM
CCc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)c([O-])c1	ZINC000191725290	427414078	/nfs/dbraw/zinc/41/40/78/427414078.db2.gz	JYJPSAKALAUNMZ-ZDUSSCGKSA-N	-1	3	301.346	2.705	40	0		DFABHM
O=C([O-])[C@@H]1C[C@H]2C[C@H](CN(Cc3cnccn3)C2)c2ccccc21	ZINC000665887168	431059641	/nfs/dbraw/zinc/05/96/41/431059641.db2.gz	MCWMUINNXGHLPT-HBUWYVDXSA-N	-1	3	323.396	2.654	40	0		DFABHM
O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1CCc1ccncc1	ZINC000585181336	398437095	/nfs/dbraw/zinc/43/70/95/398437095.db2.gz	NUXOWGHTQYZYQO-OAHLLOKOSA-N	-1	3	321.384	2.590	40	0		DFABHM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c(F)c1	ZINC000404888890	398693850	/nfs/dbraw/zinc/69/38/50/398693850.db2.gz	WKDBIPYVBSSFNR-UHFFFAOYSA-N	-1	3	322.405	2.997	40	0		DFABHM
O=C([O-])[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1	ZINC000004203362	181084453	/nfs/dbraw/zinc/08/44/53/181084453.db2.gz	IWUFTOBAXFRALB-DLBZAZTESA-N	-1	3	309.365	2.702	40	0		DFABHM
CC(C)Cc1ncc(CNC(=O)c2cccc3nn[n-]c32)s1	ZINC000195573622	399187589	/nfs/dbraw/zinc/18/75/89/399187589.db2.gz	HIGIULKRIYIFCO-UHFFFAOYSA-N	-1	3	315.402	2.543	40	0		DFABHM
CC(C)Cc1ncc(CNC(=O)c2cccc3[n-]nnc32)s1	ZINC000195573622	399187593	/nfs/dbraw/zinc/18/75/93/399187593.db2.gz	HIGIULKRIYIFCO-UHFFFAOYSA-N	-1	3	315.402	2.543	40	0		DFABHM
CC(C)Cc1ncc(CNC(=O)c2cccc3n[n-]nc32)s1	ZINC000195573622	399187596	/nfs/dbraw/zinc/18/75/96/399187596.db2.gz	HIGIULKRIYIFCO-UHFFFAOYSA-N	-1	3	315.402	2.543	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1	ZINC000019117944	182105438	/nfs/dbraw/zinc/10/54/38/182105438.db2.gz	UQHYKKJGXHTTLS-CQSZACIVSA-N	-1	3	301.365	2.597	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H](C)N2CCC(Nc3ccccc3)CC2)n1	ZINC000084114324	542506125	/nfs/dbraw/zinc/50/61/25/542506125.db2.gz	CCTJEKKGBAFQSS-AWEZNQCLSA-N	-1	3	312.417	2.716	40	0		DFABHM
Cn1cccc1/C=C1/[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409071592	257223475	/nfs/dbraw/zinc/22/34/75/257223475.db2.gz	KLBZDAAEHWQJJP-UKTHLTGXSA-N	-1	3	301.733	2.776	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)CCC2	ZINC000053698300	425888683	/nfs/dbraw/zinc/88/86/83/425888683.db2.gz	FOYWFRFRJHGCLG-SNVBAGLBSA-N	-1	3	320.414	2.820	40	0		DFABHM
Cc1cc(C)cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000011660925	425710214	/nfs/dbraw/zinc/71/02/14/425710214.db2.gz	DINKNBKVRVPYSU-UHFFFAOYSA-N	-1	3	318.398	2.927	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1Cl	ZINC000030868164	425833041	/nfs/dbraw/zinc/83/30/41/425833041.db2.gz	GTKHQUMCMSQIQN-UHFFFAOYSA-N	-1	3	324.789	2.964	40	0		DFABHM
O=C1[N-]N=CCc2c1nnc1c(-c3ccc(Cl)cc3)cnn12	ZINC000040395859	425851335	/nfs/dbraw/zinc/85/13/35/425851335.db2.gz	CLEHXFSHBSHNCL-UHFFFAOYSA-N	-1	3	312.720	2.782	40	0		DFABHM
Cc1cc(C)nc([C@@H]2CCN(Cc3ccccc3C(=O)[O-])C2)n1	ZINC000257227408	427315770	/nfs/dbraw/zinc/31/57/70/427315770.db2.gz	FPCUDLFOQZYBRZ-OAHLLOKOSA-N	-1	3	311.385	2.781	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)n1	ZINC000257271755	427333252	/nfs/dbraw/zinc/33/32/52/427333252.db2.gz	MZRLZBSAOCIJPP-INIZCTEOSA-N	-1	3	324.384	2.545	40	0		DFABHM
CCc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)c([O-])c1	ZINC000191725672	427412186	/nfs/dbraw/zinc/41/21/86/427412186.db2.gz	VMXHUSAUXJERHT-UHFFFAOYSA-N	-1	3	313.401	2.708	40	0		DFABHM
COc1ccc(C(=O)NCCc2ccc(OC)c(F)c2)c([O-])c1	ZINC000083927859	192390901	/nfs/dbraw/zinc/39/09/01/192390901.db2.gz	DRTREBMRFMSYLU-UHFFFAOYSA-N	-1	3	319.332	2.521	40	0		DFABHM
c1nnc([N-]c2cncc([C@@H]3CCCN3CC3CC3)n2)s1	ZINC000072376297	191139891	/nfs/dbraw/zinc/13/98/91/191139891.db2.gz	LXRDOXKUKZCWAI-LBPRGKRZSA-N	-1	3	302.407	2.619	40	0		DFABHM
Cc1nc(-c2cccc(I)c2)cc(=O)[n-]1	ZINC000409430969	398696839	/nfs/dbraw/zinc/69/68/39/398696839.db2.gz	OVPUKLNETGZROC-UHFFFAOYSA-N	-1	3	312.110	2.762	40	0		DFABHM
Cc1ccc(CSc2nc3[nH]c(=O)[n-]c(=O)c3s2)cc1	ZINC000004987569	181184916	/nfs/dbraw/zinc/18/49/16/181184916.db2.gz	KIGWJQNOLALTDN-UHFFFAOYSA-N	-1	3	305.384	2.686	40	0		DFABHM
Cc1ccc(C)c(OCC[N-]S(=O)(=O)c2cccs2)c1	ZINC000224043680	201668371	/nfs/dbraw/zinc/66/83/71/201668371.db2.gz	HYGYYKZJYVFYQC-UHFFFAOYSA-N	-1	3	311.428	2.722	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1	ZINC000019118017	182105057	/nfs/dbraw/zinc/10/50/57/182105057.db2.gz	AVSDKEPBUUDYRT-OAHLLOKOSA-N	-1	3	323.396	2.886	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)n1	ZINC000019117933	182105177	/nfs/dbraw/zinc/10/51/77/182105177.db2.gz	NJWLUFYUYGWAMX-CYBMUJFWSA-N	-1	3	319.355	2.736	40	0		DFABHM
Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[n-]c(=O)c1C	ZINC000019555366	182130471	/nfs/dbraw/zinc/13/04/71/182130471.db2.gz	XLZNZQOVJXSSBB-OAHLLOKOSA-N	-1	3	315.392	2.905	40	0		DFABHM
Cc1nc(C)c(CC(=O)Nc2cccc3ccccc32)c(=O)[n-]1	ZINC000019937410	182167115	/nfs/dbraw/zinc/16/71/15/182167115.db2.gz	FBKUCLVFYVWLJQ-UHFFFAOYSA-N	-1	3	307.353	2.721	40	0		DFABHM
CCN(CC)C(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937661	182168076	/nfs/dbraw/zinc/16/80/76/182168076.db2.gz	XSLSWHGFPIJERV-UHFFFAOYSA-N	-1	3	319.792	2.501	40	0		DFABHM
CCc1cccc(CC)c1NC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000019937503	182168107	/nfs/dbraw/zinc/16/81/07/182168107.db2.gz	AIJLKJCPNDBZDO-UHFFFAOYSA-N	-1	3	313.401	2.693	40	0		DFABHM
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000158879427	197308200	/nfs/dbraw/zinc/30/82/00/197308200.db2.gz	GXASMIMJWDAEEQ-UHFFFAOYSA-N	-1	3	324.789	2.500	40	0		DFABHM
COCCN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O	ZINC000409130879	257222011	/nfs/dbraw/zinc/22/20/11/257222011.db2.gz	WXUVCBOSCFJJCP-YRNVUSSQSA-N	-1	3	313.762	2.728	40	0		DFABHM
CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1	ZINC000408739495	257227174	/nfs/dbraw/zinc/22/71/74/257227174.db2.gz	WVPXNHPXRZAXMS-ZDUSSCGKSA-N	-1	3	315.295	2.522	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21	ZINC000000152656	425540234	/nfs/dbraw/zinc/54/02/34/425540234.db2.gz	KDIKPKKWRJUNPV-CQSZACIVSA-N	-1	3	306.387	2.647	40	0		DFABHM
CCn1nnc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)n1	ZINC000000557376	425567903	/nfs/dbraw/zinc/56/79/03/425567903.db2.gz	UWJUVLWPRJZDMJ-UHFFFAOYSA-N	-1	3	317.736	2.859	40	0		DFABHM
CCOC(=O)c1c([O-])c(NC(=O)OCc2ccccc2)cn1C	ZINC000002548190	425594836	/nfs/dbraw/zinc/59/48/36/425594836.db2.gz	MYXRRZWTILTSSE-UHFFFAOYSA-N	-1	3	318.329	2.656	40	0		DFABHM
O=S(=O)([N-]CCSCc1ccccc1)c1cccs1	ZINC000007689460	425648227	/nfs/dbraw/zinc/64/82/27/425648227.db2.gz	OBHFHEADPDJQNO-UHFFFAOYSA-N	-1	3	313.469	2.960	40	0		DFABHM
Cc1oc2ccccc2c1CN1CCc2nc(C)[n-]c(=O)c2C1	ZINC000012185054	425721470	/nfs/dbraw/zinc/72/14/70/425721470.db2.gz	JWNHGGHBUMILAS-UHFFFAOYSA-N	-1	3	309.369	2.691	40	0		DFABHM
CN1CCC[C@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257304591	427332082	/nfs/dbraw/zinc/33/20/82/427332082.db2.gz	SMIPZRCIMIIGSG-CYBMUJFWSA-N	-1	3	311.385	2.726	40	0		DFABHM
O=C([O-])[C@H]1C[C@H]2C[C@H](CN(Cc3cnccn3)C2)c2ccccc21	ZINC000665887170	431059096	/nfs/dbraw/zinc/05/90/96/431059096.db2.gz	MCWMUINNXGHLPT-LBTNJELSSA-N	-1	3	323.396	2.654	40	0		DFABHM
Cc1cc(=O)[n-]c(Nc2nc(C)c3cc(Cl)ccc3n2)n1	ZINC000008020175	280301165	/nfs/dbraw/zinc/30/11/65/280301165.db2.gz	IONPSXQLLQUJAS-UHFFFAOYSA-N	-1	3	301.737	2.727	40	0		DFABHM
CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cocc2C)N1	ZINC000000302707	398345405	/nfs/dbraw/zinc/34/54/05/398345405.db2.gz	VTPBLKLHOYNSKD-GFCCVEGCSA-N	-1	3	304.268	2.841	40	0		DFABHM
Clc1cc2n[n-]c(I)c2c(Cl)n1	ZINC000514260768	398356871	/nfs/dbraw/zinc/35/68/71/398356871.db2.gz	JBQGCWADZPMKTO-UHFFFAOYSA-N	-1	3	313.913	2.869	40	0		DFABHM
CC(C)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1	ZINC000585140372	398435868	/nfs/dbraw/zinc/43/58/68/398435868.db2.gz	CMXOYCNXZSHQNN-UHFFFAOYSA-N	-1	3	303.387	2.524	40	0		DFABHM
CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(C)cs1	ZINC000084734858	192463242	/nfs/dbraw/zinc/46/32/42/192463242.db2.gz	XRFNMCCRKBDIML-JTQLQIEISA-N	-1	3	301.375	2.604	40	0		DFABHM
Cc1nnc([N-]c2cncc([C@H]3CCCN3CC3CC3)n2)s1	ZINC000072376300	191139959	/nfs/dbraw/zinc/13/99/59/191139959.db2.gz	JYAGCPIQJDLFKG-CYBMUJFWSA-N	-1	3	316.434	2.927	40	0		DFABHM
CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000005462004	181246326	/nfs/dbraw/zinc/24/63/26/181246326.db2.gz	QXDQINZXMAXFKY-NSHDSACASA-N	-1	3	314.179	2.678	40	0		DFABHM
CC(C)c1nc(S(=O)(=O)[N-][C@@H](c2ccccn2)C(C)C)c[nH]1	ZINC000080759143	192188682	/nfs/dbraw/zinc/18/86/82/192188682.db2.gz	HYXLWKARDQOTGK-CQSZACIVSA-N	-1	3	322.434	2.604	40	0		DFABHM
CC(C)OCCS(=O)(=O)[N-]c1cccc(-c2cnco2)c1	ZINC000080782944	192189288	/nfs/dbraw/zinc/18/92/88/192189288.db2.gz	NPXQJYMCSCLMNF-UHFFFAOYSA-N	-1	3	310.375	2.508	40	0		DFABHM
CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000016130171	182035088	/nfs/dbraw/zinc/03/50/88/182035088.db2.gz	ZZXWCRSBGGMDON-UHFFFAOYSA-N	-1	3	319.382	2.821	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(Cc3ccccc3F)C2)n1	ZINC000019117989	182105344	/nfs/dbraw/zinc/10/53/44/182105344.db2.gz	LEPBMSMLLQNRKE-CQSZACIVSA-N	-1	3	301.365	2.597	40	0		DFABHM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	ZINC000000044657	425531792	/nfs/dbraw/zinc/53/17/92/425531792.db2.gz	IUTUDKMGBFWYHK-HZPDHXFCSA-N	-1	3	323.348	2.523	40	0		DFABHM
COc1c([O-])cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2	ZINC000014728437	425774127	/nfs/dbraw/zinc/77/41/27/425774127.db2.gz	FCXRFTLSXMRXTM-GFCCVEGCSA-N	-1	3	302.282	2.519	40	0	biogenic,in-vitro	DFABHM
Cc1cc(SCC(=O)NCCc2ccccc2)[n-]c(=S)n1	ZINC000016283654	425785955	/nfs/dbraw/zinc/78/59/55/425785955.db2.gz	ZKIDWIIGGUUZLN-UHFFFAOYSA-N	-1	3	319.455	2.525	40	0		DFABHM
COc1ccc(C[C@@H]2COc3cc([O-])c(C)c(O)c3C2=O)cc1	ZINC000013327571	425753722	/nfs/dbraw/zinc/75/37/22/425753722.db2.gz	OOHKTNVQRTUZRS-GFCCVEGCSA-N	-1	3	314.337	2.849	40	0	biogenic,in-vitro	DFABHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1	ZINC000078403974	426168127	/nfs/dbraw/zinc/16/81/27/426168127.db2.gz	YWJBOXVCFJVDSN-LLVKDONJSA-N	-1	3	318.398	2.853	40	0		DFABHM
Cn1cc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cn1	ZINC000084318690	426236187	/nfs/dbraw/zinc/23/61/87/426236187.db2.gz	NLPCSVAHYKXNTH-UHFFFAOYSA-N	-1	3	301.737	2.716	40	0		DFABHM
COc1ccc2c(c1)N1C([S-])N=N[C@@H]1C=C2c1ccccc1	ZINC000096305850	426412184	/nfs/dbraw/zinc/41/21/84/426412184.db2.gz	UMRJKLKMGBHQSF-INIZCTEOSA-N	-1	3	309.394	2.666	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000195551095	426538565	/nfs/dbraw/zinc/53/85/65/426538565.db2.gz	DOIIVEYIRBJKNR-YWPYICTPSA-N	-1	3	312.435	2.785	40	0		DFABHM
C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000004559059	278452471	/nfs/dbraw/zinc/45/24/71/278452471.db2.gz	WWMBCTJTJQTNDI-JRKPZEMJSA-N	-1	3	316.279	2.779	40	0		DFABHM
O=c1cc(CSc2nnc(-c3cccs3)o2)occ1[O-]	ZINC000078807407	185112922	/nfs/dbraw/zinc/11/29/22/185112922.db2.gz	VQHDQDKPVGBMJZ-UHFFFAOYSA-N	-1	3	308.340	2.749	40	0		DFABHM
O=S(=O)([N-]CCSCc1ccco1)c1cccs1	ZINC000033660951	398546469	/nfs/dbraw/zinc/54/64/69/398546469.db2.gz	ORQDLFAIWRVPNV-UHFFFAOYSA-N	-1	3	303.430	2.553	40	0		DFABHM
COc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1	ZINC000145517393	186037162	/nfs/dbraw/zinc/03/71/62/186037162.db2.gz	BJHZVGOUZORXET-UHFFFAOYSA-N	-1	3	312.778	2.732	40	0		DFABHM
CCOC(=O)Cc1csc(=NC(=O)OCc2ccccc2)[n-]1	ZINC000005952833	181299885	/nfs/dbraw/zinc/29/98/85/181299885.db2.gz	PBZLVBQMTYWJAE-UHFFFAOYSA-N	-1	3	320.370	2.997	40	0		DFABHM
[O-]c1cccnc1NC(=S)NCCCc1ccc(F)cc1	ZINC000223967874	201665770	/nfs/dbraw/zinc/66/57/70/201665770.db2.gz	HIQBHGSGCBQJKQ-UHFFFAOYSA-N	-1	3	305.378	2.846	40	0		DFABHM
CC(=O)N1CCCC[C@@H]1c1csc([N-]c2cnccn2)n1	ZINC000257275956	203004794	/nfs/dbraw/zinc/00/47/94/203004794.db2.gz	NRSCAUALMIUNLE-GFCCVEGCSA-N	-1	3	303.391	2.750	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1	ZINC000019118131	182105125	/nfs/dbraw/zinc/10/51/25/182105125.db2.gz	PBTXQECHYJJUNC-AWEZNQCLSA-N	-1	3	315.348	2.536	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1	ZINC000019118137	182105432	/nfs/dbraw/zinc/10/54/32/182105432.db2.gz	QDIJEJIDGBXXID-AWEZNQCLSA-N	-1	3	315.348	2.536	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H](C)N2CCC(Nc3ccccc3)CC2)n1	ZINC000084114321	542505782	/nfs/dbraw/zinc/50/57/82/542505782.db2.gz	CCTJEKKGBAFQSS-CQSZACIVSA-N	-1	3	312.417	2.716	40	0		DFABHM
CCCN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(OCC)c2)C1=O	ZINC000409231433	257220757	/nfs/dbraw/zinc/22/07/57/257220757.db2.gz	JAZHRLDUHGTZEX-YRNVUSSQSA-N	-1	3	324.764	2.747	40	0		DFABHM
O=C(CSc1nnc(-c2ccc([O-])cc2)o1)N1CCCCC1	ZINC000000421879	425559987	/nfs/dbraw/zinc/55/99/87/425559987.db2.gz	XJNDPSBUKLAUFZ-UHFFFAOYSA-N	-1	3	319.386	2.547	40	0		DFABHM
CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(O)c2)cc1[O-]	ZINC000001673464	425584749	/nfs/dbraw/zinc/58/47/49/425584749.db2.gz	DNVYQQSODDAZNM-UHFFFAOYSA-N	-1	3	300.314	2.682	40	0		DFABHM
CCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl	ZINC000044899758	425858587	/nfs/dbraw/zinc/85/85/87/425858587.db2.gz	KSJLZUJTCFTDHI-UHFFFAOYSA-N	-1	3	318.826	2.632	40	0		DFABHM
COc1ccc2[n-]cc(C(=O)NCc3cccs3)c(=O)c2c1	ZINC000035289326	425843744	/nfs/dbraw/zinc/84/37/44/425843744.db2.gz	IJYZTJPQAJZEFM-UHFFFAOYSA-N	-1	3	314.366	2.528	40	0		DFABHM
CC(C)[C@@H](N)c1nc(-c2cc(Br)ccc2[O-])n[nH]1	ZINC000095534757	185379326	/nfs/dbraw/zinc/37/93/26/185379326.db2.gz	KZKLBHFUHKYPBV-SNVBAGLBSA-N	-1	3	311.183	2.596	40	0		DFABHM
COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1	ZINC000078985512	185140208	/nfs/dbraw/zinc/14/02/08/185140208.db2.gz	NOEXMIUORZFEDT-AWEZNQCLSA-N	-1	3	309.387	2.562	40	0		DFABHM
O=C([O-])[C@@H]1CCCN(Cc2ccc(Br)s2)C1	ZINC000003750172	181044792	/nfs/dbraw/zinc/04/47/92/181044792.db2.gz	VRWIGQLKXXPHKZ-MRVPVSSYSA-N	-1	3	304.209	2.807	40	0		DFABHM
Cc1cccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)[O-])c1	ZINC000006055560	181309411	/nfs/dbraw/zinc/30/94/11/181309411.db2.gz	MQIVIQSYKJJPAO-MRXNPFEDSA-N	-1	3	312.369	2.567	40	0		DFABHM
Cc1ccc([C@H]2CN([C@@H](C)c3nc(C)cc(=O)[n-]3)CCO2)o1	ZINC000192707576	399174372	/nfs/dbraw/zinc/17/43/72/399174372.db2.gz	CHJQHRKDZHQAHN-GXTWGEPZSA-N	-1	3	303.362	2.527	40	0		DFABHM
Cc1ccc([C@@H]2CN([C@@H](C)c3nc(C)cc(=O)[n-]3)CCO2)o1	ZINC000192707560	399174406	/nfs/dbraw/zinc/17/44/06/399174406.db2.gz	CHJQHRKDZHQAHN-JSGCOSHPSA-N	-1	3	303.362	2.527	40	0		DFABHM
COCc1nnc([N-]C(=O)c2cc3cc(OC)ccc3o2)s1	ZINC000019594515	182132821	/nfs/dbraw/zinc/13/28/21/182132821.db2.gz	RZDLLPQYGXEDGP-UHFFFAOYSA-N	-1	3	319.342	2.692	40	0		DFABHM
Cc1cccc(C(C)C)c1NC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000019937505	182167783	/nfs/dbraw/zinc/16/77/83/182167783.db2.gz	PMXIVXZVTGDFFN-UHFFFAOYSA-N	-1	3	313.401	3.000	40	0		DFABHM
CCC[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl	ZINC000020045752	182183911	/nfs/dbraw/zinc/18/39/11/182183911.db2.gz	CPWZDJQQZODLLX-SECBINFHSA-N	-1	3	318.826	2.630	40	0		DFABHM
CCC[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1	ZINC000020110608	182187733	/nfs/dbraw/zinc/18/77/33/182187733.db2.gz	LSYCIOYVECMSSZ-SECBINFHSA-N	-1	3	318.826	2.630	40	0		DFABHM
CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)o2)N1	ZINC000000356214	425555518	/nfs/dbraw/zinc/55/55/18/425555518.db2.gz	WRYLLCKDHLYZTP-GFCCVEGCSA-N	-1	3	304.268	2.841	40	0		DFABHM
O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc(Cl)cc1	ZINC000016430902	425785922	/nfs/dbraw/zinc/78/59/22/425785922.db2.gz	XTKOABBGZFQUPF-UHFFFAOYSA-N	-1	3	315.716	2.534	40	0		DFABHM
O=C(Nc1cccc2c(=O)[n-][nH]c(=O)c12)c1ccc(Cl)cc1	ZINC000016430902	425785925	/nfs/dbraw/zinc/78/59/25/425785925.db2.gz	XTKOABBGZFQUPF-UHFFFAOYSA-N	-1	3	315.716	2.534	40	0		DFABHM
CCOC(=O)CCCSc1nc2oc(C)c(C)c2c(=O)[n-]1	ZINC000036644075	425845952	/nfs/dbraw/zinc/84/59/52/425845952.db2.gz	VOXSEWDVLQWVGF-UHFFFAOYSA-N	-1	3	310.375	2.568	40	0		DFABHM
CC(C)n1nccc1NC(=O)c1c[n-]c2c(F)cccc2c1=O	ZINC000079481576	426192803	/nfs/dbraw/zinc/19/28/03/426192803.db2.gz	SKKLGFLUPSFBDI-UHFFFAOYSA-N	-1	3	314.320	2.697	40	0		DFABHM
CC(C)n1nccc1NC(=O)c1cnc2c(F)cccc2c1[O-]	ZINC000079481576	426192808	/nfs/dbraw/zinc/19/28/08/426192808.db2.gz	SKKLGFLUPSFBDI-UHFFFAOYSA-N	-1	3	314.320	2.697	40	0		DFABHM
O=S(=O)([N-]Cc1nc(-c2ccccc2)c[nH]1)c1cccs1	ZINC000085557905	426252480	/nfs/dbraw/zinc/25/24/80/426252480.db2.gz	ILMXNKPUYRFXTG-UHFFFAOYSA-N	-1	3	319.411	2.617	40	0		DFABHM
O=c1oc2cc(-n3ccnn3)ccc2cc1-c1ccc([O-])cc1	ZINC000255187456	427246443	/nfs/dbraw/zinc/24/64/43/427246443.db2.gz	DQYWCWMGDWYHLH-UHFFFAOYSA-N	-1	3	305.293	2.746	40	0		DFABHM
Cc1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(=O)n2[n-]1	ZINC000257205084	427311615	/nfs/dbraw/zinc/31/16/15/427311615.db2.gz	AXOHSJVUZPLGQP-UHFFFAOYSA-N	-1	3	323.400	2.518	40	0		DFABHM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@@H]2CCCCN2C)n1	ZINC000257251520	427325428	/nfs/dbraw/zinc/32/54/28/427325428.db2.gz	JRCACDOHLGJWJJ-INIZCTEOSA-N	-1	3	312.373	2.702	40	0		DFABHM
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1	ZINC000192670743	427586445	/nfs/dbraw/zinc/58/64/45/427586445.db2.gz	QMFSNJUHODTNNS-UHFFFAOYSA-N	-1	3	311.334	2.644	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc2[nH]c(Cc3ccccc3F)nc2c1	ZINC000195568269	323284284	/nfs/dbraw/zinc/28/42/84/323284284.db2.gz	BQSKMEGCTCVDEO-UHFFFAOYSA-N	-1	3	319.361	2.664	40	0		DFABHM
Cc1cc(C)cc(C(=O)NC(=S)Nc2ncccc2[O-])c1	ZINC000000512922	332852330	/nfs/dbraw/zinc/85/23/30/332852330.db2.gz	XTJHVAMERCCGIH-UHFFFAOYSA-N	-1	3	301.371	2.531	40	0		DFABHM
Cc1nnc([N-]c2cncc([C@@H]3CCCN3CC3CC3)n2)s1	ZINC000072376299	191138950	/nfs/dbraw/zinc/13/89/50/191138950.db2.gz	JYAGCPIQJDLFKG-ZDUSSCGKSA-N	-1	3	316.434	2.927	40	0		DFABHM
Cc1cc([O-])cc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1	ZINC000078869740	398993379	/nfs/dbraw/zinc/99/33/79/398993379.db2.gz	AOZKNSKOPHGRBB-UHFFFAOYSA-N	-1	3	315.760	2.932	40	0		DFABHM
CCOC(=O)c1cn[n-]c1NC(=O)Nc1ccc(F)cc1F	ZINC000016687741	182057489	/nfs/dbraw/zinc/05/74/89/182057489.db2.gz	WWENOYGITRTKCM-UHFFFAOYSA-N	-1	3	310.260	2.509	40	0		DFABHM
CCOC(=O)c1c[n-]nc1NC(=O)Nc1ccc(F)cc1F	ZINC000016687741	182057490	/nfs/dbraw/zinc/05/74/90/182057490.db2.gz	WWENOYGITRTKCM-UHFFFAOYSA-N	-1	3	310.260	2.509	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1	ZINC000019117818	182105393	/nfs/dbraw/zinc/10/53/93/182105393.db2.gz	FMNQISXVSBBADF-GFCCVEGCSA-N	-1	3	315.348	2.650	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(Cc3cccc(F)c3)C2)n1	ZINC000019117967	182105406	/nfs/dbraw/zinc/10/54/06/182105406.db2.gz	HZDCHEORCNAKPI-AWEZNQCLSA-N	-1	3	301.365	2.597	40	0		DFABHM
O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[n-]nn1	ZINC000121753451	195339881	/nfs/dbraw/zinc/33/98/81/195339881.db2.gz	UDFSAKOHKYUYGN-CMPLNLGQSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cnn[n-]1	ZINC000121753451	195339884	/nfs/dbraw/zinc/33/98/84/195339884.db2.gz	UDFSAKOHKYUYGN-CMPLNLGQSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cn[n-]n1	ZINC000121753451	195339886	/nfs/dbraw/zinc/33/98/86/195339886.db2.gz	UDFSAKOHKYUYGN-CMPLNLGQSA-N	-1	3	324.306	2.890	40	0		DFABHM
CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc([O-])c2)N1	ZINC000000108419	425537914	/nfs/dbraw/zinc/53/79/14/425537914.db2.gz	QQUZGIUSOJXYRJ-ZDUSSCGKSA-N	-1	3	316.279	2.645	40	0		DFABHM
COc1c([O-])cc(O)c2c1O[C@@H](c1ccccc1O)CC2=O	ZINC000014728119	425773956	/nfs/dbraw/zinc/77/39/56/425773956.db2.gz	URBNKMKLIWQQRO-CYBMUJFWSA-N	-1	3	302.282	2.519	40	0		DFABHM
CC(C)c1nn2c([n-]1)c1cnn(-c3ccccc3)c1nc2=S	ZINC000020799502	425795125	/nfs/dbraw/zinc/79/51/25/425795125.db2.gz	IIFFCWMDPIJUSP-UHFFFAOYSA-N	-1	3	310.386	2.875	40	0		DFABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1	ZINC000032585575	425839094	/nfs/dbraw/zinc/83/90/94/425839094.db2.gz	JHHMYIOWMFLOEP-UHFFFAOYSA-N	-1	3	311.334	2.644	40	0		DFABHM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(F)c1F	ZINC000081596143	426224960	/nfs/dbraw/zinc/22/49/60/426224960.db2.gz	JOAAFTUWENZNIT-UHFFFAOYSA-N	-1	3	321.327	2.906	40	0		DFABHM
C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000004559062	278452473	/nfs/dbraw/zinc/45/24/73/278452473.db2.gz	WWMBCTJTJQTNDI-KKFJDGPESA-N	-1	3	316.279	2.779	40	0		DFABHM
Cc1cc(S(=O)(=O)[N-]Cc2cccc(C)n2)sc1Cl	ZINC000191903502	323239480	/nfs/dbraw/zinc/23/94/80/323239480.db2.gz	OSILUKWNACVMAT-UHFFFAOYSA-N	-1	3	316.835	2.892	40	0		DFABHM
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1	ZINC000079014352	185146248	/nfs/dbraw/zinc/14/62/48/185146248.db2.gz	BDOIZBXNDBHJIC-LLVKDONJSA-N	-1	3	322.380	2.755	40	0		DFABHM
O=C(c1cccc([O-])c1OC(F)(F)F)N1CCC=C(F)C1	ZINC000585140671	398436218	/nfs/dbraw/zinc/43/62/18/398436218.db2.gz	IBKRFEVUCSBVCZ-UHFFFAOYSA-N	-1	3	305.227	2.990	40	0		DFABHM
CC(=O)N1CCC(c2nccnc2[N-]c2ncc(C)s2)CC1	ZINC000072365555	191134136	/nfs/dbraw/zinc/13/41/36/191134136.db2.gz	RJLQLHMVUFUPPG-UHFFFAOYSA-N	-1	3	317.418	2.711	40	0		DFABHM
Cc1ccccc1CSc1nc2[nH]c(=O)[n-]c(=O)c2s1	ZINC000004987565	181184889	/nfs/dbraw/zinc/18/48/89/181184889.db2.gz	RMZUZAQNOCBTQP-UHFFFAOYSA-N	-1	3	305.384	2.686	40	0		DFABHM
CCOC(=O)c1cn[n-]c1NC(=O)Nc1cccc(Cl)c1	ZINC000006265604	181324326	/nfs/dbraw/zinc/32/43/26/181324326.db2.gz	JPHXYPPWTIKUNW-UHFFFAOYSA-N	-1	3	308.725	2.884	40	0		DFABHM
CCOC(=O)c1c[n-]nc1NC(=O)Nc1cccc(Cl)c1	ZINC000006265604	181324329	/nfs/dbraw/zinc/32/43/29/181324329.db2.gz	JPHXYPPWTIKUNW-UHFFFAOYSA-N	-1	3	308.725	2.884	40	0		DFABHM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@@H]2CCCN(C)C2)n1	ZINC000257334119	203055902	/nfs/dbraw/zinc/05/59/02/203055902.db2.gz	YEQKTGXKFNCWKC-OAHLLOKOSA-N	-1	3	311.385	2.959	40	0		DFABHM
CC[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937561	182168168	/nfs/dbraw/zinc/16/81/68/182168168.db2.gz	YSIBUUVHZOTASL-SNVBAGLBSA-N	-1	3	319.792	2.548	40	0		DFABHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1	ZINC000041091204	183163784	/nfs/dbraw/zinc/16/37/84/183163784.db2.gz	FCUSRTKJPGINAB-UHFFFAOYSA-N	-1	3	322.361	2.893	40	0		DFABHM
CCOC(=O)Cc1n[n-]c(COc2ccc3ccccc3c2)n1	ZINC000040175858	257129894	/nfs/dbraw/zinc/12/98/94/257129894.db2.gz	DSMUBUUHRLATBT-UHFFFAOYSA-N	-1	3	311.341	2.643	40	0		DFABHM
CCOC(=O)Cc1nnc(COc2ccc3ccccc3c2)[n-]1	ZINC000040175858	257129895	/nfs/dbraw/zinc/12/98/95/257129895.db2.gz	DSMUBUUHRLATBT-UHFFFAOYSA-N	-1	3	311.341	2.643	40	0		DFABHM
CCOC(=O)Cc1nc(COc2ccc3ccccc3c2)n[n-]1	ZINC000040175858	257129898	/nfs/dbraw/zinc/12/98/98/257129898.db2.gz	DSMUBUUHRLATBT-UHFFFAOYSA-N	-1	3	311.341	2.643	40	0		DFABHM
CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(F)c2)N1	ZINC000000794362	425571612	/nfs/dbraw/zinc/57/16/12/425571612.db2.gz	MEUWXSPKNMSOAH-ZDUSSCGKSA-N	-1	3	318.270	2.935	40	0		DFABHM
COC(=O)c1cc(=O)[n-]c(Nc2ccc(Cl)cc2Cl)n1	ZINC000008020586	425657944	/nfs/dbraw/zinc/65/79/44/425657944.db2.gz	YKOAGIRBCRJSNN-UHFFFAOYSA-N	-1	3	314.128	2.607	40	0		DFABHM
N[C@H](c1nc(-c2ccccc2[O-])n[nH]1)c1ccc(Cl)cc1	ZINC000095533939	426373081	/nfs/dbraw/zinc/37/30/81/426373081.db2.gz	HPBHTDXWRSSZNK-ZDUSSCGKSA-N	-1	3	300.749	2.879	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCSC1CCCCC1	ZINC000225798416	426612745	/nfs/dbraw/zinc/61/27/45/426612745.db2.gz	WNDXTPGHDBRGGU-UHFFFAOYSA-N	-1	3	318.464	2.636	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)n1	ZINC000257271756	427332520	/nfs/dbraw/zinc/33/25/20/427332520.db2.gz	MZRLZBSAOCIJPP-MRXNPFEDSA-N	-1	3	324.384	2.545	40	0		DFABHM
O=[S@](Cc1nccn1Cc1ccccc1)c1ccc([O-])cc1	ZINC000078953773	185135297	/nfs/dbraw/zinc/13/52/97/185135297.db2.gz	OZSWKMMOAICNTI-QFIPXVFZSA-N	-1	3	312.394	2.945	40	0		DFABHM
COc1cccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1	ZINC000148299841	186043700	/nfs/dbraw/zinc/04/37/00/186043700.db2.gz	FCQVDZQUTSRQOS-UHFFFAOYSA-N	-1	3	312.778	2.732	40	0		DFABHM
CC(C)(C)OC(=O)N1CCC(c2cc(=O)[n-]c(=S)[nH]2)CC1	ZINC000096311410	193612804	/nfs/dbraw/zinc/61/28/04/193612804.db2.gz	IXUWGRPTQQHJCI-UHFFFAOYSA-N	-1	3	311.407	2.547	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(Cc3cccc(F)c3F)C2)n1	ZINC000019117981	182105186	/nfs/dbraw/zinc/10/51/86/182105186.db2.gz	UDEWFPZDRJBKBS-ZDUSSCGKSA-N	-1	3	319.355	2.736	40	0		DFABHM
Cc1nc([C@H]2CCCN2C(=O)c2ccccc2F)[n-]c(=O)c1C	ZINC000019555525	182130350	/nfs/dbraw/zinc/13/03/50/182130350.db2.gz	PYODHTINYBDJLO-CQSZACIVSA-N	-1	3	315.348	2.503	40	0		DFABHM
O=C([O-])[C@@H](Cc1cccc(Br)c1)N1CCCCC1	ZINC000041562993	183202098	/nfs/dbraw/zinc/20/20/98/183202098.db2.gz	LXJVCJWWKNYMOQ-CYBMUJFWSA-N	-1	3	312.207	2.931	40	0		DFABHM
CCOC(=O)Cc1n[n-]c(COc2ccc(C(C)(C)C)cc2)n1	ZINC000040175850	257129849	/nfs/dbraw/zinc/12/98/49/257129849.db2.gz	PMJAAYKYWVLGNC-UHFFFAOYSA-N	-1	3	317.389	2.787	40	0		DFABHM
CCOC(=O)Cc1nnc(COc2ccc(C(C)(C)C)cc2)[n-]1	ZINC000040175850	257129850	/nfs/dbraw/zinc/12/98/50/257129850.db2.gz	PMJAAYKYWVLGNC-UHFFFAOYSA-N	-1	3	317.389	2.787	40	0		DFABHM
CCOC(=O)Cc1nc(COc2ccc(C(C)(C)C)cc2)n[n-]1	ZINC000040175850	257129851	/nfs/dbraw/zinc/12/98/51/257129851.db2.gz	PMJAAYKYWVLGNC-UHFFFAOYSA-N	-1	3	317.389	2.787	40	0		DFABHM
O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1c[n-]nn1	ZINC000121753176	195340783	/nfs/dbraw/zinc/34/07/83/195340783.db2.gz	UDFSAKOHKYUYGN-JQWIXIFHSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cnn[n-]1	ZINC000121753176	195340786	/nfs/dbraw/zinc/34/07/86/195340786.db2.gz	UDFSAKOHKYUYGN-JQWIXIFHSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cn[n-]n1	ZINC000121753176	195340789	/nfs/dbraw/zinc/34/07/89/195340789.db2.gz	UDFSAKOHKYUYGN-JQWIXIFHSA-N	-1	3	324.306	2.890	40	0		DFABHM
COc1cc2oc(-c3ccc([O-])cc3)cc(=O)c2c(OC)c1O	ZINC000001685697	425584243	/nfs/dbraw/zinc/58/42/43/425584243.db2.gz	NFSSFGJGSUAWLF-UHFFFAOYSA-N	-1	3	314.293	2.888	40	0	in-vitro	DFABHM
COc1cc(C(=S)NCCc2ccccc2)cc(OC)c1[O-]	ZINC000009188110	425681815	/nfs/dbraw/zinc/68/18/15/425681815.db2.gz	VBMXUCXMPBJLCD-UHFFFAOYSA-N	-1	3	317.410	2.917	40	0		DFABHM
CC(C)n1nccc1NC(=O)c1c[n-]c2ccc(F)cc2c1=O	ZINC000079480846	426193518	/nfs/dbraw/zinc/19/35/18/426193518.db2.gz	BXHOSEAEUKLQRB-UHFFFAOYSA-N	-1	3	314.320	2.697	40	0		DFABHM
CC(C)n1nccc1NC(=O)c1cnc2ccc(F)cc2c1[O-]	ZINC000079480846	426193521	/nfs/dbraw/zinc/19/35/21/426193521.db2.gz	BXHOSEAEUKLQRB-UHFFFAOYSA-N	-1	3	314.320	2.697	40	0		DFABHM
CCOC(=O)c1cc(Br)c(=O)[n-]c1C(F)(F)F	ZINC000095096567	426365816	/nfs/dbraw/zinc/36/58/16/426365816.db2.gz	JRQKITANLXXKBN-UHFFFAOYSA-N	-1	3	314.057	2.745	40	0		DFABHM
CCO[C@H](C)c1nc(CN(C)Cc2cc(=O)c([O-])co2)cs1	ZINC000078947731	185133733	/nfs/dbraw/zinc/13/37/33/185133733.db2.gz	LYATYUQRURNJJO-SNVBAGLBSA-N	-1	3	324.402	2.531	40	0		DFABHM
CCCCCCc1cccc(NC(=O)CNCCC(=O)[O-])c1	ZINC000095704993	398657468	/nfs/dbraw/zinc/65/74/68/398657468.db2.gz	JXZQHAWCGSVWRW-UHFFFAOYSA-N	-1	3	306.406	2.812	40	0	in-vitro	DFABHM
CC(=O)c1ccc(O[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1F	ZINC000079020133	399009961	/nfs/dbraw/zinc/00/99/61/399009961.db2.gz	MNKFNEGSBLPIKW-JTQLQIEISA-N	-1	3	306.293	2.731	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1	ZINC000019118127	182105413	/nfs/dbraw/zinc/10/54/13/182105413.db2.gz	CWAHLYXEOFTIIC-CQSZACIVSA-N	-1	3	315.348	2.536	40	0		DFABHM
[O-]C(=CC1(C(F)(F)F)NCCN1)c1cccc2ccccc21	ZINC000019320696	182114824	/nfs/dbraw/zinc/11/48/24/182114824.db2.gz	KKHODDDMOKZUJU-UHFFFAOYSA-N	-1	3	308.303	2.864	40	0		DFABHM
Cc1nc(C)c(CC(=O)Nc2cccc(Cl)c2C)c(=O)[n-]1	ZINC000019937421	182166989	/nfs/dbraw/zinc/16/69/89/182166989.db2.gz	XBNIZJHSZLGLNE-UHFFFAOYSA-N	-1	3	305.765	2.530	40	0		DFABHM
Cc1nn(-c2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)C(C)C	ZINC000084174797	542506921	/nfs/dbraw/zinc/50/69/21/542506921.db2.gz	XAFUHTUARIIBCW-UHFFFAOYSA-N	-1	3	307.419	2.948	40	0		DFABHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C	ZINC000408622169	257228685	/nfs/dbraw/zinc/22/86/85/257228685.db2.gz	MSXCOFBCDZERSH-UHFFFAOYSA-N	-1	3	322.361	2.893	40	0		DFABHM
O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)NCc1ccco1	ZINC000002697453	425600794	/nfs/dbraw/zinc/60/07/94/425600794.db2.gz	XUFMAZVLSUTPOP-CYBMUJFWSA-N	-1	3	322.748	2.505	40	0		DFABHM
Cn1c2nc(SCc3ccccc3)[n-]c2c(=S)n(C)c1=O	ZINC000017379721	425787436	/nfs/dbraw/zinc/78/74/36/425787436.db2.gz	KWLOEYMTVFFXIA-UHFFFAOYSA-N	-1	3	318.427	2.622	40	0		DFABHM
Cn1c2[n-]c(SCc3ccccc3)nc2c(=S)n(C)c1=O	ZINC000017379721	425787439	/nfs/dbraw/zinc/78/74/39/425787439.db2.gz	KWLOEYMTVFFXIA-UHFFFAOYSA-N	-1	3	318.427	2.622	40	0		DFABHM
CCOC(=O)c1c(O)cc([O-])cc1CCc1ccc(O)cc1	ZINC000026522558	425812579	/nfs/dbraw/zinc/81/25/79/425812579.db2.gz	PADJWWDZIVNKCQ-UHFFFAOYSA-N	-1	3	302.326	2.765	40	0		DFABHM
CC(C)(C)OC(=O)N1CCC[C@H](c2cc(=O)[n-]c(=S)[nH]2)C1	ZINC000096311411	275824516	/nfs/dbraw/zinc/82/45/16/275824516.db2.gz	ZNNQKXAKSNZHKZ-VIFPVBQESA-N	-1	3	311.407	2.547	40	0		DFABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Cl)c2)cc1	ZINC000000571559	398346285	/nfs/dbraw/zinc/34/62/85/398346285.db2.gz	MYPGXQIRDVNVCZ-UHFFFAOYSA-N	-1	3	324.789	2.964	40	0		DFABHM
CCOC(=O)[C@@]([O-])(c1c(C)[nH]c2ccccc21)C(F)(F)F	ZINC000003653159	181044081	/nfs/dbraw/zinc/04/40/81/181044081.db2.gz	OKLMMCIKGHSFQE-ZDUSSCGKSA-N	-1	3	301.264	2.789	40	0		DFABHM
CCCCc1cc([N-]C(=O)c2n[nH]c(=O)c3ccccc32)on1	ZINC000078994086	399007049	/nfs/dbraw/zinc/00/70/49/399007049.db2.gz	FPTDTWZQNBIGJJ-UHFFFAOYSA-N	-1	3	312.329	2.506	40	0		DFABHM
Cc1cc(=O)[n-]c([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)n1	ZINC000019117935	182105145	/nfs/dbraw/zinc/10/51/45/182105145.db2.gz	NJWLUFYUYGWAMX-ZDUSSCGKSA-N	-1	3	319.355	2.736	40	0		DFABHM
CCCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O	ZINC000019937559	182167945	/nfs/dbraw/zinc/16/79/45/182167945.db2.gz	ADHVGJOYHPWFRP-UHFFFAOYSA-N	-1	3	319.792	2.549	40	0		DFABHM
CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(F)cc2)N1	ZINC000409068291	257223524	/nfs/dbraw/zinc/22/35/24/257223524.db2.gz	LFUNMZNLEYDIIM-CYBMUJFWSA-N	-1	3	318.270	2.935	40	0		DFABHM
Cc1ccc(C(=O)NC(=S)Nc2ncccc2[O-])c(C)c1	ZINC000000557992	425568965	/nfs/dbraw/zinc/56/89/65/425568965.db2.gz	ZDGDIKUCPKPQIO-UHFFFAOYSA-N	-1	3	301.371	2.531	40	0		DFABHM
CC(=O)c1ccc(N2C(=O)CC(=Cc3ccccc3[O-])C2=O)cc1	ZINC000008627850	425672849	/nfs/dbraw/zinc/67/28/49/425672849.db2.gz	TWFFYDNKLQQBRP-XNTDXEJSSA-N	-1	3	321.332	2.942	40	0		DFABHM
Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1	ZINC000034957190	425842780	/nfs/dbraw/zinc/84/27/80/425842780.db2.gz	HJWKBTRUMZHSNZ-UHFFFAOYSA-N	-1	3	300.742	2.862	40	0		DFABHM
Cc1cc(=O)[n-]c([C@]2(C)CCCN2C(=O)c2ccccc2F)n1	ZINC000257226048	427317098	/nfs/dbraw/zinc/31/70/98/427317098.db2.gz	FIXLVBLBASYJMQ-KRWDZBQOSA-N	-1	3	315.348	2.781	40	0		DFABHM
CN1CCC[C@@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257230929	427318062	/nfs/dbraw/zinc/31/80/62/427318062.db2.gz	GENGXGMPBXPXGA-ZDUSSCGKSA-N	-1	3	311.385	2.726	40	0		DFABHM
CC(C)c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC23CCC3)n1	ZINC000019452500	280566778	/nfs/dbraw/zinc/56/67/78/280566778.db2.gz	OTVMFJQISZZWCK-JSGCOSHPSA-N	-1	3	315.417	2.747	40	0		DFABHM
O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1CCc1ccncc1	ZINC000585181335	398437060	/nfs/dbraw/zinc/43/70/60/398437060.db2.gz	NUXOWGHTQYZYQO-HNNXBMFYSA-N	-1	3	321.384	2.590	40	0		DFABHM
CCC[C@@]1(C)Nc2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN21	ZINC000588229270	398490675	/nfs/dbraw/zinc/49/06/75/398490675.db2.gz	RMJZJVJUPQYXPT-DOMZBBRYSA-N	-1	3	304.419	2.735	40	0		DFABHM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN2C(C)C)n1	ZINC000072360153	191132366	/nfs/dbraw/zinc/13/23/66/191132366.db2.gz	GLHHNGFGKCNGBW-LBPRGKRZSA-N	-1	3	304.423	2.925	40	0		DFABHM
CC(C)(C)OC(=O)NCc1ccc(F)cc1-c1cnc[n-]c1=O	ZINC000096312740	398659414	/nfs/dbraw/zinc/65/94/14/398659414.db2.gz	QFXDXGLNQZMXAI-UHFFFAOYSA-N	-1	3	319.336	2.601	40	0		DFABHM
c1nnc([N-]c2cncc([C@H]3CCCN3CC3CC3)n2)s1	ZINC000072376298	191138913	/nfs/dbraw/zinc/13/89/13/191138913.db2.gz	LXRDOXKUKZCWAI-GFCCVEGCSA-N	-1	3	302.407	2.619	40	0		DFABHM
O=C([O-])[C@H]1CCCN(Cc2ccc(Br)s2)C1	ZINC000003750174	181044673	/nfs/dbraw/zinc/04/46/73/181044673.db2.gz	VRWIGQLKXXPHKZ-QMMMGPOBSA-N	-1	3	304.209	2.807	40	0		DFABHM
CCOC(=O)c1cn[n-]c1NC(=O)Nc1ccc(Cl)cc1	ZINC000006265603	181324452	/nfs/dbraw/zinc/32/44/52/181324452.db2.gz	MYOFENCFDMHQSI-UHFFFAOYSA-N	-1	3	308.725	2.884	40	0		DFABHM
CCOC(=O)c1c[n-]nc1NC(=O)Nc1ccc(Cl)cc1	ZINC000006265603	181324454	/nfs/dbraw/zinc/32/44/54/181324454.db2.gz	MYOFENCFDMHQSI-UHFFFAOYSA-N	-1	3	308.725	2.884	40	0		DFABHM
Cc1cc([O-])c(C(=O)Nc2ccccc2)c(=O)n1Cc1ccco1	ZINC000016790267	182060687	/nfs/dbraw/zinc/06/06/87/182060687.db2.gz	HOBGWHRREPPLLE-UHFFFAOYSA-N	-1	3	324.336	2.756	40	0		DFABHM
Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[n-]c(=O)c1C	ZINC000019555369	182130319	/nfs/dbraw/zinc/13/03/19/182130319.db2.gz	XLZNZQOVJXSSBB-HNNXBMFYSA-N	-1	3	315.392	2.905	40	0		DFABHM
O=C1c2ccccc2C(=O)N1Cc1ccc([O-])c2ncccc12	ZINC000220123602	542879861	/nfs/dbraw/zinc/87/98/61/542879861.db2.gz	AHQPELXRFVVVKY-UHFFFAOYSA-N	-1	3	304.305	2.737	40	0		DFABHM
Cc1c([O-])[nH]c2ccc(I)cc2c1=O	ZINC000606299160	543473303	/nfs/dbraw/zinc/47/33/03/543473303.db2.gz	RKDDZKBIZWXZSR-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
Cc1c([O-])c2cc(I)ccc2[nH]c1=O	ZINC000606299160	543473304	/nfs/dbraw/zinc/47/33/04/543473304.db2.gz	RKDDZKBIZWXZSR-UHFFFAOYSA-N	-1	3	301.083	2.559	40	0		DFABHM
CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2F)N1	ZINC000059488955	425898569	/nfs/dbraw/zinc/89/85/69/425898569.db2.gz	NPQIXYHUQXEJCX-GFCCVEGCSA-N	-1	3	304.243	2.689	40	0		DFABHM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1ccccc1)C2	ZINC000012666957	425734788	/nfs/dbraw/zinc/73/47/88/425734788.db2.gz	USQQEMDUIFXRFD-UHFFFAOYSA-N	-1	3	320.396	2.871	40	0		DFABHM
Cc1cccc(C)c1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000078551819	426175098	/nfs/dbraw/zinc/17/50/98/426175098.db2.gz	MXSAVPKVHJVHBL-UHFFFAOYSA-N	-1	3	318.398	2.927	40	0		DFABHM
O=C(Nc1ccc2c(c1)C(=O)NC2)c1c[n-]nc1-c1ccccc1	ZINC000078796770	426186751	/nfs/dbraw/zinc/18/67/51/426186751.db2.gz	KLISCVBGKJTFCL-UHFFFAOYSA-N	-1	3	318.336	2.572	40	0		DFABHM
O=c1[nH]c(=S)[n-]c2c1cnn2-c1cccc(Br)c1	ZINC000085397949	426251152	/nfs/dbraw/zinc/25/11/52/426251152.db2.gz	MBPDNMCARIAUAO-UHFFFAOYSA-N	-1	3	323.175	2.946	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)c(C)c1	ZINC000222680711	426584126	/nfs/dbraw/zinc/58/41/26/426584126.db2.gz	LDAOKXWMBVQLHU-LLVKDONJSA-N	-1	3	308.403	2.948	40	0		DFABHM
CCc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)c([O-])c1	ZINC000191726334	427414106	/nfs/dbraw/zinc/41/41/06/427414106.db2.gz	BIJBUEULNFBJHV-UHFFFAOYSA-N	-1	3	313.401	2.704	40	0		DFABHM
COc1ccccc1CCN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1	ZINC000192573814	427565252	/nfs/dbraw/zinc/56/52/52/427565252.db2.gz	XFKZTNGONSYVPS-ZDUSSCGKSA-N	-1	3	301.390	2.735	40	0		DFABHM
CCc1nccn1[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1	ZINC000192577673	427565356	/nfs/dbraw/zinc/56/53/56/427565356.db2.gz	HOPJZPWRIFIZAS-KBPBESRZSA-N	-1	3	315.421	2.648	40	0		DFABHM
C=Cn1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1	ZINC000010119650	398376945	/nfs/dbraw/zinc/37/69/45/398376945.db2.gz	JSTNAJQJZKROPG-UHFFFAOYSA-N	-1	3	315.720	2.939	40	0		DFABHM
Cc1[n-]c2c(F)cccc2c(=O)c1I	ZINC000072207190	398612614	/nfs/dbraw/zinc/61/26/14/398612614.db2.gz	HFMGNTOGJCDUID-UHFFFAOYSA-N	-1	3	303.074	2.580	40	0		DFABHM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCN(C(C)C)C2)n1	ZINC000072360156	191131505	/nfs/dbraw/zinc/13/15/05/191131505.db2.gz	OVVJNJNRAHBWRH-LBPRGKRZSA-N	-1	3	318.450	2.968	40	0		DFABHM
Cc1ccccc1NC(=O)C[C@@H](NCc1ccccc1)C(=O)[O-]	ZINC000000195884	180722470	/nfs/dbraw/zinc/72/24/70/180722470.db2.gz	OAXVMXHRCPKDIC-MRXNPFEDSA-N	-1	3	312.369	2.567	40	0		DFABHM
CC(C)C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000005462041	181246061	/nfs/dbraw/zinc/24/60/61/181246061.db2.gz	QXDQINZXMAXFKY-LLVKDONJSA-N	-1	3	314.179	2.678	40	0		DFABHM
C[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])n1cncn1	ZINC000081459999	192270881	/nfs/dbraw/zinc/27/08/81/192270881.db2.gz	LMJASRXRGBLYHR-CYBMUJFWSA-N	-1	3	322.368	2.774	40	0		DFABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1	ZINC000006316424	181329511	/nfs/dbraw/zinc/32/95/11/181329511.db2.gz	WWAFGUQLKKVZNU-UHFFFAOYSA-N	-1	3	317.288	2.913	40	0		DFABHM
Cc1cc(C[N-]S(=O)(=O)c2ccccc2C(C)(C)C)no1	ZINC000078903913	398996822	/nfs/dbraw/zinc/99/68/22/398996822.db2.gz	FYEGUOKHXYYPJY-UHFFFAOYSA-N	-1	3	308.403	2.759	40	0		DFABHM
COc1cc(-c2cc(-c3ccc(O)cc3[O-])nn2C)ccc1O	ZINC000257314057	203038509	/nfs/dbraw/zinc/03/85/09/203038509.db2.gz	UVDIBAJCKPPFDI-UHFFFAOYSA-N	-1	3	312.325	2.880	40	0		DFABHM
O=C([N-]C1CCN(Cc2ccccc2F)CC1)C(F)(F)Cl	ZINC000195570565	399187811	/nfs/dbraw/zinc/18/78/11/399187811.db2.gz	CSOFPFFPBIVEEN-UHFFFAOYSA-N	-1	3	320.742	2.738	40	0		DFABHM
Cc1nc([C@H]2CCCN(Cc3ccccc3F)C2)[n-]c(=O)c1C	ZINC000019555412	182130300	/nfs/dbraw/zinc/13/03/00/182130300.db2.gz	VLTACCQVUDXLDL-HNNXBMFYSA-N	-1	3	315.392	2.905	40	0		DFABHM
Cc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)[n-]c(=O)c1C	ZINC000019555409	182130457	/nfs/dbraw/zinc/13/04/57/182130457.db2.gz	VLTACCQVUDXLDL-OAHLLOKOSA-N	-1	3	315.392	2.905	40	0		DFABHM
Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000019937423	182167483	/nfs/dbraw/zinc/16/74/83/182167483.db2.gz	LTPUYSBGXGKTNR-UHFFFAOYSA-N	-1	3	305.765	2.530	40	0		DFABHM
Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1	ZINC000040571840	183104327	/nfs/dbraw/zinc/10/43/27/183104327.db2.gz	FYRFKWOBXWAUTL-UHFFFAOYSA-N	-1	3	300.742	2.862	40	0		DFABHM
CCC[C@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1	ZINC000084740694	542514064	/nfs/dbraw/zinc/51/40/64/542514064.db2.gz	QUZXHOHPWAFJLK-HNNXBMFYSA-N	-1	3	319.449	2.748	40	0		DFABHM
CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000006324974	257218529	/nfs/dbraw/zinc/21/85/29/257218529.db2.gz	PMEGNXFHJAWAPM-ZETCQYMHSA-N	-1	3	312.254	2.978	40	0		DFABHM
Cc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)o1	ZINC000012185874	425722480	/nfs/dbraw/zinc/72/24/80/425722480.db2.gz	KCWRKGPYZBXARH-UHFFFAOYSA-N	-1	3	322.368	2.704	40	0		DFABHM
O=c1[n-]c(Cl)nc2ccc(I)cc12	ZINC000026899509	425813685	/nfs/dbraw/zinc/81/36/85/425813685.db2.gz	RNNFGDPEHFUGQL-UHFFFAOYSA-N	-1	3	306.490	2.593	40	0		DFABHM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2N1	ZINC000078403887	426168417	/nfs/dbraw/zinc/16/84/17/426168417.db2.gz	PLYFLNGFZJRYMI-SNVBAGLBSA-N	-1	3	306.362	2.983	40	0		DFABHM
Cc1csc(C2([N-]S(=O)(=O)c3cccnc3)CCCC2)n1	ZINC000078674354	426180140	/nfs/dbraw/zinc/18/01/40/426180140.db2.gz	YZAHUKPPKOEXHD-UHFFFAOYSA-N	-1	3	323.443	2.594	40	0		DFABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(F)c2)cc1	ZINC000216395047	426559968	/nfs/dbraw/zinc/55/99/68/426559968.db2.gz	OTRKYDFZLUDTQT-UHFFFAOYSA-N	-1	3	323.345	2.554	40	0		DFABHM
O=C([O-])c1ccccc1-c1ccc(CN2CCC(CO)CC2)o1	ZINC000257225181	427317335	/nfs/dbraw/zinc/31/73/35/427317335.db2.gz	FFFATMFEJCONHB-UHFFFAOYSA-N	-1	3	315.369	2.849	40	0		DFABHM
CN1CCC[C@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257230928	427319130	/nfs/dbraw/zinc/31/91/30/427319130.db2.gz	GENGXGMPBXPXGA-CYBMUJFWSA-N	-1	3	311.385	2.726	40	0		DFABHM
Cc1cc(C)nc([C@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C2)n1	ZINC000257256610	427325736	/nfs/dbraw/zinc/32/57/36/427325736.db2.gz	KMFJVVFOOBVNLA-INIZCTEOSA-N	-1	3	311.385	2.781	40	0		DFABHM
C[C@H](CCNC(=O)c1c[n-]nn1)c1cccc(C(F)(F)F)c1	ZINC000078966917	185136266	/nfs/dbraw/zinc/13/62/66/185136266.db2.gz	GYAJANIDTVRYBW-SECBINFHSA-N	-1	3	312.295	2.747	40	0		DFABHM
C[C@H](CCNC(=O)c1cnn[n-]1)c1cccc(C(F)(F)F)c1	ZINC000078966917	185136267	/nfs/dbraw/zinc/13/62/67/185136267.db2.gz	GYAJANIDTVRYBW-SECBINFHSA-N	-1	3	312.295	2.747	40	0		DFABHM
C[C@H](CCNC(=O)c1cn[n-]n1)c1cccc(C(F)(F)F)c1	ZINC000078966917	185136268	/nfs/dbraw/zinc/13/62/68/185136268.db2.gz	GYAJANIDTVRYBW-SECBINFHSA-N	-1	3	312.295	2.747	40	0		DFABHM
Cc1cccc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1[O-]	ZINC000078997652	185143421	/nfs/dbraw/zinc/14/34/21/185143421.db2.gz	YRYAPTNAWYNSIK-IVZQSRNASA-N	-1	3	317.410	2.550	40	0		DFABHM
Cc1cccc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1[O-]	ZINC000078997657	185143541	/nfs/dbraw/zinc/14/35/41/185143541.db2.gz	YRYAPTNAWYNSIK-NYHFZMIOSA-N	-1	3	317.410	2.550	40	0		DFABHM
C[C@@H]1CCCC2=C1NN(C(=O)C(C)(C)C)[C@]2([O-])C(F)(F)F	ZINC000006522801	398355122	/nfs/dbraw/zinc/35/51/22/398355122.db2.gz	PYTHXMVZNBSUAX-JRKPZEMJSA-N	-1	3	306.328	2.918	40	0		DFABHM
C[C@@H]1CCCC2=C1NN(C(=O)C(C)(C)C)[C@]2([O-])C(F)(F)F	ZINC000006523019	398355644	/nfs/dbraw/zinc/35/56/44/398355644.db2.gz	PYTHXMVZNBSUAX-VYUIOLGVSA-N	-1	3	306.328	2.918	40	0		DFABHM
O=S(=O)([N-][C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1Cl	ZINC000008377180	398373208	/nfs/dbraw/zinc/37/32/08/398373208.db2.gz	MJNXOCKCCAWZEG-MNOVXSKESA-N	-1	3	324.229	2.575	40	0		DFABHM
O=c1[n-]c(=O)c2sc(SCc3cccc(F)c3)nc2[nH]1	ZINC000004987575	181184935	/nfs/dbraw/zinc/18/49/35/181184935.db2.gz	JCIFIZNKZPLDOU-UHFFFAOYSA-N	-1	3	309.347	2.517	40	0		DFABHM
Cn1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cn1	ZINC000081458648	192270869	/nfs/dbraw/zinc/27/08/69/192270869.db2.gz	USXVVIKWWKESOG-UHFFFAOYSA-N	-1	3	313.279	2.716	40	0		DFABHM
Cc1ccc([C@H]2C[C@@H]2C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)cc1	ZINC000006788553	181389023	/nfs/dbraw/zinc/38/90/23/181389023.db2.gz	XYBFUWKBQOPFHB-MBNYWOFBSA-N	-1	3	312.291	2.568	40	0		DFABHM
Cc1cccc(OCC[N-]S(=O)(=O)c2cccs2)c1C	ZINC000223964203	201665711	/nfs/dbraw/zinc/66/57/11/201665711.db2.gz	QIJLNFSYJGMCSU-UHFFFAOYSA-N	-1	3	311.428	2.722	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@]2(C)CCCN2C(=O)c2cccc(F)c2)n1	ZINC000257334754	203055744	/nfs/dbraw/zinc/05/57/44/203055744.db2.gz	YHGKBSLLDZTIQL-QGZVFWFLSA-N	-1	3	315.348	2.781	40	0		DFABHM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@H]2CCCN(C)C2)n1	ZINC000257334118	203056628	/nfs/dbraw/zinc/05/66/28/203056628.db2.gz	YEQKTGXKFNCWKC-HNNXBMFYSA-N	-1	3	311.385	2.959	40	0		DFABHM
C[C@H](NCc1ccccc1F)c1cc(=O)[n-]c(-c2cccnc2)n1	ZINC000019458473	182124379	/nfs/dbraw/zinc/12/43/79/182124379.db2.gz	FMBQDRGJGYDOCZ-LBPRGKRZSA-N	-1	3	324.359	2.822	40	0		DFABHM
COc1cc(-c2noc(-c3ccc([O-])cc3)n2)cc2c1OCO2	ZINC000066087746	542458247	/nfs/dbraw/zinc/45/82/47/542458247.db2.gz	KUWYWVBDYMRMTB-UHFFFAOYSA-N	-1	3	312.281	2.847	40	0		DFABHM
COc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2OC)c([O-])c1	ZINC000083927853	542504364	/nfs/dbraw/zinc/50/43/64/542504364.db2.gz	OXRPEEYMCATCMR-HUUCEWRRSA-N	-1	3	313.353	2.695	40	0		DFABHM
O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)NCc1ccco1	ZINC000000195727	425543063	/nfs/dbraw/zinc/54/30/63/425543063.db2.gz	XUFMAZVLSUTPOP-ZDUSSCGKSA-N	-1	3	322.748	2.505	40	0		DFABHM
O=C(C[C@@H]1C(=O)Sc2[n-]c(=O)sc21)c1ccc(F)cc1	ZINC000007699133	425648911	/nfs/dbraw/zinc/64/89/11/425648911.db2.gz	TYXDEWTYIPZPSG-QMMMGPOBSA-N	-1	3	309.343	2.564	40	0		DFABHM
COc1cc(C(=S)NCc2ccccc2)cc(OC)c1[O-]	ZINC000009188075	425682660	/nfs/dbraw/zinc/68/26/60/425682660.db2.gz	QOIZKIDPTGYDNY-UHFFFAOYSA-N	-1	3	303.383	2.875	40	0		DFABHM
CCc1cccc2c(CN3CCc4nc(C)[n-]c(=O)c4C3)c[nH]c21	ZINC000012185048	425721595	/nfs/dbraw/zinc/72/15/95/425721595.db2.gz	BTFDGKOTKAFPOM-UHFFFAOYSA-N	-1	3	322.412	2.680	40	0		DFABHM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)[C@H](c1ccccc1)C2	ZINC000018203776	425789414	/nfs/dbraw/zinc/78/94/14/425789414.db2.gz	SBDMJDUDXQFJHP-HOCLYGCPSA-N	-1	3	303.365	2.824	40	0		DFABHM
COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1	ZINC000032591306	425839065	/nfs/dbraw/zinc/83/90/65/425839065.db2.gz	UMWGRRGXYNGOBZ-UHFFFAOYSA-N	-1	3	321.398	2.951	40	0		DFABHM
Cc1noc(C)c1S(=O)(=O)[N-]CCCc1cccc(C)c1	ZINC000074554311	426054226	/nfs/dbraw/zinc/05/42/26/426054226.db2.gz	JBPZFGIVMYLEAX-UHFFFAOYSA-N	-1	3	308.403	2.511	40	0		DFABHM
Cc1c2ccccc2oc(=O)c1C(=O)Nc1n[n-]c(C(C)C)n1	ZINC000078709036	426182469	/nfs/dbraw/zinc/18/24/69/426182469.db2.gz	LLFGOLZVAXGPEX-UHFFFAOYSA-N	-1	3	312.329	2.595	40	0		DFABHM
CN(Cc1cccn1C)C(=O)c1ccc2[n-]c(Cl)nc2c1	ZINC000225985097	426616124	/nfs/dbraw/zinc/61/61/24/426616124.db2.gz	SBBAVDHKDNDMAW-UHFFFAOYSA-N	-1	3	302.765	2.827	40	0		DFABHM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@H]2CCCCN2C)n1	ZINC000257251521	427323534	/nfs/dbraw/zinc/32/35/34/427323534.db2.gz	JRCACDOHLGJWJJ-MRXNPFEDSA-N	-1	3	312.373	2.702	40	0		DFABHM
Cc1c[nH]nc1C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1	ZINC000257282452	427332966	/nfs/dbraw/zinc/33/29/66/427332966.db2.gz	OTVAGQMUWIFBBN-OAHLLOKOSA-N	-1	3	313.401	2.871	40	0		DFABHM
CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(=S)[nH]2)C1	ZINC000096311412	277184340	/nfs/dbraw/zinc/18/43/40/277184340.db2.gz	ZNNQKXAKSNZHKZ-SECBINFHSA-N	-1	3	311.407	2.547	40	0		DFABHM
CCCc1cc(=O)[n-]c(C(=Cc2ccc3c(c2)nnn3C)CC)n1	ZINC000564401346	302132641	/nfs/dbraw/zinc/13/26/41/302132641.db2.gz	XDIBZHVPRQWXQZ-LCYFTJDESA-N	-1	3	323.400	2.955	40	0		DFABHM
[O-]c1cc(Nc2ccncc2)ccc1I	ZINC000685937878	546412403	/nfs/dbraw/zinc/41/24/03/546412403.db2.gz	YHYXWKSOKJNVDT-UHFFFAOYSA-N	-1	3	312.110	2.557	40	0		DFABHM
Cc1cccc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c1[O-]	ZINC000078997645	185143271	/nfs/dbraw/zinc/14/32/71/185143271.db2.gz	YRYAPTNAWYNSIK-OYHNWAKOSA-N	-1	3	317.410	2.550	40	0		DFABHM
O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1Cl	ZINC000008377192	398372755	/nfs/dbraw/zinc/37/27/55/398372755.db2.gz	MJNXOCKCCAWZEG-QWRGUYRKSA-N	-1	3	324.229	2.575	40	0		DFABHM
CC[C@H](Sc1ccccc1)C(=O)NCc1nc(C)cc(=O)[n-]1	ZINC000585141619	398435763	/nfs/dbraw/zinc/43/57/63/398435763.db2.gz	VZSGIYBBECUKFT-ZDUSSCGKSA-N	-1	3	317.414	2.678	40	0		DFABHM
COc1cc2c(cc1[N-]S(=O)(=O)N(C)C)oc1ccccc12	ZINC000083851282	192386325	/nfs/dbraw/zinc/38/63/25/192386325.db2.gz	NEWCYWQHUDGBLC-UHFFFAOYSA-N	-1	3	320.370	2.813	40	0		DFABHM
CC(=O)N1CCC[C@@H](c2nccnc2[N-]c2ncc(C)s2)C1	ZINC000072365553	191134347	/nfs/dbraw/zinc/13/43/47/191134347.db2.gz	SCERNSAWERSWTC-GFCCVEGCSA-N	-1	3	317.418	2.711	40	0		DFABHM
COC(=O)c1cc(-c2ccc([O-])c(C=O)c2)cc([N+](=O)[O-])c1	ZINC000096312794	398659379	/nfs/dbraw/zinc/65/93/79/398659379.db2.gz	GEFIMKWNHPEXAO-UHFFFAOYSA-N	-1	3	301.254	2.567	40	0		DFABHM
Cn1c2ccccc2nc1Sc1nc2ccccc2c(=O)[n-]1	ZINC000005646635	181268233	/nfs/dbraw/zinc/26/82/33/181268233.db2.gz	FWKYVPFUNYUBGN-UHFFFAOYSA-N	-1	3	308.366	2.961	40	0		DFABHM
Cc1cncc(C2CCN(Cc3ccccc3C(=O)[O-])CC2)n1	ZINC000257293532	203019277	/nfs/dbraw/zinc/01/92/77/203019277.db2.gz	QPXHYJOPMAJTFI-UHFFFAOYSA-N	-1	3	311.385	2.863	40	0		DFABHM
Cc1cc(=O)[n-]c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1	ZINC000019117964	182105085	/nfs/dbraw/zinc/10/50/85/182105085.db2.gz	HZDCHEORCNAKPI-CQSZACIVSA-N	-1	3	301.365	2.597	40	0		DFABHM
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1c[n-]nn1	ZINC000121753607	195340867	/nfs/dbraw/zinc/34/08/67/195340867.db2.gz	UDFSAKOHKYUYGN-ZYHUDNBSSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cnn[n-]1	ZINC000121753607	195340870	/nfs/dbraw/zinc/34/08/70/195340870.db2.gz	UDFSAKOHKYUYGN-ZYHUDNBSSA-N	-1	3	324.306	2.890	40	0		DFABHM
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cn[n-]n1	ZINC000121753607	195340873	/nfs/dbraw/zinc/34/08/73/195340873.db2.gz	UDFSAKOHKYUYGN-ZYHUDNBSSA-N	-1	3	324.306	2.890	40	0		DFABHM
C=CC(=CC=C(C)C)c1cc2nc3c(=O)[n-]c(=O)n(C)c3nc2o1	ZINC000585152451	543460645	/nfs/dbraw/zinc/46/06/45/543460645.db2.gz	GVICQLBRVRQRBB-JXMROGBWSA-N	-1	3	324.340	2.711	40	0		DFABHM
CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2N)N1	ZINC000000871843	425572364	/nfs/dbraw/zinc/57/23/64/425572364.db2.gz	ROQRNSBNVCCPKG-ZDUSSCGKSA-N	-1	3	315.295	2.522	40	0		DFABHM
CCCCOc1ccc([C@@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1	ZINC000001880479	425587336	/nfs/dbraw/zinc/58/73/36/425587336.db2.gz	NFRCXIFPMBJPAU-LJQANCHMSA-N	-1	3	324.380	2.949	40	0		DFABHM
CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccccc2)N1	ZINC000000248943	425547659	/nfs/dbraw/zinc/54/76/59/425547659.db2.gz	JGJKWFUJIODOML-CQSZACIVSA-N	-1	3	314.307	2.724	40	0		DFABHM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1)[C@@H](c1ccccc1)C2	ZINC000017328736	425787342	/nfs/dbraw/zinc/78/73/42/425787342.db2.gz	SBDMJDUDXQFJHP-GDBMZVCRSA-N	-1	3	303.365	2.824	40	0		DFABHM
Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[n-]2)on1	ZINC000019119871	425788777	/nfs/dbraw/zinc/78/87/77/425788777.db2.gz	UJHKJBIFTNGLHB-GFCCVEGCSA-N	-1	3	316.361	2.579	40	0		DFABHM
Cc1cc2c(ncc([O-])c2F)n1S(=O)(=O)c1ccc(C)cc1	ZINC000031777062	425836070	/nfs/dbraw/zinc/83/60/70/425836070.db2.gz	BUKSLQZVIOLDGK-UHFFFAOYSA-N	-1	3	320.345	2.735	40	0		DFABHM
CN(C)Cc1cc(Br)c([O-])c(Br)c1	ZINC000031924393	425836661	/nfs/dbraw/zinc/83/66/61/425836661.db2.gz	UNZDLUPNYDSTFC-UHFFFAOYSA-N	-1	3	309.001	2.979	40	0		DFABHM
COc1ccc(-n2ncc3c2[n-]c(=S)[nH]c3=O)cc1Cl	ZINC000085397992	426251060	/nfs/dbraw/zinc/25/10/60/426251060.db2.gz	LFXOTDBSSUVIFL-UHFFFAOYSA-N	-1	3	308.750	2.846	40	0		DFABHM
COC(=O)c1cc2nc(SC)[n-]c2c(Br)c1	ZINC000085388583	426251398	/nfs/dbraw/zinc/25/13/98/426251398.db2.gz	VMYWMXKCHVSUAE-UHFFFAOYSA-N	-1	3	301.165	2.834	40	0		DFABHM
Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)s2)s1	ZINC000085471016	426252511	/nfs/dbraw/zinc/25/25/11/426252511.db2.gz	YHULQVFEBXSBIC-UHFFFAOYSA-N	-1	3	322.864	2.953	40	0		DFABHM
Cc1nc2c(cc1C(=O)[O-])CCN(Cc1ccsc1)CC2	ZINC000096189557	426404875	/nfs/dbraw/zinc/40/48/75/426404875.db2.gz	BOUKMXRWMIGUPN-UHFFFAOYSA-N	-1	3	302.399	2.751	40	0		DFABHM
CCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1	ZINC000216237649	426558920	/nfs/dbraw/zinc/55/89/20/426558920.db2.gz	KDBFJIKTWVDXEI-UHFFFAOYSA-N	-1	3	318.826	2.632	40	0		DFABHM
CO[C@@H]1CCCOC12CCN(Cc1cccc(C(=O)[O-])c1)CC2	ZINC000257337781	427331144	/nfs/dbraw/zinc/33/11/44/427331144.db2.gz	YUIDXQBVSVFHHQ-MRXNPFEDSA-N	-1	3	319.401	2.545	40	0		DFABHM
Cc1cc(=O)[n-]c([C@]2(C)CCCN2C(=O)C2CCCCC2)n1	ZINC000257263221	301375374	/nfs/dbraw/zinc/37/53/74/301375374.db2.gz	LOXXSPQKVOGANT-KRWDZBQOSA-N	-1	3	303.406	2.909	40	0		DFABHM
COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1	ZINC000078985517	185140310	/nfs/dbraw/zinc/14/03/10/185140310.db2.gz	NOEXMIUORZFEDT-CQSZACIVSA-N	-1	3	309.387	2.562	40	0		DFABHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc3c(c2)CC(C)(C)O3)S1	ZINC000010299368	398377405	/nfs/dbraw/zinc/37/74/05/398377405.db2.gz	ARPSYPNMDKFQKA-NTUHNPAUSA-N	-1	3	316.382	2.507	40	0		DFABHM
CCC[C@]1(C)Nc2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN21	ZINC000588229271	398490606	/nfs/dbraw/zinc/49/06/06/398490606.db2.gz	RMJZJVJUPQYXPT-IUODEOHRSA-N	-1	3	304.419	2.735	40	0		DFABHM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCN2C(C)C)n1	ZINC000072360154	191131644	/nfs/dbraw/zinc/13/16/44/191131644.db2.gz	GLHHNGFGKCNGBW-GFCCVEGCSA-N	-1	3	304.423	2.925	40	0		DFABHM
O=C(OCc1ccccc1)c1ccc(-c2cnc[n-]c2=O)cc1	ZINC000096301878	398659351	/nfs/dbraw/zinc/65/93/51/398659351.db2.gz	SRMLFPAHLXPBCZ-UHFFFAOYSA-N	-1	3	306.321	2.794	40	0		DFABHM
Cc1cccc(CSc2nc3[nH]c(=O)[n-]c(=O)c3s2)c1	ZINC000004987567	181184821	/nfs/dbraw/zinc/18/48/21/181184821.db2.gz	CAJHGMIXBVWPBY-UHFFFAOYSA-N	-1	3	305.384	2.686	40	0		DFABHM
O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1nc[n-]n1	ZINC000005528291	181253973	/nfs/dbraw/zinc/25/39/73/181253973.db2.gz	LAPWONVXVAPCMW-UHFFFAOYSA-N	-1	3	305.297	2.865	40	0		DFABHM
CC(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1[O-]	ZINC000005546095	181255487	/nfs/dbraw/zinc/25/54/87/181255487.db2.gz	JTPOJSYXWVAWSO-UHFFFAOYSA-N	-1	3	306.339	2.671	40	0		DFABHM
CC(C)c1nc(S(=O)(=O)[N-][C@H](c2ccccn2)C(C)C)c[nH]1	ZINC000080759146	192188723	/nfs/dbraw/zinc/18/87/23/192188723.db2.gz	HYXLWKARDQOTGK-AWEZNQCLSA-N	-1	3	322.434	2.604	40	0		DFABHM
CCOc1ccc2[n-]cc(C(=O)NCc3ccccc3)c(=O)c2c1	ZINC000015951962	182025830	/nfs/dbraw/zinc/02/58/30/182025830.db2.gz	RTQHZKQLXFRUEV-UHFFFAOYSA-N	-1	3	322.364	2.857	40	0		DFABHM
C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC2CCCC2)n1	ZINC000019457442	182123678	/nfs/dbraw/zinc/12/36/78/182123678.db2.gz	UJCUFLYSKWHCPL-SNVBAGLBSA-N	-1	3	321.812	2.778	40	0		DFABHM
CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cc2ccccc2)N1	ZINC000000248937	256511860	/nfs/dbraw/zinc/51/18/60/256511860.db2.gz	JGJKWFUJIODOML-AWEZNQCLSA-N	-1	3	314.307	2.724	40	0		DFABHM
COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1[O-]	ZINC000021596241	257217657	/nfs/dbraw/zinc/21/76/57/257217657.db2.gz	GNNGVSCONPUILX-UHFFFAOYSA-N	-1	3	316.382	2.836	40	0		DFABHM
CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1	ZINC000001621914	425582806	/nfs/dbraw/zinc/58/28/06/425582806.db2.gz	IUTUDKMGBFWYHK-CVEARBPZSA-N	-1	3	323.348	2.523	40	0		DFABHM
CC(=O)c1c(=O)[nH]c2ccc([O-])c3c2c1-c1ccccc1C3=O	ZINC000011851848	425713085	/nfs/dbraw/zinc/71/30/85/425713085.db2.gz	XRMILVDNNSJKDT-UHFFFAOYSA-N	-1	3	305.289	2.648	40	0		DFABHM
Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Cl)c(Cl)c1)CC2	ZINC000012185029	425722297	/nfs/dbraw/zinc/72/22/97/425722297.db2.gz	NJUMYQSZMBSGCF-UHFFFAOYSA-N	-1	3	324.211	2.943	40	0		DFABHM
CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000113739906	426120132	/nfs/dbraw/zinc/12/01/32/426120132.db2.gz	CGNRTMKJPGIJJN-UHFFFAOYSA-N	-1	3	323.345	2.803	40	0		DFABHM
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccccc2[O-])C1	ZINC000084200033	426234451	/nfs/dbraw/zinc/23/44/51/426234451.db2.gz	KJMUXJJZCRKIKE-LLVKDONJSA-N	-1	3	306.362	2.588	40	0		DFABHM
O=C(c1cccc([O-])c1)N1CC2(C1)C[C@@H](OCC1CC1)CS2	ZINC000575405032	398368762	/nfs/dbraw/zinc/36/87/62/398368762.db2.gz	QJWKZACPCMVGBX-OAHLLOKOSA-N	-1	3	319.426	2.519	40	0		DFABHM
C=Cn1nnc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)n1	ZINC000010119653	398376577	/nfs/dbraw/zinc/37/65/77/398376577.db2.gz	AQYGJIDTRWDPTN-UHFFFAOYSA-N	-1	3	315.720	2.939	40	0		DFABHM
C[C@@H](Cc1ccsc1)NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000084640952	398405523	/nfs/dbraw/zinc/40/55/23/398405523.db2.gz	MHKDHISVRAHBIJ-NSHDSACASA-N	-1	3	312.394	2.951	40	0		DFABHM
CC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1	ZINC000585142156	398436543	/nfs/dbraw/zinc/43/65/43/398436543.db2.gz	QFRPKOVYNPDVMN-UHFFFAOYSA-N	-1	3	321.801	2.907	40	0		DFABHM
O=S(=O)([N-]c1cc(Br)c(F)cc1F)C1CC1	ZINC000191878881	186269208	/nfs/dbraw/zinc/26/92/08/186269208.db2.gz	MYGZFPCDBXZSFH-UHFFFAOYSA-N	-1	3	312.135	2.631	40	0		DFABHM
CCC(=O)N1CCC[C@@H]1c1csc([N-]c2cnccn2)n1	ZINC000072384759	191143707	/nfs/dbraw/zinc/14/37/07/191143707.db2.gz	PUSMUELLLQTWDI-LLVKDONJSA-N	-1	3	303.391	2.750	40	0		DFABHM
COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CC(C)C	ZINC000072414533	191155743	/nfs/dbraw/zinc/15/57/43/191155743.db2.gz	CIKWUMQAHBDPOZ-UHFFFAOYSA-N	-1	3	312.218	2.936	40	0		DFABHM
Cc1cc(S(=O)(=O)[N-]Cc2nc(C)c(C)o2)sc1Cl	ZINC000195578762	399188823	/nfs/dbraw/zinc/18/88/23/399188823.db2.gz	SRHIZRCHSLQNRX-UHFFFAOYSA-N	-1	3	320.823	2.793	40	0		DFABHM
FC(F)(F)c1[n-]c(=S)ncc1-c1nnnn1-c1ccccc1	ZINC000016523881	182048438	/nfs/dbraw/zinc/04/84/38/182048438.db2.gz	VFPZVZUSBTYGDS-UHFFFAOYSA-N	-1	3	324.291	2.801	40	0		DFABHM
CCCCc1ccc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1	ZINC000019937498	182168117	/nfs/dbraw/zinc/16/81/17/182168117.db2.gz	BQDHDWDACWPIJK-UHFFFAOYSA-N	-1	3	313.401	2.911	40	0		DFABHM
Cn1cccc1/C=C1/[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409237246	257220440	/nfs/dbraw/zinc/22/04/40/257220440.db2.gz	IWWZYSCCGJESSJ-UKTHLTGXSA-N	-1	3	301.733	2.776	40	0		DFABHM
CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1	ZINC000408739494	257227293	/nfs/dbraw/zinc/22/72/93/257227293.db2.gz	WVPXNHPXRZAXMS-CYBMUJFWSA-N	-1	3	315.295	2.522	40	0		DFABHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408619663	257229149	/nfs/dbraw/zinc/22/91/49/257229149.db2.gz	IGGXJZMISFGEQK-UHFFFAOYSA-N	-1	3	322.361	2.893	40	0		DFABHM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)C2	ZINC000008616191	425670882	/nfs/dbraw/zinc/67/08/82/425670882.db2.gz	SBDMJDUDXQFJHP-ZBFHGGJFSA-N	-1	3	303.365	2.824	40	0		DFABHM
O=C(NCCc1ccccc1)c1c[n-]c2ccc(F)cc2c1=O	ZINC000012376315	425724233	/nfs/dbraw/zinc/72/42/33/425724233.db2.gz	RINALNMQFRIWFG-UHFFFAOYSA-N	-1	3	310.328	2.640	40	0		DFABHM
CC(C)c1nc2c(c(=O)[n-]1)CCN(Cc1ccc(F)cc1)CC2	ZINC000019453757	425789734	/nfs/dbraw/zinc/78/97/34/425789734.db2.gz	OUPBIJGCTDINKP-UHFFFAOYSA-N	-1	3	315.392	2.633	40	0		DFABHM
COc1ccc(C[C@H]2COc3cc([O-])c(C)c(O)c3C2=O)cc1	ZINC000013327574	425753027	/nfs/dbraw/zinc/75/30/27/425753027.db2.gz	OOHKTNVQRTUZRS-LBPRGKRZSA-N	-1	3	314.337	2.849	40	0	biogenic,in-vitro	DFABHM
O=C(C[C@H]1C(=O)Sc2[n-]c(=O)sc21)c1ccc(F)cc1	ZINC000101113009	426483713	/nfs/dbraw/zinc/48/37/13/426483713.db2.gz	TYXDEWTYIPZPSG-MRVPVSSYSA-N	-1	3	309.343	2.564	40	0		DFABHM
Cc1cc(C)nc([C@@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C2)n1	ZINC000257256611	427324812	/nfs/dbraw/zinc/32/48/12/427324812.db2.gz	KMFJVVFOOBVNLA-MRXNPFEDSA-N	-1	3	311.385	2.781	40	0		DFABHM
C[C@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccco1)N2	ZINC000004559060	290369000	/nfs/dbraw/zinc/36/90/00/290369000.db2.gz	WWMBCTJTJQTNDI-IGJMFERPSA-N	-1	3	316.279	2.779	40	0		DFABHM
CCc1c([O-])[nH]c2c(I)cccc2c1=O	ZINC000685937469	546411352	/nfs/dbraw/zinc/41/13/52/546411352.db2.gz	WGXCGCDMMKMICR-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM
CCc1c([O-])c2cccc(I)c2[nH]c1=O	ZINC000685937469	546411356	/nfs/dbraw/zinc/41/13/56/546411356.db2.gz	WGXCGCDMMKMICR-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM
CCc1c([O-])c2ccc(I)cc2[nH]c1=O	ZINC000685937496	546411444	/nfs/dbraw/zinc/41/14/44/546411444.db2.gz	ZGUQLHRZYYDNKY-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM
CCc1c([O-])[nH]c2cc(I)ccc2c1=O	ZINC000685937496	546411446	/nfs/dbraw/zinc/41/14/46/546411446.db2.gz	ZGUQLHRZYYDNKY-UHFFFAOYSA-N	-1	3	315.110	2.813	40	0		DFABHM