smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C)c(CC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(=O)[n-]1	ZINC000031215173	530601677	/nfs/dbraw/zinc/60/16/77/530601677.db2.gz	NHJZMCHBZAIAIX-UHFFFAOYSA-N	-1	3	380.901	1.989	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000170604002	530585875	/nfs/dbraw/zinc/58/58/75/530585875.db2.gz	HVNCLOBWNGZSTB-GFCCVEGCSA-N	-1	3	377.484	1.707	50	0		GDAAHM
Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(F)cc3)C2=O)s1	ZINC000190591387	530933637	/nfs/dbraw/zinc/93/36/37/530933637.db2.gz	JJZNMIHHOMHOTF-AWEZNQCLSA-N	-1	3	383.470	1.978	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1	ZINC000530077948	531386396	/nfs/dbraw/zinc/38/63/96/531386396.db2.gz	XLPZZIQWWKYIAU-CMPLNLGQSA-N	-1	3	382.467	1.274	50	0		GDAAHM
CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1	ZINC000006887393	204220879	/nfs/dbraw/zinc/22/08/79/204220879.db2.gz	DFGWEJLPRGNHTE-UHFFFAOYSA-N	-1	3	387.461	1.909	50	0		GDAAHM
Nc1[nH]c(=O)[n-]c(=O)c1-c1c(-c2cccc(Cl)c2)[nH]c2[nH]c(=O)[nH]c(=O)c21	ZINC000008991994	204295416	/nfs/dbraw/zinc/29/54/16/204295416.db2.gz	PKZBPVLRUFLDTR-UHFFFAOYSA-N	-1	3	386.755	1.315	50	0		GDAAHM
CCC(=O)[N-]C1=NN(C(=O)CC)[C@]2(S1)c1cc(OC)ccc1N(CC)C2=O	ZINC000009482960	204312671	/nfs/dbraw/zinc/31/26/71/204312671.db2.gz	DHCLECKZTPREGT-SFHVURJKSA-N	-1	3	390.465	1.997	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C	ZINC000009641396	204318480	/nfs/dbraw/zinc/31/84/80/204318480.db2.gz	DCIURVSBUVMCLD-ZGKFYVQTSA-N	-1	3	396.509	1.917	50	0		GDAAHM
CCOc1ccc(CN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000009114218	204299270	/nfs/dbraw/zinc/29/92/70/204299270.db2.gz	PZBOETIDRJDEOY-UHFFFAOYSA-N	-1	3	396.241	1.356	50	0		GDAAHM
Cn1cc(/C=C/C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)cn1	ZINC000012207033	204383334	/nfs/dbraw/zinc/38/33/34/204383334.db2.gz	AGZBOUSWMGGOKH-PSKZRQQASA-N	-1	3	394.522	1.712	50	0		GDAAHM
Cc1sc2ncn([N-]C(=O)c3ccc(S(C)(=O)=O)cc3)c(=O)c2c1C	ZINC000015593934	204568317	/nfs/dbraw/zinc/56/83/17/204568317.db2.gz	ZPHJHTUWLGZNQM-UHFFFAOYSA-N	-1	3	377.447	1.862	50	0		GDAAHM
CCn1ncc(Cn2cc(Cl)c([N-]C(=O)c3nc4ncccn4n3)n2)c1C	ZINC000036618830	205019158	/nfs/dbraw/zinc/01/91/58/205019158.db2.gz	HWDDPZRWVVICBO-UHFFFAOYSA-N	-1	3	385.819	1.800	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@]1(O)CCOc2ccccc21	ZINC000077099991	205032396	/nfs/dbraw/zinc/03/23/96/205032396.db2.gz	AYOZLLWONXQQMH-INIZCTEOSA-N	-1	3	383.447	1.483	50	0		GDAAHM
COc1ccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c([O-])c1	ZINC000053776407	205138580	/nfs/dbraw/zinc/13/85/80/205138580.db2.gz	FTJPLRFLOBPFEO-UHFFFAOYSA-N	-1	3	395.459	1.748	50	0		GDAAHM
CCc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1	ZINC000058228876	205169912	/nfs/dbraw/zinc/16/99/12/205169912.db2.gz	UHXBQXOTEBJIDD-UHFFFAOYSA-N	-1	3	375.450	1.496	50	0		GDAAHM
CCc1cc(C(=O)N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[n-]c3=O)C2)n[nH]1	ZINC000067878874	205266812	/nfs/dbraw/zinc/26/68/12/205266812.db2.gz	QYDCLYBVHJVTLQ-UHFFFAOYSA-N	-1	3	392.419	1.020	50	0		GDAAHM
NS(=O)(=O)c1ccc(CCNC(=O)c2c[n-]nc2-c2cccs2)cc1	ZINC000072329470	205326735	/nfs/dbraw/zinc/32/67/35/205326735.db2.gz	WKGQNTHNAZATAT-UHFFFAOYSA-N	-1	3	376.463	1.758	50	0		GDAAHM
COc1cccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c1[O-]	ZINC000299796326	206191322	/nfs/dbraw/zinc/19/13/22/206191322.db2.gz	QISLVQNCAILBLN-HUUCEWRRSA-N	-1	3	377.466	1.531	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccoc2)c(=O)[n-]c1=O	ZINC000021836229	570297508	/nfs/dbraw/zinc/29/75/08/570297508.db2.gz	MUUZYXTYMWKOMK-UHFFFAOYSA-N	-1	3	384.392	1.205	50	0		GDAAHM
O=C(CCN1C(=O)CSc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053525227	570324913	/nfs/dbraw/zinc/32/49/13/570324913.db2.gz	DNQALSGUZFHSCG-UHFFFAOYSA-N	-1	3	380.433	1.756	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(OC)n1	ZINC000575608483	570331747	/nfs/dbraw/zinc/33/17/47/570331747.db2.gz	UXPLJPVSJULVEI-UHFFFAOYSA-N	-1	3	394.331	1.266	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OCCO)c1cccs1	ZINC000575618774	570364720	/nfs/dbraw/zinc/36/47/20/570364720.db2.gz	CLIANOYJCBYCQO-CYBMUJFWSA-N	-1	3	375.443	1.924	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](OCCO)c1ccsc1	ZINC000575621763	570370551	/nfs/dbraw/zinc/37/05/51/570370551.db2.gz	TZKVCRJGGDTAIW-NSHDSACASA-N	-1	3	391.492	1.625	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000226838998	570375706	/nfs/dbraw/zinc/37/57/06/570375706.db2.gz	QIAFVDXKNZOLOR-GXTWGEPZSA-N	-1	3	377.784	1.022	50	0		GDAAHM
COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C(C)C)N2CCOCC2)cc1OC	ZINC000027969676	570445676	/nfs/dbraw/zinc/44/56/76/570445676.db2.gz	GNPNZNQUVNAFLH-AWEZNQCLSA-N	-1	3	390.477	1.478	50	0		GDAAHM
COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C(C)C)N2CCOCC2)cc1OC	ZINC000027969679	570445704	/nfs/dbraw/zinc/44/57/04/570445704.db2.gz	GNPNZNQUVNAFLH-CQSZACIVSA-N	-1	3	390.477	1.478	50	0		GDAAHM
O=C1O[C@H](C[N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2	ZINC000008838886	570683299	/nfs/dbraw/zinc/68/32/99/570683299.db2.gz	FZEROYSYMBURJU-GFCCVEGCSA-N	-1	3	394.380	1.858	50	0		GDAAHM
Cc1cc(NC(=O)[C@@H](OC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc2)no1	ZINC000012792279	570714803	/nfs/dbraw/zinc/71/48/03/570714803.db2.gz	WGFRPQQSWQQKGA-DOMZBBRYSA-N	-1	3	386.364	1.194	50	0		GDAAHM
COc1ccc(C)cc1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000032769045	570803362	/nfs/dbraw/zinc/80/33/62/570803362.db2.gz	WQSBHCNQPUCHEL-ZDUSSCGKSA-N	-1	3	395.481	1.634	50	0		GDAAHM
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000014168368	570826259	/nfs/dbraw/zinc/82/62/59/570826259.db2.gz	KNBJFQXDDFFGPE-UHFFFAOYSA-N	-1	3	398.448	1.904	50	0		GDAAHM
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000014168368	570826261	/nfs/dbraw/zinc/82/62/61/570826261.db2.gz	KNBJFQXDDFFGPE-UHFFFAOYSA-N	-1	3	398.448	1.904	50	0		GDAAHM
Cc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c(=O)[n-]1	ZINC000032842834	570851033	/nfs/dbraw/zinc/85/10/33/570851033.db2.gz	AZCFDXCDQZWZMI-AWEZNQCLSA-N	-1	3	383.448	1.836	50	0		GDAAHM
CC(C)c1cc([N-]C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)on1	ZINC000102592264	570853110	/nfs/dbraw/zinc/85/31/10/570853110.db2.gz	LUFANWVMKHRNEE-RYUDHWBXSA-N	-1	3	377.397	1.455	50	0		GDAAHM
COc1cccc2c(=O)c(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c[n-]c12	ZINC000170600161	570858613	/nfs/dbraw/zinc/85/86/13/570858613.db2.gz	DKJBFIIHTOAUJJ-AWEZNQCLSA-N	-1	3	399.447	1.660	50	0		GDAAHM
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)[N-]C1=NCCS1	ZINC000013956688	570868451	/nfs/dbraw/zinc/86/84/51/570868451.db2.gz	ZVMLUNREKQJWJA-UHFFFAOYSA-N	-1	3	394.482	1.132	50	0		GDAAHM
CN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1	ZINC000016189073	570917402	/nfs/dbraw/zinc/91/74/02/570917402.db2.gz	QCOYSVMVWBXSKA-UHFFFAOYSA-N	-1	3	389.477	1.640	50	0		GDAAHM
O=C(Nc1ccccc1[O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	ZINC000016624158	570984152	/nfs/dbraw/zinc/98/41/52/570984152.db2.gz	GKFQPJDNBNZNRE-UHFFFAOYSA-N	-1	3	380.397	1.805	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1	ZINC000091321537	571003525	/nfs/dbraw/zinc/00/35/25/571003525.db2.gz	KASCKDVZSUIXCM-INIZCTEOSA-N	-1	3	398.463	1.016	50	0		GDAAHM
CCc1noc(C)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091474903	571010440	/nfs/dbraw/zinc/01/04/40/571010440.db2.gz	KPQJXHDENFFGNV-WBVHZDCISA-N	-1	3	392.500	1.488	50	0		GDAAHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(SC)[n-]c(=O)c32)c(OC)c1	ZINC000046073849	571018878	/nfs/dbraw/zinc/01/88/78/571018878.db2.gz	LBKWXUCXIBDOGY-SECBINFHSA-N	-1	3	390.421	1.574	50	0		GDAAHM
O=C1CC2(CN1C/C=C/c1ccccc1)CCN(Cc1cc(=O)[n-]c(=O)[nH]1)CC2	ZINC000095372678	571062304	/nfs/dbraw/zinc/06/23/04/571062304.db2.gz	BFBFJCRGJYHBSU-QPJJXVBHSA-N	-1	3	394.475	1.591	50	0		GDAAHM
Cc1nc([C@@H]2CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)cc(=O)[n-]1	ZINC000095379983	571066444	/nfs/dbraw/zinc/06/64/44/571066444.db2.gz	GZXZMNIMLLWVSZ-OAHLLOKOSA-N	-1	3	376.420	1.950	50	0		GDAAHM
CN1CCN(Cc2ccccc2OCC(=O)[O-])C[C@]12CCC(=O)N(C)CC2	ZINC000095379899	571066549	/nfs/dbraw/zinc/06/65/49/571066549.db2.gz	YWQMQYXZMYSPLV-HXUWFJFHSA-N	-1	3	375.469	1.279	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1	ZINC000095498605	571074927	/nfs/dbraw/zinc/07/49/27/571074927.db2.gz	CTWXMXHQPHKPTG-GOEBONIOSA-N	-1	3	376.420	1.616	50	0		GDAAHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1	ZINC000002171020	530531772	/nfs/dbraw/zinc/53/17/72/530531772.db2.gz	FNFLUNMASJLZRG-UHFFFAOYSA-N	-1	3	384.479	1.724	50	0		GDAAHM
O=c1cccnn1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000011856380	530554895	/nfs/dbraw/zinc/55/48/95/530554895.db2.gz	ZBMAXOZTOIARCM-UHFFFAOYSA-N	-1	3	381.763	1.894	50	0		GDAAHM
Cc1cc(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)nn1C	ZINC000012712512	530556814	/nfs/dbraw/zinc/55/68/14/530556814.db2.gz	WMPYUPGPAPVARS-CYBMUJFWSA-N	-1	3	382.511	1.621	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)O[C@@H]1CCOC1=O	ZINC000021971369	530571451	/nfs/dbraw/zinc/57/14/51/530571451.db2.gz	UOWHMPVVCQBGCZ-SNVBAGLBSA-N	-1	3	382.221	1.521	50	0		GDAAHM
CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000079112614	530808028	/nfs/dbraw/zinc/80/80/28/530808028.db2.gz	PDUORZHTJSMONX-MRVPVSSYSA-N	-1	3	376.818	1.148	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCN(C(=O)N(C)C)CC1	ZINC000390828865	532297931	/nfs/dbraw/zinc/29/79/31/532297931.db2.gz	BZNHFHNUJVKNAG-UHFFFAOYSA-N	-1	3	389.499	1.207	50	0		GDAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O	ZINC000003518333	204011144	/nfs/dbraw/zinc/01/11/44/204011144.db2.gz	QCIQAPYNNGZMNJ-OAQYLSRUSA-N	-1	3	395.415	1.949	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O	ZINC000003518333	204011148	/nfs/dbraw/zinc/01/11/48/204011148.db2.gz	QCIQAPYNNGZMNJ-OAQYLSRUSA-N	-1	3	395.415	1.949	50	0		GDAAHM
COc1ccc(C)cc1NC(=O)CC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000003665272	204017839	/nfs/dbraw/zinc/01/78/39/204017839.db2.gz	PDMLLNQYMCCSSC-UHFFFAOYSA-N	-1	3	390.421	1.847	50	0		GDAAHM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cccc(CCc2ccccn2)c1	ZINC000004709090	204066618	/nfs/dbraw/zinc/06/66/18/204066618.db2.gz	ZRWMUJVZGIRTQY-UHFFFAOYSA-N	-1	3	386.433	1.353	50	0		GDAAHM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1	ZINC000004742100	204072554	/nfs/dbraw/zinc/07/25/54/204072554.db2.gz	FRWXEMPFWDZKOP-UHFFFAOYSA-N	-1	3	378.450	1.937	50	0		GDAAHM
O=c1cc(CO)oc(C(c2ccc(F)cc2)c2oc(CO)cc(=O)c2O)c1[O-]	ZINC000004932059	204093330	/nfs/dbraw/zinc/09/33/30/204093330.db2.gz	FXDRHHPJAYNQJK-UHFFFAOYSA-N	-1	3	390.319	1.308	50	0	biogenic	GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cccnc1	ZINC000004937861	204093614	/nfs/dbraw/zinc/09/36/14/204093614.db2.gz	AFTXEVPJIKRNDJ-NSHDSACASA-N	-1	3	383.857	1.727	50	0		GDAAHM
O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)N1CCOCC1	ZINC000006453101	204178452	/nfs/dbraw/zinc/17/84/52/204178452.db2.gz	BRXMCGXWYCGTHN-UHFFFAOYSA-N	-1	3	399.270	1.891	50	0		GDAAHM
O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)N1CCOCC1	ZINC000006453101	204178456	/nfs/dbraw/zinc/17/84/56/204178456.db2.gz	BRXMCGXWYCGTHN-UHFFFAOYSA-N	-1	3	399.270	1.891	50	0		GDAAHM
Cc1nn(Cn2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)n2)c(C)c1Cl	ZINC000006921041	204225486	/nfs/dbraw/zinc/22/54/86/204225486.db2.gz	QNYMTUKOCQKJFL-ZDUSSCGKSA-N	-1	3	390.753	1.938	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	ZINC000011547958	204346311	/nfs/dbraw/zinc/34/63/11/204346311.db2.gz	ORZKVRMPCHFBSH-UHFFFAOYSA-N	-1	3	375.356	1.930	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2	ZINC000011547958	204346314	/nfs/dbraw/zinc/34/63/14/204346314.db2.gz	ORZKVRMPCHFBSH-UHFFFAOYSA-N	-1	3	375.356	1.930	50	0		GDAAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3nnc(C(N)=O)n3)cc2)c(C)c1	ZINC000070999651	205024915	/nfs/dbraw/zinc/02/49/15/205024915.db2.gz	UUBKWYDNSZQBBT-UHFFFAOYSA-N	-1	3	386.437	1.487	50	0		GDAAHM
C[C@H](c1ccncn1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067688697	205253828	/nfs/dbraw/zinc/25/38/28/205253828.db2.gz	YADPLOFYEMLUMF-SECBINFHSA-N	-1	3	382.467	1.264	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)CN1CCCN(c2ncccn2)CC1	ZINC000071285388	205281363	/nfs/dbraw/zinc/28/13/63/205281363.db2.gz	DHHHBSNMKGZVBJ-OAHLLOKOSA-N	-1	3	399.451	1.424	50	0		GDAAHM
CC(C)[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCC(=O)N1Cc1ccc(F)cc1	ZINC000071761093	205293443	/nfs/dbraw/zinc/29/34/43/205293443.db2.gz	GXLXASZOEXZRHD-KRWDZBQOSA-N	-1	3	386.427	1.808	50	0		GDAAHM
O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1cccc(OCCN2CCOCC2)c1	ZINC000072463420	205354210	/nfs/dbraw/zinc/35/42/10/205354210.db2.gz	CADHHKUHJRZVAT-IBGZPJMESA-N	-1	3	386.452	1.305	50	0		GDAAHM
Cc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc(-n2cccn2)n1	ZINC000082230418	205390365	/nfs/dbraw/zinc/39/03/65/205390365.db2.gz	MPXVWIYCINUMEX-UHFFFAOYSA-N	-1	3	394.407	1.639	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091410525	205413792	/nfs/dbraw/zinc/41/37/92/205413792.db2.gz	FTAOCSBPWIHPJG-AEFFLSMTSA-N	-1	3	399.495	1.277	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)on1	ZINC000014153478	205894913	/nfs/dbraw/zinc/89/49/13/205894913.db2.gz	PEWYVWRQKIILAU-GFCCVEGCSA-N	-1	3	393.421	1.707	50	0		GDAAHM
CC(C)c1ccc(N2CCC([C@]3(c4ccccn4)NC(=O)[N-]C3=O)CC2)nn1	ZINC000067688341	136164721	/nfs/dbraw/zinc/16/47/21/136164721.db2.gz	WDNYQBHBDKMLIZ-HXUWFJFHSA-N	-1	3	380.452	1.946	50	0		GDAAHM
Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCN(c4ccccc4O)CC3)co2)no1	ZINC000090583076	136175910	/nfs/dbraw/zinc/17/59/10/136175910.db2.gz	ROTIEVRGFOTPPV-UHFFFAOYSA-N	-1	3	397.391	1.891	50	0		GDAAHM
Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000071315196	222180800	/nfs/dbraw/zinc/18/08/00/222180800.db2.gz	UBNOZGCWNSLKDR-UHFFFAOYSA-N	-1	3	379.420	1.782	50	0		GDAAHM
Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3c[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000071315196	222180804	/nfs/dbraw/zinc/18/08/04/222180804.db2.gz	UBNOZGCWNSLKDR-UHFFFAOYSA-N	-1	3	379.420	1.782	50	0		GDAAHM
COc1cc(C)c(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cc1C	ZINC000096141472	570213192	/nfs/dbraw/zinc/21/31/92/570213192.db2.gz	JXUGBGISJFJENK-CRAIPNDOSA-N	-1	3	382.482	1.090	50	0		GDAAHM
O=C(NCCCN1CCOCC1)C(=C([O-])c1ccccc1)n1ccccc1=O	ZINC000019907231	570228791	/nfs/dbraw/zinc/22/87/91/570228791.db2.gz	TXYILHDEICKJMM-LJQANCHMSA-N	-1	3	383.448	1.111	50	0		GDAAHM
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000011647035	570246136	/nfs/dbraw/zinc/24/61/36/570246136.db2.gz	IRFMXZHGOGLZRL-INIZCTEOSA-N	-1	3	376.434	1.572	50	0		GDAAHM
COC[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1	ZINC000215243329	570286504	/nfs/dbraw/zinc/28/65/04/570286504.db2.gz	PJVABKHQTKHEQL-QGZVFWFLSA-N	-1	3	375.450	1.594	50	0		GDAAHM
C[C@]1(c2ccco2)NC(=O)N([N-]C(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O	ZINC000021554350	570292313	/nfs/dbraw/zinc/29/23/13/570292313.db2.gz	XOQGAJQVCOUUEK-QGZVFWFLSA-N	-1	3	391.767	1.816	50	0		GDAAHM
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ncccc1[O-]	ZINC000022265277	570311625	/nfs/dbraw/zinc/31/16/25/570311625.db2.gz	SQMUMIUECQPIMY-UHFFFAOYSA-N	-1	3	375.450	1.973	50	0		GDAAHM
O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(S[C@H]3CCCCNC3=O)c12	ZINC000022419315	570316617	/nfs/dbraw/zinc/31/66/17/570316617.db2.gz	KWXOGAMFHMTZPC-NSHDSACASA-N	-1	3	387.465	1.453	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)Cc2cc(F)cc(F)c2)nc(N2CCCC2)n1	ZINC000575608740	570332322	/nfs/dbraw/zinc/33/23/22/570332322.db2.gz	YAUSPHGFZFOJDS-UHFFFAOYSA-N	-1	3	399.423	1.378	50	0		GDAAHM
CN(CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000219193077	570349264	/nfs/dbraw/zinc/34/92/64/570349264.db2.gz	WTRSJYDEBYKYFP-QZTJIDSGSA-N	-1	3	376.453	1.912	50	0		GDAAHM
COCc1cc(=O)[n-]c(-c2cccc(CN3CCC[C@@H](CNC(C)=O)C3)c2)n1	ZINC000023231511	570351136	/nfs/dbraw/zinc/35/11/36/570351136.db2.gz	VEGUXOAKNIQYCQ-KRWDZBQOSA-N	-1	3	384.480	1.931	50	0		GDAAHM
Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(-n3cncn3)cc2)c(F)c1	ZINC000072289729	570481246	/nfs/dbraw/zinc/48/12/46/570481246.db2.gz	KGPXCJCFKLQIBK-UHFFFAOYSA-N	-1	3	389.412	1.632	50	0		GDAAHM
Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000036235680	570561830	/nfs/dbraw/zinc/56/18/30/570561830.db2.gz	VUOCUSXHHDKWQJ-UHFFFAOYSA-N	-1	3	383.500	1.523	50	0		GDAAHM
O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1ccncc1	ZINC000036383635	570564522	/nfs/dbraw/zinc/56/45/22/570564522.db2.gz	GOAVBTHFWQVVQW-OAHLLOKOSA-N	-1	3	379.298	1.421	50	0		GDAAHM
Cn1c(SCC(=O)Nc2c(F)c(F)cc(F)c2F)nc2c1nc[n-]c2=O	ZINC000012427842	570674102	/nfs/dbraw/zinc/67/41/02/570674102.db2.gz	OBPWTQKGJARLQN-UHFFFAOYSA-N	-1	3	387.318	1.944	50	0		GDAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC[C@@H]1CCCO1	ZINC000019079743	570731340	/nfs/dbraw/zinc/73/13/40/570731340.db2.gz	OKDGHOMYNKMWLF-FZMZJTMJSA-N	-1	3	398.510	1.289	50	0		GDAAHM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cccc(NC(C)=O)c3)C2=O)c1	ZINC000014108477	570822706	/nfs/dbraw/zinc/82/27/06/570822706.db2.gz	OSOKLKWDTOITRG-FQEVSTJZSA-N	-1	3	396.403	1.766	50	0		GDAAHM
CC1(C)Cc2c(sc3[nH]c(=O)n(NC(=O)c4ccccc4[O-])c(=O)c23)CO1	ZINC000017113111	570941825	/nfs/dbraw/zinc/94/18/25/570941825.db2.gz	GMYPPURUOGHDBR-UHFFFAOYSA-N	-1	3	387.417	1.692	50	0		GDAAHM
CCCCn1c(=O)[nH]c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O	ZINC000002137223	570962546	/nfs/dbraw/zinc/96/25/46/570962546.db2.gz	ZLTABAKTWJBMLG-MRXNPFEDSA-N	-1	3	375.425	1.295	50	0	biogenic	GDAAHM
CCCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=O	ZINC000002137223	570962548	/nfs/dbraw/zinc/96/25/48/570962548.db2.gz	ZLTABAKTWJBMLG-MRXNPFEDSA-N	-1	3	375.425	1.295	50	0	biogenic	GDAAHM
COC(=O)c1cccc2nc(NC(=O)Cn3c(=O)cnc4ccccc43)[n-]c21	ZINC000083897452	570977107	/nfs/dbraw/zinc/97/71/07/570977107.db2.gz	YSIVQLZTEXRUSI-UHFFFAOYSA-N	-1	3	377.360	1.120	50	0		GDAAHM
COC(=O)c1cccc2[n-]c(NC(=O)Cn3c(=O)cnc4ccccc43)nc21	ZINC000083897452	570977109	/nfs/dbraw/zinc/97/71/09/570977109.db2.gz	YSIVQLZTEXRUSI-UHFFFAOYSA-N	-1	3	377.360	1.120	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(C=Cc3ccccc3Br)c(=O)[n-]c21	ZINC000585152452	570985653	/nfs/dbraw/zinc/98/56/53/570985653.db2.gz	HAUCLOIZNXJNBH-VOTSOKGWSA-N	-1	3	375.182	1.655	50	0		GDAAHM
COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc3n[n-]nc3c1)CC2	ZINC000091574451	571015050	/nfs/dbraw/zinc/01/50/50/571015050.db2.gz	RGECDBUZMPSMQJ-UHFFFAOYSA-N	-1	3	385.468	1.839	50	0		GDAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)c1ccc(-c2cc[nH]n2)cc1	ZINC000095363871	571057137	/nfs/dbraw/zinc/05/71/37/571057137.db2.gz	FLVOVXKWNHAOOS-UHFFFAOYSA-N	-1	3	375.388	1.922	50	0		GDAAHM
COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1	ZINC000095370214	571060677	/nfs/dbraw/zinc/06/06/77/571060677.db2.gz	CMYSAOSLKHKVJJ-MRXNPFEDSA-N	-1	3	384.436	1.641	50	0		GDAAHM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(I)cc1)CC(=O)N2	ZINC000585655776	652084451	/nfs/dbraw/zinc/08/44/51/652084451.db2.gz	HTHDDTBLNFPGND-MRVPVSSYSA-N	-1	3	382.161	1.843	50	0		GDAAHM
Nc1cc(=O)[n-]c(CCNC(=O)N2CCC(Oc3ccccc3F)CC2)n1	ZINC000426739020	231256410	/nfs/dbraw/zinc/25/64/10/231256410.db2.gz	IPWVBAVTAFVSKO-UHFFFAOYSA-N	-1	3	375.404	1.699	50	0		GDAAHM
Cn1c2ccccc2nc1C1CCN(C(=O)NCCc2nc(N)cc(=O)[n-]2)CC1	ZINC000426737535	231256820	/nfs/dbraw/zinc/25/68/20/231256820.db2.gz	RFRGVJNJYLSOGY-UHFFFAOYSA-N	-1	3	395.467	1.783	50	0		GDAAHM
CCOc1cc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc(Br)c1[O-]	ZINC000008609948	530549910	/nfs/dbraw/zinc/54/99/10/530549910.db2.gz	BOEYMROYXJPRBS-LBPRGKRZSA-N	-1	3	394.229	1.919	50	0		GDAAHM
O=C([N-]c1nncs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000000707332	530531408	/nfs/dbraw/zinc/53/14/08/530531408.db2.gz	RDSQUXOYKMVMBO-UHFFFAOYSA-N	-1	3	388.858	1.465	50	0		GDAAHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)s1	ZINC000023330664	530575061	/nfs/dbraw/zinc/57/50/61/530575061.db2.gz	YRFPZRUDHVUGDN-UHFFFAOYSA-N	-1	3	382.463	1.634	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCC[C@@H]1C	ZINC000170604007	530585882	/nfs/dbraw/zinc/58/58/82/530585882.db2.gz	SJJCXVXUERJDQT-NWDGAFQWSA-N	-1	3	388.511	1.911	50	0		GDAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000056066602	530714696	/nfs/dbraw/zinc/71/46/96/530714696.db2.gz	GQDWHUONAKXRLQ-UHFFFAOYSA-N	-1	3	375.248	1.548	50	0		GDAAHM
CCn1ccnc1[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000091536999	530809251	/nfs/dbraw/zinc/80/92/51/530809251.db2.gz	USGMGTKCPJEAAC-ZDUSSCGKSA-N	-1	3	382.511	1.649	50	0		GDAAHM
CCCNC(=O)CN1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1	ZINC000096865439	530819120	/nfs/dbraw/zinc/81/91/20/530819120.db2.gz	NIPBECUEGQCYSA-UHFFFAOYSA-N	-1	3	380.543	1.397	50	0		GDAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)c1ccc2c(c1)CCC2	ZINC000004278092	204035206	/nfs/dbraw/zinc/03/52/06/204035206.db2.gz	SEEQAIVDMLKHQD-ZDUSSCGKSA-N	-1	3	392.411	1.993	50	0		GDAAHM
CC(C)CN1C(=O)c2ccc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)cc2C1=O	ZINC000004525200	204050576	/nfs/dbraw/zinc/05/05/76/204050576.db2.gz	CACKEAVCHBWQDN-UHFFFAOYSA-N	-1	3	391.383	1.880	50	0		GDAAHM
CCN(C(=O)CSc1n[n-]c(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1	ZINC000006144839	204168753	/nfs/dbraw/zinc/16/87/53/204168753.db2.gz	JORZOQWUAJPZMZ-SNVBAGLBSA-N	-1	3	386.524	1.661	50	0		GDAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)CCC2	ZINC000006315952	204174129	/nfs/dbraw/zinc/17/41/29/204174129.db2.gz	AOGXLRJTKKOVBE-UHFFFAOYSA-N	-1	3	393.399	1.360	50	0		GDAAHM
COc1cc(C(=O)[O-])ccc1OC[C@H](O)CNCc1ccc2c(c1)OCO2	ZINC000008850814	204291622	/nfs/dbraw/zinc/29/16/22/204291622.db2.gz	IFHKCPWDUIBOTK-CQSZACIVSA-N	-1	3	375.377	1.652	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@H]1CCCO1	ZINC000009226262	204302719	/nfs/dbraw/zinc/30/27/19/204302719.db2.gz	FUDPOUCHEIXAFD-ZYHUDNBSSA-N	-1	3	376.862	1.311	50	0		GDAAHM
O=S(=O)([N-][C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl	ZINC000037383149	205026399	/nfs/dbraw/zinc/02/63/99/205026399.db2.gz	NKUXADSQFFTSDN-MRVPVSSYSA-N	-1	3	388.692	1.568	50	0		GDAAHM
COc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c([O-])c1	ZINC000040060401	205048855	/nfs/dbraw/zinc/04/88/55/205048855.db2.gz	FJASWITVJIMQFA-HNNXBMFYSA-N	-1	3	375.469	1.560	50	0		GDAAHM
O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1CCOc2ccccc21	ZINC000040122811	205055320	/nfs/dbraw/zinc/05/53/20/205055320.db2.gz	FNSSYJQSJADWCV-KRWDZBQOSA-N	-1	3	377.400	1.898	50	0		GDAAHM
O=c1[n-]nc(SC[C@@H]2CNC(c3ccccc3)=NO2)n1C[C@H]1CCCO1	ZINC000057745313	205161144	/nfs/dbraw/zinc/16/11/44/205161144.db2.gz	SAADLTCZHNGBPT-KGLIPLIRSA-N	-1	3	375.454	1.193	50	0		GDAAHM
Cc1nccn1-c1cc(NCC[N-]S(=O)(=O)c2ccccc2F)nc(C)n1	ZINC000065361947	205230761	/nfs/dbraw/zinc/23/07/61/205230761.db2.gz	AJULOJZBRRZALQ-UHFFFAOYSA-N	-1	3	390.444	1.809	50	0		GDAAHM
Cc1cnn(Cc2ccccc2Cl)c1NC(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000065375896	205231712	/nfs/dbraw/zinc/23/17/12/205231712.db2.gz	GYAXXVLOYZIMES-ZDUSSCGKSA-N	-1	3	375.816	1.820	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NCc1ccc3c(c1)OCO3)CNCC2	ZINC000067640938	205252113	/nfs/dbraw/zinc/25/21/13/205252113.db2.gz	MQMXATHDJFNQNI-UHFFFAOYSA-N	-1	3	396.446	1.299	50	0		GDAAHM
CC(C)Cc1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)[n-]c(=O)n1	ZINC000067724468	205256094	/nfs/dbraw/zinc/25/60/94/205256094.db2.gz	PRWPNPUQFVOGKX-UHFFFAOYSA-N	-1	3	384.484	1.045	50	0		GDAAHM
CCN(Cc1cccnc1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067771708	205258885	/nfs/dbraw/zinc/25/88/85/205258885.db2.gz	OSFRABWRRIEPKG-UHFFFAOYSA-N	-1	3	381.479	1.698	50	0		GDAAHM
O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc(=O)c2ccccc2[n-]1	ZINC000067842236	205262703	/nfs/dbraw/zinc/26/27/03/205262703.db2.gz	HZPBCOFYBUGCGH-HNNXBMFYSA-N	-1	3	378.432	1.814	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1	ZINC000067515479	205247977	/nfs/dbraw/zinc/24/79/77/205247977.db2.gz	WPBNDDDWOBIBOU-HNNXBMFYSA-N	-1	3	393.447	1.326	50	0		GDAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)C2	ZINC000071747692	205289609	/nfs/dbraw/zinc/28/96/09/205289609.db2.gz	QOYXSJZXCMMORR-UHFFFAOYSA-N	-1	3	380.408	1.130	50	0		GDAAHM
CCOC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CO)cc(=O)c1[O-]	ZINC000072324675	205324197	/nfs/dbraw/zinc/32/41/97/205324197.db2.gz	NNXPKDALTADKCJ-GFCCVEGCSA-N	-1	3	394.376	1.646	50	0	biogenic	GDAAHM
O=C([O-])[C@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(Cc2cccnc2)CC1	ZINC000072405789	205345633	/nfs/dbraw/zinc/34/56/33/205345633.db2.gz	MOYQUNMQISLNPI-QGZVFWFLSA-N	-1	3	398.463	1.634	50	0		GDAAHM
Cn1ncc2c1nc(CN1CCC3(CC1)Nc1ccccc1NC3=O)[n-]c2=O	ZINC000082097509	205385233	/nfs/dbraw/zinc/38/52/33/205385233.db2.gz	VXUCVDGUPUNUKQ-UHFFFAOYSA-N	-1	3	379.424	1.468	50	0		GDAAHM
COC1(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)Cc2ccccc2C1	ZINC000225721868	206069898	/nfs/dbraw/zinc/06/98/98/206069898.db2.gz	YEZNQSSNTXPFIR-UHFFFAOYSA-N	-1	3	381.479	1.564	50	0		GDAAHM
C[C@H](CCCO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F	ZINC000225550956	206057832	/nfs/dbraw/zinc/05/78/32/206057832.db2.gz	UURQMDNNDJYPEL-SECBINFHSA-N	-1	3	375.390	1.419	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CC2CCN(C(=O)c3ccccc3F)CC2)c1	ZINC000096025898	206113740	/nfs/dbraw/zinc/11/37/40/206113740.db2.gz	MTNGQJHVKALEAH-UHFFFAOYSA-N	-1	3	380.445	1.390	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCS[C@@H]2COCC[C@H]21	ZINC000242156006	206129864	/nfs/dbraw/zinc/12/98/64/206129864.db2.gz	WVADLPGBKCEJQJ-UKRRQHHQSA-N	-1	3	391.424	1.220	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCS[C@@H]2COCC[C@H]21	ZINC000242156006	206129867	/nfs/dbraw/zinc/12/98/67/206129867.db2.gz	WVADLPGBKCEJQJ-UKRRQHHQSA-N	-1	3	391.424	1.220	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1	ZINC000253535595	206149780	/nfs/dbraw/zinc/14/97/80/206149780.db2.gz	HRCGMACGBVMSHH-HNJNHCNJSA-N	-1	3	380.404	1.607	50	0		GDAAHM
Cc1nc(N(C)C)nc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)c1C	ZINC000091551397	136176676	/nfs/dbraw/zinc/17/66/76/136176676.db2.gz	WWHXXKQHDBTBBC-SJORKVTESA-N	-1	3	391.516	1.551	50	0		GDAAHM
CCN1CCCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)CC1	ZINC000096161601	136184724	/nfs/dbraw/zinc/18/47/24/136184724.db2.gz	BQBUHJHDEJMDIJ-UHFFFAOYSA-N	-1	3	377.489	1.207	50	0		GDAAHM
CCCCc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cc1	ZINC000096137466	570212232	/nfs/dbraw/zinc/21/22/32/570212232.db2.gz	APKMFEQCWAZBMY-IEBWSBKVSA-N	-1	3	380.510	1.807	50	0		GDAAHM
O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1	ZINC000097784774	570256097	/nfs/dbraw/zinc/25/60/97/570256097.db2.gz	CWBUHKXESAMYBW-CYBMUJFWSA-N	-1	3	379.420	1.345	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CN(C)CC2	ZINC000023609483	570366852	/nfs/dbraw/zinc/36/68/52/570366852.db2.gz	ZDBUHVNNWRHQHJ-JTQLQIEISA-N	-1	3	398.485	1.576	50	0		GDAAHM
Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NN3CC(=O)[N-]C3=O)cc12	ZINC000013016886	570418546	/nfs/dbraw/zinc/41/85/46/570418546.db2.gz	PZGCIKISDCEUDV-UHFFFAOYSA-N	-1	3	383.433	1.960	50	0		GDAAHM
Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)N(C)[C@H]1CCc2ccccc21	ZINC000030562063	570491446	/nfs/dbraw/zinc/49/14/46/570491446.db2.gz	WJQGZRGVIHUDEL-INIZCTEOSA-N	-1	3	380.448	1.942	50	0		GDAAHM
COc1ccc(COC(=O)CC[N-]S(=O)(=O)c2c(C)noc2C)cc1F	ZINC000032776482	570798399	/nfs/dbraw/zinc/79/83/99/570798399.db2.gz	LXETZDJDCNNJRQ-UHFFFAOYSA-N	-1	3	386.401	1.851	50	0		GDAAHM
COc1ccc(C2=NOC3=C([O-])N(c4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1OC	ZINC000102553393	570854097	/nfs/dbraw/zinc/85/40/97/570854097.db2.gz	KBYHOWUYOATSFP-SJLPKXTDSA-N	-1	3	396.355	1.725	50	0		GDAAHM
Cc1oc(CO)cc1C(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000032850623	570856939	/nfs/dbraw/zinc/85/69/39/570856939.db2.gz	AJFSTZFRWNTERJ-NSHDSACASA-N	-1	3	381.406	1.880	50	0		GDAAHM
O=C([O-])[C@@H]1CCCN(C2CCN(CCS(=O)(=O)c3ccccc3)CC2)C1	ZINC000534660591	570915511	/nfs/dbraw/zinc/91/55/11/570915511.db2.gz	YQDNSXVTSUKLPO-MRXNPFEDSA-N	-1	3	380.510	1.721	50	0		GDAAHM
CN1CCN(C(=O)Oc2c3[n-]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1	ZINC000019632834	571022231	/nfs/dbraw/zinc/02/22/31/571022231.db2.gz	GBBSUAFBMRNDJC-INIZCTEOSA-N	-1	3	388.815	1.568	50	0	fda	GDAAHM
Cc1sc2nc(SCC(=O)NCCCN3CCOCC3)[n-]c(=O)c2c1C	ZINC000019706785	571032790	/nfs/dbraw/zinc/03/27/90/571032790.db2.gz	WGEPXXMQVZHUMR-UHFFFAOYSA-N	-1	3	396.538	1.532	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)no1	ZINC000095354559	571051595	/nfs/dbraw/zinc/05/15/95/571051595.db2.gz	QWTPBFHQRTYOMV-OAHLLOKOSA-N	-1	3	379.438	1.370	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2nccn2Cc2ccccc2)CC1	ZINC000095501292	571076401	/nfs/dbraw/zinc/07/64/01/571076401.db2.gz	NLLUMBLMUYFWKB-INIZCTEOSA-N	-1	3	381.436	1.236	50	0		GDAAHM
CSCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1	ZINC000002457008	530531777	/nfs/dbraw/zinc/53/17/77/530531777.db2.gz	CCVZEWORUFLNIM-UHFFFAOYSA-N	-1	3	382.467	1.969	50	0		GDAAHM
COc1cc(CN2CCC(C(N)=O)CC2)cc(I)c1[O-]	ZINC000023282157	530574923	/nfs/dbraw/zinc/57/49/23/530574923.db2.gz	FFEBPUFMJFXODP-UHFFFAOYSA-N	-1	3	390.221	1.703	50	0		GDAAHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)s1	ZINC000032550088	530607653	/nfs/dbraw/zinc/60/76/53/530607653.db2.gz	MCUNLQFFAKLREX-LBPRGKRZSA-N	-1	3	382.463	1.503	50	0		GDAAHM
Cc1ccc(CCC(=O)NCc2cccnc2[N-]S(N)(=O)=O)cc1Cl	ZINC000032809653	530609958	/nfs/dbraw/zinc/60/99/58/530609958.db2.gz	JSZXMIVQOACMRN-UHFFFAOYSA-N	-1	3	382.873	1.908	50	0		GDAAHM
O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000072290654	530805623	/nfs/dbraw/zinc/80/56/23/530805623.db2.gz	IWPWWWRAGDFTIU-XHBSWPGZSA-N	-1	3	378.226	1.363	50	0		GDAAHM
C[C@@H]1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C[C@@H](C)O1	ZINC000006653582	204189695	/nfs/dbraw/zinc/18/96/95/204189695.db2.gz	WIAMUSPYOUGBOR-CHWSQXEVSA-N	-1	3	399.476	1.837	50	0		GDAAHM
O=C(CSc1n[n-]c(-c2cccs2)n1)N1CCN(c2ncccn2)CC1	ZINC000008326220	204272034	/nfs/dbraw/zinc/27/20/34/204272034.db2.gz	MGUQZICJBPFXQD-UHFFFAOYSA-N	-1	3	387.494	1.764	50	0		GDAAHM
O=S(=O)([N-]C1CCN(c2nnnn2-c2ccccc2)CC1)c1cccs1	ZINC000010044559	204329498	/nfs/dbraw/zinc/32/94/98/204329498.db2.gz	FGNAKKLQJDEZEW-UHFFFAOYSA-N	-1	3	390.494	1.671	50	0		GDAAHM
O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000011904486	204361112	/nfs/dbraw/zinc/36/11/12/204361112.db2.gz	KQLACTAGLJSLGD-UHFFFAOYSA-N	-1	3	384.410	1.693	50	0		GDAAHM
CCN1CCN(c2ncc(-c3cc(=O)[n-]c(N4CCCCC4)n3)c(C)n2)CC1	ZINC000036235743	205009571	/nfs/dbraw/zinc/00/95/71/205009571.db2.gz	JOCHJUBIXXJUKV-UHFFFAOYSA-N	-1	3	383.500	1.668	50	0		GDAAHM
CC(C)c1n[n-]c(S(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)n1	ZINC000040152202	205060409	/nfs/dbraw/zinc/06/04/09/205060409.db2.gz	JURXGROYMDXTJB-UHFFFAOYSA-N	-1	3	391.453	1.233	50	0		GDAAHM
CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)[n-]1	ZINC000040152202	205060415	/nfs/dbraw/zinc/06/04/15/205060415.db2.gz	JURXGROYMDXTJB-UHFFFAOYSA-N	-1	3	391.453	1.233	50	0		GDAAHM
O=C(Nc1cccc(-n2cccn2)c1)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1	ZINC000045784823	205097813	/nfs/dbraw/zinc/09/78/13/205097813.db2.gz	WXMAAGLMFALGBO-UHFFFAOYSA-N	-1	3	388.387	1.858	50	0		GDAAHM
O=C(NCCNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc([O-])cc1	ZINC000048285885	205116923	/nfs/dbraw/zinc/11/69/23/205116923.db2.gz	QLYXGUTXYAMWML-UHFFFAOYSA-N	-1	3	389.843	1.596	50	0		GDAAHM
CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1cccnc1	ZINC000067773122	205258503	/nfs/dbraw/zinc/25/85/03/205258503.db2.gz	DHBFHGKYCLSDDX-LBPRGKRZSA-N	-1	3	381.479	1.917	50	0		GDAAHM
CC[C@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CCC(=O)N1Cc1ccccc1	ZINC000071415778	205283119	/nfs/dbraw/zinc/28/31/19/205283119.db2.gz	BMTMZKSBSGYKBX-SFHVURJKSA-N	-1	3	396.491	1.969	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(Cc2ccccn2)CC1	ZINC000072406073	205345282	/nfs/dbraw/zinc/34/52/82/205345282.db2.gz	NVDDTYPIYWLRLJ-MRXNPFEDSA-N	-1	3	398.463	1.634	50	0		GDAAHM
O=C(Nc1cccc(-c2nnn[n-]2)c1)C1=NN(Cc2ccccc2)C(=O)CC1	ZINC000089834773	205409058	/nfs/dbraw/zinc/40/90/58/205409058.db2.gz	SQXZJGHBCYICET-UHFFFAOYSA-N	-1	3	375.392	1.984	50	0		GDAAHM
O=C(Nc1cccc(-c2nn[n-]n2)c1)C1=NN(Cc2ccccc2)C(=O)CC1	ZINC000089834773	205409061	/nfs/dbraw/zinc/40/90/61/205409061.db2.gz	SQXZJGHBCYICET-UHFFFAOYSA-N	-1	3	375.392	1.984	50	0		GDAAHM
COc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cccn4)n3C)C2)ccc1[O-]	ZINC000244724202	206130858	/nfs/dbraw/zinc/13/08/58/206130858.db2.gz	MPSFRMBEJDMQGQ-HDJSIYSDSA-N	-1	3	382.424	1.450	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)NC1CCCC1	ZINC000012796446	221232970	/nfs/dbraw/zinc/23/29/70/221232970.db2.gz	YINMLZXXQQJVTG-NEPJUHHUSA-N	-1	3	386.445	1.483	50	0		GDAAHM
Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(NCc2ccccc2)n1	ZINC000039383763	132390981	/nfs/dbraw/zinc/39/09/81/132390981.db2.gz	JZVQMYYLTKHKKE-UHFFFAOYSA-N	-1	3	391.479	1.899	50	0		GDAAHM
Cc1nc2c(NC(=O)N3CCc4c(=O)[n-]c(CC5CC5)nc4C3)cccn2n1	ZINC000096164573	570217848	/nfs/dbraw/zinc/21/78/48/570217848.db2.gz	KITQZEIJOIGQEV-UHFFFAOYSA-N	-1	3	379.424	1.664	50	0		GDAAHM
CC(C)C(=O)N1CCN(Cc2nc3cc([N-]S(C)(=O)=O)ccc3n2C)CC1	ZINC000020622175	570272920	/nfs/dbraw/zinc/27/29/20/570272920.db2.gz	PQWLUYLDAUILBP-UHFFFAOYSA-N	-1	3	393.513	1.245	50	0		GDAAHM
O=C([N-]c1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012234409	570276312	/nfs/dbraw/zinc/27/63/12/570276312.db2.gz	NBPHPYFAFYTWGI-UHFFFAOYSA-N	-1	3	389.393	1.761	50	0		GDAAHM
CCOC(=O)c1[n-]c(=O)[nH]c1CN1CCC[C@H]1c1ccc(C(=O)NC)s1	ZINC000023337639	570354885	/nfs/dbraw/zinc/35/48/85/570354885.db2.gz	OKVNGOBWVWFYTP-NSHDSACASA-N	-1	3	378.454	1.638	50	0		GDAAHM
CCCCCC(=O)N1CCCN(c2nc(CN3CCOCC3)cc(=O)[n-]2)CC1	ZINC000035926252	570479558	/nfs/dbraw/zinc/47/95/58/570479558.db2.gz	GBBCAYRRFDTJNR-UHFFFAOYSA-N	-1	3	391.516	1.221	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21	ZINC000004315881	570625342	/nfs/dbraw/zinc/62/53/42/570625342.db2.gz	KSLGOSRLAXBKBY-UHFFFAOYSA-N	-1	3	395.371	1.815	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21	ZINC000004315881	570625345	/nfs/dbraw/zinc/62/53/45/570625345.db2.gz	KSLGOSRLAXBKBY-UHFFFAOYSA-N	-1	3	395.371	1.815	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000031618228	570818173	/nfs/dbraw/zinc/81/81/73/570818173.db2.gz	RFMFMARXNGYBST-UHFFFAOYSA-N	-1	3	391.405	1.367	50	0		GDAAHM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCO[C@H](c2ccccc2)C1	ZINC000101374935	570821439	/nfs/dbraw/zinc/82/14/39/570821439.db2.gz	RREGBMLWHVXIEC-IBGZPJMESA-N	-1	3	386.448	1.751	50	0		GDAAHM
COc1ccc(CN(C)C(=O)CC[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000014111680	570823047	/nfs/dbraw/zinc/82/30/47/570823047.db2.gz	NSDWWBCWXJVXAS-UHFFFAOYSA-N	-1	3	381.454	1.627	50	0		GDAAHM
Cc1nn2c([n-]1)nc(CN1CC[C@]3(C1)CCCN(CC1CCC1)C3=O)cc2=O	ZINC000095381172	571067769	/nfs/dbraw/zinc/06/77/69/571067769.db2.gz	FVAATQOXLHSKSF-FQEVSTJZSA-N	-1	3	384.484	1.753	50	0		GDAAHM
CO[C@@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl)[C@H]1CCOC1	ZINC000656731480	654051508	/nfs/dbraw/zinc/05/15/08/654051508.db2.gz	MGAWROIETNGANI-HZMBPMFUSA-N	-1	3	387.849	1.109	50	0		GDAAHM
CCOc1cc([C@@H]2C(C(N)=O)=C(C)Nc3ncnn32)cc(Br)c1[O-]	ZINC000008609947	530549716	/nfs/dbraw/zinc/54/97/16/530549716.db2.gz	BOEYMROYXJPRBS-GFCCVEGCSA-N	-1	3	394.229	1.919	50	0		GDAAHM
O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000005188969	530538092	/nfs/dbraw/zinc/53/80/92/530538092.db2.gz	NOUXJXAWSXQGPZ-UHFFFAOYSA-N	-1	3	378.793	1.636	50	0		GDAAHM
Cc1cc(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)nn1C	ZINC000012712507	530556387	/nfs/dbraw/zinc/55/63/87/530556387.db2.gz	WMPYUPGPAPVARS-ZDUSSCGKSA-N	-1	3	382.511	1.621	50	0		GDAAHM
O=c1[n-]c(=O)c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c[nH]1	ZINC000020365256	530569055	/nfs/dbraw/zinc/56/90/55/530569055.db2.gz	KYMKOUNNYMMXPS-UHFFFAOYSA-N	-1	3	375.738	1.457	50	0		GDAAHM
Cn1ccnc([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)c1=O	ZINC000097379457	530821000	/nfs/dbraw/zinc/82/10/00/530821000.db2.gz	IUUFVGWWXMVDHY-UHFFFAOYSA-N	-1	3	386.227	1.279	50	0		GDAAHM
CN1c2ccccc2N(CC[N-]S(=O)(=O)c2ccccc2F)S1(=O)=O	ZINC000244914820	531056498	/nfs/dbraw/zinc/05/64/98/531056498.db2.gz	BFJDVUKAHLDIGT-UHFFFAOYSA-N	-1	3	385.442	1.305	50	0		GDAAHM
COc1ccc(CCNC(=O)COC(=O)c2ccc([O-])cc2O)cc1OC	ZINC000003417840	204005566	/nfs/dbraw/zinc/00/55/66/204005566.db2.gz	VWEUXSQTKVBUNE-UHFFFAOYSA-N	-1	3	375.377	1.631	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000004734431	204070281	/nfs/dbraw/zinc/07/02/81/204070281.db2.gz	HGMNZRNZDYLNNC-UHFFFAOYSA-N	-1	3	379.507	1.765	50	0		GDAAHM
CCCCN1c2ccc(OC)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000006397553	204177481	/nfs/dbraw/zinc/17/74/81/204177481.db2.gz	HFCHZEVLNUIFAQ-GOSISDBHSA-N	-1	3	390.465	1.997	50	0		GDAAHM
CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007026495	204231536	/nfs/dbraw/zinc/23/15/36/204231536.db2.gz	VNPWSVORMDEEMG-JTQLQIEISA-N	-1	3	384.483	1.716	50	0		GDAAHM
CC(=O)Nc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000007068292	204232624	/nfs/dbraw/zinc/23/26/24/204232624.db2.gz	HVLWTQLZMIZZSB-JTQLQIEISA-N	-1	3	380.426	1.555	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1nc(-c2cccnc2)cs1	ZINC000007138561	204233451	/nfs/dbraw/zinc/23/34/51/204233451.db2.gz	QDXXAUYJUCPRIX-UHFFFAOYSA-N	-1	3	379.401	1.847	50	0		GDAAHM
CC1(C)Cc2c(sc3[nH]c(=O)n(NC(=O)c4ccc([O-])cc4)c(=O)c23)CO1	ZINC000008913895	204292523	/nfs/dbraw/zinc/29/25/23/204292523.db2.gz	JEIGITGSDFDAOJ-UHFFFAOYSA-N	-1	3	387.417	1.692	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C	ZINC000009641390	204317956	/nfs/dbraw/zinc/31/79/56/204317956.db2.gz	DCIURVSBUVMCLD-DOJUMQAQSA-N	-1	3	396.509	1.917	50	0		GDAAHM
O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000010293927	204332763	/nfs/dbraw/zinc/33/27/63/204332763.db2.gz	ODEVMZHCDULCEU-UHFFFAOYSA-N	-1	3	381.432	1.999	50	0		GDAAHM
Cc1cc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)no1	ZINC000011451395	204346116	/nfs/dbraw/zinc/34/61/16/204346116.db2.gz	YYURASFMUVBGSP-UHFFFAOYSA-N	-1	3	385.467	1.393	50	0		GDAAHM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]C3CC3)c2)o1)N1CCCCC1	ZINC000035527639	204993444	/nfs/dbraw/zinc/99/34/44/204993444.db2.gz	ALJFTUMQETUIOG-UHFFFAOYSA-N	-1	3	382.467	1.865	50	0		GDAAHM
COc1ccc(-c2cc(=O)n(CC[N-]S(=O)(=O)c3cccs3)cn2)cc1	ZINC000070637560	205022969	/nfs/dbraw/zinc/02/29/69/205022969.db2.gz	ZHDSKIOMFREBOH-UHFFFAOYSA-N	-1	3	391.474	1.959	50	0		GDAAHM
O=C([N-]n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O)c1cccnc1	ZINC000040388287	205062797	/nfs/dbraw/zinc/06/27/97/205062797.db2.gz	FBQGIDLINPOYKN-UHFFFAOYSA-N	-1	3	383.371	1.885	50	0		GDAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000299746994	205099000	/nfs/dbraw/zinc/09/90/00/205099000.db2.gz	BTMDROSMRHQBQR-KURKYZTESA-N	-1	3	387.480	1.131	50	0		GDAAHM
Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000058163008	205166390	/nfs/dbraw/zinc/16/63/90/205166390.db2.gz	AAQFTELNJYDETR-INIZCTEOSA-N	-1	3	379.420	1.185	50	0		GDAAHM
Cc1nc(NCC[N-]S(=O)(=O)c2ccccc2F)cc(-n2cccn2)n1	ZINC000065362232	205230785	/nfs/dbraw/zinc/23/07/85/205230785.db2.gz	UCUGUXGHFWPMIS-UHFFFAOYSA-N	-1	3	376.417	1.500	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NCCNc1ccccc1)CNCC2	ZINC000067884610	205267172	/nfs/dbraw/zinc/26/71/72/205267172.db2.gz	ACYDCORCPPTRAX-UHFFFAOYSA-N	-1	3	381.479	1.482	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(N)=O	ZINC000072313994	205325187	/nfs/dbraw/zinc/32/51/87/205325187.db2.gz	HTXWVMCCJFXTAU-WDEREUQCSA-N	-1	3	391.287	1.780	50	0		GDAAHM
COc1cccc(OC)c1CN1CCC2(C[C@@H](C(=O)[O-])N(C(C)=O)C2)CC1	ZINC000082135075	205388569	/nfs/dbraw/zinc/38/85/69/205388569.db2.gz	ACFUHVBDRCKSJS-INIZCTEOSA-N	-1	3	376.453	1.991	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCc1nnc(Cc2cccc(C)c2)[nH]1	ZINC000064969876	206105786	/nfs/dbraw/zinc/10/57/86/206105786.db2.gz	SVHMGFPSZYFGTD-UHFFFAOYSA-N	-1	3	375.454	1.830	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)NC1CCCC1	ZINC000012796454	221232549	/nfs/dbraw/zinc/23/25/49/221232549.db2.gz	YINMLZXXQQJVTG-RYUDHWBXSA-N	-1	3	386.445	1.483	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000072165661	136167253	/nfs/dbraw/zinc/16/72/53/136167253.db2.gz	KEEXLGZTDJRMJJ-KRWDZBQOSA-N	-1	3	385.443	1.336	50	0		GDAAHM
COc1ccc(N2CCN(C(=O)NCCc3nc(C)cc(=O)[n-]3)[C@H](C)C2=O)cc1	ZINC000426669053	534008331	/nfs/dbraw/zinc/00/83/31/534008331.db2.gz	NPHAHQXYLZVTLQ-CQSZACIVSA-N	-1	3	399.451	1.489	50	0		GDAAHM
COc1ccc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)cc1F	ZINC000096137803	570212401	/nfs/dbraw/zinc/21/24/01/570212401.db2.gz	JNQJPLZUPCNPSC-YWZLYKJASA-N	-1	3	376.428	1.979	50	0		GDAAHM
CC(=O)N1C[C@H]2CN(Cc3cc(=O)c4c(C)ccc(C)c4[nH]3)C[C@@]2(C(=O)[O-])C1	ZINC000096140506	570213256	/nfs/dbraw/zinc/21/32/56/570213256.db2.gz	DPEISFKEDSXLGI-QVKFZJNVSA-N	-1	3	383.448	1.510	50	0		GDAAHM
CS(=O)(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)ccc21	ZINC000019819389	570222408	/nfs/dbraw/zinc/22/24/08/570222408.db2.gz	QNLSCIYKZJJMAF-UHFFFAOYSA-N	-1	3	396.446	1.538	50	0		GDAAHM
CCCN1c2ccc(OC)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000002452276	570287658	/nfs/dbraw/zinc/28/76/58/570287658.db2.gz	BKQNUHSJPCFLDQ-KRWDZBQOSA-N	-1	3	376.438	1.607	50	0		GDAAHM
C[C@H](OC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)NC1CCCC1	ZINC000014254424	570304337	/nfs/dbraw/zinc/30/43/37/570304337.db2.gz	RUPTVDXOTRRYDH-LBPRGKRZSA-N	-1	3	386.445	1.485	50	0		GDAAHM
CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cn1	ZINC000575414766	570305477	/nfs/dbraw/zinc/30/54/77/570305477.db2.gz	PXHYINLUJXVOLN-UHFFFAOYSA-N	-1	3	390.425	1.390	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1cc(-c2ccoc2)cn1	ZINC000575614981	570352692	/nfs/dbraw/zinc/35/26/92/570352692.db2.gz	LNBKNQBDHFDBGR-UHFFFAOYSA-N	-1	3	381.435	1.970	50	0		GDAAHM
CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000248027491	570435662	/nfs/dbraw/zinc/43/56/62/570435662.db2.gz	MPMDCDAQKBJDMJ-KBUPBQIOSA-N	-1	3	387.546	1.215	50	0	biogenic	GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cc(C(=O)OC)ccc3C)cnc21	ZINC000029681826	570478033	/nfs/dbraw/zinc/47/80/33/570478033.db2.gz	BWFAWZJSMXFRDF-UHFFFAOYSA-N	-1	3	396.403	1.842	50	0		GDAAHM
Cc1cccc(C)c1NC(=O)CNC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000005263111	570660370	/nfs/dbraw/zinc/66/03/70/570660370.db2.gz	NVDMVRPPWNLJGL-UHFFFAOYSA-N	-1	3	380.404	1.062	50	0		GDAAHM
CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000033033015	570669977	/nfs/dbraw/zinc/66/99/77/570669977.db2.gz	BERAPHRIVPGZKQ-UHFFFAOYSA-N	-1	3	388.493	1.599	50	0		GDAAHM
CCCCn1c(=O)[n-]nc1S(=O)(=O)CC(=O)N1c2ccccc2C[C@@H]1C	ZINC000058278272	570724528	/nfs/dbraw/zinc/72/45/28/570724528.db2.gz	ZPFMVKXRVADKIP-LBPRGKRZSA-N	-1	3	378.454	1.535	50	0		GDAAHM
Cc1cccc(Cn2[n-]ccc2=NC(=O)CN2CCC(C(=O)NC(C)C)CC2)c1	ZINC000252506847	570978282	/nfs/dbraw/zinc/97/82/82/570978282.db2.gz	WPTLZYWAHFKKQM-UHFFFAOYSA-N	-1	3	397.523	1.837	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)NCc3ccccc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091645841	571022542	/nfs/dbraw/zinc/02/25/42/571022542.db2.gz	UUBNBCOVRSYEDZ-MOPGFXCFSA-N	-1	3	388.512	1.699	50	0		GDAAHM
CCOCc1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])ccc1OC	ZINC000095370187	571060907	/nfs/dbraw/zinc/06/09/07/571060907.db2.gz	PBVAVTZJYPLLAO-MRXNPFEDSA-N	-1	3	376.453	1.787	50	0		GDAAHM
Cc1nc(C2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3=O)CC2)cc(=O)[n-]1	ZINC000095526412	571091223	/nfs/dbraw/zinc/09/12/23/571091223.db2.gz	JJQLKAGBRMOXSG-QGZVFWFLSA-N	-1	3	380.448	1.837	50	0		GDAAHM
Cc1cc(C(=O)NCCn2ccc3ccccc32)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426431399	231221306	/nfs/dbraw/zinc/22/13/06/231221306.db2.gz	SWIROJIGMUMTTQ-UHFFFAOYSA-N	-1	3	377.404	1.727	50	0		GDAAHM
Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426658312	231249270	/nfs/dbraw/zinc/24/92/70/231249270.db2.gz	IQMJNXCOGUEKOL-SNVBAGLBSA-N	-1	3	378.392	1.710	50	0		GDAAHM
CCOC(=O)Cc1csc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1	ZINC000010897078	530553081	/nfs/dbraw/zinc/55/30/81/530553081.db2.gz	NZIFRWKZAKUSFP-UHFFFAOYSA-N	-1	3	383.451	1.873	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(C)nn32)cc1Cl	ZINC000015587341	530563587	/nfs/dbraw/zinc/56/35/87/530563587.db2.gz	TZTCUDCKSZMGRE-UHFFFAOYSA-N	-1	3	380.817	1.514	50	0		GDAAHM
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]CCCN3CCCC3=O)CON2C)s1	ZINC000034739354	530612083	/nfs/dbraw/zinc/61/20/83/530612083.db2.gz	JPPGCAKNCFHVEA-GOEBONIOSA-N	-1	3	387.527	1.275	50	0		GDAAHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C)cc1	ZINC000170613230	530585843	/nfs/dbraw/zinc/58/58/43/530585843.db2.gz	XWJUPOBQKBPMOT-ZFWWWQNUSA-N	-1	3	390.527	1.762	50	0		GDAAHM
COc1nnc([N-]C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)s1	ZINC000170607577	530585897	/nfs/dbraw/zinc/58/58/97/530585897.db2.gz	AMIHELYIMMXUNH-UHFFFAOYSA-N	-1	3	380.407	1.106	50	0		GDAAHM
COC(=O)c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nn1	ZINC000040153522	530619206	/nfs/dbraw/zinc/61/92/06/530619206.db2.gz	FZBPYOCYPBBLEE-UHFFFAOYSA-N	-1	3	382.467	1.272	50	0		GDAAHM
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(S(N)(=O)=O)ccc1[O-]	ZINC000004811950	204078604	/nfs/dbraw/zinc/07/86/04/204078604.db2.gz	OYDWSIMPQQBAMR-HNNXBMFYSA-N	-1	3	380.378	1.338	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004995984	204101252	/nfs/dbraw/zinc/10/12/52/204101252.db2.gz	NHWVTBNIGQQOCR-TZMCWYRMSA-N	-1	3	377.784	1.022	50	0		GDAAHM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)n(C)c(=O)c(=O)n3C)cc1	ZINC000006826304	204213172	/nfs/dbraw/zinc/21/31/72/204213172.db2.gz	NVNNJRDURWDQCG-UHFFFAOYSA-N	-1	3	393.852	2.000	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1C	ZINC000006887398	204220807	/nfs/dbraw/zinc/22/08/07/204220807.db2.gz	BHZUWNTWGBUYCF-UHFFFAOYSA-N	-1	3	387.461	1.963	50	0		GDAAHM
Cc1cc(C)n2nc(C[N-]S(=O)(=O)c3cccc4nsnc43)nc2n1	ZINC000009407351	204310481	/nfs/dbraw/zinc/31/04/81/204310481.db2.gz	CCGGTUHMNFWEAH-UHFFFAOYSA-N	-1	3	375.439	1.224	50	0		GDAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000299746993	205098746	/nfs/dbraw/zinc/09/87/46/205098746.db2.gz	BTMDROSMRHQBQR-KSZLIROESA-N	-1	3	387.480	1.131	50	0		GDAAHM
COc1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)ccc1OCC(N)=O	ZINC000059896085	205180208	/nfs/dbraw/zinc/18/02/08/205180208.db2.gz	MIIRFJQBZNDVJA-UHFFFAOYSA-N	-1	3	381.388	1.331	50	0		GDAAHM
COC(=O)c1cc([N-]C(=O)c2c(C)oc3ncn(C)c(=O)c32)cc(C(=O)OC)c1	ZINC000065329499	205231308	/nfs/dbraw/zinc/23/13/08/205231308.db2.gz	XOCLJKAHNXBSDH-UHFFFAOYSA-N	-1	3	399.359	1.660	50	0		GDAAHM
COc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1NC(=O)c1ccccc1	ZINC000065455678	205234327	/nfs/dbraw/zinc/23/43/27/205234327.db2.gz	WVQMGUMTDNXVLK-UHFFFAOYSA-N	-1	3	382.376	1.438	50	0		GDAAHM
COc1ccccc1CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067588397	205250382	/nfs/dbraw/zinc/25/03/82/205250382.db2.gz	VRFAURHMIAGQKS-UHFFFAOYSA-N	-1	3	382.463	1.579	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1	ZINC000067674002	205253913	/nfs/dbraw/zinc/25/39/13/205253913.db2.gz	BKRSOLFAVLIPNH-CYBMUJFWSA-N	-1	3	385.399	1.474	50	0		GDAAHM
CCN(Cc1ccccn1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067886522	205266041	/nfs/dbraw/zinc/26/60/41/205266041.db2.gz	GDGRARMETXBUID-UHFFFAOYSA-N	-1	3	381.479	1.698	50	0		GDAAHM
CCC[C@H](C)N1CC2(CCN(C(=O)Cc3cnc(C)[n-]c3=O)CC2)OC1=O	ZINC000072424334	205349358	/nfs/dbraw/zinc/34/93/58/205349358.db2.gz	YFCWWUOTBFKHOR-ZDUSSCGKSA-N	-1	3	376.457	1.623	50	0		GDAAHM
Cc1ccc(C(=O)N[C@H](C(=O)c2ccccc2)n2cc(F)c(=O)[n-]c2=O)cc1	ZINC000041154218	205623364	/nfs/dbraw/zinc/62/33/64/205623364.db2.gz	DXIWOSHXMVSENN-KRWDZBQOSA-N	-1	3	381.363	1.796	50	0		GDAAHM
CCn1cc(S(=O)(=O)[N-]Cc2nnc3c(C(F)(F)F)cccn23)nc1C	ZINC000225809844	206079684	/nfs/dbraw/zinc/07/96/84/206079684.db2.gz	CGTTZSQKMLFUCI-UHFFFAOYSA-N	-1	3	388.375	1.751	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccc(C(F)(F)F)n1	ZINC000096099030	206114614	/nfs/dbraw/zinc/11/46/14/206114614.db2.gz	MAGYVWNVEFDGIT-UHFFFAOYSA-N	-1	3	383.373	1.729	50	0		GDAAHM
O=c1c(CN2CCN(c3ccccc3)CC2)coc([O-])c1CN1CCOCC1	ZINC000101410631	136189661	/nfs/dbraw/zinc/18/96/61/136189661.db2.gz	LRNOHDDLAMSADS-UHFFFAOYSA-N	-1	3	385.464	1.500	50	0		GDAAHM
O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCOCC1	ZINC000101410631	136189662	/nfs/dbraw/zinc/18/96/62/136189662.db2.gz	LRNOHDDLAMSADS-UHFFFAOYSA-N	-1	3	385.464	1.500	50	0		GDAAHM
O=C1NC(c2ccccc2)=N[C@]1([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000020069788	570238507	/nfs/dbraw/zinc/23/85/07/570238507.db2.gz	IQWGQXDBNMOLSF-OAHLLOKOSA-N	-1	3	383.351	1.800	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@H](c1ccco1)N1CCCC1	ZINC000022751275	570326262	/nfs/dbraw/zinc/32/62/62/570326262.db2.gz	JGOOGFNBLIRLDD-MRXNPFEDSA-N	-1	3	382.420	1.648	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)nc(N(C)C)n1	ZINC000575607398	570330476	/nfs/dbraw/zinc/33/04/76/570330476.db2.gz	MULDTXDHCRFEQY-UHFFFAOYSA-N	-1	3	388.856	1.275	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCNc1ccc(Nc2ccccn2)nn1	ZINC000011697471	570344797	/nfs/dbraw/zinc/34/47/97/570344797.db2.gz	RHOWWXMPZRJFRX-UHFFFAOYSA-N	-1	3	389.441	1.610	50	0		GDAAHM
CCOc1ccc2c(c1)[C@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O	ZINC000000806634	570349052	/nfs/dbraw/zinc/34/90/52/570349052.db2.gz	XHYJRCFRNUALJL-KRWDZBQOSA-N	-1	3	390.421	1.134	50	0		GDAAHM
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(Cn3c([O-])coc3=O)C2)CC1	ZINC000575615860	570355683	/nfs/dbraw/zinc/35/56/83/570355683.db2.gz	IVTVXAZRWULZMA-UHFFFAOYSA-N	-1	3	395.456	1.461	50	0		GDAAHM
Cc1ccc2[n-]c(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc(=O)c2c1	ZINC000028932796	570466883	/nfs/dbraw/zinc/46/68/83/570466883.db2.gz	FRCIDVFBJXJPFE-UHFFFAOYSA-N	-1	3	396.447	1.821	50	0		GDAAHM
CCCCN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(COC)o2)cc1	ZINC000002720193	570508273	/nfs/dbraw/zinc/50/82/73/570508273.db2.gz	MCSDHAIDJMUAQU-UHFFFAOYSA-N	-1	3	382.442	1.889	50	0		GDAAHM
CC(C)[C@H](N)C(=O)NC[C@H](CC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1	ZINC000006759397	570573604	/nfs/dbraw/zinc/57/36/04/570573604.db2.gz	HEEKBVXGGKOVIT-GUYCJALGSA-N	-1	3	383.876	1.504	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000100941718	570781432	/nfs/dbraw/zinc/78/14/32/570781432.db2.gz	QIAFVDXKNZOLOR-OCCSQVGLSA-N	-1	3	377.784	1.022	50	0		GDAAHM
COc1ccccc1CC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000013733946	570783812	/nfs/dbraw/zinc/78/38/12/570783812.db2.gz	NCFHVUQZPYAHEU-UHFFFAOYSA-N	-1	3	389.415	1.976	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCc1nc2ccccc2[nH]1	ZINC000032841671	570849955	/nfs/dbraw/zinc/84/99/55/570849955.db2.gz	NPELMKXSAQVDKO-LLVKDONJSA-N	-1	3	391.453	1.193	50	0		GDAAHM
COc1ccc(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000015590847	570898548	/nfs/dbraw/zinc/89/85/48/570898548.db2.gz	ZCDFJGQGBVVRFU-UHFFFAOYSA-N	-1	3	384.404	1.958	50	0		GDAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1	ZINC000013582001	570899184	/nfs/dbraw/zinc/89/91/84/570899184.db2.gz	GKPGUMIESGEJOJ-UHFFFAOYSA-N	-1	3	385.445	1.763	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(C)nn32)c(OC)c1	ZINC000015882031	570907937	/nfs/dbraw/zinc/90/79/37/570907937.db2.gz	OUHHQSMUVYOHIC-UHFFFAOYSA-N	-1	3	376.398	1.281	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCO[C@@H](c2ccccc2)C1	ZINC000016847514	570913730	/nfs/dbraw/zinc/91/37/30/570913730.db2.gz	LKIUJPUHQMXTJY-MRXNPFEDSA-N	-1	3	396.415	1.843	50	0		GDAAHM
CCCCn1c(=O)[nH]c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O	ZINC000002137226	570962573	/nfs/dbraw/zinc/96/25/73/570962573.db2.gz	ZLTABAKTWJBMLG-INIZCTEOSA-N	-1	3	375.425	1.295	50	0	biogenic	GDAAHM
CCCCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=O	ZINC000002137226	570962576	/nfs/dbraw/zinc/96/25/76/570962576.db2.gz	ZLTABAKTWJBMLG-INIZCTEOSA-N	-1	3	375.425	1.295	50	0	biogenic	GDAAHM
COc1ccccc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(CC(=O)[O-])CC2	ZINC000091876423	571034632	/nfs/dbraw/zinc/03/46/32/571034632.db2.gz	SUKOLOFTCUQKJK-FQEVSTJZSA-N	-1	3	375.469	1.279	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)CCc3ccccn3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095389260	571071657	/nfs/dbraw/zinc/07/16/57/571071657.db2.gz	RNDLHYDQMFQTHL-MJGOQNOKSA-N	-1	3	388.512	1.344	50	0		GDAAHM
Cc1nc(C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)o1	ZINC000095520829	571086469	/nfs/dbraw/zinc/08/64/69/571086469.db2.gz	VJFDGWAYPGGOSV-CVEARBPZSA-N	-1	3	378.473	1.234	50	0		GDAAHM
CNC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc([O-])cc2F)c1	ZINC000426387362	529873674	/nfs/dbraw/zinc/87/36/74/529873674.db2.gz	YCOHSAXQXBXLQP-KRWDZBQOSA-N	-1	3	385.395	1.275	50	0		GDAAHM
O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCOCC1	ZINC000014232691	530560567	/nfs/dbraw/zinc/56/05/67/530560567.db2.gz	GYVGVPNVRDNPTA-UHFFFAOYSA-N	-1	3	379.265	1.907	50	0		GDAAHM
Cc1cc(C)n(-c2cc(NCC[N-]S(=O)(=O)c3cccs3)ncn2)n1	ZINC000035597320	530614367	/nfs/dbraw/zinc/61/43/67/530614367.db2.gz	JPIYWYNCIQMLCQ-UHFFFAOYSA-N	-1	3	378.483	1.731	50	0		GDAAHM
CN1C[C@H]2CN(S(=O)(=O)Cc3cc(F)ccc3Cl)C[C@@]2(C(=O)[O-])C1	ZINC000096153073	530818361	/nfs/dbraw/zinc/81/83/61/530818361.db2.gz	FSIANWONHKJPAL-NHYWBVRUSA-N	-1	3	376.837	1.257	50	0		GDAAHM
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(S(N)(=O)=O)ccc1[O-]	ZINC000004811952	204077996	/nfs/dbraw/zinc/07/79/96/204077996.db2.gz	OYDWSIMPQQBAMR-OAHLLOKOSA-N	-1	3	380.378	1.338	50	0		GDAAHM
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])NC1CCCC1	ZINC000006593532	204186552	/nfs/dbraw/zinc/18/65/52/204186552.db2.gz	AGKOGRIDQIWNJF-UHFFFAOYSA-N	-1	3	396.465	1.392	50	0		GDAAHM
COc1ccc(OC)c([C@@H](C)NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000008134260	204262845	/nfs/dbraw/zinc/26/28/45/204262845.db2.gz	COGHLRVJBMSLPR-GFCCVEGCSA-N	-1	3	383.404	1.584	50	0		GDAAHM
O=S(=O)([N-]C[C@H]1CCCO1)c1c2nonc2ccc1NC[C@H]1CCCO1	ZINC000035606314	204994059	/nfs/dbraw/zinc/99/40/59/204994059.db2.gz	OFNQGNQQCAFOSZ-VXGBXAGGSA-N	-1	3	382.442	1.271	50	0		GDAAHM
CN1CCN(C(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@H](c2ccccc2)C1	ZINC000048290596	205117564	/nfs/dbraw/zinc/11/75/64/205117564.db2.gz	KVMDKVOOKMMMHK-SFHVURJKSA-N	-1	3	378.432	1.617	50	0		GDAAHM
COc1cc(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)ccc1O	ZINC000048356180	205120922	/nfs/dbraw/zinc/12/09/22/205120922.db2.gz	FCTIEICCSMVGGA-UHFFFAOYSA-N	-1	3	381.388	1.289	50	0		GDAAHM
CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c1	ZINC000048356549	205121410	/nfs/dbraw/zinc/12/14/10/205121410.db2.gz	CSBHSJMXONTHOX-UHFFFAOYSA-N	-1	3	392.415	1.533	50	0		GDAAHM
O=C([O-])c1cn(CCCN(CCO)CCO)cc(Oc2ccccc2)c1=O	ZINC000055309358	205147981	/nfs/dbraw/zinc/14/79/81/205147981.db2.gz	HDSVJNJLVPHEQI-UHFFFAOYSA-N	-1	3	376.409	1.016	50	0		GDAAHM
COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21	ZINC000064818682	205196957	/nfs/dbraw/zinc/19/69/57/205196957.db2.gz	RTNJJPCJWSMVNA-UHFFFAOYSA-N	-1	3	380.353	1.707	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)N[C@@H](CO)c1ccccc1)CNCC2	ZINC000067689181	205255121	/nfs/dbraw/zinc/25/51/21/205255121.db2.gz	ZAGSRQHBBXIOQY-LBPRGKRZSA-N	-1	3	382.463	1.104	50	0		GDAAHM
CCN(CCN1CCCC1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067816996	205262148	/nfs/dbraw/zinc/26/21/48/205262148.db2.gz	LCPTZXNANBXZPM-UHFFFAOYSA-N	-1	3	387.527	1.198	50	0		GDAAHM
CCOC(=O)C[C@@H](c1cccc(OC)c1OC)c1oc(CO)cc(=O)c1[O-]	ZINC000071279298	205279125	/nfs/dbraw/zinc/27/91/25/205279125.db2.gz	MRTYDKLHQTUJHE-ZDUSSCGKSA-N	-1	3	378.377	1.940	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2cccnc2)CC1	ZINC000071283866	205279626	/nfs/dbraw/zinc/27/96/26/205279626.db2.gz	UDFVPEBPMWIFAF-SFHVURJKSA-N	-1	3	382.464	1.929	50	0		GDAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1	ZINC000071278621	205279702	/nfs/dbraw/zinc/27/97/02/205279702.db2.gz	XOCGMYASGINPIE-UHFFFAOYSA-N	-1	3	379.420	1.809	50	0		GDAAHM
COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)C[C@H](C(=O)[O-])C1	ZINC000072130682	205307539	/nfs/dbraw/zinc/30/75/39/205307539.db2.gz	GEEPYIKPTGUUBH-MSOLQXFVSA-N	-1	3	383.448	1.929	50	0		GDAAHM
O=c1[n-]cnc2c1CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2	ZINC000072167716	205314939	/nfs/dbraw/zinc/31/49/39/205314939.db2.gz	FHHUCTCIUXWFDA-UHFFFAOYSA-N	-1	3	375.328	1.416	50	0		GDAAHM
CCc1nn(C)c(Cl)c1CN1C[C@H]2C(=O)N(CC3CC3)C[C@@]2(C(=O)[O-])C1	ZINC000077421865	205362433	/nfs/dbraw/zinc/36/24/33/205362433.db2.gz	YXEVCYZKEMPQTG-UGSOOPFHSA-N	-1	3	380.876	1.391	50	0		GDAAHM
O=C([O-])COc1ccc(Cl)cc1CN1CCC2(C[NH2+][C@H](C(=O)[O-])C2)CC1	ZINC000082097048	205386232	/nfs/dbraw/zinc/38/62/32/205386232.db2.gz	AECRAVDQDIJZAN-AWEZNQCLSA-N	-1	3	382.844	1.832	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC	ZINC000032854909	206094583	/nfs/dbraw/zinc/09/45/83/206094583.db2.gz	WJGCBSVJQNYCMB-LBPRGKRZSA-N	-1	3	383.447	1.597	50	0		GDAAHM
Cn1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O	ZINC000253535434	206149611	/nfs/dbraw/zinc/14/96/11/206149611.db2.gz	PSOXBEDSSOTXON-HACGYAERSA-N	-1	3	380.404	1.276	50	0		GDAAHM
Cc1ccc([C@H](CNC(=O)c2ccccc2-c2nnn[n-]2)N2CCOCC2)o1	ZINC000299761705	206186280	/nfs/dbraw/zinc/18/62/80/206186280.db2.gz	ZEBZNJXJJPQVPF-INIZCTEOSA-N	-1	3	382.424	1.571	50	0		GDAAHM
Cc1ccc([C@H](CNC(=O)c2ccccc2-c2nn[n-]n2)N2CCOCC2)o1	ZINC000299761705	206186284	/nfs/dbraw/zinc/18/62/84/206186284.db2.gz	ZEBZNJXJJPQVPF-INIZCTEOSA-N	-1	3	382.424	1.571	50	0		GDAAHM
Cn1cccc1[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCN(C)CC1	ZINC000021154859	570292395	/nfs/dbraw/zinc/29/23/95/570292395.db2.gz	IXPKAMQSNZTBAI-KRWDZBQOSA-N	-1	3	398.479	1.570	50	0		GDAAHM
CCCCCC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[n-]c1=O	ZINC000014506942	570312159	/nfs/dbraw/zinc/31/21/59/570312159.db2.gz	VRGNSBXBSYFOPG-UHFFFAOYSA-N	-1	3	388.468	1.879	50	0		GDAAHM
CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000022692498	570324891	/nfs/dbraw/zinc/32/48/91/570324891.db2.gz	KCZKKIXFBMDDKK-UHFFFAOYSA-N	-1	3	393.440	1.883	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccc2ccn(C)c2c1=O	ZINC000575615809	570355719	/nfs/dbraw/zinc/35/57/19/570355719.db2.gz	GHNRLCCUTNSPCH-UHFFFAOYSA-N	-1	3	395.462	1.167	50	0		GDAAHM
Cc1[nH]c2cc(=O)[n-]n2c(=O)c1CCC(=O)NCCc1cn(C)c2ccccc12	ZINC000604419436	570363510	/nfs/dbraw/zinc/36/35/10/570363510.db2.gz	OXKDDUUGGNWYFY-UHFFFAOYSA-N	-1	3	393.447	1.820	50	0		GDAAHM
CC(C)c1cc([N-]C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)on1	ZINC000023867549	570374224	/nfs/dbraw/zinc/37/42/24/570374224.db2.gz	LUFANWVMKHRNEE-VXGBXAGGSA-N	-1	3	377.397	1.455	50	0		GDAAHM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)[O-]	ZINC000248097393	570439765	/nfs/dbraw/zinc/43/97/65/570439765.db2.gz	YWFQLWIVTMRHDH-MTSZKFMLSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
O=C1[N-]C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C(=O)N1	ZINC000035877113	570469585	/nfs/dbraw/zinc/46/95/85/570469585.db2.gz	VCMAPYWNMGYANW-SFHVURJKSA-N	-1	3	390.443	1.286	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2	ZINC000033018904	570631600	/nfs/dbraw/zinc/63/16/00/570631600.db2.gz	ULWDYFYFLZCTPF-LLVKDONJSA-N	-1	3	380.397	1.538	50	0		GDAAHM
Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnc21	ZINC000012815776	570720658	/nfs/dbraw/zinc/72/06/58/570720658.db2.gz	XEXZYTUKYOALHR-UHFFFAOYSA-N	-1	3	376.275	1.196	50	0		GDAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(N3CCOCC3)nc1)C2=O	ZINC000012944556	570731523	/nfs/dbraw/zinc/73/15/23/570731523.db2.gz	QDQBMJKKWRQVRA-UHFFFAOYSA-N	-1	3	387.440	1.064	50	0		GDAAHM
O=c1[n-]c(CN(CCO)CCO)nc2c1C1(CCCCC1)Cc1ccccc1-2	ZINC000018008851	570750470	/nfs/dbraw/zinc/75/04/70/570750470.db2.gz	VVYUSOLACKPWOJ-UHFFFAOYSA-N	-1	3	383.492	1.982	50	0		GDAAHM
Cc1nc(S(=O)(=O)[N-]Cc2nnc3ccc(-c4ccsc4)nn32)cn1C	ZINC000238867510	570808019	/nfs/dbraw/zinc/80/80/19/570808019.db2.gz	MCQCJKNRZZBKNF-UHFFFAOYSA-N	-1	3	389.466	1.373	50	0		GDAAHM
Cc1ccc(N2C[C@H](C(=O)N3CCC(n4c([O-])coc4=O)CC3)CC2=O)cc1C	ZINC000240067919	570846248	/nfs/dbraw/zinc/84/62/48/570846248.db2.gz	SDRHKOZIJJXTQU-OAHLLOKOSA-N	-1	3	399.447	1.626	50	0		GDAAHM
COc1ccc(NC2=N[C@H](C(=O)Nc3ccc4c(c3)OCO4)C=C([O-])N2)cc1	ZINC000018240633	570952086	/nfs/dbraw/zinc/95/20/86/570952086.db2.gz	UPBCYRQOMIXOQP-AWEZNQCLSA-N	-1	3	382.376	1.719	50	0		GDAAHM
C[C@H]1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCO1	ZINC000012765202	571015680	/nfs/dbraw/zinc/01/56/80/571015680.db2.gz	ZYAFZYXPKBLNGS-LBPRGKRZSA-N	-1	3	385.449	1.861	50	0		GDAAHM
Cc1ncc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c(C)n1	ZINC000091848866	571033034	/nfs/dbraw/zinc/03/30/34/571033034.db2.gz	SRHDHSLBCKBNQC-AEFFLSMTSA-N	-1	3	389.500	1.036	50	0		GDAAHM
CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[n-]c3ccc(OC)cc3c1=O)CC2	ZINC000091846954	571033154	/nfs/dbraw/zinc/03/31/54/571033154.db2.gz	XWPHPYAYBUVZRP-MSOLQXFVSA-N	-1	3	386.448	1.929	50	0		GDAAHM
Cc1[nH]nc(CCC(=O)N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)c1C	ZINC000095356575	571052265	/nfs/dbraw/zinc/05/22/65/571052265.db2.gz	LHZJZZIJRTWPRT-AEFFLSMTSA-N	-1	3	392.500	1.373	50	0		GDAAHM
CCOCc1cc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])ccc1OC	ZINC000095370186	571060913	/nfs/dbraw/zinc/06/09/13/571060913.db2.gz	PBVAVTZJYPLLAO-INIZCTEOSA-N	-1	3	376.453	1.787	50	0		GDAAHM
Cc1cccc(NC(=O)CCC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000095498581	571074922	/nfs/dbraw/zinc/07/49/22/571074922.db2.gz	NUTWLYNLHONMCK-INIZCTEOSA-N	-1	3	386.452	1.550	50	0		GDAAHM
CO[C@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl)[C@H]1CCOC1	ZINC000656731481	654051610	/nfs/dbraw/zinc/05/16/10/654051610.db2.gz	MGAWROIETNGANI-IINYFYTJSA-N	-1	3	387.849	1.109	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCc1cscn1	ZINC000033138929	530611618	/nfs/dbraw/zinc/61/16/18/530611618.db2.gz	FDZVQTYCXLDPJE-UHFFFAOYSA-N	-1	3	375.859	1.400	50	0		GDAAHM
Cc1cc(-c2csc(S(=O)(=O)[N-]CCCN3CCN(C)CC3)c2)on1	ZINC000035527746	530614011	/nfs/dbraw/zinc/61/40/11/530614011.db2.gz	SWOLIZXTTTXOBJ-UHFFFAOYSA-N	-1	3	384.527	1.627	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@H]23)cnn1C	ZINC000101075887	530823725	/nfs/dbraw/zinc/82/37/25/530823725.db2.gz	RNZJTKPKHZVFGA-OCCSQVGLSA-N	-1	3	389.209	1.784	50	0		GDAAHM
COCCN1CC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000670450734	531834236	/nfs/dbraw/zinc/83/42/36/531834236.db2.gz	APCWDXGBTPGUFY-LLVKDONJSA-N	-1	3	376.862	1.285	50	0		GDAAHM
O=C(COc1ccccc1)[N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O	ZINC000010251802	203904300	/nfs/dbraw/zinc/90/43/00/203904300.db2.gz	HDHGQZICGDVTOX-UHFFFAOYSA-N	-1	3	379.351	1.870	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(N2CCOCC2)cc1	ZINC000003476702	204008582	/nfs/dbraw/zinc/00/85/82/204008582.db2.gz	SBBGUWBXXPNMKW-UHFFFAOYSA-N	-1	3	393.440	1.579	50	0		GDAAHM
COc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)c1	ZINC000004251432	204034297	/nfs/dbraw/zinc/03/42/97/204034297.db2.gz	KRAFKGAEUGFKBL-UHFFFAOYSA-N	-1	3	388.453	1.850	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N)c(S(N)(=O)=O)c2)cc1Cl	ZINC000006785051	204204863	/nfs/dbraw/zinc/20/48/63/204204863.db2.gz	YLAKGWDUXZDBBV-UHFFFAOYSA-N	-1	3	375.859	1.679	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccco2)C1	ZINC000008843416	204291359	/nfs/dbraw/zinc/29/13/59/204291359.db2.gz	WWDCXJRJRNEQMU-AWEZNQCLSA-N	-1	3	383.451	1.762	50	0		GDAAHM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)NC(=O)CO3)NC(=O)CO2	ZINC000008816212	204291487	/nfs/dbraw/zinc/29/14/87/204291487.db2.gz	QAUZGGVFVSKRDW-UHFFFAOYSA-N	-1	3	389.389	1.458	50	0		GDAAHM
COc1cc(CNC(=O)C[C@H]2NC(=O)[N-]C2=O)ccc1OCc1ccccc1	ZINC000011707741	204351115	/nfs/dbraw/zinc/35/11/15/204351115.db2.gz	PLFCVBFQMLDXEA-OAHLLOKOSA-N	-1	3	383.404	1.489	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)on1	ZINC000036056155	205003583	/nfs/dbraw/zinc/00/35/83/205003583.db2.gz	YBRXNFOROCIFAR-GFCCVEGCSA-N	-1	3	384.483	1.378	50	0		GDAAHM
CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(S(N)(=O)=O)c2)ccc1F	ZINC000040086661	205050860	/nfs/dbraw/zinc/05/08/60/205050860.db2.gz	WDDKMELPIGWZLU-UHFFFAOYSA-N	-1	3	387.414	1.097	50	0		GDAAHM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[n-]c2ccc(OC(F)(F)F)cc2c1=O	ZINC000044918975	205091454	/nfs/dbraw/zinc/09/14/54/205091454.db2.gz	LKHDHROBNHWVSX-MRVPVSSYSA-N	-1	3	390.339	1.344	50	0		GDAAHM
COCCN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2C1=O	ZINC000065254857	205223640	/nfs/dbraw/zinc/22/36/40/205223640.db2.gz	VLHMJKLGQGPLLX-UHFFFAOYSA-N	-1	3	385.392	1.669	50	0		GDAAHM
O=C([O-])CN1CCCn2nc(CN3CCC(Oc4cccnc4)CC3)cc2C1	ZINC000072168352	205316242	/nfs/dbraw/zinc/31/62/42/205316242.db2.gz	WSLWRQMNPMGQEK-UHFFFAOYSA-N	-1	3	385.468	1.612	50	0		GDAAHM
COc1ccc(Br)c(C(=O)N2CC[C@@H](n3c([O-])coc3=O)C2)c1	ZINC000225700466	206066917	/nfs/dbraw/zinc/06/69/17/206066917.db2.gz	MZUSNZYDUKRTEX-SECBINFHSA-N	-1	3	383.198	1.651	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCOc1cccc(C)c1	ZINC000031617986	206087128	/nfs/dbraw/zinc/08/71/28/206087128.db2.gz	ULBFQVFOPPUTIO-UHFFFAOYSA-N	-1	3	391.449	1.461	50	0		GDAAHM
COc1ccccc1-c1cc(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N)n3)C2)[nH]n1	ZINC000253535875	206149588	/nfs/dbraw/zinc/14/95/88/206149588.db2.gz	VGGKXIUMJMAQMT-PHIMTYICSA-N	-1	3	380.408	1.839	50	0		GDAAHM
CN1Cc2ccccc2C[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000299767012	206186129	/nfs/dbraw/zinc/18/61/29/206186129.db2.gz	AFMDJYQFKFKSML-OAHLLOKOSA-N	-1	3	379.507	1.199	50	0		GDAAHM
Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]C4CC4)c(Cl)cc32)no1	ZINC000065022415	136158635	/nfs/dbraw/zinc/15/86/35/136158635.db2.gz	SECNFSGUEGOPPR-UHFFFAOYSA-N	-1	3	398.828	1.398	50	0		GDAAHM
CN(C[C@@H]1CCN(C)C1)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096132577	536432296	/nfs/dbraw/zinc/43/22/96/536432296.db2.gz	KBQZIAKMOUMGQF-CQSZACIVSA-N	-1	3	377.489	1.063	50	0		GDAAHM
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-]	ZINC000019799602	570220222	/nfs/dbraw/zinc/22/02/22/570220222.db2.gz	VZNYEYFGRWFMCT-UHFFFAOYSA-N	-1	3	397.888	1.737	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)Cn1cnc2ccc(F)cc2c1=O	ZINC000024897194	570397909	/nfs/dbraw/zinc/39/79/09/570397909.db2.gz	UUQGRDILOSMJTI-UHFFFAOYSA-N	-1	3	390.396	1.546	50	0		GDAAHM
Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccccc3N3CCCC3=O)cnc21	ZINC000025250491	570409341	/nfs/dbraw/zinc/40/93/41/570409341.db2.gz	VKDPQRFMMCNJDB-UHFFFAOYSA-N	-1	3	379.376	1.001	50	0		GDAAHM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)CC1)C(=O)[O-]	ZINC000248098338	570439981	/nfs/dbraw/zinc/43/99/81/570439981.db2.gz	YWFQLWIVTMRHDH-WOYTXXSLSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
Cc1nn(C)cc1CCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000133082784	570467642	/nfs/dbraw/zinc/46/76/42/570467642.db2.gz	HENPNEFZYQYQNH-UHFFFAOYSA-N	-1	3	380.445	1.880	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccc2c(c1)OCO2	ZINC000031618358	570818374	/nfs/dbraw/zinc/81/83/74/570818374.db2.gz	RCEDJRVKQBDOFZ-UHFFFAOYSA-N	-1	3	391.405	1.002	50	0		GDAAHM
O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)[n-]cnc2C1	ZINC000097087286	570891073	/nfs/dbraw/zinc/89/10/73/570891073.db2.gz	CQYDTNGCYZUROW-JTQLQIEISA-N	-1	3	390.802	1.500	50	0		GDAAHM
COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000013850720	570902226	/nfs/dbraw/zinc/90/22/26/570902226.db2.gz	MXKPGMKZNSWHEK-UHFFFAOYSA-N	-1	3	378.450	1.801	50	0		GDAAHM
CCOc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)[N-]c1cc(C)no1	ZINC000014565840	570906126	/nfs/dbraw/zinc/90/61/26/570906126.db2.gz	IUPZMKDVENAIDG-GFCCVEGCSA-N	-1	3	375.381	1.682	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)Cc1ccccc1F)N1CCO[C@H](c2ccccc2)C1	ZINC000016847597	570914225	/nfs/dbraw/zinc/91/42/25/570914225.db2.gz	NNJWVUXZQXZSBH-SFHVURJKSA-N	-1	3	392.452	1.845	50	0		GDAAHM
Cc1ccc(-c2cc(C(=O)NCCn3[n-]c(=O)c4ccccc4c3=O)[nH]n2)o1	ZINC000091624790	571019012	/nfs/dbraw/zinc/01/90/12/571019012.db2.gz	CKSVQLSKIZMOKG-UHFFFAOYSA-N	-1	3	379.376	1.824	50	0		GDAAHM
CCNC(=O)c1cccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c1	ZINC000012779056	571031908	/nfs/dbraw/zinc/03/19/08/571031908.db2.gz	LZWXFFGYKATALX-UHFFFAOYSA-N	-1	3	393.440	1.883	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)on1	ZINC000095375379	571064307	/nfs/dbraw/zinc/06/43/07/571064307.db2.gz	XPRVVTYIROKCPT-UHFFFAOYSA-N	-1	3	386.433	1.787	50	0		GDAAHM
C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2cc(=O)[n-]c(N)n2)C1	ZINC000095522338	571087510	/nfs/dbraw/zinc/08/75/10/571087510.db2.gz	OLCITZICKQHFKS-FQEVSTJZSA-N	-1	3	384.436	1.495	50	0		GDAAHM
Cc1cc([C@@H]2CCCN2C(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)no1	ZINC000426633798	231247658	/nfs/dbraw/zinc/24/76/58/231247658.db2.gz	FYISTKXKGCXIFI-INIZCTEOSA-N	-1	3	383.408	1.945	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(CCS(=O)(=O)c2ccc(C)cc2)S1	ZINC000000859538	530531291	/nfs/dbraw/zinc/53/12/91/530531291.db2.gz	XBHVHJCDWIQAFH-MRXNPFEDSA-N	-1	3	383.495	1.877	50	0		GDAAHM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[N-]C3=NCCS3)C2)cc1	ZINC000014158631	530559657	/nfs/dbraw/zinc/55/96/57/530559657.db2.gz	FUBOIBFMCQLGRP-LBPRGKRZSA-N	-1	3	383.495	1.315	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000019812810	530568320	/nfs/dbraw/zinc/56/83/20/530568320.db2.gz	WUSJROLXNFAHLS-UHFFFAOYSA-N	-1	3	379.276	1.068	50	0		GDAAHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)s1	ZINC000024471674	530577402	/nfs/dbraw/zinc/57/74/02/530577402.db2.gz	ZALUYQNHJZFWLL-UHFFFAOYSA-N	-1	3	378.479	1.553	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCC[C@H]1C	ZINC000170604009	530585832	/nfs/dbraw/zinc/58/58/32/530585832.db2.gz	SJJCXVXUERJDQT-VXGBXAGGSA-N	-1	3	388.511	1.911	50	0		GDAAHM
Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(N)=O)cn1	ZINC000089755396	530808849	/nfs/dbraw/zinc/80/88/49/530808849.db2.gz	VRVYOQPSIYDZTR-JTQLQIEISA-N	-1	3	391.280	1.349	50	0		GDAAHM
COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000003607120	204015725	/nfs/dbraw/zinc/01/57/25/204015725.db2.gz	XUBOMFCQGDBHNK-SNVBAGLBSA-N	-1	3	375.400	1.980	50	0	aggregator,fda	GDAAHM
CC(C)(C)c1nn2c(nnc2SCC(=O)Nc2ccc(F)cc2)[n-]c1=O	ZINC000004251434	204034588	/nfs/dbraw/zinc/03/45/88/204034588.db2.gz	FRHBHBQIPCVEAK-UHFFFAOYSA-N	-1	3	376.417	1.980	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccccn1	ZINC000004937857	204093865	/nfs/dbraw/zinc/09/38/65/204093865.db2.gz	MZVAHPDVDZDADG-LLVKDONJSA-N	-1	3	383.857	1.727	50	0		GDAAHM
O=C(COC(=O)c1c(F)cccc1F)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000007180417	204235212	/nfs/dbraw/zinc/23/52/12/204235212.db2.gz	PCJCDEBKPCLUKR-UHFFFAOYSA-N	-1	3	381.335	1.408	50	0		GDAAHM
COCCNC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1	ZINC000009621904	204317471	/nfs/dbraw/zinc/31/74/71/204317471.db2.gz	KOIAVHMFKROIPC-UHFFFAOYSA-N	-1	3	393.856	1.617	50	0		GDAAHM
CCS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3cn(C)nc3OC)o2)cc1	ZINC000036709558	204325357	/nfs/dbraw/zinc/32/53/57/204325357.db2.gz	MAWDEOYSKXQARV-UHFFFAOYSA-N	-1	3	391.409	1.525	50	0		GDAAHM
Cc1ccc(OCCN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000010283306	204333382	/nfs/dbraw/zinc/33/33/82/204333382.db2.gz	YHHAIWBTMUESGF-UHFFFAOYSA-N	-1	3	396.241	1.145	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)cc1OC	ZINC000040135010	205057363	/nfs/dbraw/zinc/05/73/63/205057363.db2.gz	XZTHKNNKWAUZKS-UHFFFAOYSA-N	-1	3	390.414	1.291	50	0		GDAAHM
COc1cc(F)c(S(=O)(=O)[N-]CC(C)C)cc1S(=O)(=O)NCC(C)C	ZINC000058081549	205164939	/nfs/dbraw/zinc/16/49/39/205164939.db2.gz	UJRSZRGFQGTTSB-UHFFFAOYSA-N	-1	3	396.506	1.703	50	0		GDAAHM
COCCN1CCn2cc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2C1=O	ZINC000065254860	205222970	/nfs/dbraw/zinc/22/29/70/205222970.db2.gz	CIYQNYWOYLDIAB-UHFFFAOYSA-N	-1	3	381.429	1.839	50	0		GDAAHM
COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)C	ZINC000009153906	205824028	/nfs/dbraw/zinc/82/40/28/205824028.db2.gz	DEAKLHSDRKFBDY-GFCCVEGCSA-N	-1	3	380.260	1.934	50	0		GDAAHM
O=C(N[C@@H](Cn1c([O-])coc1=O)c1ccccc1)[C@@H]1COc2ccccc2O1	ZINC000225635371	206062499	/nfs/dbraw/zinc/06/24/99/206062499.db2.gz	HNEKQWNVFIRRBR-YOEHRIQHSA-N	-1	3	382.372	1.663	50	0		GDAAHM
O=C(Cn1c(=O)oc2ccccc21)N[C@H](Cn1c([O-])coc1=O)c1ccccc1	ZINC000225635515	206062632	/nfs/dbraw/zinc/06/26/32/206062632.db2.gz	UFWOAZCDWVHQIF-CQSZACIVSA-N	-1	3	395.371	1.431	50	0		GDAAHM
CCNc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CS(=O)(=O)CC4)cn1	ZINC000225840025	206080906	/nfs/dbraw/zinc/08/09/06/206080906.db2.gz	IXOXEJCJBFBIKN-UHFFFAOYSA-N	-1	3	377.451	1.344	50	0		GDAAHM
Cc1cccn2c(CC(=O)N[C@H]3C[C@@H](c4cc(=O)[n-]c(N(C)C)n4)C3)cnc12	ZINC000253535327	206148857	/nfs/dbraw/zinc/14/88/57/206148857.db2.gz	LDIYPMRMMIXYCN-OKILXGFUSA-N	-1	3	380.452	1.809	50	0		GDAAHM
O=c1cc(CO)oc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1[O-]	ZINC000071281630	136165480	/nfs/dbraw/zinc/16/54/80/136165480.db2.gz	UUELHGYIWOJAQI-UHFFFAOYSA-N	-1	3	385.342	1.574	50	0		GDAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1-n1cnnc1	ZINC000426707392	534523866	/nfs/dbraw/zinc/52/38/66/534523866.db2.gz	JGGYDCKCNNVPJW-UHFFFAOYSA-N	-1	3	376.376	1.113	50	0		GDAAHM
Cn1c(=O)c(C(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)cc2c1CCCC2	ZINC000426701599	534668523	/nfs/dbraw/zinc/66/85/23/534668523.db2.gz	LRZCIKJXAYUYRK-UHFFFAOYSA-N	-1	3	394.431	1.110	50	0		GDAAHM
COc1ccc(NC(=O)C[C@H](CN2CCN(c3ccccn3)CC2)C(=O)[O-])cc1	ZINC000071283206	536781013	/nfs/dbraw/zinc/78/10/13/536781013.db2.gz	KSPCSTJRBYEMRS-MRXNPFEDSA-N	-1	3	398.463	1.942	50	0		GDAAHM
Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)c2ccc([O-])cc2)CC1	ZINC000096131740	570211205	/nfs/dbraw/zinc/21/12/05/570211205.db2.gz	HCLIDDUDAIQVNU-UHFFFAOYSA-N	-1	3	385.468	1.373	50	0		GDAAHM
CCOc1ccc2c(c1)[C@@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2CC	ZINC000000806637	570224375	/nfs/dbraw/zinc/22/43/75/570224375.db2.gz	ZHWSCXJXAKEMFP-QGZVFWFLSA-N	-1	3	376.438	1.607	50	0		GDAAHM
COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cn1	ZINC000097743589	570252505	/nfs/dbraw/zinc/25/25/05/570252505.db2.gz	VFELTITUCHHCRR-CQSZACIVSA-N	-1	3	379.420	1.984	50	0		GDAAHM
C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1n[nH]c(=O)c2ccccc21	ZINC000216234001	570297687	/nfs/dbraw/zinc/29/76/87/570297687.db2.gz	OOURRGRGUQPGIO-NSHDSACASA-N	-1	3	375.392	1.523	50	0		GDAAHM
C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1n[nH]c(=O)c2ccccc21	ZINC000216234001	570297690	/nfs/dbraw/zinc/29/76/90/570297690.db2.gz	OOURRGRGUQPGIO-NSHDSACASA-N	-1	3	375.392	1.523	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nc(OC)n1	ZINC000575606218	570329466	/nfs/dbraw/zinc/32/94/66/570329466.db2.gz	GNPMGRZPBTYMAI-UHFFFAOYSA-N	-1	3	392.359	1.527	50	0		GDAAHM
CN1CCc2c(CNC(=O)c3cccnc3Cl)c3c(c([O-])c2C1=O)OCO3	ZINC000604404665	570361443	/nfs/dbraw/zinc/36/14/43/570361443.db2.gz	IWSNUDXVOGFGBK-UHFFFAOYSA-N	-1	3	389.795	1.727	50	0	biogenic	GDAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccco1	ZINC000005068027	570410568	/nfs/dbraw/zinc/41/05/68/570410568.db2.gz	PKGCPISTRHWVGO-CQSZACIVSA-N	-1	3	394.478	1.904	50	0		GDAAHM
Cc1ccc([O-])c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000013012167	570417543	/nfs/dbraw/zinc/41/75/43/570417543.db2.gz	HUSIWHDVTCWUSX-UHFFFAOYSA-N	-1	3	390.461	1.652	50	0		GDAAHM
O=C1O[C@@H](C[N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2	ZINC000008838887	570683170	/nfs/dbraw/zinc/68/31/70/570683170.db2.gz	FZEROYSYMBURJU-LBPRGKRZSA-N	-1	3	394.380	1.858	50	0		GDAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccn(C)n1	ZINC000019078740	570727614	/nfs/dbraw/zinc/72/76/14/570727614.db2.gz	TZQFOEGLRFVVPG-ZDUSSCGKSA-N	-1	3	394.482	1.366	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000032794815	570814758	/nfs/dbraw/zinc/81/47/58/570814758.db2.gz	YLBQHLYHXFZVRC-LLVKDONJSA-N	-1	3	386.433	1.966	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCOc1ccc(Cl)cc1	ZINC000014254765	570839330	/nfs/dbraw/zinc/83/93/30/570839330.db2.gz	KQZJGIXVIBMAQD-UHFFFAOYSA-N	-1	3	387.823	1.929	50	0		GDAAHM
Cn1cc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=O	ZINC000091327149	571004172	/nfs/dbraw/zinc/00/41/72/571004172.db2.gz	UJAFIGBBOARBRJ-FQEVSTJZSA-N	-1	3	385.420	1.287	50	0		GDAAHM
Cc1nn2c([n-]1)nc(CN1CC[C@@]3(C1)CCCN(CC1CCC1)C3=O)cc2=O	ZINC000095381171	571067807	/nfs/dbraw/zinc/06/78/07/571067807.db2.gz	FVAATQOXLHSKSF-HXUWFJFHSA-N	-1	3	384.484	1.753	50	0		GDAAHM
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(C)c1[O-])CC2	ZINC000095525421	571090198	/nfs/dbraw/zinc/09/01/98/571090198.db2.gz	VZOPPDSWBQATKN-UHFFFAOYSA-N	-1	3	398.463	1.586	50	0		GDAAHM
Cc1nc(C2CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3=O)CC2)cc(=O)[n-]1	ZINC000095526411	571090934	/nfs/dbraw/zinc/09/09/34/571090934.db2.gz	JJQLKAGBRMOXSG-KRWDZBQOSA-N	-1	3	380.448	1.837	50	0		GDAAHM
COCc1ncc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)[O-])C2)cn1	ZINC000095529828	571092507	/nfs/dbraw/zinc/09/25/07/571092507.db2.gz	PUMVMQPLRNVLTN-OXQOHEQNSA-N	-1	3	385.420	1.694	50	0		GDAAHM
CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000004084055	939030709	/nfs/dbraw/zinc/03/07/09/939030709.db2.gz	LLXAYXKWEDJULA-IRXDYDNUSA-N	-1	3	375.469	1.541	50	0	biogenic	GDAAHM
CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	ZINC000079112613	530808053	/nfs/dbraw/zinc/80/80/53/530808053.db2.gz	PDUORZHTJSMONX-QMMMGPOBSA-N	-1	3	376.818	1.148	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(Cl)c1	ZINC000005026190	204103122	/nfs/dbraw/zinc/10/31/22/204103122.db2.gz	OHWSIWNVGUYZCT-UHFFFAOYSA-N	-1	3	393.852	2.000	50	0		GDAAHM
O=C([N-]C1=NCCS1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000006646872	204187191	/nfs/dbraw/zinc/18/71/91/204187191.db2.gz	GIKSLWKOHJUWIX-MDWZMJQESA-N	-1	3	379.507	1.918	50	0		GDAAHM
COC(=O)c1c([N-]C(=O)C(=O)NC[C@@H]2CCCO2)sc2c1CC(C)(C)OC2	ZINC000006670439	204191562	/nfs/dbraw/zinc/19/15/62/204191562.db2.gz	HSKZXDJEFOTEKA-JTQLQIEISA-N	-1	3	396.465	1.620	50	0		GDAAHM
O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000008736075	204287239	/nfs/dbraw/zinc/28/72/39/204287239.db2.gz	BEWUTBAAONVLLB-UHFFFAOYSA-N	-1	3	399.900	1.523	50	0		GDAAHM
Cn1c2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2oc1=O	ZINC000065138191	205213324	/nfs/dbraw/zinc/21/33/24/205213324.db2.gz	RAXMDRXLTSSSCF-UHFFFAOYSA-N	-1	3	386.389	1.660	50	0		GDAAHM
Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)Cc2cc(=O)[n-]c(N)n2)CC1	ZINC000067757022	205259386	/nfs/dbraw/zinc/25/93/86/205259386.db2.gz	RFVHPUXILVNAIV-UHFFFAOYSA-N	-1	3	392.463	1.999	50	0		GDAAHM
Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)Cc2cc(=O)[n-]c(N)n2)CC1	ZINC000067757022	205259389	/nfs/dbraw/zinc/25/93/89/205259389.db2.gz	RFVHPUXILVNAIV-UHFFFAOYSA-N	-1	3	392.463	1.999	50	0		GDAAHM
CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CC1	ZINC000067817501	205262554	/nfs/dbraw/zinc/26/25/54/205262554.db2.gz	YOXYDGLOKDSOFQ-UHFFFAOYSA-N	-1	3	388.428	1.134	50	0		GDAAHM
O=C(Nc1ccnn1C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1)C1CC1	ZINC000067817678	205262571	/nfs/dbraw/zinc/26/25/71/205262571.db2.gz	MSABONPNEYQGPM-UHFFFAOYSA-N	-1	3	379.424	1.980	50	0		GDAAHM
O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Br	ZINC000040446121	205271596	/nfs/dbraw/zinc/27/15/96/205271596.db2.gz	QDWOONRKHOFUPQ-QMMMGPOBSA-N	-1	3	386.264	1.301	50	0		GDAAHM
COc1cccc(CN2C[C@H](C(=O)NCc3cccnc3)C[C@H](C(=O)[O-])C2)c1	ZINC000072153179	205313339	/nfs/dbraw/zinc/31/33/39/205313339.db2.gz	BZTWSLUFBDYXTQ-MSOLQXFVSA-N	-1	3	383.448	1.929	50	0		GDAAHM
CCN1C[C@@]2(CCCN(C(=O)c3cc(-n4cnnn4)ccc3[O-])C2)CCC1=O	ZINC000072435629	205350246	/nfs/dbraw/zinc/35/02/46/205350246.db2.gz	UTROWTNUPSHYBJ-LJQANCHMSA-N	-1	3	384.440	1.233	50	0		GDAAHM
COc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1C(=O)[O-]	ZINC000077342755	205359157	/nfs/dbraw/zinc/35/91/57/205359157.db2.gz	LYKYWZDRESNQGO-UHFFFAOYSA-N	-1	3	387.484	1.963	50	0		GDAAHM
COc1cc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(C)=O)C3)CC2)cc(OC)c1	ZINC000082134661	205387793	/nfs/dbraw/zinc/38/77/93/205387793.db2.gz	ZRLZBDVITOLJNX-SFHVURJKSA-N	-1	3	376.453	1.991	50	0		GDAAHM
Cc1cc([N-]C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)on1	ZINC000023106850	205969651	/nfs/dbraw/zinc/96/96/51/205969651.db2.gz	OWBDDWXHSALRHE-UHFFFAOYSA-N	-1	3	381.410	1.021	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)n1	ZINC000223504489	206001446	/nfs/dbraw/zinc/00/14/46/206001446.db2.gz	ZBRBTXWYFRHEFY-LSDHHAIUSA-N	-1	3	375.473	1.035	50	0		GDAAHM
O=C(Cn1cnc2ccccc21)N[C@H](Cn1c([O-])coc1=O)c1ccccc1	ZINC000225636572	206063163	/nfs/dbraw/zinc/06/31/63/206063163.db2.gz	CCGYIEKQNJSWHR-MRXNPFEDSA-N	-1	3	378.388	1.873	50	0		GDAAHM
CCOC(=O)c1sc2[n-]c(CN3CCC(C(N)=O)CC3)nc(=O)c2c1C	ZINC000033040228	206095961	/nfs/dbraw/zinc/09/59/61/206095961.db2.gz	WFUYZSBOLRAOMR-UHFFFAOYSA-N	-1	3	378.454	1.167	50	0		GDAAHM
CC(C)CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(C)C[C@H]32)C1=O	ZINC000229906474	206110409	/nfs/dbraw/zinc/11/04/09/206110409.db2.gz	LLLWVNPDJDXZOW-AVRDEDQJSA-N	-1	3	398.507	1.864	50	0		GDAAHM
COc1ccc2[nH]c(C(=O)N3CCc4nc(N(C)C)[n-]c(=O)c4CC3)cc2c1	ZINC000299781722	206189614	/nfs/dbraw/zinc/18/96/14/206189614.db2.gz	UTYKZFAYSFFDIS-UHFFFAOYSA-N	-1	3	381.436	1.979	50	0		GDAAHM
O=C([O-])[C@@]12CN(Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]1CN(c1ncccn1)C2	ZINC000096149816	570214875	/nfs/dbraw/zinc/21/48/75/570214875.db2.gz	OPKKXPOFCLIEKN-BFUOFWGJSA-N	-1	3	396.476	1.951	50	0		GDAAHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1	ZINC000001470754	570236409	/nfs/dbraw/zinc/23/64/09/570236409.db2.gz	FVBIKVCTJSQWOD-UHFFFAOYSA-N	-1	3	379.390	1.810	50	0		GDAAHM
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1	ZINC000097602527	570247523	/nfs/dbraw/zinc/24/75/23/570247523.db2.gz	DQAFVAOQWIWAIA-CQSZACIVSA-N	-1	3	381.440	1.163	50	0		GDAAHM
Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1	ZINC000097759259	570252941	/nfs/dbraw/zinc/25/29/41/570252941.db2.gz	WPVOCBVYRKHDQS-HNNXBMFYSA-N	-1	3	376.420	1.950	50	0		GDAAHM
Cc1cc2ncc(C(=O)NCCN3CCC[C@H](c4ccccc4)C3)c(=O)n2[n-]1	ZINC000102363449	570256556	/nfs/dbraw/zinc/25/65/56/570256556.db2.gz	ZEHFKSONRUWTGT-KRWDZBQOSA-N	-1	3	379.464	1.940	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCOCC1	ZINC000022867816	570331884	/nfs/dbraw/zinc/33/18/84/570331884.db2.gz	MQEVPVZFPJQCDR-UHFFFAOYSA-N	-1	3	394.431	1.968	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)CNC(=O)NCc1ccccc1	ZINC000024892636	570397943	/nfs/dbraw/zinc/39/79/43/570397943.db2.gz	CKYPQLDCDMYZOS-UHFFFAOYSA-N	-1	3	376.438	1.496	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000048269448	570656635	/nfs/dbraw/zinc/65/66/35/570656635.db2.gz	TUCDGMORBSVBIU-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000048269448	570656637	/nfs/dbraw/zinc/65/66/37/570656637.db2.gz	TUCDGMORBSVBIU-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
O=c1[n-]nc(SCCCn2c(=O)[nH]c3ccccc32)n1C[C@@H]1CCCO1	ZINC000008882225	570683640	/nfs/dbraw/zinc/68/36/40/570683640.db2.gz	UVHSUYLYUFOQTF-LBPRGKRZSA-N	-1	3	375.454	1.576	50	0		GDAAHM
Cc1ccc([O-])c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1	ZINC000012794126	570715187	/nfs/dbraw/zinc/71/51/87/570715187.db2.gz	LCGUNUGYMLQYEE-UHFFFAOYSA-N	-1	3	396.490	1.713	50	0		GDAAHM
Cc1nc(C)c(CCC(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c(=O)[n-]1	ZINC000032842833	570851169	/nfs/dbraw/zinc/85/11/69/570851169.db2.gz	AZCFDXCDQZWZMI-CQSZACIVSA-N	-1	3	383.448	1.836	50	0		GDAAHM
COc1ccc(Cc2nnc(SCC(=O)[N-]C3=NCCS3)n2C)cc1	ZINC000004736036	530536735	/nfs/dbraw/zinc/53/67/35/530536735.db2.gz	NUIWKTBKKIEMJW-UHFFFAOYSA-N	-1	3	377.495	1.726	50	0		GDAAHM
CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]C1=NCCS1	ZINC000012861615	530557568	/nfs/dbraw/zinc/55/75/68/530557568.db2.gz	QLQZOWQYMCFVHN-GFCCVEGCSA-N	-1	3	380.495	1.503	50	0		GDAAHM
O=c1[n-]cnc2c1CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	ZINC000096012528	530817818	/nfs/dbraw/zinc/81/78/18/530817818.db2.gz	AEHFLHIUCFKPOM-UHFFFAOYSA-N	-1	3	375.328	1.416	50	0		GDAAHM
Cc1nc2ccccc2n1CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000008135824	204262889	/nfs/dbraw/zinc/26/28/89/204262889.db2.gz	WFVIZYHMAYRRJX-UHFFFAOYSA-N	-1	3	391.431	1.554	50	0		GDAAHM
C[C@@H](Sc1nc2sccc2c(=O)[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000010581399	204337240	/nfs/dbraw/zinc/33/72/40/204337240.db2.gz	GXYGSHWMXZVQGA-RKDXNWHRSA-N	-1	3	387.508	1.111	50	0		GDAAHM
C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1=O	ZINC000011904983	204360811	/nfs/dbraw/zinc/36/08/11/204360811.db2.gz	GIMNXLXSSPRDFP-NSHDSACASA-N	-1	3	398.437	1.939	50	0		GDAAHM
CCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[n-]c(=O)n2-c1ccccc1	ZINC000012390201	204403932	/nfs/dbraw/zinc/40/39/32/204403932.db2.gz	NYZBFZFETBBOHV-MRXNPFEDSA-N	-1	3	396.325	1.152	50	0		GDAAHM
CS(=O)(=O)N1CCc2nc([N-]C(=O)c3cc(-c4ccco4)on3)sc2C1	ZINC000077196520	205033136	/nfs/dbraw/zinc/03/31/36/205033136.db2.gz	YJZDWISNEDEKKA-UHFFFAOYSA-N	-1	3	394.434	1.961	50	0		GDAAHM
CC(C)(C)c1noc(CCC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)n1	ZINC000040111018	205052469	/nfs/dbraw/zinc/05/24/69/205052469.db2.gz	AEIANTGQOGVFDB-LJQANCHMSA-N	-1	3	385.424	1.993	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccnc1-n1cccn1	ZINC000058264935	205172615	/nfs/dbraw/zinc/17/26/15/205172615.db2.gz	CCROPJRJPMDXIN-UHFFFAOYSA-N	-1	3	378.435	1.594	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1	ZINC000067713012	205256339	/nfs/dbraw/zinc/25/63/39/205256339.db2.gz	KFIPXPKIVRGMSY-HNNXBMFYSA-N	-1	3	385.399	1.520	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1	ZINC000067692683	205257184	/nfs/dbraw/zinc/25/71/84/205257184.db2.gz	NXJBNTGCKWVCQX-CYBMUJFWSA-N	-1	3	397.410	1.541	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cc(=O)[n-]1	ZINC000067983365	205270499	/nfs/dbraw/zinc/27/04/99/205270499.db2.gz	RZLGTQIQDKQREU-CQSZACIVSA-N	-1	3	378.436	1.691	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[n-]1	ZINC000067983365	205270505	/nfs/dbraw/zinc/27/05/05/205270505.db2.gz	RZLGTQIQDKQREU-CQSZACIVSA-N	-1	3	378.436	1.691	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCc1csc(-n2cccn2)n1	ZINC000090609543	205274828	/nfs/dbraw/zinc/27/48/28/205274828.db2.gz	MJBADMCQXIMQQM-UHFFFAOYSA-N	-1	3	382.442	1.998	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c(=O)[n-]1	ZINC000069597015	205277037	/nfs/dbraw/zinc/27/70/37/205277037.db2.gz	OEYZLEXRVRYFTR-SNVBAGLBSA-N	-1	3	378.454	1.178	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2	ZINC000041428044	205634395	/nfs/dbraw/zinc/63/43/95/205634395.db2.gz	WZKSZFKZLHPHSJ-UHFFFAOYSA-N	-1	3	380.397	1.655	50	0		GDAAHM
O=C1C[C@@H]([N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCCO2	ZINC000004499692	205747959	/nfs/dbraw/zinc/74/79/59/205747959.db2.gz	NSOPMTXZWMQSBX-LLVKDONJSA-N	-1	3	380.447	1.603	50	0		GDAAHM
COc1ccc([N-]S(=O)(=O)c2cc(N)cc(C(=O)NCCN(C)C)c2)cc1	ZINC000299801333	206194328	/nfs/dbraw/zinc/19/43/28/206194328.db2.gz	VKXZDFJUZMYZNQ-UHFFFAOYSA-N	-1	3	392.481	1.370	50	0		GDAAHM
Cc1cc(=NC(=O)CCc2ccc3c(c2)CCO3)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159221	206196041	/nfs/dbraw/zinc/19/60/41/206196041.db2.gz	MGJGBPFGWCVCNR-INIZCTEOSA-N	-1	3	389.477	1.479	50	0		GDAAHM
C[C@]1(c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)NC(=O)[N-]C1=O	ZINC000040110839	132396831	/nfs/dbraw/zinc/39/68/31/132396831.db2.gz	QBEHTZCVCXABOC-HXUWFJFHSA-N	-1	3	394.387	1.105	50	0		GDAAHM
O=c1c(CN2CCOCC2)coc([O-])c1CN1CCN(c2ccccc2)CC1	ZINC000101372899	136189483	/nfs/dbraw/zinc/18/94/83/136189483.db2.gz	BUGQJCXSPACJID-UHFFFAOYSA-N	-1	3	385.464	1.500	50	0		GDAAHM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCN(c2ccccc2)CC1	ZINC000101372899	136189484	/nfs/dbraw/zinc/18/94/84/136189484.db2.gz	BUGQJCXSPACJID-UHFFFAOYSA-N	-1	3	385.464	1.500	50	0		GDAAHM
COC(=O)C=C1SC([N-]C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)=NC1=O	ZINC000002292984	522746262	/nfs/dbraw/zinc/74/62/62/522746262.db2.gz	LIELRVFMFKXPRE-CLUBXZQOSA-N	-1	3	387.373	1.314	50	0		GDAAHM
COc1ccc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)cc1Cl	ZINC000096149090	570214936	/nfs/dbraw/zinc/21/49/36/570214936.db2.gz	MGIZTMAUHOCSOX-UGSOOPFHSA-N	-1	3	381.860	1.849	50	0		GDAAHM
O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000917310	570229902	/nfs/dbraw/zinc/22/99/02/570229902.db2.gz	KBZTZHLUJXRDDK-UHFFFAOYSA-N	-1	3	396.490	1.649	50	0		GDAAHM
Cc1c(C)c(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c(C)c1C	ZINC000012907233	570290568	/nfs/dbraw/zinc/29/05/68/570290568.db2.gz	VBDIVTIDNFYTJI-UHFFFAOYSA-N	-1	3	379.482	1.591	50	0		GDAAHM
O=C(Cc1c[nH]c2ccccc12)NCC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000012407669	570654445	/nfs/dbraw/zinc/65/44/45/570654445.db2.gz	WJCNCWIHHVEBGP-UHFFFAOYSA-N	-1	3	399.432	1.341	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000017306785	570703434	/nfs/dbraw/zinc/70/34/34/570703434.db2.gz	VLEBEFXOWVCXOM-UHFFFAOYSA-N	-1	3	392.481	1.714	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000017306785	570703438	/nfs/dbraw/zinc/70/34/38/570703438.db2.gz	VLEBEFXOWVCXOM-UHFFFAOYSA-N	-1	3	392.481	1.714	50	0		GDAAHM
CCOC([O-])=NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012795542	570715730	/nfs/dbraw/zinc/71/57/30/570715730.db2.gz	GDKWTTKKPAHODD-UHFFFAOYSA-N	-1	3	376.409	1.625	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012795542	570715732	/nfs/dbraw/zinc/71/57/32/570715732.db2.gz	GDKWTTKKPAHODD-UHFFFAOYSA-N	-1	3	376.409	1.625	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCCC1=O	ZINC000012585325	570880870	/nfs/dbraw/zinc/88/08/70/570880870.db2.gz	TVUCRJKNHYWQSB-UHFFFAOYSA-N	-1	3	392.415	1.845	50	0		GDAAHM
COc1ccc(NC2=N[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C=C([O-])N2)cc1	ZINC000018240635	570952223	/nfs/dbraw/zinc/95/22/23/570952223.db2.gz	UPBCYRQOMIXOQP-CQSZACIVSA-N	-1	3	382.376	1.719	50	0		GDAAHM
NC(=O)NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1	ZINC000012740738	530556458	/nfs/dbraw/zinc/55/64/58/530556458.db2.gz	HBIFCYCGHSUTDP-UHFFFAOYSA-N	-1	3	378.801	1.462	50	0		GDAAHM
O=C1OCC[C@@H]1N1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000095455706	530817629	/nfs/dbraw/zinc/81/76/29/530817629.db2.gz	XIJNJPQDXMDCFC-LBPRGKRZSA-N	-1	3	394.280	1.447	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4cccc(Br)c4)C(=O)[C@H]23)cnn1C	ZINC000101104161	530823577	/nfs/dbraw/zinc/82/35/77/530823577.db2.gz	PDYAFLFQWXIAQN-TZMCWYRMSA-N	-1	3	389.209	1.784	50	0		GDAAHM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]CCN3CCCC[C@@H]3CO)cc2[nH]1	ZINC000670471896	531833792	/nfs/dbraw/zinc/83/37/92/531833792.db2.gz	JVELVUAYTPBANM-SNVBAGLBSA-N	-1	3	388.877	1.047	50	0		GDAAHM
Cc1ccc(C)c(N2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)c1	ZINC000004734406	204070812	/nfs/dbraw/zinc/07/08/12/204070812.db2.gz	NNNMEPBUDPKAIQ-UHFFFAOYSA-N	-1	3	393.534	1.992	50	0		GDAAHM
COc1ccc(CCNC(=O)C[N-]S(=O)(=O)c2cccs2)cc1OC	ZINC000004758008	204074545	/nfs/dbraw/zinc/07/45/45/204074545.db2.gz	UETWLHUKOPSCEE-UHFFFAOYSA-N	-1	3	384.479	1.403	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OCC(=O)N1CCCCCC1	ZINC000005906737	204157644	/nfs/dbraw/zinc/15/76/44/204157644.db2.gz	PGEGIYLLPGUHSC-JLHYYAGUSA-N	-1	3	380.466	1.523	50	0		GDAAHM
O=C([N-]C1=NCCS1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000006553511	204183975	/nfs/dbraw/zinc/18/39/75/204183975.db2.gz	XLGRQNATEKAIKT-UHFFFAOYSA-N	-1	3	378.479	1.067	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1ccc2c(c1)OCCO2	ZINC000008920322	204293877	/nfs/dbraw/zinc/29/38/77/204293877.db2.gz	KSTNZKYMJRFGMQ-UHFFFAOYSA-N	-1	3	395.415	1.210	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1ncc2c1ncnc2N1CCCC1	ZINC000035598419	204274291	/nfs/dbraw/zinc/27/42/91/204274291.db2.gz	MHRYXBBIOBZINM-UHFFFAOYSA-N	-1	3	391.457	1.010	50	0		GDAAHM
Cc1nc(C)c(CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(=O)[n-]1	ZINC000009893275	204326240	/nfs/dbraw/zinc/32/62/40/204326240.db2.gz	DAQAFSDZLDCHCZ-UHFFFAOYSA-N	-1	3	379.424	1.946	50	0		GDAAHM
COc1cc(NC(=O)COC(=O)c2ccc([O-])cc2O)cc(OC)c1OC	ZINC000021152187	204753722	/nfs/dbraw/zinc/75/37/22/204753722.db2.gz	AUVCFUWSPJRLEF-UHFFFAOYSA-N	-1	3	377.349	1.919	50	0		GDAAHM
CCOC(=O)Cc1csc([N-]C(=O)c2nnn(-c3ccc(OC)cc3)n2)n1	ZINC000077100317	205032298	/nfs/dbraw/zinc/03/22/98/205032298.db2.gz	XTAZYMWCRADDFA-UHFFFAOYSA-N	-1	3	388.409	1.485	50	0		GDAAHM
COc1ccc(OC)c(CN(C(=O)C[C@H]2NC(=O)[N-]C2=O)C2CCCC2)c1	ZINC000055386923	205149679	/nfs/dbraw/zinc/14/96/79/205149679.db2.gz	JSPJCGSMGXKIEJ-OAHLLOKOSA-N	-1	3	375.425	1.573	50	0		GDAAHM
C[C@H](CCn1cccn1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067694656	205257156	/nfs/dbraw/zinc/25/71/56/205257156.db2.gz	FTSDUTVAABCGGT-SNVBAGLBSA-N	-1	3	384.483	1.046	50	0		GDAAHM
CCOC(=O)C[C@H](c1cc(OC)ccc1OC)c1oc(CO)cc(=O)c1[O-]	ZINC000071279556	205279094	/nfs/dbraw/zinc/27/90/94/205279094.db2.gz	CBPDFFQDCVCTIS-CQSZACIVSA-N	-1	3	378.377	1.940	50	0		GDAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCN([C@H]2CCc3ccccc3C2)CC1	ZINC000072145280	205309828	/nfs/dbraw/zinc/30/98/28/205309828.db2.gz	PVVAYZOWHSAKAU-SFHVURJKSA-N	-1	3	378.476	1.963	50	0		GDAAHM
O=C(c1cccc([O-])c1)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077485637	205363681	/nfs/dbraw/zinc/36/36/81/205363681.db2.gz	BZXLXJQBZLUQDM-MOPGFXCFSA-N	-1	3	386.473	1.516	50	0		GDAAHM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccccc1OCCO)CC2	ZINC000082109416	205386779	/nfs/dbraw/zinc/38/67/79/205386779.db2.gz	VDIOHUYZWUYIOK-KRWDZBQOSA-N	-1	3	376.453	1.345	50	0		GDAAHM
Cc1c(C(=O)N2CCN(C)C[C@@H]2CN)sc2[n-]c(-c3ccco3)nc(=O)c12	ZINC000097019705	205581501	/nfs/dbraw/zinc/58/15/01/205581501.db2.gz	KAYXBAULLKEMHK-NSHDSACASA-N	-1	3	387.465	1.268	50	0		GDAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)Cc2ccc3c(c2)CCO3)s1	ZINC000225603435	206060254	/nfs/dbraw/zinc/06/02/54/206060254.db2.gz	XODIQRUNSNOCRQ-SNVBAGLBSA-N	-1	3	381.479	1.946	50	0		GDAAHM
Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]2C[C@@H](O)C2)cn1	ZINC000244716207	206130985	/nfs/dbraw/zinc/13/09/85/206130985.db2.gz	LKOBGTGZHZUYIH-UYNUJQBQSA-N	-1	3	375.372	1.628	50	0		GDAAHM
O=S(=O)([N-]C[C@H]1CCCN(c2ncnc3nc[nH]c32)C1)c1cccs1	ZINC000095529210	136181703	/nfs/dbraw/zinc/18/17/03/136181703.db2.gz	GILQZSXOBZPAPD-LLVKDONJSA-N	-1	3	378.483	1.609	50	0		GDAAHM
C[C@@H]1CCCN(CCC[N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)C1	ZINC000015728267	570221044	/nfs/dbraw/zinc/22/10/44/570221044.db2.gz	YLWZDTYFWPJNDJ-CYBMUJFWSA-N	-1	3	380.470	1.430	50	0		GDAAHM
CC[C@@H](C)NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1	ZINC000012810849	570225311	/nfs/dbraw/zinc/22/53/11/570225311.db2.gz	PMEXHCHFCSIENZ-SECBINFHSA-N	-1	3	389.481	1.699	50	0		GDAAHM
COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)NC2CCCC2)s1	ZINC000021011340	570289056	/nfs/dbraw/zinc/28/90/56/570289056.db2.gz	BWESMCMFIXEPSY-UHFFFAOYSA-N	-1	3	396.498	1.683	50	0		GDAAHM
Cc1ccc(-c2cc([N-]C(=O)CN3CCN(CC(=O)NC4CC4)CC3)on2)cc1	ZINC000022785941	570327316	/nfs/dbraw/zinc/32/73/16/570327316.db2.gz	YTQHSCFOIFXIFW-UHFFFAOYSA-N	-1	3	397.479	1.485	50	0		GDAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1	ZINC000575606044	570329165	/nfs/dbraw/zinc/32/91/65/570329165.db2.gz	JHMJSINZKLLOTJ-CYBMUJFWSA-N	-1	3	397.840	1.543	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)n1cccn1	ZINC000575612818	570337694	/nfs/dbraw/zinc/33/76/94/570337694.db2.gz	CKHZPZMXNKCVRZ-NSHDSACASA-N	-1	3	381.435	1.892	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCc1ccc(Cn2ccnc2)cc1	ZINC000025642808	570417355	/nfs/dbraw/zinc/41/73/55/570417355.db2.gz	FZOWFBTWMVJHFX-UHFFFAOYSA-N	-1	3	389.415	1.251	50	0		GDAAHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000248080407	570438404	/nfs/dbraw/zinc/43/84/04/570438404.db2.gz	PDAPPZMPVIHFMQ-ZQDZILKHSA-N	-1	3	387.546	1.215	50	0	biogenic	GDAAHM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000248236143	570450764	/nfs/dbraw/zinc/45/07/64/570450764.db2.gz	MPMDCDAQKBJDMJ-AJNGGQMLSA-N	-1	3	387.546	1.215	50	0	biogenic	GDAAHM
CS(=O)(=O)[N-]c1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1	ZINC000012630345	570692667	/nfs/dbraw/zinc/69/26/67/570692667.db2.gz	SLYOWKMJGFSTGO-UHFFFAOYSA-N	-1	3	391.380	1.897	50	0		GDAAHM
C[C@@H]1CN(Cc2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2)C[C@@H](C)O1	ZINC000583650665	570804081	/nfs/dbraw/zinc/80/40/81/570804081.db2.gz	KGLXFHLUODZWQV-HZPDHXFCSA-N	-1	3	377.485	1.384	50	0		GDAAHM
COc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1S(=O)(=O)N(C)C	ZINC000012507461	570823189	/nfs/dbraw/zinc/82/31/89/570823189.db2.gz	VVWIGHVFQAWLCB-UHFFFAOYSA-N	-1	3	375.410	1.469	50	0		GDAAHM
COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3[N-]S(=O)(=O)c2cccs2)cn1	ZINC000097125865	570897936	/nfs/dbraw/zinc/89/79/36/570897936.db2.gz	BFOLNJLTVAWUQN-IHRRRGAJSA-N	-1	3	393.490	1.733	50	0		GDAAHM
CN(C)[C@H]1CN(C(=O)c2cccc(-c3ncc(C(=O)[O-])cc3Cl)c2)C[C@@H]1O	ZINC000534646527	570909218	/nfs/dbraw/zinc/90/92/18/570909218.db2.gz	FPBRJDWZNXCQJK-HOTGVXAUSA-N	-1	3	389.839	1.847	50	0		GDAAHM
CC(C)n1ccnc1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091416525	571006370	/nfs/dbraw/zinc/00/63/70/571006370.db2.gz	FRCCJJNDYZLBEV-MSOLQXFVSA-N	-1	3	377.533	1.767	50	0		GDAAHM
COc1ccc([O-])c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)c1	ZINC000091440273	571008106	/nfs/dbraw/zinc/00/81/06/571008106.db2.gz	WZMMODNNNSSJPF-UHFFFAOYSA-N	-1	3	384.436	1.660	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)n1	ZINC000091769696	571029832	/nfs/dbraw/zinc/02/98/32/571029832.db2.gz	QBEBVUAUCQGHLT-HNNXBMFYSA-N	-1	3	389.500	1.568	50	0		GDAAHM
CC(=O)c1cc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n(C)c1	ZINC000095531169	571093396	/nfs/dbraw/zinc/09/33/96/571093396.db2.gz	ZYWGNOWOKMFMPT-XLIONFOSSA-N	-1	3	390.528	1.530	50	0		GDAAHM
CCN1CCN([C@@H](C[N-]S(=O)(=O)c2cccs2)c2cccnc2)CC1	ZINC000022457208	530572663	/nfs/dbraw/zinc/57/26/63/530572663.db2.gz	ROFVIGVNDRSCAJ-INIZCTEOSA-N	-1	3	380.539	1.800	50	0		GDAAHM
O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000072290653	530805999	/nfs/dbraw/zinc/80/59/99/530805999.db2.gz	IWPWWWRAGDFTIU-HWWQOWPSSA-N	-1	3	378.226	1.363	50	0		GDAAHM
COc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)cc1Cl	ZINC000264256279	531175919	/nfs/dbraw/zinc/17/59/19/531175919.db2.gz	CNWYXNPYNPPRBP-GFCCVEGCSA-N	-1	3	388.294	1.858	50	0		GDAAHM
Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000004278100	204035957	/nfs/dbraw/zinc/03/59/57/204035957.db2.gz	NQODCRHQWZYOBY-CYBMUJFWSA-N	-1	3	381.388	1.981	50	0		GDAAHM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1	ZINC000006887388	204219691	/nfs/dbraw/zinc/21/96/91/204219691.db2.gz	OQOOKRCZMTZUHZ-UHFFFAOYSA-N	-1	3	389.433	1.355	50	0		GDAAHM
Cc1cc(C(=O)COC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c(C)n1-c1nccs1	ZINC000025255545	204831961	/nfs/dbraw/zinc/83/19/61/204831961.db2.gz	BCLMIACVZNVYOE-LBPRGKRZSA-N	-1	3	390.421	1.265	50	0		GDAAHM
Cc1cccc(OCCc2nnc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)s2)c1	ZINC000055343057	205147366	/nfs/dbraw/zinc/14/73/66/205147366.db2.gz	HPTKFBCIBNLNOK-NSHDSACASA-N	-1	3	375.410	1.005	50	0		GDAAHM
Cc1ccn(-c2ccc(NCC[N-]S(=O)(=O)c3ccc(F)cc3F)nn2)n1	ZINC000072115771	205304833	/nfs/dbraw/zinc/30/48/33/205304833.db2.gz	UYIMDHCSIBXATD-UHFFFAOYSA-N	-1	3	394.407	1.639	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCCN(C(=O)Cc3ccccc3)C2)c1	ZINC000082087474	205384990	/nfs/dbraw/zinc/38/49/90/205384990.db2.gz	INKXYFHTDBBFPE-MRXNPFEDSA-N	-1	3	376.482	1.322	50	0		GDAAHM
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3cc(=O)c(OC)c[nH]3)C[C@H]21	ZINC000095390872	205454989	/nfs/dbraw/zinc/45/49/89/205454989.db2.gz	SGBGFDQWZOYZIK-FOIQADDNSA-N	-1	3	386.404	1.455	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CC2CCN(C(=O)COc3ccccc3)CC2)c1	ZINC000096025862	206113828	/nfs/dbraw/zinc/11/38/28/206113828.db2.gz	ARWFRNCPALPPRK-UHFFFAOYSA-N	-1	3	392.481	1.016	50	0		GDAAHM
CC(C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)c1cnn(C)c1	ZINC000253433372	206148449	/nfs/dbraw/zinc/14/84/49/206148449.db2.gz	WCTLSBVWZZASRO-UHFFFAOYSA-N	-1	3	386.499	1.180	50	0		GDAAHM
Cc1ccc(C2=NN(c3nc(N)cc4ncnn43)[C@]([O-])(C(F)(F)F)C2)cc1	ZINC000004478238	206215445	/nfs/dbraw/zinc/21/54/45/206215445.db2.gz	ULZNQUGONRHGHC-OAHLLOKOSA-N	-1	3	377.330	1.880	50	0		GDAAHM
O=C(Nc1ncccc1[O-])c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	ZINC000058191216	136154956	/nfs/dbraw/zinc/15/49/56/136154956.db2.gz	SNICDEGYQXBXQY-HUUCEWRRSA-N	-1	3	378.388	2.000	50	0		GDAAHM
O=C(Nc1ncccc1[O-])c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	ZINC000058191214	136154984	/nfs/dbraw/zinc/15/49/84/136154984.db2.gz	SNICDEGYQXBXQY-GJZGRUSLSA-N	-1	3	378.388	2.000	50	0		GDAAHM
Cc1nc2ccccc2nc1N1CCN(Cc2oc(CO)cc(=O)c2[O-])CC1	ZINC000071283376	136165561	/nfs/dbraw/zinc/16/55/61/136165561.db2.gz	FFRMJXDICGFPCT-UHFFFAOYSA-N	-1	3	382.420	1.412	50	0		GDAAHM
CCCN1CC[C@H](Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096165073	534957561	/nfs/dbraw/zinc/95/75/61/534957561.db2.gz	WMEVKHPVOIDZFC-AWEZNQCLSA-N	-1	3	377.489	1.572	50	0		GDAAHM
COc1cc2nc(-c3ccc([C@@H]4NC(=O)[N-]C4=O)cc3)nc(N)c2cc1OC	ZINC000097729769	570252289	/nfs/dbraw/zinc/25/22/89/570252289.db2.gz	QGYZIIDIFPCSQL-HNNXBMFYSA-N	-1	3	379.376	1.777	50	0		GDAAHM
CCOC(=O)c1c(CC)[n-]nc1S(=O)(=O)N1CCN(c2ccccc2)CC1	ZINC000048991665	570255516	/nfs/dbraw/zinc/25/55/16/570255516.db2.gz	VCHMWRWCXPIMPU-UHFFFAOYSA-N	-1	3	392.481	1.660	50	0		GDAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	ZINC000001436430	570263053	/nfs/dbraw/zinc/26/30/53/570263053.db2.gz	XUWIIYMNDKYKMU-UHFFFAOYSA-N	-1	3	376.328	1.116	50	0		GDAAHM
COCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1	ZINC000023144853	570346660	/nfs/dbraw/zinc/34/66/60/570346660.db2.gz	JQLZEWGFFZSONG-UHFFFAOYSA-N	-1	3	380.422	1.377	50	0		GDAAHM
O=C([N-]c1nnc([C@@H]2CCCO2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000010970519	570399558	/nfs/dbraw/zinc/39/95/58/570399558.db2.gz	AQFMGIHQZHCURP-AWEZNQCLSA-N	-1	3	392.437	1.958	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CC(C)(C)C)c(=O)[n-]c1=O	ZINC000012806919	570719100	/nfs/dbraw/zinc/71/91/00/570719100.db2.gz	VZEHJEPSIVGMOE-UHFFFAOYSA-N	-1	3	388.468	1.735	50	0		GDAAHM
COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)NC[C@H]2CCCO2)C3)cc1	ZINC000065260322	570758503	/nfs/dbraw/zinc/75/85/03/570758503.db2.gz	HHVDEEFQDDBKNC-OAHLLOKOSA-N	-1	3	384.436	1.692	50	0		GDAAHM
CCOC(=O)CCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[n-]c1=O	ZINC000013639817	570765676	/nfs/dbraw/zinc/76/56/76/570765676.db2.gz	HAAFULCHKAMGGX-UHFFFAOYSA-N	-1	3	384.480	1.896	50	0		GDAAHM
COc1ccc(C)cc1CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000032769043	570803351	/nfs/dbraw/zinc/80/33/51/570803351.db2.gz	WQSBHCNQPUCHEL-CYBMUJFWSA-N	-1	3	395.481	1.634	50	0		GDAAHM
COc1ccc(CCC(=O)N2CCCN(Cc3n[n-]c(=O)s3)CC2)cc1	ZINC000170607400	570864461	/nfs/dbraw/zinc/86/44/61/570864461.db2.gz	BBDOWSJLDSYXRZ-UHFFFAOYSA-N	-1	3	376.482	1.507	50	0		GDAAHM
C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)C1=O	ZINC000170625699	570883070	/nfs/dbraw/zinc/88/30/70/570883070.db2.gz	MXHCYYDXOXGEAO-MRXNPFEDSA-N	-1	3	395.341	1.869	50	0		GDAAHM
C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)C1=O	ZINC000170625699	570883072	/nfs/dbraw/zinc/88/30/72/570883072.db2.gz	MXHCYYDXOXGEAO-MRXNPFEDSA-N	-1	3	395.341	1.869	50	0		GDAAHM
CC(C)c1nc(S(=O)(=O)N2CC(S(=O)(=O)[N-]c3ccccc3)C2)c[nH]1	ZINC000096005068	570936364	/nfs/dbraw/zinc/93/63/64/570936364.db2.gz	XEJHBKQYCFTRNE-UHFFFAOYSA-N	-1	3	384.483	1.348	50	0		GDAAHM
CNC(=O)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000012601072	570980513	/nfs/dbraw/zinc/98/05/13/570980513.db2.gz	RTNMUQIGMPBWNQ-UHFFFAOYSA-N	-1	3	379.413	1.492	50	0		GDAAHM
COc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c([O-])c1	ZINC000091585635	571015384	/nfs/dbraw/zinc/01/53/84/571015384.db2.gz	XIEVPMFSFNEOLE-APWZRJJASA-N	-1	3	391.512	1.251	50	0		GDAAHM
CCCn1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1C	ZINC000095520140	571086443	/nfs/dbraw/zinc/08/64/43/571086443.db2.gz	QLWJMLBLYRKFBY-QUCCMNQESA-N	-1	3	391.560	1.904	50	0		GDAAHM
COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1ccc(Br)cc1	ZINC000000951794	530531170	/nfs/dbraw/zinc/53/11/70/530531170.db2.gz	MNKPJDUXMVBZGF-NSHDSACASA-N	-1	3	392.209	1.830	50	0		GDAAHM
O=C1C[C@H]([N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCCO2	ZINC000004499693	530535876	/nfs/dbraw/zinc/53/58/76/530535876.db2.gz	NSOPMTXZWMQSBX-NSHDSACASA-N	-1	3	380.447	1.603	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cscn1	ZINC000033138954	530611626	/nfs/dbraw/zinc/61/16/26/530611626.db2.gz	STLFEQFSRVOOSQ-VIFPVBQESA-N	-1	3	389.886	1.788	50	0		GDAAHM
O=C1NC(=O)[C@@]2(CCC[C@H]2C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N1	ZINC000089764376	530808667	/nfs/dbraw/zinc/80/86/67/530808667.db2.gz	HYHAGSMUVDWZIW-RTHLEPHNSA-N	-1	3	392.264	1.650	50	0		GDAAHM
COc1ccc(CCNC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1OC	ZINC000003411867	204004750	/nfs/dbraw/zinc/00/47/50/204004750.db2.gz	UPEBBHUALPTVIU-UHFFFAOYSA-N	-1	3	398.506	1.793	50	0		GDAAHM
O=C(CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21)NC1CCCCC1	ZINC000004251414	204034105	/nfs/dbraw/zinc/03/41/05/204034105.db2.gz	FTAFHMZDPROXRS-UHFFFAOYSA-N	-1	3	398.492	1.944	50	0		GDAAHM
O=C(COC(=O)c1ccc(Cl)nc1)[N-]N1C(=O)NC2(CCCCC2)C1=O	ZINC000006635274	204187808	/nfs/dbraw/zinc/18/78/08/204187808.db2.gz	OJQFYOXJKDVATF-UHFFFAOYSA-N	-1	3	380.788	1.178	50	0		GDAAHM
O=C([N-]c1nc(C2CC2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)o1	ZINC000036394064	205015660	/nfs/dbraw/zinc/01/56/60/205015660.db2.gz	DALZIQWSKOFLAO-UHFFFAOYSA-N	-1	3	383.451	1.887	50	0		GDAAHM
COc1cc(OC)cc([C@@H]2[C@H](S(=O)(=O)[N-]Cc3ccco3)CON2C)c1	ZINC000037547473	205028624	/nfs/dbraw/zinc/02/86/24/205028624.db2.gz	SWCLYNHRRAXLLO-IAGOWNOFSA-N	-1	3	382.438	1.703	50	0		GDAAHM
CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(F)(F)F	ZINC000044195661	205084712	/nfs/dbraw/zinc/08/47/12/205084712.db2.gz	YAZYOOULYGTBDH-SNVBAGLBSA-N	-1	3	388.408	1.904	50	0		GDAAHM
Cc1sc2[n-]c(COC(=O)c3ccc(-n4cnnn4)cc3)nc(=O)c2c1C	ZINC000058356647	205173776	/nfs/dbraw/zinc/17/37/76/205173776.db2.gz	FECASPRHSXMUBD-UHFFFAOYSA-N	-1	3	382.405	1.934	50	0		GDAAHM
CC[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1ccnn1C	ZINC000067678579	205254669	/nfs/dbraw/zinc/25/46/69/205254669.db2.gz	ULTJRSHBRMXNMH-SNVBAGLBSA-N	-1	3	384.483	1.255	50	0		GDAAHM
Cc1noc(C)c1NC(=O)N1CCC([C@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067805033	205260620	/nfs/dbraw/zinc/26/06/20/205260620.db2.gz	IGYIZDJBARCHCN-LJQANCHMSA-N	-1	3	398.423	1.665	50	0		GDAAHM
CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+]1CCc3nc(C)[n-]c(=O)c3CC1)C2	ZINC000067966528	205269551	/nfs/dbraw/zinc/26/95/51/205269551.db2.gz	MMXBJWJZDRYZBO-ZDUSSCGKSA-N	-1	3	385.468	1.341	50	0		GDAAHM
CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+]1CCc3nc(C)[n-]c(=O)c3CC1)C2	ZINC000067966528	205269552	/nfs/dbraw/zinc/26/95/52/205269552.db2.gz	MMXBJWJZDRYZBO-ZDUSSCGKSA-N	-1	3	385.468	1.341	50	0		GDAAHM
CCOC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CO)cc(=O)c1[O-]	ZINC000071279973	205280319	/nfs/dbraw/zinc/28/03/19/205280319.db2.gz	DBTWNEKBPRJCNF-CYBMUJFWSA-N	-1	3	376.361	1.694	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c(=O)[n-]1	ZINC000072164506	205315340	/nfs/dbraw/zinc/31/53/40/205315340.db2.gz	NXUJVEIMSRDITD-OAHLLOKOSA-N	-1	3	384.436	1.761	50	0		GDAAHM
CC1=C(CCN2CCOC[C@@H]2CC(=O)NCc2nn[n-]n2)C(C)(C)CCC1	ZINC000072409535	205347405	/nfs/dbraw/zinc/34/74/05/205347405.db2.gz	RYOZAXDOZCLNTM-HNNXBMFYSA-N	-1	3	376.505	1.824	50	0		GDAAHM
CC1=C(CCN2CCOC[C@@H]2CC(=O)NCc2nnn[n-]2)C(C)(C)CCC1	ZINC000072409535	205347409	/nfs/dbraw/zinc/34/74/09/205347409.db2.gz	RYOZAXDOZCLNTM-HNNXBMFYSA-N	-1	3	376.505	1.824	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccc(-c2ccccn2)n1	ZINC000096098927	206114010	/nfs/dbraw/zinc/11/40/10/206114010.db2.gz	ZMYFNYUWDPLQQR-UHFFFAOYSA-N	-1	3	392.462	1.772	50	0		GDAAHM
COC1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCSCC1	ZINC000244986087	206133548	/nfs/dbraw/zinc/13/35/48/206133548.db2.gz	JFJLGNCQRZJXME-UHFFFAOYSA-N	-1	3	387.462	1.196	50	0		GDAAHM
COC1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCSCC1	ZINC000244986087	206133553	/nfs/dbraw/zinc/13/35/53/206133553.db2.gz	JFJLGNCQRZJXME-UHFFFAOYSA-N	-1	3	387.462	1.196	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1OC	ZINC000009828160	221092059	/nfs/dbraw/zinc/09/20/59/221092059.db2.gz	MMZZWVYSRUVONK-UHFFFAOYSA-N	-1	3	392.433	1.969	50	0		GDAAHM
O=C([O-])[C@@]12CN(Cc3cncn3C3CCCC3)C[C@@H]1CN(c1ncccn1)C2	ZINC000096179896	570218778	/nfs/dbraw/zinc/21/87/78/570218778.db2.gz	KKMHYVUCTNEPQP-FOIQADDNSA-N	-1	3	382.468	1.811	50	0		GDAAHM
Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)c3c(=O)[n-]n(C)c3[nH]c2=O)on1	ZINC000048333142	570237547	/nfs/dbraw/zinc/23/75/47/570237547.db2.gz	JBBHLGFGFCLONP-ZDUSSCGKSA-N	-1	3	385.424	1.456	50	0		GDAAHM
COc1c[n-]c(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)cc1=O	ZINC000604418942	570362748	/nfs/dbraw/zinc/36/27/48/570362748.db2.gz	UQPNTUPEUMCCAU-UHFFFAOYSA-N	-1	3	377.422	1.566	50	0		GDAAHM
C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000027373941	570433754	/nfs/dbraw/zinc/43/37/54/570433754.db2.gz	FSWJBKDRGNTAEV-GFCCVEGCSA-N	-1	3	385.472	1.637	50	0		GDAAHM
COc1cccc([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1OC	ZINC000248138827	570440804	/nfs/dbraw/zinc/44/08/04/570440804.db2.gz	QCWJMPPMCUCZPH-YVSFHVDLSA-N	-1	3	396.399	1.607	50	0		GDAAHM
CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269078621	570523836	/nfs/dbraw/zinc/52/38/36/570523836.db2.gz	BTMDROSMRHQBQR-OKZBNKHCSA-N	-1	3	387.480	1.131	50	0		GDAAHM
CC(C)c1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[n-]c2=O)cc1	ZINC000013691582	570775850	/nfs/dbraw/zinc/77/58/50/570775850.db2.gz	ZADIPEZUVGXEOE-UHFFFAOYSA-N	-1	3	394.391	1.373	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCc1ccccc1OC	ZINC000032747406	570793521	/nfs/dbraw/zinc/79/35/21/570793521.db2.gz	LKGSRUUUILUTAS-UHFFFAOYSA-N	-1	3	391.449	1.325	50	0		GDAAHM
C[C@@H]1CN(Cc2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2)C[C@H](C)O1	ZINC000583650666	570804198	/nfs/dbraw/zinc/80/41/98/570804198.db2.gz	KGLXFHLUODZWQV-IYBDPMFKSA-N	-1	3	377.485	1.384	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)CN(C)CC2	ZINC000032845371	570852818	/nfs/dbraw/zinc/85/28/18/570852818.db2.gz	ZDBUHVNNWRHQHJ-SNVBAGLBSA-N	-1	3	398.485	1.576	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)c(=O)[n-]1	ZINC000091350942	571004250	/nfs/dbraw/zinc/00/42/50/571004250.db2.gz	MCKJIXBDLYIJLI-MRXNPFEDSA-N	-1	3	378.436	1.704	50	0		GDAAHM
Cc1nc([C@@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)cc(=O)[n-]1	ZINC000091690099	571026094	/nfs/dbraw/zinc/02/60/94/571026094.db2.gz	MADLYAOJLQVUFN-OAHLLOKOSA-N	-1	3	379.420	1.194	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21	ZINC000091846979	571033058	/nfs/dbraw/zinc/03/30/58/571033058.db2.gz	DAKRJXVMYLEKRZ-HNNXBMFYSA-N	-1	3	377.404	1.257	50	0		GDAAHM
O=C(NCc1nnc(-c2ccccc2)o1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095387460	571070850	/nfs/dbraw/zinc/07/08/50/571070850.db2.gz	XJNFFNQPZCNQLS-UHFFFAOYSA-N	-1	3	377.360	1.723	50	0		GDAAHM
CN(C)CCOc1ccccc1CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-]	ZINC000095389009	571071663	/nfs/dbraw/zinc/07/16/63/571071663.db2.gz	ZVQPUZKPRDZIKO-MRXNPFEDSA-N	-1	3	375.469	1.182	50	0		GDAAHM
Cn1ncc(Cl)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000095391345	571073191	/nfs/dbraw/zinc/07/31/91/571073191.db2.gz	LUFGNSUXIXKSAK-HIFRSBDPSA-N	-1	3	397.907	1.016	50	0		GDAAHM
Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426597396	231244980	/nfs/dbraw/zinc/24/49/80/231244980.db2.gz	KUOQNGYYGQJGNE-ZDUSSCGKSA-N	-1	3	384.440	1.384	50	0		GDAAHM
CCN(C(=O)COC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000003341413	530534247	/nfs/dbraw/zinc/53/42/47/530534247.db2.gz	FSHPRDGVIMEVGO-LLVKDONJSA-N	-1	3	375.830	1.238	50	0		GDAAHM
O=C1NC(=O)[C@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N1	ZINC000089764384	530808983	/nfs/dbraw/zinc/80/89/83/530808983.db2.gz	HYHAGSMUVDWZIW-XLKFXECMSA-N	-1	3	392.264	1.650	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1cccnc1	ZINC000004937864	204093820	/nfs/dbraw/zinc/09/38/20/204093820.db2.gz	AFTXEVPJIKRNDJ-LLVKDONJSA-N	-1	3	383.857	1.727	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000005023324	204104088	/nfs/dbraw/zinc/10/40/88/204104088.db2.gz	QIAFVDXKNZOLOR-TZMCWYRMSA-N	-1	3	377.784	1.022	50	0		GDAAHM
Cc1ccc(C(=O)[C@H](NC(=O)c2ccccc2)n2cc(F)c(=O)[n-]c2=O)cc1	ZINC000035681916	204293318	/nfs/dbraw/zinc/29/33/18/204293318.db2.gz	XGNLLDUTXJRCKU-QGZVFWFLSA-N	-1	3	381.363	1.796	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000008993024	204295391	/nfs/dbraw/zinc/29/53/91/204295391.db2.gz	KXBUQGRMGMYILM-UHFFFAOYSA-N	-1	3	376.844	1.856	50	0		GDAAHM
CCc1ccccc1NC(=O)CN(C)C(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000008294864	204270183	/nfs/dbraw/zinc/27/01/83/204270183.db2.gz	PKTKDNUIYVTFOQ-UHFFFAOYSA-N	-1	3	394.431	1.349	50	0		GDAAHM
CN(C)S(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2F)s1	ZINC000010678496	204338408	/nfs/dbraw/zinc/33/84/08/204338408.db2.gz	UYVNMSBCLWMDFN-UHFFFAOYSA-N	-1	3	378.472	1.616	50	0		GDAAHM
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000011599120	204348293	/nfs/dbraw/zinc/34/82/93/204348293.db2.gz	VWQVRMKIQXZNHN-UHFFFAOYSA-N	-1	3	379.413	1.908	50	0		GDAAHM
C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(NS(C)(=O)=O)c1	ZINC000052941414	205135540	/nfs/dbraw/zinc/13/55/40/205135540.db2.gz	USNYEOZOZORJSK-SNVBAGLBSA-N	-1	3	378.406	1.983	50	0		GDAAHM
COc1ccc(OC)c(CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C2CCCC2)c1	ZINC000055386929	205148525	/nfs/dbraw/zinc/14/85/25/205148525.db2.gz	JSPJCGSMGXKIEJ-HNNXBMFYSA-N	-1	3	375.425	1.573	50	0		GDAAHM
COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(S(C)(=O)=O)cc2)ccc1[O-]	ZINC000065549175	205237444	/nfs/dbraw/zinc/23/74/44/205237444.db2.gz	BAQHYHCVLRLQOW-UHFFFAOYSA-N	-1	3	399.446	1.407	50	0		GDAAHM
CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1ccnn1C	ZINC000067678576	205255291	/nfs/dbraw/zinc/25/52/91/205255291.db2.gz	ULTJRSHBRMXNMH-JTQLQIEISA-N	-1	3	384.483	1.255	50	0		GDAAHM
COc1ccc2cc([C@@H]3CN(C(=O)CN4CC(=O)[N-]C4=O)CCO3)ccc2c1	ZINC000071749222	205289961	/nfs/dbraw/zinc/28/99/61/205289961.db2.gz	IITGBPQFTCKWHH-KRWDZBQOSA-N	-1	3	383.404	1.300	50	0		GDAAHM
COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3-c3nnn[n-]3)CC2)c1	ZINC000072480021	205355923	/nfs/dbraw/zinc/35/59/23/205355923.db2.gz	HDUUIEBPZKUTTD-UHFFFAOYSA-N	-1	3	392.419	1.474	50	0		GDAAHM
COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3-c3nn[n-]n3)CC2)c1	ZINC000072480021	205355929	/nfs/dbraw/zinc/35/59/29/205355929.db2.gz	HDUUIEBPZKUTTD-UHFFFAOYSA-N	-1	3	392.419	1.474	50	0		GDAAHM
O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000079477876	205382688	/nfs/dbraw/zinc/38/26/88/205382688.db2.gz	YFPBZNPULMJTKP-SECBINFHSA-N	-1	3	382.302	1.293	50	0		GDAAHM
O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000079477876	205382693	/nfs/dbraw/zinc/38/26/93/205382693.db2.gz	YFPBZNPULMJTKP-SECBINFHSA-N	-1	3	382.302	1.293	50	0		GDAAHM
O=C(NCc1ccccc1-n1cccn1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095362067	205444081	/nfs/dbraw/zinc/44/40/81/205444081.db2.gz	PBYMITJQEWXTMP-UHFFFAOYSA-N	-1	3	375.388	1.859	50	0		GDAAHM
O=C1CCc2cc(Br)c(S(=O)(=O)[N-]CC3(O)CCC3)cc2N1	ZINC000095972864	205511564	/nfs/dbraw/zinc/51/15/64/205511564.db2.gz	YWZISPNKHPSDCR-UHFFFAOYSA-N	-1	3	389.271	1.527	50	0		GDAAHM
COc1cc(N2C[C@H](C(=O)Nc3ncccc3[O-])CC2=O)cc(OC)c1OC	ZINC000030516425	206079498	/nfs/dbraw/zinc/07/94/98/206079498.db2.gz	SNVULJJWBDIARN-LLVKDONJSA-N	-1	3	387.392	1.805	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(OC)ccc1OC	ZINC000032747391	206094763	/nfs/dbraw/zinc/09/47/63/206094763.db2.gz	CZGWWHOWUSWQFO-UHFFFAOYSA-N	-1	3	393.421	1.613	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C1CCN(c2nccs2)CC1	ZINC000096099847	206115866	/nfs/dbraw/zinc/11/58/66/206115866.db2.gz	JOOGPSCCRNAGGA-UHFFFAOYSA-N	-1	3	387.508	1.939	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1ccnc1-c1ncccn1	ZINC000096103920	206116330	/nfs/dbraw/zinc/11/63/30/206116330.db2.gz	ZWJDEKLYLOFNMJ-UHFFFAOYSA-N	-1	3	393.450	1.167	50	0		GDAAHM
CN1CCN(c2ncccc2CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000066344147	136164440	/nfs/dbraw/zinc/16/44/40/136164440.db2.gz	MYYWYKAUDPHSCI-UHFFFAOYSA-N	-1	3	377.448	1.605	50	0		GDAAHM
CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccnc(N3CCN(C)CC3)c2)c1	ZINC000151882845	136193648	/nfs/dbraw/zinc/19/36/48/136193648.db2.gz	PYMSIBJEYPTZQD-UHFFFAOYSA-N	-1	3	378.502	1.089	50	0		GDAAHM
COC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1nc2ncccn2n1	ZINC000000923987	570229866	/nfs/dbraw/zinc/22/98/66/570229866.db2.gz	XATWPVZEIYUYNC-UHFFFAOYSA-N	-1	3	388.409	1.235	50	0		GDAAHM
C[C@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc([O-])c(F)c1	ZINC000584901245	570270629	/nfs/dbraw/zinc/27/06/29/570270629.db2.gz	ZAAWJVKXRLOHCW-AWEZNQCLSA-N	-1	3	378.448	1.542	50	0		GDAAHM
COc1ccc(C)c2cc(CC[N-]S(=O)(=O)c3c(C)noc3C)c(=O)[nH]c12	ZINC000049597366	570270744	/nfs/dbraw/zinc/27/07/44/570270744.db2.gz	XTIADAJVMKOZGG-UHFFFAOYSA-N	-1	3	391.449	1.971	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000012885037	570284720	/nfs/dbraw/zinc/28/47/20/570284720.db2.gz	JZRFCHLCPRWGOK-JTQLQIEISA-N	-1	3	393.396	1.462	50	0		GDAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1F	ZINC000022226638	570307543	/nfs/dbraw/zinc/30/75/43/570307543.db2.gz	HLCUQZHNZJSUPM-CYBMUJFWSA-N	-1	3	388.443	1.864	50	0		GDAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1F	ZINC000022226641	570307627	/nfs/dbraw/zinc/30/76/27/570307627.db2.gz	HLCUQZHNZJSUPM-ZDUSSCGKSA-N	-1	3	388.443	1.864	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)nc(N2CCCC2)n1	ZINC000575607441	570329864	/nfs/dbraw/zinc/32/98/64/570329864.db2.gz	NLHCRMKAHPEEAQ-UHFFFAOYSA-N	-1	3	397.888	1.753	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(OC)n1	ZINC000575608899	570332012	/nfs/dbraw/zinc/33/20/12/570332012.db2.gz	YXIGQYILDFNEIO-UHFFFAOYSA-N	-1	3	378.332	1.386	50	0		GDAAHM
CCOC(=O)[C@@]([O-])(c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1)C(F)(F)F	ZINC000218489955	570335264	/nfs/dbraw/zinc/33/52/64/570335264.db2.gz	PWEFONIKRICGCM-INIZCTEOSA-N	-1	3	386.326	1.684	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccnc1-c1cnn(C)c1	ZINC000575618127	570362287	/nfs/dbraw/zinc/36/22/87/570362287.db2.gz	ISJHMUDKVQRKBX-UHFFFAOYSA-N	-1	3	392.462	1.809	50	0		GDAAHM
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)c(OC)c[n-]1	ZINC000604419433	570363479	/nfs/dbraw/zinc/36/34/79/570363479.db2.gz	OQJRRYYAVRZYLS-UHFFFAOYSA-N	-1	3	387.392	1.117	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(-c2cc[nH]n2)c1	ZINC000024886964	570397475	/nfs/dbraw/zinc/39/74/75/570397475.db2.gz	MJJZZMODJDMXQJ-NSHDSACASA-N	-1	3	389.437	1.987	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccc2cc[nH]c2c1	ZINC000012389886	570640725	/nfs/dbraw/zinc/64/07/25/570640725.db2.gz	YPFBUZRITACWMI-UHFFFAOYSA-N	-1	3	385.405	1.412	50	0		GDAAHM
Cc1nc(C)c(CC(=O)NCc2cccc(C(=O)N3CCCCC3)c2)c(=O)[n-]1	ZINC000032675699	570729177	/nfs/dbraw/zinc/72/91/77/570729177.db2.gz	VATLVYPWWOKLFJ-UHFFFAOYSA-N	-1	3	382.464	1.872	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1nnc2ccccc2c1=O	ZINC000238832142	570805614	/nfs/dbraw/zinc/80/56/14/570805614.db2.gz	GDZZWNSFAGRIMY-UHFFFAOYSA-N	-1	3	394.840	1.432	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCCc1c[nH]c2ccccc12	ZINC000014237949	570835129	/nfs/dbraw/zinc/83/51/29/570835129.db2.gz	TZZBDKQCLWLOCQ-UHFFFAOYSA-N	-1	3	390.465	1.800	50	0		GDAAHM
Cc1ccc(N2C[C@@H](C(=O)N3CCC(n4c([O-])coc4=O)CC3)CC2=O)cc1C	ZINC000240067916	570846307	/nfs/dbraw/zinc/84/63/07/570846307.db2.gz	SDRHKOZIJJXTQU-HNNXBMFYSA-N	-1	3	399.447	1.626	50	0		GDAAHM
Cc1nn(C)c(C)c1CN1CCC[C@@H](CNC(=O)c2c(C(=O)[O-])cnn2C)C1	ZINC000020617722	570952481	/nfs/dbraw/zinc/95/24/81/570952481.db2.gz	NSPNUVHUAFSRCN-AWEZNQCLSA-N	-1	3	388.472	1.111	50	0		GDAAHM
CN(C)c1ccnc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1	ZINC000211100199	570969837	/nfs/dbraw/zinc/96/98/37/570969837.db2.gz	MVSZIHQETWPPQI-UHFFFAOYSA-N	-1	3	376.360	1.920	50	0		GDAAHM
O=C(C=C1[N-]S(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2)CC1	ZINC000015678487	571044203	/nfs/dbraw/zinc/04/42/03/571044203.db2.gz	LXOIUXZTUQOXIY-UHFFFAOYSA-N	-1	3	384.461	1.747	50	0		GDAAHM
CC(C)CCN1C[C@]2(CCCN(C(=O)Cc3cc(=O)[n-]c(N)n3)C2)CCC1=O	ZINC000095513323	571083399	/nfs/dbraw/zinc/08/33/99/571083399.db2.gz	UJUXBHACBHBIGY-HXUWFJFHSA-N	-1	3	389.500	1.172	50	0		GDAAHM
Nc1nc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc(=O)[n-]1	ZINC000095525189	571089989	/nfs/dbraw/zinc/08/99/89/571089989.db2.gz	SYQSJPGPYPPECW-PWIZWCRZSA-N	-1	3	397.454	1.123	50	0		GDAAHM
Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426549233	231240315	/nfs/dbraw/zinc/24/03/15/231240315.db2.gz	YJMPOPCLBRCPPP-LBPRGKRZSA-N	-1	3	393.325	1.771	50	0		GDAAHM
Cc1cc(C(=O)NCc2ccccc2-n2cccn2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426440334	231222323	/nfs/dbraw/zinc/22/23/23/231222323.db2.gz	RSQCOFOVGWAPLH-UHFFFAOYSA-N	-1	3	390.403	1.458	50	0		GDAAHM
COc1cc(S(=O)(=O)[N-]CCCN2CCOCC2)c(OC)cc1Cl	ZINC000012869838	530557453	/nfs/dbraw/zinc/55/74/53/530557453.db2.gz	VZMLZJXRQGMTSA-UHFFFAOYSA-N	-1	3	378.878	1.358	50	0		GDAAHM
NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)s1	ZINC000012984555	530557609	/nfs/dbraw/zinc/55/76/09/530557609.db2.gz	UIGOPKJUGNECPE-UHFFFAOYSA-N	-1	3	384.863	1.667	50	0		GDAAHM
CN(NS(=O)(=O)c1ccc(Br)cc1)c1ccnc(=S)[n-]1	ZINC000018194577	530566818	/nfs/dbraw/zinc/56/68/18/530566818.db2.gz	GSNJPUZTLZKVOF-UHFFFAOYSA-N	-1	3	375.273	1.858	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccc(Cl)cc1	ZINC000031618475	530603177	/nfs/dbraw/zinc/60/31/77/530603177.db2.gz	QXFSSXSZGKBPCH-UHFFFAOYSA-N	-1	3	381.841	1.927	50	0		GDAAHM
Cc1ccc([C@H]2[C@@H](S(=O)(=O)[N-]CCCN3CCCC3=O)CON2C)s1	ZINC000034739355	530612291	/nfs/dbraw/zinc/61/22/91/530612291.db2.gz	JPPGCAKNCFHVEA-HOCLYGCPSA-N	-1	3	387.527	1.275	50	0		GDAAHM
CC[C@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1	ZINC000091935114	530810991	/nfs/dbraw/zinc/81/09/91/530810991.db2.gz	WJOKCUOQQLSTFT-INIZCTEOSA-N	-1	3	376.425	1.607	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@H]1CC[C@H](CO)CC1)CNCC2	ZINC000240517203	531055664	/nfs/dbraw/zinc/05/56/64/531055664.db2.gz	NWNSZYCDMCVSAD-XYPYZODXSA-N	-1	3	388.511	1.169	50	0		GDAAHM
COc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)cc1Cl	ZINC000264256283	531175881	/nfs/dbraw/zinc/17/58/81/531175881.db2.gz	CNWYXNPYNPPRBP-LBPRGKRZSA-N	-1	3	388.294	1.858	50	0		GDAAHM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]CCN3CCCC[C@H]3CO)cc2[nH]1	ZINC000670471895	531834285	/nfs/dbraw/zinc/83/42/85/531834285.db2.gz	JVELVUAYTPBANM-JTQLQIEISA-N	-1	3	388.877	1.047	50	0		GDAAHM
C[C@@H](NC(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1	ZINC000003502409	204010750	/nfs/dbraw/zinc/01/07/50/204010750.db2.gz	BVPKGNSZZUTTDT-CYBMUJFWSA-N	-1	3	381.388	1.523	50	0		GDAAHM
C[C@@H](OC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O)C(=O)NC1CC1	ZINC000007093506	204232239	/nfs/dbraw/zinc/23/22/39/204232239.db2.gz	DFSSWVCHQAOOJO-MGNBDDOMSA-N	-1	3	391.449	1.201	50	0		GDAAHM
O=C(CSC(=S)N1CCOCC1)[N-]c1nc(=O)c2ccccc2s1	ZINC000008994705	204297533	/nfs/dbraw/zinc/29/75/33/204297533.db2.gz	NYOYTWKLWXHCEJ-UHFFFAOYSA-N	-1	3	381.504	1.945	50	0		GDAAHM
NS(=O)(=O)c1cc2c(cc1F)N[C@H](c1ccc(Cl)cc1)[N-]S2(=O)=O	ZINC000008379197	204274430	/nfs/dbraw/zinc/27/44/30/204274430.db2.gz	AAYUWDTZXPRAHF-ZDUSSCGKSA-N	-1	3	391.833	1.529	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCc1ccnc(N2CCCC2)c1	ZINC000013002908	204476705	/nfs/dbraw/zinc/47/67/05/204476705.db2.gz	DOYQCUFRLZRPKF-UHFFFAOYSA-N	-1	3	379.420	1.414	50	0		GDAAHM
C[C@@H](CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)NC(=O)c1ccccc1	ZINC000040110991	205052819	/nfs/dbraw/zinc/05/28/19/205052819.db2.gz	LWDWVPWGCAEBRT-ZSEKCTLFSA-N	-1	3	394.431	1.888	50	0		GDAAHM
C[C@@]1(c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)NC(=O)[N-]C1=O	ZINC000047167082	205109719	/nfs/dbraw/zinc/10/97/19/205109719.db2.gz	FHVOCOXNPHGDBU-SFHVURJKSA-N	-1	3	387.417	1.397	50	0		GDAAHM
O=c1[n-]nc(SC[C@@H]2CNC(c3ccccc3)=NO2)n1C[C@@H]1CCCO1	ZINC000057745302	205161659	/nfs/dbraw/zinc/16/16/59/205161659.db2.gz	SAADLTCZHNGBPT-KBPBESRZSA-N	-1	3	375.454	1.193	50	0		GDAAHM
O=C([O-])c1n[nH]cc1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1	ZINC000067774515	205261073	/nfs/dbraw/zinc/26/10/73/205261073.db2.gz	SEHYNPKTSCLRJW-UHFFFAOYSA-N	-1	3	382.424	1.421	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccnc1Oc1ccc(F)c(F)c1	ZINC000067847579	205263454	/nfs/dbraw/zinc/26/34/54/205263454.db2.gz	VAURVYKGOOUSCV-ZDUSSCGKSA-N	-1	3	376.319	1.366	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1	ZINC000067515477	205248118	/nfs/dbraw/zinc/24/81/18/205248118.db2.gz	WPBNDDDWOBIBOU-OAHLLOKOSA-N	-1	3	393.447	1.326	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)CN1CCN(Cc2ccccn2)CC1	ZINC000071282017	205279452	/nfs/dbraw/zinc/27/94/52/205279452.db2.gz	LKKQNMBGLIZXFX-INIZCTEOSA-N	-1	3	398.463	1.634	50	0		GDAAHM
CCOC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1oc(CO)cc(=O)c1[O-]	ZINC000071279151	205280140	/nfs/dbraw/zinc/28/01/40/205280140.db2.gz	KVLHEYKVEUOBMZ-AWEZNQCLSA-N	-1	3	376.361	1.709	50	0		GDAAHM
Cc1cc(=O)[n-]c([C@H](C)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)n1	ZINC000084114330	205392201	/nfs/dbraw/zinc/39/22/01/205392201.db2.gz	LYRRCHYOWXNCTN-GJZGRUSLSA-N	-1	3	387.459	1.923	50	0		GDAAHM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000096025791	206114023	/nfs/dbraw/zinc/11/40/23/206114023.db2.gz	ACBXROHQHFRKFU-CQSZACIVSA-N	-1	3	377.388	1.765	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CC1CCN(c2ncc(F)cn2)CC1	ZINC000245020793	206132671	/nfs/dbraw/zinc/13/26/71/206132671.db2.gz	MHEZFFXOZCGPGV-UHFFFAOYSA-N	-1	3	398.435	1.958	50	0		GDAAHM
COc1ccc(F)cc1[C@@H](NC(=O)Cc1c[nH]c(=O)[n-]c1=O)[C@H]1C[C@@H](O)C1	ZINC000253534863	206150020	/nfs/dbraw/zinc/15/00/20/206150020.db2.gz	MFRDNZCKAIFQHP-DUZHOBMZSA-N	-1	3	377.372	1.206	50	0		GDAAHM
COc1ccc(C(=O)[N-]n2cnc3c(cnn3-c3ccccc3)c2=O)c(OC)c1	ZINC000010034391	221096210	/nfs/dbraw/zinc/09/62/10/221096210.db2.gz	LQKFXOADGISRKN-UHFFFAOYSA-N	-1	3	391.387	1.983	50	0		GDAAHM
O=C(Nc1ncccc1[O-])c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1	ZINC000058191218	136154971	/nfs/dbraw/zinc/15/49/71/136154971.db2.gz	SNICDEGYQXBXQY-CABCVRRESA-N	-1	3	378.388	2.000	50	0		GDAAHM
COc1cc(Cl)cc(CN2CCN(c3cc(=O)[n-]c(N)n3)CC2)c1OC	ZINC000065468268	136164096	/nfs/dbraw/zinc/16/40/96/136164096.db2.gz	AHKYUQNVHXQWRI-UHFFFAOYSA-N	-1	3	379.848	1.345	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000072165660	136167223	/nfs/dbraw/zinc/16/72/23/136167223.db2.gz	KEEXLGZTDJRMJJ-QGZVFWFLSA-N	-1	3	385.443	1.336	50	0		GDAAHM
COc1ccccc1[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)[O-]	ZINC000091907411	136177324	/nfs/dbraw/zinc/17/73/24/136177324.db2.gz	DBXXAZXERKRJHS-ZWKOTPCHSA-N	-1	3	398.463	1.622	50	0		GDAAHM
CN(C[C@H]1CCCN1C)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096149511	136184567	/nfs/dbraw/zinc/18/45/67/136184567.db2.gz	OHRBIGWLVVRVAZ-CQSZACIVSA-N	-1	3	377.489	1.206	50	0		GDAAHM
O=C1[N-]C(=O)[C@@H](Cc2nc(C3CCOCC3)nn2-c2ccc3c(c2)CCC3)N1	ZINC000096140041	570212630	/nfs/dbraw/zinc/21/26/30/570212630.db2.gz	BTVUKHMCQNJVDA-MRXNPFEDSA-N	-1	3	381.436	1.401	50	0		GDAAHM
C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc([O-])c(F)c1	ZINC000584901246	570270860	/nfs/dbraw/zinc/27/08/60/570270860.db2.gz	ZAAWJVKXRLOHCW-CQSZACIVSA-N	-1	3	378.448	1.542	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1cccc2ccccc21	ZINC000015881204	570282921	/nfs/dbraw/zinc/28/29/21/570282921.db2.gz	LINMZZXTEOENQL-UHFFFAOYSA-N	-1	3	395.444	1.996	50	0		GDAAHM
COC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000022625047	570323812	/nfs/dbraw/zinc/32/38/12/570323812.db2.gz	FRSNXJLXLMEFLE-WMLDXEAASA-N	-1	3	394.468	1.866	50	0		GDAAHM
O=C(CN1CCN(Cc2nc3ccsc3c(=O)[n-]2)CC1)N1CCCCCC1	ZINC000022779138	570327068	/nfs/dbraw/zinc/32/70/68/570327068.db2.gz	BLCHBBNTKHTUNB-UHFFFAOYSA-N	-1	3	389.525	1.505	50	0		GDAAHM
CN(C)CCN(CC(=O)[O-])C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1	ZINC000237150019	570330096	/nfs/dbraw/zinc/33/00/96/570330096.db2.gz	YDQFBTLSSVVVAV-UHFFFAOYSA-N	-1	3	391.859	1.887	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](OCCO)c1ccsc1	ZINC000575621762	570370447	/nfs/dbraw/zinc/37/04/47/570370447.db2.gz	TZKVCRJGGDTAIW-LLVKDONJSA-N	-1	3	391.492	1.625	50	0		GDAAHM
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C)cc2[O-])cc1	ZINC000012981648	570406653	/nfs/dbraw/zinc/40/66/53/570406653.db2.gz	KAXGKYMBJYECOK-UHFFFAOYSA-N	-1	3	391.449	1.042	50	0		GDAAHM
CC(=O)N1c2ccc(S(=O)(=O)NN=c3nc(C)cc(C)[n-]3)cc2C[C@@H]1C	ZINC000028686525	570463166	/nfs/dbraw/zinc/46/31/66/570463166.db2.gz	XKPOCDPEZIONEK-LBPRGKRZSA-N	-1	3	375.454	1.696	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1nc2ccccc2[nH]1	ZINC000012628888	570692401	/nfs/dbraw/zinc/69/24/01/570692401.db2.gz	XDKGFPHFJOHMOG-LBPRGKRZSA-N	-1	3	390.440	1.728	50	0		GDAAHM
Cc1cc(NC(=O)[C@H](OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc2)no1	ZINC000012792275	570714721	/nfs/dbraw/zinc/71/47/21/570714721.db2.gz	WGFRPQQSWQQKGA-SWLSCSKDSA-N	-1	3	386.364	1.194	50	0		GDAAHM
Nc1nc([O-])c([C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)s1	ZINC000017879014	570718085	/nfs/dbraw/zinc/71/80/85/570718085.db2.gz	LYDWKMCIKMQRKP-CBSFFSNJSA-N	-1	3	379.441	1.891	50	0		GDAAHM
Nc1nc([O-])c([C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)s1	ZINC000017878453	570718202	/nfs/dbraw/zinc/71/82/02/570718202.db2.gz	JZGQKDJZKCQRHQ-JXFKEZNVSA-N	-1	3	381.457	1.810	50	0		GDAAHM
COc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)N1CCCC1	ZINC000018182694	570807880	/nfs/dbraw/zinc/80/78/80/570807880.db2.gz	UACOBNQRZKHYGO-UHFFFAOYSA-N	-1	3	385.449	1.832	50	0		GDAAHM
COc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)N1CCCC1	ZINC000018182694	570807886	/nfs/dbraw/zinc/80/78/86/570807886.db2.gz	UACOBNQRZKHYGO-UHFFFAOYSA-N	-1	3	385.449	1.832	50	0		GDAAHM
CCOc1nccn2c(C[N-]S(=O)(=O)c3cccc4nsnc43)nnc12	ZINC000238881129	570810213	/nfs/dbraw/zinc/81/02/13/570810213.db2.gz	PGXQHXFCIJZAGH-UHFFFAOYSA-N	-1	3	391.438	1.006	50	0		GDAAHM
COc1ccc(C2=NOC3=C([O-])N(c4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1OC	ZINC000101290342	570818439	/nfs/dbraw/zinc/81/84/39/570818439.db2.gz	KBYHOWUYOATSFP-AEFFLSMTSA-N	-1	3	396.355	1.725	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc2c(c1)OCO2	ZINC000031618411	570818524	/nfs/dbraw/zinc/81/85/24/570818524.db2.gz	YLMRYQVLLIKPPC-UHFFFAOYSA-N	-1	3	377.378	1.324	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)n2nc(NCc3c(F)cccc3Cl)[n-]c2n1	ZINC000101484042	570824491	/nfs/dbraw/zinc/82/44/91/570824491.db2.gz	DDCVUXKXBCXJTG-UHFFFAOYSA-N	-1	3	379.779	1.928	50	0		GDAAHM
C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000091474591	571010289	/nfs/dbraw/zinc/01/02/89/571010289.db2.gz	KYVVCASKAKXPFE-FQEVSTJZSA-N	-1	3	385.420	1.206	50	0		GDAAHM
Cc1nc(N)nc(NCC2(N3CCOCC3)CCCCC2)c1CCC(=O)[O-]	ZINC000095380371	571067104	/nfs/dbraw/zinc/06/71/04/571067104.db2.gz	YUTRUWPHCOECCP-UHFFFAOYSA-N	-1	3	377.489	1.831	50	0		GDAAHM
CCOc1cc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)ccc1OC	ZINC000095391272	571072703	/nfs/dbraw/zinc/07/27/03/571072703.db2.gz	VWRBEOYYDDZXOP-HNNXBMFYSA-N	-1	3	376.453	1.991	50	0		GDAAHM
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2[O-])CN1C1CCOCC1	ZINC000095506873	571079594	/nfs/dbraw/zinc/07/95/94/571079594.db2.gz	WYTXHTVMZFTYGJ-YOEHRIQHSA-N	-1	3	375.469	1.188	50	0		GDAAHM
Cc1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426597395	231245566	/nfs/dbraw/zinc/24/55/66/231245566.db2.gz	KUOQNGYYGQJGNE-CYBMUJFWSA-N	-1	3	384.440	1.384	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cccc(Cn2cccn2)c1	ZINC000025134083	530580336	/nfs/dbraw/zinc/58/03/36/530580336.db2.gz	IUBNHEIJASYIRX-UHFFFAOYSA-N	-1	3	376.463	1.910	50	0		GDAAHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCN(C)C(=O)C1	ZINC000170616372	530586847	/nfs/dbraw/zinc/58/68/47/530586847.db2.gz	YOGNNHLXJRVSLM-QMMMGPOBSA-N	-1	3	395.250	1.496	50	0		GDAAHM
CCO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000048234442	530667127	/nfs/dbraw/zinc/66/71/27/530667127.db2.gz	FLYOKNUNHBSHHI-LLVKDONJSA-N	-1	3	391.287	1.918	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1	ZINC000530077955	531386717	/nfs/dbraw/zinc/38/67/17/531386717.db2.gz	XLPZZIQWWKYIAU-PWSUYJOCSA-N	-1	3	382.467	1.274	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1N1CCOCC1	ZINC000002655793	206427522	/nfs/dbraw/zinc/42/75/22/206427522.db2.gz	KRVDDEXNWPWVDK-UHFFFAOYSA-N	-1	3	380.404	1.165	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccccc2OC)CC1	ZINC000017306796	207087558	/nfs/dbraw/zinc/08/75/58/207087558.db2.gz	WOLLWEDAJGATIG-UHFFFAOYSA-N	-1	3	394.453	1.106	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1	ZINC000017306796	207087559	/nfs/dbraw/zinc/08/75/59/207087559.db2.gz	WOLLWEDAJGATIG-UHFFFAOYSA-N	-1	3	394.453	1.106	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3nnnn3-c3ccccc3)CC2)on1	ZINC000026204938	207309702	/nfs/dbraw/zinc/30/97/02/207309702.db2.gz	GPBCGLDRQQSDLB-AWEZNQCLSA-N	-1	3	382.428	1.108	50	0		GDAAHM
CSc1nc2nc(C)c3c(ccn(-c4nnc(C(F)(F)F)[n-]4)c3=O)n2n1	ZINC000072437324	208027561	/nfs/dbraw/zinc/02/75/61/208027561.db2.gz	VPSHLSIJITZBRY-UHFFFAOYSA-N	-1	3	382.331	1.596	50	0		GDAAHM
CSc1nc2nc(C)c3c(ccn(-c4n[n-]c(C(F)(F)F)n4)c3=O)n2n1	ZINC000072437324	208027566	/nfs/dbraw/zinc/02/75/66/208027566.db2.gz	VPSHLSIJITZBRY-UHFFFAOYSA-N	-1	3	382.331	1.596	50	0		GDAAHM
CSc1nc2nc(C)c3c(ccn(-c4nc(C(F)(F)F)n[n-]4)c3=O)n2n1	ZINC000072437324	208027573	/nfs/dbraw/zinc/02/75/73/208027573.db2.gz	VPSHLSIJITZBRY-UHFFFAOYSA-N	-1	3	382.331	1.596	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCN1CCCCCC1=O	ZINC000078239612	208064042	/nfs/dbraw/zinc/06/40/42/208064042.db2.gz	QBJNBFCCRIXTHF-UHFFFAOYSA-N	-1	3	387.527	1.325	50	0		GDAAHM
Cc1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1	ZINC000091849008	208139697	/nfs/dbraw/zinc/13/96/97/208139697.db2.gz	PBLFPSZWKRXCFA-UXHICEINSA-N	-1	3	387.524	1.867	50	0		GDAAHM
Cn1cc(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=O	ZINC000091327148	208114637	/nfs/dbraw/zinc/11/46/37/208114637.db2.gz	UJAFIGBBOARBRJ-HXUWFJFHSA-N	-1	3	385.420	1.287	50	0		GDAAHM
O=C(NCc1ccccc1-n1cncn1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095372361	208166964	/nfs/dbraw/zinc/16/69/64/208166964.db2.gz	SMHPRFHIKPHQOQ-UHFFFAOYSA-N	-1	3	376.376	1.254	50	0		GDAAHM
Cn1ncnc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000095403735	208179310	/nfs/dbraw/zinc/17/93/10/208179310.db2.gz	FDQCWPNVHFGXFW-UHFFFAOYSA-N	-1	3	389.412	1.685	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)Nc1c[nH]cc(Br)c1=O	ZINC000095446447	208184397	/nfs/dbraw/zinc/18/43/97/208184397.db2.gz	ZVVGHXBSPRYYOX-UHFFFAOYSA-N	-1	3	392.256	1.116	50	0		GDAAHM
Cc1ncc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c(=O)[n-]1	ZINC000095511784	208213852	/nfs/dbraw/zinc/21/38/52/208213852.db2.gz	QMWBLPKCZKNYNU-MRXNPFEDSA-N	-1	3	378.436	1.738	50	0		GDAAHM
COCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccco1	ZINC000097105769	208335282	/nfs/dbraw/zinc/33/52/82/208335282.db2.gz	AWKPEWZJEFEYLJ-OAHLLOKOSA-N	-1	3	377.422	1.975	50	0		GDAAHM
CN1CCC(Cc2nc([C@@H]3CC(=O)OC34CCCC4)n(CC(=O)[O-])n2)CC1	ZINC000097675421	208362336	/nfs/dbraw/zinc/36/23/36/208362336.db2.gz	MIJWCWXHENTRNX-AWEZNQCLSA-N	-1	3	376.457	1.590	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCc1nnc(Cc2cccc(F)c2)[nH]1	ZINC000064969787	209002611	/nfs/dbraw/zinc/00/26/11/209002611.db2.gz	BOEXEYGXRNYSNK-UHFFFAOYSA-N	-1	3	379.417	1.660	50	0		GDAAHM
Cc1cc(=NC(=O)c2cc3cc(F)ccc3n2C)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159165	209095328	/nfs/dbraw/zinc/09/53/28/209095328.db2.gz	KDPSCPDBTQABKI-CQSZACIVSA-N	-1	3	390.440	1.856	50	0		GDAAHM
CC(C)CN1CCn2nc(CNC(=O)c3[n-]c(=O)nc4ccccc43)cc2C1	ZINC000299790395	209089076	/nfs/dbraw/zinc/08/90/76/209089076.db2.gz	BMLGRXLGZVTWMY-UHFFFAOYSA-N	-1	3	380.452	1.934	50	0		GDAAHM
COc1ccc(C(=O)N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)c([O-])c1	ZINC000299773408	209087513	/nfs/dbraw/zinc/08/75/13/209087513.db2.gz	AJMRQKDLJYSICG-NVXWUHKLSA-N	-1	3	377.466	1.531	50	0		GDAAHM
CN1CCN([C@H]2CCN(c3cnc4ccccc4n3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091410405	536418325	/nfs/dbraw/zinc/41/83/25/536418325.db2.gz	MVLSNQSIGJYMIH-APWZRJJASA-N	-1	3	383.496	1.937	50	0		GDAAHM
CCc1cc(N2CCC[C@@H](NC(=O)c3nnc4ccccc4c3[O-])C2)ncn1	ZINC000112507655	570253613	/nfs/dbraw/zinc/25/36/13/570253613.db2.gz	BNSRCFFLVFPXTE-CQSZACIVSA-N	-1	3	378.436	1.674	50	0		GDAAHM
CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1c2ccccc2[nH]c1=O	ZINC000215387739	570288365	/nfs/dbraw/zinc/28/83/65/570288365.db2.gz	YEPXCMIBGHUIDN-UHFFFAOYSA-N	-1	3	377.408	1.558	50	0		GDAAHM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1c2ccccc2[nH]c1=O	ZINC000215387739	570288367	/nfs/dbraw/zinc/28/83/67/570288367.db2.gz	YEPXCMIBGHUIDN-UHFFFAOYSA-N	-1	3	377.408	1.558	50	0		GDAAHM
O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1ccncc1	ZINC000002863586	570312044	/nfs/dbraw/zinc/31/20/44/570312044.db2.gz	GOAVBTHFWQVVQW-HNNXBMFYSA-N	-1	3	379.298	1.217	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](OCCO)c1cccs1	ZINC000575618785	570364804	/nfs/dbraw/zinc/36/48/04/570364804.db2.gz	CLIANOYJCBYCQO-ZDUSSCGKSA-N	-1	3	375.443	1.924	50	0		GDAAHM
Cc1cc(NC(=O)CN2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)no1	ZINC000022838714	570555467	/nfs/dbraw/zinc/55/54/67/570555467.db2.gz	TZXWVTHQTDKVHC-UHFFFAOYSA-N	-1	3	388.453	1.037	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)Nc2ccc(C(C)(C)C)cc2)c1	ZINC000206633872	570632656	/nfs/dbraw/zinc/63/26/56/570632656.db2.gz	MELMKDKDWBYFPI-UHFFFAOYSA-N	-1	3	379.486	1.818	50	0		GDAAHM
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+]1CCc3nc(C)[n-]c(=O)c3CC1)C2	ZINC000067966526	570799126	/nfs/dbraw/zinc/79/91/26/570799126.db2.gz	MMXBJWJZDRYZBO-CYBMUJFWSA-N	-1	3	385.468	1.341	50	0		GDAAHM
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+]1CCc3nc(C)[n-]c(=O)c3CC1)C2	ZINC000067966526	570799128	/nfs/dbraw/zinc/79/91/28/570799128.db2.gz	MMXBJWJZDRYZBO-CYBMUJFWSA-N	-1	3	385.468	1.341	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCc1ccc(OC)cc1	ZINC000031618427	570818335	/nfs/dbraw/zinc/81/83/35/570818335.db2.gz	NLJAXFCZARTUQI-UHFFFAOYSA-N	-1	3	391.449	1.325	50	0		GDAAHM
CC(C)[C@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CCCN1Cc1ccc(F)cc1	ZINC000071753522	570847929	/nfs/dbraw/zinc/84/79/29/570847929.db2.gz	GJEVFPAYSBOGHT-QGZVFWFLSA-N	-1	3	388.443	1.987	50	0		GDAAHM
C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)C1=O	ZINC000170625698	570883011	/nfs/dbraw/zinc/88/30/11/570883011.db2.gz	MXHCYYDXOXGEAO-INIZCTEOSA-N	-1	3	395.341	1.869	50	0		GDAAHM
C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)C1=O	ZINC000170625698	570883013	/nfs/dbraw/zinc/88/30/13/570883013.db2.gz	MXHCYYDXOXGEAO-INIZCTEOSA-N	-1	3	395.341	1.869	50	0		GDAAHM
Cc1nn2c(nnc2SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O	ZINC000004251384	570934852	/nfs/dbraw/zinc/93/48/52/570934852.db2.gz	WJUXFVMRWYSDOX-UHFFFAOYSA-N	-1	3	384.343	1.871	50	0		GDAAHM
CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000083881793	570974733	/nfs/dbraw/zinc/97/47/33/570974733.db2.gz	QLCQVFVWLPFJTR-CQSZACIVSA-N	-1	3	383.445	1.007	50	0		GDAAHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1OC	ZINC000016626622	570987151	/nfs/dbraw/zinc/98/71/51/570987151.db2.gz	PHPUQAGJDBHEIA-UHFFFAOYSA-N	-1	3	378.406	1.627	50	0		GDAAHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(SC)[n-]c(=O)c32)c(OC)c1	ZINC000046073852	571019069	/nfs/dbraw/zinc/01/90/69/571019069.db2.gz	LBKWXUCXIBDOGY-VIFPVBQESA-N	-1	3	390.421	1.574	50	0		GDAAHM
CO[C@@H](CS(=O)(=O)[N-]c1nccc(C)c1Br)[C@@H]1CCOC1	ZINC000656741502	654053917	/nfs/dbraw/zinc/05/39/17/654053917.db2.gz	OYBSCTYTVSLZHF-MNOVXSKESA-N	-1	3	379.276	1.946	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1	ZINC000002492562	530531736	/nfs/dbraw/zinc/53/17/36/530531736.db2.gz	WVRQOQJSZFECDT-LBPRGKRZSA-N	-1	3	395.384	1.177	50	0		GDAAHM
C[C@@H](CCc1ccccc1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000008775209	530550640	/nfs/dbraw/zinc/55/06/40/530550640.db2.gz	CNAXERTZYWXRKV-NSHDSACASA-N	-1	3	380.242	1.437	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)NCCc1ccc2c(c1)OCO2	ZINC000032741218	530609077	/nfs/dbraw/zinc/60/90/77/530609077.db2.gz	HKXLQDWMBJKPHC-UHFFFAOYSA-N	-1	3	382.463	1.504	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC1CCOCC1	ZINC000064997664	530752911	/nfs/dbraw/zinc/75/29/11/530752911.db2.gz	BXZYHLYYRYXBBL-JTQLQIEISA-N	-1	3	380.388	1.667	50	0		GDAAHM
COc1ccc(OC)c([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1	ZINC000226306001	206258400	/nfs/dbraw/zinc/25/84/00/206258400.db2.gz	OVGMYDZPIPGWKX-BDXSIMOUSA-N	-1	3	396.399	1.607	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](O)c1ccc2c(c1)OCCO2	ZINC000239846197	206280282	/nfs/dbraw/zinc/28/02/82/206280282.db2.gz	KYYNJADHRBVMNJ-NSHDSACASA-N	-1	3	399.446	1.318	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1	ZINC000009389963	206786258	/nfs/dbraw/zinc/78/62/58/206786258.db2.gz	VJENDAIKEPUZHW-CYBMUJFWSA-N	-1	3	381.388	1.036	50	0		GDAAHM
COc1ccc(Br)cc1CN(C)C(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000014113396	207011418	/nfs/dbraw/zinc/01/14/18/207011418.db2.gz	OHKQXCSDDABMLM-LLVKDONJSA-N	-1	3	384.230	1.404	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)N1CCCc2ccccc21	ZINC000015881201	207066539	/nfs/dbraw/zinc/06/65/39/207066539.db2.gz	MEDDWTBBWKLLNB-UHFFFAOYSA-N	-1	3	385.449	1.596	50	0		GDAAHM
Nc1nc([O-])c([C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)s1	ZINC000017878450	207090844	/nfs/dbraw/zinc/09/08/44/207090844.db2.gz	JZGQKDJZKCQRHQ-OXJNMPFZSA-N	-1	3	381.457	1.810	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	ZINC000021326957	207228839	/nfs/dbraw/zinc/22/88/39/207228839.db2.gz	XXZDYWKJDYIGKK-UHFFFAOYSA-N	-1	3	375.381	1.219	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	ZINC000021326957	207228841	/nfs/dbraw/zinc/22/88/41/207228841.db2.gz	XXZDYWKJDYIGKK-UHFFFAOYSA-N	-1	3	375.381	1.219	50	0		GDAAHM
Cc1nn(-c2ccccc2)nc1C[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCO2	ZINC000026377456	207312950	/nfs/dbraw/zinc/31/29/50/207312950.db2.gz	MPNCEMLLUYMIFN-UHFFFAOYSA-N	-1	3	399.476	1.883	50	0		GDAAHM
CC[C@H](C)NC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000028800277	207347905	/nfs/dbraw/zinc/34/79/05/207347905.db2.gz	GCIRFJCITXINEC-VIFPVBQESA-N	-1	3	397.280	1.730	50	0		GDAAHM
NS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc21	ZINC000040150867	207352666	/nfs/dbraw/zinc/35/26/66/207352666.db2.gz	NNQBYTZYGWRSNB-UHFFFAOYSA-N	-1	3	393.490	1.542	50	0		GDAAHM
O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077518594	208049401	/nfs/dbraw/zinc/04/94/01/208049401.db2.gz	NZWHFHNINOBOGN-MSOLQXFVSA-N	-1	3	386.473	1.516	50	0		GDAAHM
Cc1c([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cnn1-c1ccc(F)cc1F	ZINC000091518992	208122772	/nfs/dbraw/zinc/12/27/72/208122772.db2.gz	FQOFEYVVFYRVAB-VIFPVBQESA-N	-1	3	377.351	1.188	50	0		GDAAHM
Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cs1	ZINC000091769078	208134611	/nfs/dbraw/zinc/13/46/11/208134611.db2.gz	YRBKQMDMZZSNAT-WBVHZDCISA-N	-1	3	379.526	1.999	50	0		GDAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1	ZINC000091321536	208113471	/nfs/dbraw/zinc/11/34/71/208113471.db2.gz	KASCKDVZSUIXCM-MRXNPFEDSA-N	-1	3	398.463	1.016	50	0		GDAAHM
O=C([O-])[C@H]1CC(=O)NC12CCN(CCC(=O)N1CCc3ccccc3C1)CC2	ZINC000095366768	208164977	/nfs/dbraw/zinc/16/49/77/208164977.db2.gz	DUDAUMQNDHTPES-QGZVFWFLSA-N	-1	3	385.464	1.017	50	0		GDAAHM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cccc(Cn3cccn3)c1)CC2	ZINC000095374069	208168610	/nfs/dbraw/zinc/16/86/10/208168610.db2.gz	XCTATNRSXFDNGZ-SFHVURJKSA-N	-1	3	382.464	1.829	50	0		GDAAHM
CCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)C1	ZINC000095522331	208220755	/nfs/dbraw/zinc/22/07/55/208220755.db2.gz	AIGVSVWVXGUGGU-GFCCVEGCSA-N	-1	3	381.458	1.040	50	0		GDAAHM
COc1ccccc1CN1CCN(C)[C@]2(C1)CCC(=O)N(CC(=O)[O-])CC2	ZINC000230202904	209006210	/nfs/dbraw/zinc/00/62/10/209006210.db2.gz	SUKOLOFTCUQKJK-HXUWFJFHSA-N	-1	3	375.469	1.279	50	0		GDAAHM
O=c1cc(CO)oc(C(c2ccsc2)c2oc(CO)cc(=O)c2O)c1[O-]	ZINC000096115365	209010954	/nfs/dbraw/zinc/01/09/54/209010954.db2.gz	YBQLDEHYRGXVKZ-UHFFFAOYSA-N	-1	3	378.358	1.231	50	0	biogenic	GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCS[C@H]2COCC[C@H]21	ZINC000242156005	209022141	/nfs/dbraw/zinc/02/21/41/209022141.db2.gz	WVADLPGBKCEJQJ-HIFRSBDPSA-N	-1	3	391.424	1.220	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCS[C@H]2COCC[C@H]21	ZINC000242156005	209022146	/nfs/dbraw/zinc/02/21/46/209022146.db2.gz	WVADLPGBKCEJQJ-HIFRSBDPSA-N	-1	3	391.424	1.220	50	0		GDAAHM
COc1ccc([C@@H](NC(=O)c2ccccc2-c2nnn[n-]2)[C@H]2C[C@@H](O)C2)cn1	ZINC000244893065	209023885	/nfs/dbraw/zinc/02/38/85/209023885.db2.gz	YUWBHECZVJZUEO-IIYDPXPESA-N	-1	3	380.408	1.512	50	0		GDAAHM
COc1ccc([C@@H](NC(=O)c2ccccc2-c2nn[n-]n2)[C@H]2C[C@@H](O)C2)cn1	ZINC000244893065	209023889	/nfs/dbraw/zinc/02/38/89/209023889.db2.gz	YUWBHECZVJZUEO-IIYDPXPESA-N	-1	3	380.408	1.512	50	0		GDAAHM
C[C@@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2c([O-])cccc21	ZINC000170597395	136198767	/nfs/dbraw/zinc/19/87/67/136198767.db2.gz	AXMWTEICYNAPIZ-LLVKDONJSA-N	-1	3	380.404	1.492	50	0		GDAAHM
O=C([O-])c1sccc1NC(=O)CCN1CCCN(c2ncccn2)CC1	ZINC000299764723	209085518	/nfs/dbraw/zinc/08/55/18/209085518.db2.gz	DDQQXYLCNOZXMB-UHFFFAOYSA-N	-1	3	375.454	1.777	50	0		GDAAHM
Cc1cc(C(=O)NCc2nc3ccccc3n2C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426425466	534062505	/nfs/dbraw/zinc/06/25/05/534062505.db2.gz	PRYYLVLHBCSQFU-UHFFFAOYSA-N	-1	3	378.392	1.159	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C)ccc2[O-])CC1	ZINC000010661357	570215536	/nfs/dbraw/zinc/21/55/36/570215536.db2.gz	SHXBDLZPSZBPDR-UHFFFAOYSA-N	-1	3	379.438	1.452	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2cccc(F)c2)nc(N2CCCCC2)n1	ZINC000575608498	570331614	/nfs/dbraw/zinc/33/16/14/570331614.db2.gz	UXVIHPPBZSLYIE-UHFFFAOYSA-N	-1	3	394.476	1.546	50	0		GDAAHM
COc1ccc(C(=O)NCc2c3c(c([O-])c4c2CCN(C)C4=O)OCO3)cc1	ZINC000604404526	570361475	/nfs/dbraw/zinc/36/14/75/570361475.db2.gz	OWVJQRRGKCAXDB-UHFFFAOYSA-N	-1	3	384.388	1.688	50	0	biogenic	GDAAHM
Cc1nc(S(=O)(=O)[N-]CCNc2ccc(-c3ccc(F)cc3)nn2)cn1C	ZINC000004302244	570366904	/nfs/dbraw/zinc/36/69/04/570366904.db2.gz	QMICZDNCSDODGG-UHFFFAOYSA-N	-1	3	390.444	1.715	50	0		GDAAHM
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NN3CC(=O)[N-]C3=O)cc12	ZINC000013006988	570415493	/nfs/dbraw/zinc/41/54/93/570415493.db2.gz	UZUDGUGQROZETP-UHFFFAOYSA-N	-1	3	387.396	1.790	50	0		GDAAHM
O=C(CSc1c[nH]c(=O)[n-]c1=O)Nc1cc(Cl)ccc1N1CCOCC1	ZINC000072242767	570416501	/nfs/dbraw/zinc/41/65/01/570416501.db2.gz	VGQWZZSUPKHBRE-UHFFFAOYSA-N	-1	3	396.856	1.284	50	0		GDAAHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000248028911	570435803	/nfs/dbraw/zinc/43/58/03/570435803.db2.gz	NKJHOUHWBHYJQQ-AJNGGQMLSA-N	-1	3	385.530	1.065	50	0	biogenic	GDAAHM
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)c(F)c2)n1	ZINC000248143408	570440717	/nfs/dbraw/zinc/44/07/17/570440717.db2.gz	RDVOFKONPDDQRG-ZDUSSCGKSA-N	-1	3	387.415	1.794	50	0		GDAAHM
COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)o1	ZINC000002720199	570508307	/nfs/dbraw/zinc/50/83/07/570508307.db2.gz	JRYZXPXBMNTMLS-GFCCVEGCSA-N	-1	3	394.453	1.889	50	0		GDAAHM
O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000015085477	570562568	/nfs/dbraw/zinc/56/25/68/570562568.db2.gz	YNPZLXPEYIEMDJ-UHFFFAOYSA-N	-1	3	380.397	1.805	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1	ZINC000003365010	570604281	/nfs/dbraw/zinc/60/42/81/570604281.db2.gz	GEWDAGVCGKSJCB-UHFFFAOYSA-N	-1	3	396.387	1.456	50	0		GDAAHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000012322768	570642687	/nfs/dbraw/zinc/64/26/87/570642687.db2.gz	PUHWEBXAXKBHLD-AWEZNQCLSA-N	-1	3	397.435	1.833	50	0		GDAAHM
Cc1cc(NC(=O)[C@@H](OC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c2ccccc2)no1	ZINC000012792271	570714415	/nfs/dbraw/zinc/71/44/15/570714415.db2.gz	WGFRPQQSWQQKGA-WFASDCNBSA-N	-1	3	386.364	1.194	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1c[nH]c2ccccc12	ZINC000013690425	570775659	/nfs/dbraw/zinc/77/56/59/570775659.db2.gz	KRZZDEVMZDDBOZ-UHFFFAOYSA-N	-1	3	385.405	1.412	50	0		GDAAHM
Cc1nc2c(c(=O)[n-]1)CN(c1ccc(C(=O)NCc3noc(C(C)C)n3)cn1)C2	ZINC000067642868	570784775	/nfs/dbraw/zinc/78/47/75/570784775.db2.gz	QAJCXOYVPZQZSC-UHFFFAOYSA-N	-1	3	395.423	1.430	50	0		GDAAHM
CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CCCN(Cc3ccco3)C1)C2	ZINC000067654862	570785539	/nfs/dbraw/zinc/78/55/39/570785539.db2.gz	LRAOLROUPZQMAO-AWEZNQCLSA-N	-1	3	386.452	1.991	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCc1ccc2c(c1)OCO2	ZINC000032768900	570803524	/nfs/dbraw/zinc/80/35/24/570803524.db2.gz	RJYGQAVRHRZSFT-LLVKDONJSA-N	-1	3	395.437	1.046	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)n1	ZINC000238847457	570806778	/nfs/dbraw/zinc/80/67/78/570806778.db2.gz	IQNFBENSQAQSOT-HNNXBMFYSA-N	-1	3	395.463	1.629	50	0		GDAAHM
Cc1cc(-c2noc(C[N-]S(=O)(=O)c3ccc(-n4cccn4)cc3)n2)no1	ZINC000238903667	570812657	/nfs/dbraw/zinc/81/26/57/570812657.db2.gz	RRVOVWABWABLEW-UHFFFAOYSA-N	-1	3	386.393	1.697	50	0		GDAAHM
C[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccc(-n2ccnc2)cc1	ZINC000007277259	570823001	/nfs/dbraw/zinc/82/30/01/570823001.db2.gz	BNJWIOKULJCSEP-CQSZACIVSA-N	-1	3	389.415	1.753	50	0		GDAAHM
COc1ccc(C(=O)N2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)c(O)c1	ZINC000071760214	570849502	/nfs/dbraw/zinc/84/95/02/570849502.db2.gz	CXUJZSGIPWOLGR-UHFFFAOYSA-N	-1	3	378.388	1.745	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)on1	ZINC000014572200	570849723	/nfs/dbraw/zinc/84/97/23/570849723.db2.gz	JOQHPXKJPVKXHX-NSHDSACASA-N	-1	3	386.364	1.219	50	0		GDAAHM
CC(C)[C@@H]1CN(C(=O)Cc2n[nH]c(=O)[n-]2)CCCN1Cc1ccc(F)cc1	ZINC000071760172	570849775	/nfs/dbraw/zinc/84/97/75/570849775.db2.gz	VAYCMGRQZDSVFK-INIZCTEOSA-N	-1	3	375.448	1.539	50	0		GDAAHM
CCN(CC)C(=O)c1sc2[n-]c(CSc3nc(N)n[nH]3)nc(=O)c2c1C	ZINC000003440507	570869375	/nfs/dbraw/zinc/86/93/75/570869375.db2.gz	DDIFAONEKXQSOY-UHFFFAOYSA-N	-1	3	393.498	1.768	50	0		GDAAHM
Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cnc21	ZINC000032908419	570909153	/nfs/dbraw/zinc/90/91/53/570909153.db2.gz	ITYZWVDYRGFHNW-UHFFFAOYSA-N	-1	3	388.767	1.299	50	0		GDAAHM
CCOc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1S(=O)(=O)N(C)C	ZINC000012690102	570949363	/nfs/dbraw/zinc/94/93/63/570949363.db2.gz	JHEIHQCTDWIWAN-UHFFFAOYSA-N	-1	3	389.437	1.859	50	0		GDAAHM
Cc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)cc1S(=O)(=O)N(C)C	ZINC000005754152	571000328	/nfs/dbraw/zinc/00/03/28/571000328.db2.gz	DTUHUQRCPPBIDK-UHFFFAOYSA-N	-1	3	392.433	1.746	50	0		GDAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)OCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000011518980	571050107	/nfs/dbraw/zinc/05/01/07/571050107.db2.gz	FJNOOTDPTLQLSH-MRXNPFEDSA-N	-1	3	381.388	1.970	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000009226256	530550254	/nfs/dbraw/zinc/55/02/54/530550254.db2.gz	FUDPOUCHEIXAFD-JQWIXIFHSA-N	-1	3	376.862	1.311	50	0		GDAAHM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1Cl	ZINC000012768938	530556627	/nfs/dbraw/zinc/55/66/27/530556627.db2.gz	VUARFUOOXXZMEA-UHFFFAOYSA-N	-1	3	389.905	1.089	50	0		GDAAHM
CCC(=O)Nc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000021682461	530571232	/nfs/dbraw/zinc/57/12/32/530571232.db2.gz	VCSKCNUWBJQEAQ-UHFFFAOYSA-N	-1	3	381.479	1.805	50	0		GDAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)Cc2ccc3c(c2)CCO3)s1	ZINC000225603465	531031198	/nfs/dbraw/zinc/03/11/98/531031198.db2.gz	XODIQRUNSNOCRQ-JTQLQIEISA-N	-1	3	381.479	1.946	50	0		GDAAHM
COC[C@H]1CCCN1S(=O)(=O)[N-]Cc1nc(-c2ccccc2Cl)no1	ZINC000670450087	531833680	/nfs/dbraw/zinc/83/36/80/531833680.db2.gz	AUQGERUGIGCMFS-LLVKDONJSA-N	-1	3	386.861	1.835	50	0		GDAAHM
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)[N-]C2=O	ZINC000009914790	206373505	/nfs/dbraw/zinc/37/35/05/206373505.db2.gz	QJJSOBGXXCOOIR-UHFFFAOYSA-N	-1	3	390.392	1.902	50	0		GDAAHM
CCn1nnc2cc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc21	ZINC000014231094	207016893	/nfs/dbraw/zinc/01/68/93/207016893.db2.gz	LRCPEAXCIQDTLV-IBGZPJMESA-N	-1	3	378.392	1.563	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000017306782	207087916	/nfs/dbraw/zinc/08/79/16/207087916.db2.gz	LVZKNEUORBNVNA-UHFFFAOYSA-N	-1	3	382.417	1.236	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000017306782	207087920	/nfs/dbraw/zinc/08/79/20/207087920.db2.gz	LVZKNEUORBNVNA-UHFFFAOYSA-N	-1	3	382.417	1.236	50	0		GDAAHM
CC[C@]1(C)NC(=O)N([N-]C(=O)CSc2nccc(C(F)(F)F)n2)C1=O	ZINC000026481781	207314863	/nfs/dbraw/zinc/31/48/63/207314863.db2.gz	XEOPNDXQZBFFEB-LBPRGKRZSA-N	-1	3	377.348	1.339	50	0		GDAAHM
COc1cc(N2C[C@H](C(=O)[N-]C3=NCCS3)CC2=O)cc(OC)c1OC	ZINC000030805955	207375559	/nfs/dbraw/zinc/37/55/59/207375559.db2.gz	ASZPASNWEHNQEM-SNVBAGLBSA-N	-1	3	379.438	1.284	50	0		GDAAHM
COc1cccc(CCNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)c1	ZINC000067490118	207891649	/nfs/dbraw/zinc/89/16/49/207891649.db2.gz	YORKECUEKBNOMY-UHFFFAOYSA-N	-1	3	396.490	1.622	50	0		GDAAHM
Cc1ncc(CC(=O)N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[n-]1	ZINC000077537045	208048678	/nfs/dbraw/zinc/04/86/78/208048678.db2.gz	GXUSAGLXOXGVBZ-OAQYLSRUSA-N	-1	3	386.496	1.795	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1	ZINC000072424290	208022358	/nfs/dbraw/zinc/02/23/58/208022358.db2.gz	JZRFIEYLVRCUMP-HXUWFJFHSA-N	-1	3	381.436	1.210	50	0		GDAAHM
O=C([O-])COc1ccc(Cl)cc1CN1CCC2(C[NH2+][C@@H](C(=O)[O-])C2)CC1	ZINC000082097047	208079580	/nfs/dbraw/zinc/07/95/80/208079580.db2.gz	AECRAVDQDIJZAN-CQSZACIVSA-N	-1	3	382.844	1.832	50	0		GDAAHM
CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)s1	ZINC000091548596	208123395	/nfs/dbraw/zinc/12/33/95/208123395.db2.gz	RXSYTHMLLVHNKW-UHFFFAOYSA-N	-1	3	380.495	1.815	50	0		GDAAHM
CN1CCN(Cc2ccc(Cl)cc2)C[C@@]12CCC(=O)N(CC(=O)[O-])CC2	ZINC000091644020	208130669	/nfs/dbraw/zinc/13/06/69/208130669.db2.gz	KEAIXXQTBUGYFX-IBGZPJMESA-N	-1	3	379.888	1.923	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)no1	ZINC000095354558	208159323	/nfs/dbraw/zinc/15/93/23/208159323.db2.gz	QWTPBFHQRTYOMV-HNNXBMFYSA-N	-1	3	379.438	1.370	50	0		GDAAHM
CCOC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)n[n-]1	ZINC000095464999	208189113	/nfs/dbraw/zinc/18/91/13/208189113.db2.gz	ADQYVMOJXVTNPS-GFCCVEGCSA-N	-1	3	386.408	1.977	50	0		GDAAHM
CCOC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)[n-]n1	ZINC000095464999	208189116	/nfs/dbraw/zinc/18/91/16/208189116.db2.gz	ADQYVMOJXVTNPS-GFCCVEGCSA-N	-1	3	386.408	1.977	50	0		GDAAHM
CCC(=O)N1C[C@H](NC(=O)c2cc(C)ccc2[O-])C[C@H]1C(=O)N(CC)CC	ZINC000096153000	208275664	/nfs/dbraw/zinc/27/56/64/208275664.db2.gz	OEJALPXIMJWYCZ-ZBFHGGJFSA-N	-1	3	375.469	1.678	50	0		GDAAHM
CS(=O)(=O)N1C[C@H]2CN(Cc3csc4ccccc34)C[C@@]2(C(=O)[O-])C1	ZINC000096160152	208278244	/nfs/dbraw/zinc/27/82/44/208278244.db2.gz	LEKRMKAQTYVWOK-CXAGYDPISA-N	-1	3	380.491	1.679	50	0		GDAAHM
NC(=O)Cn1ccnc1C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1	ZINC000096163183	208281080	/nfs/dbraw/zinc/28/10/80/208281080.db2.gz	JRULTQOPQDCHHM-UHFFFAOYSA-N	-1	3	379.420	1.230	50	0		GDAAHM
Cn1c2[nH]c(=S)n(C[C@H](O)COc3cccc4ccccc43)c2c(=O)[n-]c1=O	ZINC000100699039	208378784	/nfs/dbraw/zinc/37/87/84/208378784.db2.gz	XEJQFHBXGOLXPU-LBPRGKRZSA-N	-1	3	398.444	1.305	50	0		GDAAHM
O=c1c(CN2CCOCC2)coc([O-])c1CN1CCN(Cc2ccccc2)CC1	ZINC000101408976	208391673	/nfs/dbraw/zinc/39/16/73/208391673.db2.gz	MRZSQXKBBBLOBO-UHFFFAOYSA-N	-1	3	399.491	1.495	50	0		GDAAHM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCN(Cc2ccccc2)CC1	ZINC000101408976	208391681	/nfs/dbraw/zinc/39/16/81/208391681.db2.gz	MRZSQXKBBBLOBO-UHFFFAOYSA-N	-1	3	399.491	1.495	50	0		GDAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC[C@@H]1CCCO1	ZINC000019079740	208803790	/nfs/dbraw/zinc/80/37/90/208803790.db2.gz	OKDGHOMYNKMWLF-SMDDNHRTSA-N	-1	3	398.510	1.289	50	0		GDAAHM
Cn1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)c2c1CCOC2	ZINC000096104029	209008532	/nfs/dbraw/zinc/00/85/32/209008532.db2.gz	DADRYTOQFUNXTL-UHFFFAOYSA-N	-1	3	392.300	1.795	50	0		GDAAHM
Cc1cccc(N2CCN(CCC(=O)NC3(C(=O)[O-])CCOCC3)CC2)c1	ZINC000244811513	209023225	/nfs/dbraw/zinc/02/32/25/209023225.db2.gz	SEGFBNLJAGPVFB-UHFFFAOYSA-N	-1	3	375.469	1.257	50	0		GDAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC(O)(c2ccccn2)CC1	ZINC000252484011	209033454	/nfs/dbraw/zinc/03/34/54/209033454.db2.gz	FMCMSMNSOUUQOS-UHFFFAOYSA-N	-1	3	380.404	1.262	50	0		GDAAHM
Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)ccc1N1CCOCC1	ZINC000082039561	136173363	/nfs/dbraw/zinc/17/33/63/136173363.db2.gz	SCQBWELSZJCAGO-QGZVFWFLSA-N	-1	3	382.464	1.935	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(N)=O	ZINC000072313997	222224696	/nfs/dbraw/zinc/22/46/96/222224696.db2.gz	HTXWVMCCJFXTAU-MNOVXSKESA-N	-1	3	391.287	1.780	50	0		GDAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C(=O)OC	ZINC000048991622	570255625	/nfs/dbraw/zinc/25/56/25/570255625.db2.gz	WBVRAIBEFNXLIT-UHFFFAOYSA-N	-1	3	396.444	1.409	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccoc2C)c(=O)[n-]c1=O	ZINC000012934421	570308424	/nfs/dbraw/zinc/30/84/24/570308424.db2.gz	GTSRJKHKWFHNQV-UHFFFAOYSA-N	-1	3	398.419	1.514	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCn1cc(-c2ccco2)cn1	ZINC000575616221	570357664	/nfs/dbraw/zinc/35/76/64/570357664.db2.gz	XXLYFUDDARXUKG-UHFFFAOYSA-N	-1	3	381.435	1.970	50	0		GDAAHM
O=S(=O)([N-]C[C@@H]1CCCO1)c1c2nonc2ccc1NC[C@@H]1CCCO1	ZINC000035606304	570555877	/nfs/dbraw/zinc/55/58/77/570555877.db2.gz	OFNQGNQQCAFOSZ-RYUDHWBXSA-N	-1	3	382.442	1.271	50	0		GDAAHM
O=C(CNC(=O)Cn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1[O-]	ZINC000036359141	570640545	/nfs/dbraw/zinc/64/05/45/570640545.db2.gz	OVIJZSXEQZEXFI-UHFFFAOYSA-N	-1	3	386.795	1.510	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)c(C)c1	ZINC000006887397	570681767	/nfs/dbraw/zinc/68/17/67/570681767.db2.gz	DGLDQENRAOWCBV-UHFFFAOYSA-N	-1	3	387.461	1.963	50	0		GDAAHM
COc1ccc(OC)c(CN(C(=O)CN2CC(=O)[N-]C2=O)C2CCCC2)c1	ZINC000055393044	570693973	/nfs/dbraw/zinc/69/39/73/570693973.db2.gz	VKPSCDBBFNURJV-UHFFFAOYSA-N	-1	3	375.425	1.527	50	0		GDAAHM
Cc1nc(NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc(-n2cccn2)n1	ZINC000067620929	570783781	/nfs/dbraw/zinc/78/37/81/570783781.db2.gz	BPSMVIDEHPNJLY-UHFFFAOYSA-N	-1	3	394.407	1.639	50	0		GDAAHM
Cc1noc(C)c1NC(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)[N-]C2=O)CC1	ZINC000067805032	570791776	/nfs/dbraw/zinc/79/17/76/570791776.db2.gz	IGYIZDJBARCHCN-IBGZPJMESA-N	-1	3	398.423	1.665	50	0		GDAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2	ZINC000067868374	570795061	/nfs/dbraw/zinc/79/50/61/570795061.db2.gz	VJQUFKFIKNYWBY-UHFFFAOYSA-N	-1	3	378.379	1.620	50	0		GDAAHM
COc1ccc(F)c(CN2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCN(C)CC3)C2)c1	ZINC000071681869	570842360	/nfs/dbraw/zinc/84/23/60/570842360.db2.gz	FLZJAZHCUZSTOC-HOTGVXAUSA-N	-1	3	393.459	1.131	50	0		GDAAHM
Cc1nnsc1C(=O)N1CCC(C[N-]S(=O)(=O)c2ccccc2F)CC1	ZINC000043958063	570845093	/nfs/dbraw/zinc/84/50/93/570845093.db2.gz	BGQDSCPCCBPACP-UHFFFAOYSA-N	-1	3	398.485	1.816	50	0		GDAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000072161982	570875634	/nfs/dbraw/zinc/87/56/34/570875634.db2.gz	ZCBJUCJPXBOPPW-HXUWFJFHSA-N	-1	3	386.427	1.743	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)CN1CCCN(c2ncccn2)CC1	ZINC000071285387	570888424	/nfs/dbraw/zinc/88/84/24/570888424.db2.gz	DHHHBSNMKGZVBJ-HNNXBMFYSA-N	-1	3	399.451	1.424	50	0		GDAAHM
O=c1cc(CO)oc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1[O-]	ZINC000071285733	570888474	/nfs/dbraw/zinc/88/84/74/570888474.db2.gz	WSBITHVSHJAPCQ-UHFFFAOYSA-N	-1	3	399.369	1.964	50	0		GDAAHM
CCCOC(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)cc1	ZINC000032894315	570891369	/nfs/dbraw/zinc/89/13/69/570891369.db2.gz	QJCZCOXLZFXVJG-UHFFFAOYSA-N	-1	3	382.376	1.441	50	0		GDAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O	ZINC000003516673	530534363	/nfs/dbraw/zinc/53/43/63/530534363.db2.gz	XGTCXTLQMJCZLP-OAHLLOKOSA-N	-1	3	398.213	1.489	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O	ZINC000003516673	530534365	/nfs/dbraw/zinc/53/43/65/530534365.db2.gz	XGTCXTLQMJCZLP-OAHLLOKOSA-N	-1	3	398.213	1.489	50	0		GDAAHM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(Cl)cc21	ZINC000005422671	530539836	/nfs/dbraw/zinc/53/98/36/530539836.db2.gz	SKGPDFQRQQNGJS-UHFFFAOYSA-N	-1	3	388.751	1.642	50	0		GDAAHM
C[C@H](CCc1ccccc1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000008775210	530550668	/nfs/dbraw/zinc/55/06/68/530550668.db2.gz	CNAXERTZYWXRKV-LLVKDONJSA-N	-1	3	380.242	1.437	50	0		GDAAHM
COc1ccc(Cl)cc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000012787825	530557209	/nfs/dbraw/zinc/55/72/09/530557209.db2.gz	PCBKEKDFZHIXFN-UHFFFAOYSA-N	-1	3	388.605	1.600	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](CC(C)C)N1CCOCC1	ZINC000012982899	530557725	/nfs/dbraw/zinc/55/77/25/530557725.db2.gz	BWPSKNVDDCMRFW-CYBMUJFWSA-N	-1	3	390.527	1.560	50	0		GDAAHM
COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)N2CCCC2)s1	ZINC000021011165	530569765	/nfs/dbraw/zinc/56/97/65/530569765.db2.gz	OMMIZNCLEDEKLF-UHFFFAOYSA-N	-1	3	382.471	1.247	50	0		GDAAHM
CCN(CC)CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067458646	530776417	/nfs/dbraw/zinc/77/64/17/530776417.db2.gz	HRSWOWLYLAIDNH-UHFFFAOYSA-N	-1	3	389.543	1.444	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@]1(O)CCOc2ccccc21	ZINC000077099990	530806762	/nfs/dbraw/zinc/80/67/62/530806762.db2.gz	AYOZLLWONXQQMH-MRXNPFEDSA-N	-1	3	383.447	1.483	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4cccc(Br)c4)C(=O)[C@@H]23)cnn1C	ZINC000101104167	530823541	/nfs/dbraw/zinc/82/35/41/530823541.db2.gz	PDYAFLFQWXIAQN-JSGCOSHPSA-N	-1	3	389.209	1.784	50	0		GDAAHM
C[C@@]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)(C(N)=O)c1ccccc1	ZINC000184281527	530826004	/nfs/dbraw/zinc/82/60/04/530826004.db2.gz	UZGPLCGIFAOHQT-ZDUSSCGKSA-N	-1	3	376.360	1.124	50	0		GDAAHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](O)C[C@H]2C)cc1	ZINC000252587388	531091040	/nfs/dbraw/zinc/09/10/40/531091040.db2.gz	XWJUPOBQKBPMOT-HIFRSBDPSA-N	-1	3	390.527	1.762	50	0		GDAAHM
C[C@@H]1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCO1	ZINC000012765197	206933822	/nfs/dbraw/zinc/93/38/22/206933822.db2.gz	ZYAFZYXPKBLNGS-GFCCVEGCSA-N	-1	3	385.449	1.861	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1	ZINC000016843523	207080667	/nfs/dbraw/zinc/08/06/67/207080667.db2.gz	QXQSTISIPMAEQP-UHFFFAOYSA-N	-1	3	392.481	1.714	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1	ZINC000016843523	207080670	/nfs/dbraw/zinc/08/06/70/207080670.db2.gz	QXQSTISIPMAEQP-UHFFFAOYSA-N	-1	3	392.481	1.714	50	0		GDAAHM
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]nnc1=NN	ZINC000019418250	207122516	/nfs/dbraw/zinc/12/25/16/207122516.db2.gz	SEVSRBDKHGGDNS-UHFFFAOYSA-N	-1	3	387.469	1.608	50	0		GDAAHM
COCCCNC(=O)CSc1nc(-c2ccccc2C)nc2cc(=O)[n-]n21	ZINC000021537413	207231656	/nfs/dbraw/zinc/23/16/56/207231656.db2.gz	PGOUQLOMABLJBY-UHFFFAOYSA-N	-1	3	387.465	1.638	50	0		GDAAHM
COC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000022625044	207258330	/nfs/dbraw/zinc/25/83/30/207258330.db2.gz	FRSNXJLXLMEFLE-RHSMWYFYSA-N	-1	3	394.468	1.866	50	0		GDAAHM
O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)N1CCOCC1	ZINC000022625153	207258551	/nfs/dbraw/zinc/25/85/51/207258551.db2.gz	WXPUBGMBCRKLIK-KRWDZBQOSA-N	-1	3	392.452	1.574	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]CCN2CCN(C)CC2)c(Cl)c1Cl	ZINC000022934998	207265081	/nfs/dbraw/zinc/26/50/81/207265081.db2.gz	WHLUFEALDIDZLK-UHFFFAOYSA-N	-1	3	382.313	1.528	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(Cc2cccnc2)CC1	ZINC000072405790	208016196	/nfs/dbraw/zinc/01/61/96/208016196.db2.gz	MOYQUNMQISLNPI-KRWDZBQOSA-N	-1	3	398.463	1.634	50	0		GDAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)cc1OC	ZINC000079048494	208071740	/nfs/dbraw/zinc/07/17/40/208071740.db2.gz	GIFFQJIEMXOPCU-SNVBAGLBSA-N	-1	3	380.401	1.925	50	0		GDAAHM
COc1ccc(S(=O)(=O)N2CCN(Cc3oc(C)cc(=O)c3[O-])CC2)cc1	ZINC000079488744	208074308	/nfs/dbraw/zinc/07/43/08/208074308.db2.gz	WVWFOBUQMQKHOE-UHFFFAOYSA-N	-1	3	394.449	1.169	50	0		GDAAHM
Cc1ccnc2nc(-c3nc(C[N-]S(=O)(=O)c4ccc(F)cc4)no3)nn21	ZINC000089701932	208108082	/nfs/dbraw/zinc/10/80/82/208108082.db2.gz	CVOWTWFZKQESGD-UHFFFAOYSA-N	-1	3	389.372	1.100	50	0		GDAAHM
O=C(Nc1ccccc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cccs1	ZINC000095408220	208178444	/nfs/dbraw/zinc/17/84/44/208178444.db2.gz	LDGFNFYBBNDVMJ-CYBMUJFWSA-N	-1	3	384.417	1.377	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC(N)=O)c2)cc1	ZINC000095464827	208188273	/nfs/dbraw/zinc/18/82/73/208188273.db2.gz	UOEIQNDVFXANFG-UHFFFAOYSA-N	-1	3	391.449	1.929	50	0		GDAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(c2nccn2Cc2ccccc2)CC1	ZINC000095501291	208201038	/nfs/dbraw/zinc/20/10/38/208201038.db2.gz	NLLUMBLMUYFWKB-MRXNPFEDSA-N	-1	3	381.436	1.236	50	0		GDAAHM
CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCC(=O)NC1CC1	ZINC000096504061	208319476	/nfs/dbraw/zinc/31/94/76/208319476.db2.gz	AOPMZMGTEZTWTQ-MQNTZWLQSA-N	-1	3	380.466	1.423	50	0		GDAAHM
Nc1ncc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)c(-c2ccccc2)n1	ZINC000097772844	208361717	/nfs/dbraw/zinc/36/17/17/208361717.db2.gz	DDFPQNPAFICFKG-AWEZNQCLSA-N	-1	3	376.420	1.829	50	0		GDAAHM
O=C(NCCNC(=O)c1ccccc1CN1CCOCC1)c1ccc([O-])cc1	ZINC000170636345	208755198	/nfs/dbraw/zinc/75/51/98/208755198.db2.gz	WTSNGIFQJYJWCE-UHFFFAOYSA-N	-1	3	383.448	1.384	50	0		GDAAHM
Cn1cc(CC[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)cn1	ZINC000253417942	209041215	/nfs/dbraw/zinc/04/12/15/209041215.db2.gz	HVEZZVQRIHGMBF-UHFFFAOYSA-N	-1	3	398.554	1.707	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1	ZINC000253535596	209043189	/nfs/dbraw/zinc/04/31/89/209043189.db2.gz	HRCGMACGBVMSHH-PNPHSEOMSA-N	-1	3	380.404	1.607	50	0		GDAAHM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)C	ZINC000009153905	221071874	/nfs/dbraw/zinc/07/18/74/221071874.db2.gz	DEAKLHSDRKFBDY-LBPRGKRZSA-N	-1	3	380.260	1.934	50	0		GDAAHM
Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000012856302	221238918	/nfs/dbraw/zinc/23/89/18/221238918.db2.gz	NKJLIQDODXDYAG-UHFFFAOYSA-N	-1	3	394.541	1.825	50	0		GDAAHM
COc1ccc(NC(=O)C[C@@H](CN2CCN(c3ccccn3)CC2)C(=O)[O-])cc1	ZINC000071283205	136165545	/nfs/dbraw/zinc/16/55/45/136165545.db2.gz	KSPCSTJRBYEMRS-INIZCTEOSA-N	-1	3	398.463	1.942	50	0		GDAAHM
Cc1cc(N2CCC(NCc3nc(N)n[nH]3)CC2)nc(-c2ccccc2[O-])n1	ZINC000095525102	136181559	/nfs/dbraw/zinc/18/15/59/136181559.db2.gz	MISVMRVXIQXEAQ-UHFFFAOYSA-N	-1	3	380.456	1.617	50	0		GDAAHM
CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc([O-])cc(C(=O)OC)c1)C2	ZINC000426475470	528393926	/nfs/dbraw/zinc/39/39/26/528393926.db2.gz	QHTBVPFUZPZVSK-UHFFFAOYSA-N	-1	3	386.408	1.058	50	0		GDAAHM
CC(C)Cc1cc(C(=O)N2CCc3[nH]c(-c4cccnc4)nc3C2)[n-]c(=O)n1	ZINC000215104677	570285770	/nfs/dbraw/zinc/28/57/70/570285770.db2.gz	KGQOGLKSXNVFMM-UHFFFAOYSA-N	-1	3	378.436	1.952	50	0		GDAAHM
CC(C)Cc1cc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)[n-]c(=O)n1	ZINC000215104677	570285772	/nfs/dbraw/zinc/28/57/72/570285772.db2.gz	KGQOGLKSXNVFMM-UHFFFAOYSA-N	-1	3	378.436	1.952	50	0		GDAAHM
C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)NC1CCCC1	ZINC000014254422	570304305	/nfs/dbraw/zinc/30/43/05/570304305.db2.gz	RUPTVDXOTRRYDH-GFCCVEGCSA-N	-1	3	386.445	1.485	50	0		GDAAHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCOCC1	ZINC000002886073	570316729	/nfs/dbraw/zinc/31/67/29/570316729.db2.gz	BNICBOXTYLJBIT-UHFFFAOYSA-N	-1	3	376.434	1.725	50	0		GDAAHM
COc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000003665238	570349966	/nfs/dbraw/zinc/34/99/66/570349966.db2.gz	WKBZQAURHPNQCO-UHFFFAOYSA-N	-1	3	376.394	1.539	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(-c2ccccn2)n(C)n1	ZINC000090607176	570382621	/nfs/dbraw/zinc/38/26/21/570382621.db2.gz	XMLDVXDROWNYCK-UHFFFAOYSA-N	-1	3	392.462	1.809	50	0		GDAAHM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCN(C)CC1)c2=O	ZINC000032959207	570511398	/nfs/dbraw/zinc/51/13/98/570511398.db2.gz	WPRKMCVCFYHEDV-UHFFFAOYSA-N	-1	3	376.482	1.109	50	0		GDAAHM
COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cnc(C)[n-]c1=O	ZINC000055036081	570679560	/nfs/dbraw/zinc/67/95/60/570679560.db2.gz	XKAXQKRLKFODJX-LBPRGKRZSA-N	-1	3	375.425	1.773	50	0		GDAAHM
Cc1cccc([C@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)N2CCOCC2)c1	ZINC000065500659	570826781	/nfs/dbraw/zinc/82/67/81/570826781.db2.gz	YHYUKQULCATJHS-FQEVSTJZSA-N	-1	3	397.475	1.620	50	0		GDAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@H]1CCCC[C@@H]1C	ZINC000104729134	570902536	/nfs/dbraw/zinc/90/25/36/570902536.db2.gz	CARCXFQVBQZZNB-XEZPLFJOSA-N	-1	3	387.436	1.316	50	0		GDAAHM
CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccccc2[O-])cc1	ZINC000032923796	570934828	/nfs/dbraw/zinc/93/48/28/570934828.db2.gz	UFDACUAUBGRPME-UHFFFAOYSA-N	-1	3	392.433	1.279	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]CCn2nc3c(cc2=O)CCCC3)c(F)c1	ZINC000585149961	570983691	/nfs/dbraw/zinc/98/36/91/570983691.db2.gz	PKEANWXYSUOTSK-UHFFFAOYSA-N	-1	3	381.429	1.248	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H]1CCCO1	ZINC000009226260	530550534	/nfs/dbraw/zinc/55/05/34/530550534.db2.gz	FUDPOUCHEIXAFD-CMPLNLGQSA-N	-1	3	376.862	1.311	50	0		GDAAHM
O=C1O[C@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCO2	ZINC000008838872	530550701	/nfs/dbraw/zinc/55/07/01/530550701.db2.gz	ZBKCFDBVPODGMN-LLVKDONJSA-N	-1	3	382.419	1.781	50	0		GDAAHM
CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1	ZINC000012809215	530557703	/nfs/dbraw/zinc/55/77/03/530557703.db2.gz	RNJFVUMFQOWLMO-UHFFFAOYSA-N	-1	3	387.414	1.232	50	0		GDAAHM
O=c1ccc(-n2ccnc2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000077197055	530806627	/nfs/dbraw/zinc/80/66/27/530806627.db2.gz	GIKCYJMTYDGOLJ-UHFFFAOYSA-N	-1	3	385.858	1.122	50	0		GDAAHM
O=S(=O)(CCNS(=O)(=O)c1ccccc1)[N-]c1ccc(F)cc1F	ZINC000079103144	530807979	/nfs/dbraw/zinc/80/79/79/530807979.db2.gz	HCFKOHMDIDSNHD-UHFFFAOYSA-N	-1	3	376.406	1.685	50	0		GDAAHM
O=c1[nH]c2ccsc2c(=O)n1CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000238840405	531055705	/nfs/dbraw/zinc/05/57/05/531055705.db2.gz	HSRSTMVCVDDPFI-UHFFFAOYSA-N	-1	3	391.883	1.857	50	0		GDAAHM
CCn1nc(C)c(CCC(=O)N=c2cc(C)[n-]n2[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000334159397	206263213	/nfs/dbraw/zinc/26/32/13/206263213.db2.gz	YNRBGADOXMHCRI-OAHLLOKOSA-N	-1	3	393.513	1.378	50	0		GDAAHM
C[N-]S(=O)(=O)c1cc(Br)ccc1I	ZINC000001040981	206344252	/nfs/dbraw/zinc/34/42/52/206344252.db2.gz	HJYIUTSJJUAFFT-UHFFFAOYSA-N	-1	3	376.013	1.962	50	0		GDAAHM
COc1ccc(NC2=N[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)cc1	ZINC000018227678	207096963	/nfs/dbraw/zinc/09/69/63/207096963.db2.gz	GBTSWMMDHHZRMZ-OAHLLOKOSA-N	-1	3	396.403	1.762	50	0		GDAAHM
O=S(=O)([N-]CCNc1ccc(-n2cccn2)nn1)c1ccc(F)cc1F	ZINC000019924185	207169598	/nfs/dbraw/zinc/16/95/98/207169598.db2.gz	LEQVDBSFSCFLFF-UHFFFAOYSA-N	-1	3	380.380	1.331	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1CCCN(c2ncccn2)C1	ZINC000024896511	207297915	/nfs/dbraw/zinc/29/79/15/207297915.db2.gz	HEEVQQFUVMHAQR-ZDUSSCGKSA-N	-1	3	375.454	1.703	50	0		GDAAHM
CC[C@@H](C)NC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000028800275	207348582	/nfs/dbraw/zinc/34/85/82/207348582.db2.gz	GCIRFJCITXINEC-SECBINFHSA-N	-1	3	397.280	1.730	50	0		GDAAHM
CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(F)(F)F	ZINC000044195658	207632981	/nfs/dbraw/zinc/63/29/81/207632981.db2.gz	YAZYOOULYGTBDH-JTQLQIEISA-N	-1	3	388.408	1.904	50	0		GDAAHM
CCN(Cc1cccc(F)c1)C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000058166360	207764934	/nfs/dbraw/zinc/76/49/34/207764934.db2.gz	WNOMWCSBDJFAPO-UHFFFAOYSA-N	-1	3	382.461	1.585	50	0		GDAAHM
O=S(=O)([N-]CCNc1cc(N2CCCC2)ncn1)c1ccc(F)c(F)c1	ZINC000072446643	208028263	/nfs/dbraw/zinc/02/82/63/208028263.db2.gz	VFAADCNGPVWFOM-UHFFFAOYSA-N	-1	3	383.424	1.745	50	0		GDAAHM
CCc1n[nH]c(=O)c(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1CC	ZINC000079098553	208073097	/nfs/dbraw/zinc/07/30/97/208073097.db2.gz	LKDJDYVJOKEXMN-UHFFFAOYSA-N	-1	3	384.483	1.207	50	0		GDAAHM
CN1CCN(C[C@@H](CC(=O)Nc2nc3ccc(F)cc3s2)C(=O)[O-])CC1	ZINC000079485708	208075452	/nfs/dbraw/zinc/07/54/52/208075452.db2.gz	DDCMQGQAHDCVFZ-LLVKDONJSA-N	-1	3	380.445	1.712	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-][C@H]2CCCCN(C(=O)Cc3ccccc3)C2)c1	ZINC000082087475	208077803	/nfs/dbraw/zinc/07/78/03/208077803.db2.gz	INKXYFHTDBBFPE-INIZCTEOSA-N	-1	3	376.482	1.322	50	0		GDAAHM
Cc1cc(=O)[n-]c([C@@H](C)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)n1	ZINC000084114326	208087405	/nfs/dbraw/zinc/08/74/05/208087405.db2.gz	LYRRCHYOWXNCTN-CABCVRRESA-N	-1	3	387.459	1.923	50	0		GDAAHM
COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cc1	ZINC000095370213	208166978	/nfs/dbraw/zinc/16/69/78/208166978.db2.gz	CMYSAOSLKHKVJJ-INIZCTEOSA-N	-1	3	384.436	1.641	50	0		GDAAHM
COc1ccc(OC)c([C@H](C(=O)[O-])N2CCC(CN3CCOCC3)CC2)c1	ZINC000095355161	208156689	/nfs/dbraw/zinc/15/66/89/208156689.db2.gz	VAQCJACPUJZNMA-LJQANCHMSA-N	-1	3	378.469	1.874	50	0		GDAAHM
NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1	ZINC000095530517	208228767	/nfs/dbraw/zinc/22/87/67/208228767.db2.gz	QJOKGQOKFMPYPU-CYBMUJFWSA-N	-1	3	379.420	1.230	50	0		GDAAHM
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000095529288	208230124	/nfs/dbraw/zinc/23/01/24/208230124.db2.gz	GDGBNWMUWRKOJS-LBPRGKRZSA-N	-1	3	394.522	1.791	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(OC)cc3C)C[C@]2(C(=O)[O-])C1	ZINC000096149277	208276915	/nfs/dbraw/zinc/27/69/15/208276915.db2.gz	HNYVPPQRZSIRMM-YJBOKZPZSA-N	-1	3	382.482	1.172	50	0		GDAAHM
Nc1ncc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)c(-c2ccccc2)n1	ZINC000097772845	208361416	/nfs/dbraw/zinc/36/14/16/208361416.db2.gz	DDFPQNPAFICFKG-CQSZACIVSA-N	-1	3	376.420	1.829	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4cccc(Br)c4)C(=O)[C@@H]23)cnn1C	ZINC000101104166	208387058	/nfs/dbraw/zinc/38/70/58/208387058.db2.gz	PDYAFLFQWXIAQN-GXTWGEPZSA-N	-1	3	389.209	1.784	50	0		GDAAHM
CC(C)CCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(C)C[C@H]32)C1=O	ZINC000229906481	209004414	/nfs/dbraw/zinc/00/44/14/209004414.db2.gz	LLLWVNPDJDXZOW-PGRDOPGGSA-N	-1	3	398.507	1.864	50	0		GDAAHM
O=C(N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1)c1nccnc1C(=O)N1CCCCC1	ZINC000240662490	209019236	/nfs/dbraw/zinc/01/92/36/209019236.db2.gz	PLNIPRJFLIBWGT-JOCQHMNTSA-N	-1	3	382.424	1.274	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000253535620	209043792	/nfs/dbraw/zinc/04/37/92/209043792.db2.gz	JLMYJHHZYPEQKB-YRNRMSPPSA-N	-1	3	383.448	1.905	50	0		GDAAHM
Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)ccc1N1CCOCC1	ZINC000082039560	136173368	/nfs/dbraw/zinc/17/33/68/136173368.db2.gz	SCQBWELSZJCAGO-KRWDZBQOSA-N	-1	3	382.464	1.935	50	0		GDAAHM
Cc1cc(C(=O)NCc2nc(C)c3c(n2)CCCC3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426398984	534063680	/nfs/dbraw/zinc/06/36/80/534063680.db2.gz	GBTHLOKVEKKPEJ-UHFFFAOYSA-N	-1	3	394.435	1.250	50	0		GDAAHM
C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000011555367	570219548	/nfs/dbraw/zinc/21/95/48/570219548.db2.gz	CIXGQMXAGNGFNM-LLVKDONJSA-N	-1	3	397.478	1.197	50	0		GDAAHM
CN1CCN(C(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@@H](c2ccccc2)C1	ZINC000048290597	570228863	/nfs/dbraw/zinc/22/88/63/570228863.db2.gz	KVMDKVOOKMMMHK-GOSISDBHSA-N	-1	3	378.432	1.617	50	0		GDAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1C(=O)OC	ZINC000048991604	570255785	/nfs/dbraw/zinc/25/57/85/570255785.db2.gz	GOBNBTYBGIBGKQ-UHFFFAOYSA-N	-1	3	384.502	1.398	50	0		GDAAHM
Cn1cc(CCC(=O)N2C[C@@H]3CN(Cc4cccc(O)c4)C[C@]3(C(=O)[O-])C2)cn1	ZINC000215238109	570286416	/nfs/dbraw/zinc/28/64/16/570286416.db2.gz	IZHWIVUKEHXOPW-UWJYYQICSA-N	-1	3	398.463	1.104	50	0		GDAAHM
COCc1cc(=O)[n-]c(-c2cccc(CN3CCC[C@H](CNC(C)=O)C3)c2)n1	ZINC000023231514	570351320	/nfs/dbraw/zinc/35/13/20/570351320.db2.gz	VEGUXOAKNIQYCQ-QGZVFWFLSA-N	-1	3	384.480	1.931	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](OCCO)c1ccsc1	ZINC000575621741	570370401	/nfs/dbraw/zinc/37/04/01/570370401.db2.gz	SHLSWYFBXRAWTF-AWEZNQCLSA-N	-1	3	375.443	1.924	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)[C@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000005018145	570397507	/nfs/dbraw/zinc/39/75/07/570397507.db2.gz	KNPJSOUUICKPHC-AWEZNQCLSA-N	-1	3	396.465	1.662	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)[C@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000005018145	570397509	/nfs/dbraw/zinc/39/75/09/570397509.db2.gz	KNPJSOUUICKPHC-AWEZNQCLSA-N	-1	3	396.465	1.662	50	0		GDAAHM
O=C([N-]c1nnc([C@H]2CCCO2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000010970523	570399469	/nfs/dbraw/zinc/39/94/69/570399469.db2.gz	AQFMGIHQZHCURP-CQSZACIVSA-N	-1	3	392.437	1.958	50	0		GDAAHM
COc1cc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC(C)=C2C(=O)OC(C)C)ccc1O	ZINC000006498407	570457241	/nfs/dbraw/zinc/45/72/41/570457241.db2.gz	JBIZCMFEZCAKAR-CQSZACIVSA-N	-1	3	387.392	1.560	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(-n3cnnn3)c2)cc1OC	ZINC000072301084	570504913	/nfs/dbraw/zinc/50/49/13/570504913.db2.gz	CFMSJIHNFMDUPY-UHFFFAOYSA-N	-1	3	391.409	1.489	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1	ZINC000048991396	570661466	/nfs/dbraw/zinc/66/14/66/570661466.db2.gz	FMIUNJZWUPUIKF-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1	ZINC000048991396	570661469	/nfs/dbraw/zinc/66/14/69/570661469.db2.gz	FMIUNJZWUPUIKF-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
COC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(F)c1	ZINC000180183979	570714918	/nfs/dbraw/zinc/71/49/18/570714918.db2.gz	MKWYETKEVFVRCD-QGZVFWFLSA-N	-1	3	396.415	1.917	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1	ZINC000067674003	570785233	/nfs/dbraw/zinc/78/52/33/570785233.db2.gz	BKRSOLFAVLIPNH-ZDUSSCGKSA-N	-1	3	385.399	1.474	50	0		GDAAHM
CCn1c(CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)nc2ccccc21	ZINC000012535389	570835864	/nfs/dbraw/zinc/83/58/64/570835864.db2.gz	UUBJAHXAPUKMNQ-UHFFFAOYSA-N	-1	3	377.404	1.376	50	0		GDAAHM
COc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)[n-]2)cc1OC	ZINC000012544691	570845407	/nfs/dbraw/zinc/84/54/07/570845407.db2.gz	NERAFMYGPIDZPR-UHFFFAOYSA-N	-1	3	375.410	1.072	50	0		GDAAHM
CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)Cn2ncc3ccccc3c2=O)c1	ZINC000120950040	570890448	/nfs/dbraw/zinc/89/04/48/570890448.db2.gz	LPYKSTXGUUGCLH-CQSZACIVSA-N	-1	3	389.481	1.616	50	0		GDAAHM
CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)Cn2ncc3ccccc3c2=O)c1	ZINC000120949883	570890510	/nfs/dbraw/zinc/89/05/10/570890510.db2.gz	LPYKSTXGUUGCLH-AWEZNQCLSA-N	-1	3	389.481	1.616	50	0		GDAAHM
CCN1CCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)CC1	ZINC000016980713	570922233	/nfs/dbraw/zinc/92/22/33/570922233.db2.gz	YSACFNGPMDSDFO-UHFFFAOYSA-N	-1	3	386.500	1.286	50	0		GDAAHM
CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(=O)[nH]c2N1	ZINC000004070236	570928656	/nfs/dbraw/zinc/92/86/56/570928656.db2.gz	HVNSGGNKZUHLJM-AWEZNQCLSA-N	-1	3	385.376	1.575	50	0		GDAAHM
CO[C@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl)[C@@H]1CCOC1	ZINC000656731482	654051565	/nfs/dbraw/zinc/05/15/65/654051565.db2.gz	MGAWROIETNGANI-QMTHXVAHSA-N	-1	3	387.849	1.109	50	0		GDAAHM
O=c1ccc(-c2cccnc2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000011743954	530554476	/nfs/dbraw/zinc/55/44/76/530554476.db2.gz	GCSDAZMJTZAYOR-UHFFFAOYSA-N	-1	3	396.881	1.999	50	0		GDAAHM
Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)s1	ZINC000190591367	530933730	/nfs/dbraw/zinc/93/37/30/530933730.db2.gz	JJZNMIHHOMHOTF-CQSZACIVSA-N	-1	3	383.470	1.978	50	0		GDAAHM
C[C@@H](CCCO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F	ZINC000225550925	531030679	/nfs/dbraw/zinc/03/06/79/531030679.db2.gz	UURQMDNNDJYPEL-VIFPVBQESA-N	-1	3	375.390	1.419	50	0		GDAAHM
CCCN1C[C@@H]([N-]S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1=O	ZINC000670471183	531833536	/nfs/dbraw/zinc/83/35/36/531833536.db2.gz	VIGWAUKDQPYHHD-JTQLQIEISA-N	-1	3	376.862	1.646	50	0		GDAAHM
Cc1cc(C)n(CC[N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(=O)n1	ZINC000670462324	531833893	/nfs/dbraw/zinc/83/38/93/531833893.db2.gz	IUGYVEOYGLITGK-UHFFFAOYSA-N	-1	3	387.874	1.201	50	0		GDAAHM
Cc1ccc(C2=NN(c3nc(N)cc4ncnn43)[C@@]([O-])(C(F)(F)F)C2)cc1	ZINC000004478239	209121445	/nfs/dbraw/zinc/12/14/45/209121445.db2.gz	ULZNQUGONRHGHC-HNNXBMFYSA-N	-1	3	377.330	1.880	50	0		GDAAHM
CCCOc1ccc(S(=O)(=O)n2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000001774250	206390963	/nfs/dbraw/zinc/39/09/63/206390963.db2.gz	KDYGQGXSXKSUEN-UHFFFAOYSA-N	-1	3	389.227	1.737	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1ccc(F)cc1F	ZINC000015881217	207066414	/nfs/dbraw/zinc/06/64/14/207066414.db2.gz	DQYRZSNDFRRSBY-UHFFFAOYSA-N	-1	3	381.364	1.121	50	0		GDAAHM
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2n[nH]cc2I)N1	ZINC000018162214	207094031	/nfs/dbraw/zinc/09/40/31/207094031.db2.gz	QYOZXTYGZPLIST-QMMMGPOBSA-N	-1	3	388.087	1.487	50	0		GDAAHM
CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000021712660	207235308	/nfs/dbraw/zinc/23/53/08/207235308.db2.gz	BCGYWIAIWALFQG-INIZCTEOSA-N	-1	3	381.498	1.825	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1	ZINC000023153636	207271200	/nfs/dbraw/zinc/27/12/00/207271200.db2.gz	ZYRFFVOZHUONMS-DJJJIMSYSA-N	-1	3	377.489	1.137	50	0		GDAAHM
O=C([O-])c1ccnc(-c2ccnc(N3CCCO[C@H](CN4CCCC4)C3)n2)c1	ZINC000072454397	208026411	/nfs/dbraw/zinc/02/64/11/208026411.db2.gz	WJHFAUIRERRIBQ-MRXNPFEDSA-N	-1	3	383.452	1.928	50	0		GDAAHM
O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1cccc(OCCN2CCOCC2)c1	ZINC000072463419	208031377	/nfs/dbraw/zinc/03/13/77/208031377.db2.gz	CADHHKUHJRZVAT-LJQANCHMSA-N	-1	3	386.452	1.305	50	0		GDAAHM
COCCN(C)C[C@@H]1CN(C(=O)c2cc(=O)c3cccc(F)c3[n-]2)C[C@@H]1CO	ZINC000091626106	208129071	/nfs/dbraw/zinc/12/90/71/208129071.db2.gz	OLZFZWWTEKZZIF-ZIAGYGMSSA-N	-1	3	391.443	1.338	50	0		GDAAHM
COc1ccc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c([O-])c1	ZINC000091707264	208134784	/nfs/dbraw/zinc/13/47/84/208134784.db2.gz	VRCVNFHDXGRNRX-QAPCUYQASA-N	-1	3	378.469	1.336	50	0		GDAAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)n1	ZINC000091321367	208114419	/nfs/dbraw/zinc/11/44/19/208114419.db2.gz	XAZLUJFCXPAKMF-OAHLLOKOSA-N	-1	3	386.427	1.315	50	0		GDAAHM
NC(=O)C1(N2CCCCC2)CCN([C@@H](C(=O)[O-])c2ccc(N)c(F)c2)CC1	ZINC000095372011	208168036	/nfs/dbraw/zinc/16/80/36/208168036.db2.gz	QKXSPDCELPXTAD-MRXNPFEDSA-N	-1	3	378.448	1.339	50	0		GDAAHM
CCn1nc(C)c(-c2cn(CCn3[n-]c(=O)c4ccccc4c3=O)nn2)c1C	ZINC000091906680	208141890	/nfs/dbraw/zinc/14/18/90/208141890.db2.gz	DFYUZPFHCXBQGV-UHFFFAOYSA-N	-1	3	379.424	1.894	50	0		GDAAHM
CCOC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)n[n-]1	ZINC000095465000	208189551	/nfs/dbraw/zinc/18/95/51/208189551.db2.gz	ADQYVMOJXVTNPS-LBPRGKRZSA-N	-1	3	386.408	1.977	50	0		GDAAHM
CCOC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)[n-]n1	ZINC000095465000	208189553	/nfs/dbraw/zinc/18/95/53/208189553.db2.gz	ADQYVMOJXVTNPS-LBPRGKRZSA-N	-1	3	386.408	1.977	50	0		GDAAHM
Nc1nc([O-])c([C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)s1	ZINC000096318562	208307375	/nfs/dbraw/zinc/30/73/75/208307375.db2.gz	JZGQKDJZKCQRHQ-OXQOHEQNSA-N	-1	3	381.457	1.810	50	0		GDAAHM
CCNC(=O)CN(CC)C(=O)c1c[n-]c2ccc(Br)cc2c1=O	ZINC000097373299	208353806	/nfs/dbraw/zinc/35/38/06/208353806.db2.gz	SCNYHFFRRDMCMJ-UHFFFAOYSA-N	-1	3	380.242	1.889	50	0		GDAAHM
CCNC(=O)CN(CC)C(=O)c1cnc2ccc(Br)cc2c1[O-]	ZINC000097373299	208353815	/nfs/dbraw/zinc/35/38/15/208353815.db2.gz	SCNYHFFRRDMCMJ-UHFFFAOYSA-N	-1	3	380.242	1.889	50	0		GDAAHM
Cc1noc(C)c1CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000225808338	208978038	/nfs/dbraw/zinc/97/80/38/208978038.db2.gz	SRFSIABHHGLPQJ-UHFFFAOYSA-N	-1	3	391.371	1.905	50	0		GDAAHM
COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(C(=O)OC)cc2)o1	ZINC000096114128	209010653	/nfs/dbraw/zinc/01/06/53/209010653.db2.gz	DVQDGPDRRIGWRB-CQSZACIVSA-N	-1	3	376.361	1.973	50	0	biogenic	GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@@H]3COc4ccccc4O3)cnc21	ZINC000048374937	570248912	/nfs/dbraw/zinc/24/89/12/570248912.db2.gz	PQNJFNZNPSAOGD-ZDUSSCGKSA-N	-1	3	397.387	1.492	50	0		GDAAHM
CCOC(=O)[C@]([O-])(c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1)C(F)(F)F	ZINC000218489885	570335132	/nfs/dbraw/zinc/33/51/32/570335132.db2.gz	PWEFONIKRICGCM-MRXNPFEDSA-N	-1	3	386.326	1.684	50	0		GDAAHM
CN1CCc2c(CNC(=O)COc3ccccc3)c3c(c([O-])c2C1=O)OCO3	ZINC000604404296	570361481	/nfs/dbraw/zinc/36/14/81/570361481.db2.gz	BPUBXQLNZBGGQN-UHFFFAOYSA-N	-1	3	384.388	1.444	50	0	biogenic	GDAAHM
COCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)o1	ZINC000002720198	570508251	/nfs/dbraw/zinc/50/82/51/570508251.db2.gz	JRYZXPXBMNTMLS-LBPRGKRZSA-N	-1	3	394.453	1.889	50	0		GDAAHM
CCOC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1oc(CO)cc(=O)c1[O-]	ZINC000071279152	570521754	/nfs/dbraw/zinc/52/17/54/570521754.db2.gz	KVLHEYKVEUOBMZ-CQSZACIVSA-N	-1	3	376.361	1.709	50	0		GDAAHM
CCNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000033034135	570671201	/nfs/dbraw/zinc/67/12/01/570671201.db2.gz	UYSPWILODRQOKQ-UHFFFAOYSA-N	-1	3	388.493	1.647	50	0		GDAAHM
CSc1nnc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[n-]1	ZINC000062581650	570671382	/nfs/dbraw/zinc/67/13/82/570671382.db2.gz	QXOLSYUNQVYDJC-NSHDSACASA-N	-1	3	397.482	1.236	50	0		GDAAHM
CSc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1	ZINC000062581650	570671384	/nfs/dbraw/zinc/67/13/84/570671384.db2.gz	QXOLSYUNQVYDJC-NSHDSACASA-N	-1	3	397.482	1.236	50	0		GDAAHM
CSc1nc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n[n-]1	ZINC000062581650	570671386	/nfs/dbraw/zinc/67/13/86/570671386.db2.gz	QXOLSYUNQVYDJC-NSHDSACASA-N	-1	3	397.482	1.236	50	0		GDAAHM
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000007118783	570792753	/nfs/dbraw/zinc/79/27/53/570792753.db2.gz	OEDQCIPELAOGOU-UHFFFAOYSA-N	-1	3	389.415	1.534	50	0		GDAAHM
NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000012525817	570830396	/nfs/dbraw/zinc/83/03/96/570830396.db2.gz	OGEKMCNTXWMHLK-UHFFFAOYSA-N	-1	3	378.406	1.513	50	0		GDAAHM
Cc1cccc(-c2noc(CCC(=O)N3CCc4c(=O)[n-]c(C)nc4C3)n2)c1	ZINC000071415816	570833362	/nfs/dbraw/zinc/83/33/62/570833362.db2.gz	UVSNJIVGXHUWAS-UHFFFAOYSA-N	-1	3	379.420	1.954	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCNc1nc(C)cc(N2CCCCC2)n1	ZINC000072139318	570869989	/nfs/dbraw/zinc/86/99/89/570869989.db2.gz	QKTSRDORBNGOOZ-UHFFFAOYSA-N	-1	3	394.501	1.771	50	0		GDAAHM
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O	ZINC000008189328	606857950	/nfs/dbraw/zinc/85/79/50/606857950.db2.gz	NYUZDTGHKGLQOC-IBGZPJMESA-N	-1	3	391.391	1.272	50	0		GDAAHM
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O	ZINC000008189328	606857953	/nfs/dbraw/zinc/85/79/53/606857953.db2.gz	NYUZDTGHKGLQOC-IBGZPJMESA-N	-1	3	391.391	1.272	50	0		GDAAHM
Cc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1	ZINC000011904469	530555365	/nfs/dbraw/zinc/55/53/65/530555365.db2.gz	OBALIAHVKNHIFU-UHFFFAOYSA-N	-1	3	380.447	1.862	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@@H]1C	ZINC000170604006	530585947	/nfs/dbraw/zinc/58/59/47/530585947.db2.gz	SJJCXVXUERJDQT-RYUDHWBXSA-N	-1	3	388.511	1.911	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1COC2(CCCCC2)O1	ZINC000049504208	530673975	/nfs/dbraw/zinc/67/39/75/530673975.db2.gz	PBABFTHHGGDLIM-NSHDSACASA-N	-1	3	375.468	1.889	50	0		GDAAHM
COc1cc(Cl)c(S(=O)(=O)[N-]CC2(O)CCN(C)CC2)cc1Cl	ZINC000269803673	531764794	/nfs/dbraw/zinc/76/47/94/531764794.db2.gz	SUFAGMUVKOJSIY-UHFFFAOYSA-N	-1	3	383.297	1.737	50	0		GDAAHM
COc1ccc(OC)c([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1	ZINC000245296707	206281621	/nfs/dbraw/zinc/28/16/21/206281621.db2.gz	OVGMYDZPIPGWKX-MHORFTMASA-N	-1	3	396.399	1.607	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccccn3)cc(C3CC3)nc21	ZINC000027606852	207328133	/nfs/dbraw/zinc/32/81/33/207328133.db2.gz	VUPCVDUCCDZTEG-UHFFFAOYSA-N	-1	3	379.420	1.697	50	0		GDAAHM
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(-n2cnnn2)ccc1[O-]	ZINC000072470646	208030127	/nfs/dbraw/zinc/03/01/27/208030127.db2.gz	XBJXBGSTRNCOMO-UHFFFAOYSA-N	-1	3	377.364	1.690	50	0		GDAAHM
CCc1c[nH]nc1[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000077323548	208038064	/nfs/dbraw/zinc/03/80/64/208038064.db2.gz	CBJYULCTGJJCDM-ZDUSSCGKSA-N	-1	3	382.511	1.718	50	0		GDAAHM
COc1ccc(OC)c(CN2CCC3(C[C@H](C(=O)[O-])N(C(C)=O)C3)CC2)c1	ZINC000082109267	208078683	/nfs/dbraw/zinc/07/86/83/208078683.db2.gz	FUECGPBGKBYFBA-QGZVFWFLSA-N	-1	3	376.453	1.991	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2	ZINC000095389389	208175033	/nfs/dbraw/zinc/17/50/33/208175033.db2.gz	AMCRBHHUNMITKC-GXTWGEPZSA-N	-1	3	377.408	1.125	50	0		GDAAHM
CCc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c(=O)[n-]1	ZINC000095374854	208169353	/nfs/dbraw/zinc/16/93/53/208169353.db2.gz	BXQARIGIHCAOKQ-JKSUJKDBSA-N	-1	3	386.496	1.433	50	0		GDAAHM
Cc1cc(=NC(=O)Cc2ccc3c(c2)OCC3)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159143	209096247	/nfs/dbraw/zinc/09/62/47/209096247.db2.gz	FDSSFLMKFHZUPJ-HNNXBMFYSA-N	-1	3	375.450	1.089	50	0		GDAAHM
Cc1cc(=NC(=O)Cc2ccc3c(c2)OCC3)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159144	209095373	/nfs/dbraw/zinc/09/53/73/209095373.db2.gz	FDSSFLMKFHZUPJ-OAHLLOKOSA-N	-1	3	375.450	1.089	50	0		GDAAHM
O=C1NCCc2ccc(S(=O)(=O)[N-]c3cc(-c4nc[nH]n4)ccc3F)cc21	ZINC000253425591	209040810	/nfs/dbraw/zinc/04/08/10/209040810.db2.gz	UZYAALUAZIFRPG-UHFFFAOYSA-N	-1	3	387.396	1.698	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCCn1ccc2ccccc21	ZINC000007990432	221022661	/nfs/dbraw/zinc/02/26/61/221022661.db2.gz	ILPRBFAKOWPTAH-UHFFFAOYSA-N	-1	3	376.416	1.851	50	0		GDAAHM
O=S(=O)([N-]C1CCN(c2cncc(-n3cccn3)n2)CC1)c1cccs1	ZINC000040119634	132397573	/nfs/dbraw/zinc/39/75/73/132397573.db2.gz	PBVYUEHPPQBWND-UHFFFAOYSA-N	-1	3	390.494	1.671	50	0		GDAAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1nc(-c3cccnc3)no1)CC2	ZINC000426550076	534503262	/nfs/dbraw/zinc/50/32/62/534503262.db2.gz	RIIWXVNGISVWIV-UHFFFAOYSA-N	-1	3	380.408	1.496	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)c(OC)c1	ZINC000012427856	560211986	/nfs/dbraw/zinc/21/19/86/560211986.db2.gz	ZBTFDTYEVFRKCR-UHFFFAOYSA-N	-1	3	375.410	1.405	50	0	biogenic,in-vitro	GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)OC[C@H]3COc4ccccc4O3)cnc21	ZINC000048374938	570248774	/nfs/dbraw/zinc/24/87/74/570248774.db2.gz	PQNJFNZNPSAOGD-CYBMUJFWSA-N	-1	3	397.387	1.492	50	0		GDAAHM
CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000002289503	570281382	/nfs/dbraw/zinc/28/13/82/570281382.db2.gz	INXRAYUCICUABB-UHFFFAOYSA-N	-1	3	378.406	1.998	50	0		GDAAHM
COc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000003665239	570349921	/nfs/dbraw/zinc/34/99/21/570349921.db2.gz	VLWIOVVBRHKUJQ-UHFFFAOYSA-N	-1	3	376.394	1.539	50	0		GDAAHM
CC(=O)Nc1cccc(OCCC[N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000004324721	570368209	/nfs/dbraw/zinc/36/82/09/570368209.db2.gz	SCIIJXKEGMYAME-UHFFFAOYSA-N	-1	3	390.421	1.929	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](O)c1ccc2c(c1)OCO2	ZINC000090612610	570386920	/nfs/dbraw/zinc/38/69/20/570386920.db2.gz	IATFVRGUWCOWNW-ZDUSSCGKSA-N	-1	3	383.397	1.965	50	0		GDAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@H]1CCCC[C@H]1C	ZINC000245264208	570435103	/nfs/dbraw/zinc/43/51/03/570435103.db2.gz	CARCXFQVBQZZNB-WWGRRREGSA-N	-1	3	387.436	1.316	50	0		GDAAHM
C[C@@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)Nc1ccc(F)cc1	ZINC000004278267	570626045	/nfs/dbraw/zinc/62/60/45/570626045.db2.gz	MBJCTVAXWAEJKY-LLVKDONJSA-N	-1	3	385.351	1.812	50	0		GDAAHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1-n1cnnn1	ZINC000036366960	570645059	/nfs/dbraw/zinc/64/50/59/570645059.db2.gz	VQWKLCHWZODSMZ-UHFFFAOYSA-N	-1	3	388.409	1.430	50	0		GDAAHM
Cc1nn(Cn2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)n2)c(C)c1Cl	ZINC000006921039	570706524	/nfs/dbraw/zinc/70/65/24/570706524.db2.gz	QNYMTUKOCQKJFL-CYBMUJFWSA-N	-1	3	390.753	1.938	50	0		GDAAHM
C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC(N)=O	ZINC000012787308	570712424	/nfs/dbraw/zinc/71/24/24/570712424.db2.gz	YPLVXKANSLFWQO-SSDOTTSWSA-N	-1	3	392.828	1.850	50	0		GDAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)cc1F	ZINC000012812512	570720278	/nfs/dbraw/zinc/72/02/78/570720278.db2.gz	SUKVDSLYNZLQHJ-UHFFFAOYSA-N	-1	3	378.379	1.764	50	0		GDAAHM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccc4c(c3)OCO4)C2=O)c1	ZINC000006994499	570732537	/nfs/dbraw/zinc/73/25/37/570732537.db2.gz	MMIZWVHASQDTLI-IBGZPJMESA-N	-1	3	383.360	1.536	50	0		GDAAHM
Cc1cc(N2CCOCC2)ccc1NC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000025274780	570745496	/nfs/dbraw/zinc/74/54/96/570745496.db2.gz	VQMAZBMGQYMWRM-UHFFFAOYSA-N	-1	3	395.506	1.810	50	0		GDAAHM
C[C@@H]1Oc2ccc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)cc2NC1=O	ZINC000007118908	570792600	/nfs/dbraw/zinc/79/26/00/570792600.db2.gz	FRJUOSHNBFOPRU-NSHDSACASA-N	-1	3	394.387	1.438	50	0		GDAAHM
CC(C)c1ccc(N2CCC([C@@]3(c4cccnc4)NC(=O)[N-]C3=O)CC2)nn1	ZINC000067955915	570798608	/nfs/dbraw/zinc/79/86/08/570798608.db2.gz	XEFBTWNYJZRSPG-FQEVSTJZSA-N	-1	3	380.452	1.946	50	0		GDAAHM
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4n[n-]nc4c3)CC2)cc1	ZINC000012507362	570823231	/nfs/dbraw/zinc/82/32/31/570823231.db2.gz	GROIVZCSNXYOOB-UHFFFAOYSA-N	-1	3	399.476	1.849	50	0		GDAAHM
COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2c(nc[n-]c2=O)C1	ZINC000071759018	570849187	/nfs/dbraw/zinc/84/91/87/570849187.db2.gz	CUOBTNXJTFOHQA-UHFFFAOYSA-N	-1	3	377.466	1.823	50	0		GDAAHM
CC(C)[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCC(=O)N1Cc1ccc(F)cc1	ZINC000071761095	570849628	/nfs/dbraw/zinc/84/96/28/570849628.db2.gz	GXLXASZOEXZRHD-QGZVFWFLSA-N	-1	3	386.427	1.808	50	0		GDAAHM
COc1ccccc1CN1C[C@@H](C(=O)[O-])C[C@H](C(=O)NCc2ccccn2)C1	ZINC000071775502	570852527	/nfs/dbraw/zinc/85/25/27/570852527.db2.gz	FBXXUARIWPEXMH-IRXDYDNUSA-N	-1	3	383.448	1.929	50	0		GDAAHM
Cc1ccc([O-])c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1	ZINC000012617052	570891403	/nfs/dbraw/zinc/89/14/03/570891403.db2.gz	HUUFHVHFXOJIPP-UHFFFAOYSA-N	-1	3	384.461	1.728	50	0		GDAAHM
COC(=O)c1ccc(C(=O)NC(=S)Nc2cccc3c2C(=O)[N-]C3=O)cc1	ZINC000004135005	570962316	/nfs/dbraw/zinc/96/23/16/570962316.db2.gz	PVQGRIJAUVEPFU-UHFFFAOYSA-N	-1	3	383.385	1.484	50	0		GDAAHM
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1[O-]	ZINC000012776273	571029860	/nfs/dbraw/zinc/02/98/60/571029860.db2.gz	NLFGFIKVSBZMOG-UHFFFAOYSA-N	-1	3	376.434	1.343	50	0		GDAAHM
Cc1nn2c(nnc2SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O	ZINC000004251401	530535045	/nfs/dbraw/zinc/53/50/45/530535045.db2.gz	JGGLFBZTVANXIS-UHFFFAOYSA-N	-1	3	395.242	1.614	50	0		GDAAHM
COc1ccc(N2C[C@@H]([N-]S(=O)(=O)c3cccs3)CC2=O)cc1OC	ZINC000004499707	530536086	/nfs/dbraw/zinc/53/60/86/530536086.db2.gz	AGXGAWKEFMKDPW-NSHDSACASA-N	-1	3	382.463	1.849	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1ccc(Cl)cc1	ZINC000007418472	530545736	/nfs/dbraw/zinc/54/57/36/530545736.db2.gz	YFCMMRXWWXERBI-UHFFFAOYSA-N	-1	3	379.829	1.496	50	0		GDAAHM
CC(=O)c1c[nH]c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1	ZINC000011007731	530553777	/nfs/dbraw/zinc/55/37/77/530553777.db2.gz	JJBWOAYEDVXWIJ-UHFFFAOYSA-N	-1	3	381.479	1.862	50	0		GDAAHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1	ZINC000011858248	530555204	/nfs/dbraw/zinc/55/52/04/530555204.db2.gz	OLAHJIFQMHDZKP-UHFFFAOYSA-N	-1	3	380.447	1.862	50	0		GDAAHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C	ZINC000032925435	530610585	/nfs/dbraw/zinc/61/05/85/530610585.db2.gz	BAHIBQYBTBFZSS-VIFPVBQESA-N	-1	3	379.276	1.603	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@@H](O)c1ccccc1)CNCC2	ZINC000067472809	530776524	/nfs/dbraw/zinc/77/65/24/530776524.db2.gz	GKELQTMWBYVMMV-GFCCVEGCSA-N	-1	3	382.463	1.104	50	0		GDAAHM
O=C(Cc1cn2ccsc2n1)N1CC(S(=O)(=O)[N-]c2ccccc2)C1	ZINC000096005410	530817466	/nfs/dbraw/zinc/81/74/66/530817466.db2.gz	HJPVGIBTCGLHCX-UHFFFAOYSA-N	-1	3	376.463	1.591	50	0		GDAAHM
COC(=O)c1ccc(S(=O)(=O)[N-]CCNc2cc(C)nn2C)c(Cl)c1	ZINC000225548410	531030674	/nfs/dbraw/zinc/03/06/74/531030674.db2.gz	TXXJAEFDTVOQOF-UHFFFAOYSA-N	-1	3	386.861	1.559	50	0		GDAAHM
O=S(=O)([N-]Cc1nnc2ccc(N3CCCC3)nn21)c1ccc(Cl)s1	ZINC000238939576	531055492	/nfs/dbraw/zinc/05/54/92/531055492.db2.gz	VVYLOYFVYIXLJP-UHFFFAOYSA-N	-1	3	398.901	1.918	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Cl)ccc1N(C(C)=O)C2=O	ZINC000001075439	206350397	/nfs/dbraw/zinc/35/03/97/206350397.db2.gz	QJDNEWGABXPKGO-HNNXBMFYSA-N	-1	3	380.813	1.388	50	0		GDAAHM
CC1(C)Cc2c(sc3[nH]c(=O)n(NC(=O)c4cccc([O-])c4)c(=O)c23)CO1	ZINC000008771067	206765054	/nfs/dbraw/zinc/76/50/54/206765054.db2.gz	VOHJWSOSFBYANZ-UHFFFAOYSA-N	-1	3	387.417	1.692	50	0		GDAAHM
Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000014241129	207018498	/nfs/dbraw/zinc/01/84/98/207018498.db2.gz	WCHMUHATNTUGIR-UHFFFAOYSA-N	-1	3	392.462	1.401	50	0		GDAAHM
O=C(COC(=O)c1ccc([O-])cc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000017483226	207089019	/nfs/dbraw/zinc/08/90/19/207089019.db2.gz	CPLRVIDTLJWTQG-HNNXBMFYSA-N	-1	3	381.450	1.507	50	0		GDAAHM
COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3	ZINC000019821199	207164645	/nfs/dbraw/zinc/16/46/45/207164645.db2.gz	WFMTYWBEEBZPKS-ZDUSSCGKSA-N	-1	3	395.415	1.653	50	0		GDAAHM
O=S(=O)([N-]N=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1)c1cccs1	ZINC000032093340	207390313	/nfs/dbraw/zinc/39/03/13/207390313.db2.gz	JVJMGQOYADKOCY-UHFFFAOYSA-N	-1	3	388.496	1.233	50	0		GDAAHM
CC(C)(C)c1ncc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccn2)c(=O)[n-]1	ZINC000082148228	208081518	/nfs/dbraw/zinc/08/15/18/208081518.db2.gz	FIGXVRCLLWMFRF-MRXNPFEDSA-N	-1	3	378.436	1.973	50	0		GDAAHM
Cn1cc(C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(N)=O)cn1	ZINC000089755398	208109888	/nfs/dbraw/zinc/10/98/88/208109888.db2.gz	VRVYOQPSIYDZTR-SNVBAGLBSA-N	-1	3	391.280	1.349	50	0		GDAAHM
Cn1cc(Cl)cc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091320901	208113920	/nfs/dbraw/zinc/11/39/20/208113920.db2.gz	SROWLGSMQMISQE-ZBFHGGJFSA-N	-1	3	396.919	1.621	50	0		GDAAHM
Cc1ccc2nc([C@@H](C)NC(=O)c3cnc(Cn4cncn4)[n-]c3=O)[nH]c2c1	ZINC000091445082	208120935	/nfs/dbraw/zinc/12/09/35/208120935.db2.gz	PIRIQKOTHUTEQP-LLVKDONJSA-N	-1	3	378.396	1.498	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)Cc3cccc(O)c3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091849235	208140679	/nfs/dbraw/zinc/14/06/79/208140679.db2.gz	RDHIMMBNUAMENP-MJGOQNOKSA-N	-1	3	389.496	1.264	50	0		GDAAHM
O=C(NCc1nn[n-]n1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1	ZINC000095506706	208205940	/nfs/dbraw/zinc/20/59/40/208205940.db2.gz	KGJVQCUPFDILSP-UHFFFAOYSA-N	-1	3	393.451	1.568	50	0		GDAAHM
O=C(NCc1nnn[n-]1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1	ZINC000095506706	208205935	/nfs/dbraw/zinc/20/59/35/208205935.db2.gz	KGJVQCUPFDILSP-UHFFFAOYSA-N	-1	3	393.451	1.568	50	0		GDAAHM
COc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1OC1CCN(C(C)C)CC1	ZINC000095518783	208218065	/nfs/dbraw/zinc/21/80/65/208218065.db2.gz	FVWDRRGQEVSDSM-UHFFFAOYSA-N	-1	3	389.456	1.288	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]2(C(=O)[O-])C1	ZINC000096130917	208266819	/nfs/dbraw/zinc/26/68/19/208266819.db2.gz	FTSHPXTZJZSOQC-AWXCJNTOSA-N	-1	3	382.457	1.507	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@]2(C(=O)[O-])C1	ZINC000096138198	208267874	/nfs/dbraw/zinc/26/78/74/208267874.db2.gz	XPUMMJBWIMJCML-KSSFIOAISA-N	-1	3	378.450	1.601	50	0		GDAAHM
Nc1nc([O-])c([C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)s1	ZINC000096318561	208306071	/nfs/dbraw/zinc/30/60/71/208306071.db2.gz	JZGQKDJZKCQRHQ-UZLBHIALSA-N	-1	3	381.457	1.810	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)n2nc(NCc3ccc(OC(C)C)cc3)[n-]c2n1	ZINC000101715249	208395294	/nfs/dbraw/zinc/39/52/94/208395294.db2.gz	RHWORNFLKMSSGX-UHFFFAOYSA-N	-1	3	385.424	1.923	50	0		GDAAHM
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccno3)o2)cc1	ZINC000012234603	208768996	/nfs/dbraw/zinc/76/89/96/208768996.db2.gz	ZCYZBLDTQRMZQB-UHFFFAOYSA-N	-1	3	389.393	1.760	50	0		GDAAHM
COc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2nnc(Cn3cccn3)n2C)C1	ZINC000244866440	209023633	/nfs/dbraw/zinc/02/36/33/209023633.db2.gz	VWEOGYSILADQGK-JOCQHMNTSA-N	-1	3	382.424	1.450	50	0		GDAAHM
CCN1CCN(c2ncc(-c3cc(=O)[n-]c(NC[C@@H]4CCCO4)n3)c(C)n2)CC1	ZINC000039383777	132390963	/nfs/dbraw/zinc/39/09/63/132390963.db2.gz	ZPPOMHHEWTUDRJ-HNNXBMFYSA-N	-1	3	399.499	1.268	50	0		GDAAHM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1nc(N(C)C)nc(C)c1C)CC2	ZINC000072149809	136167028	/nfs/dbraw/zinc/16/70/28/136167028.db2.gz	DBVVECZSEIEXBW-HNNXBMFYSA-N	-1	3	375.473	1.451	50	0		GDAAHM
c1ccc(-c2nc3c(c(N4CCC(NCc5nn[n-]n5)CC4)n2)CCC3)cc1	ZINC000095501326	136180005	/nfs/dbraw/zinc/18/00/05/136180005.db2.gz	LDIAZLKUPGXYDC-UHFFFAOYSA-N	-1	3	376.468	1.904	50	0		GDAAHM
c1ccc(-c2nc3c(c(N4CCC(NCc5nnn[n-]5)CC4)n2)CCC3)cc1	ZINC000095501326	136180006	/nfs/dbraw/zinc/18/00/06/136180006.db2.gz	LDIAZLKUPGXYDC-UHFFFAOYSA-N	-1	3	376.468	1.904	50	0		GDAAHM
O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC1CCC2(CC1)OCCO2	ZINC000048356664	570242625	/nfs/dbraw/zinc/24/26/25/570242625.db2.gz	PSYPHCFIKOZDTN-UHFFFAOYSA-N	-1	3	385.420	1.060	50	0		GDAAHM
CN(CC(=O)Nc1ccccc1)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000048367093	570246733	/nfs/dbraw/zinc/24/67/33/570246733.db2.gz	JIYUKLORMDZOLQ-UHFFFAOYSA-N	-1	3	392.415	1.355	50	0		GDAAHM
O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000010687210	570269296	/nfs/dbraw/zinc/26/92/96/570269296.db2.gz	DLROSNQKWGFMDY-UHFFFAOYSA-N	-1	3	386.429	1.904	50	0		GDAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)N1	ZINC000011694143	570343027	/nfs/dbraw/zinc/34/30/27/570343027.db2.gz	UPCQDQSLFDVDSG-UHFFFAOYSA-N	-1	3	385.445	1.301	50	0		GDAAHM
COc1cccc(CNC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000003665262	570349897	/nfs/dbraw/zinc/34/98/97/570349897.db2.gz	IOKURDRPFVEBBO-UHFFFAOYSA-N	-1	3	390.421	1.216	50	0		GDAAHM
COCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000004756944	570403663	/nfs/dbraw/zinc/40/36/63/570403663.db2.gz	NFYXICIFBIDKIZ-UHFFFAOYSA-N	-1	3	391.449	1.687	50	0		GDAAHM
O=C(NCc1ccccn1)c1cc2n(n1)CCN(C(=O)c1ccccc1[O-])C2	ZINC000065397571	570765597	/nfs/dbraw/zinc/76/55/97/570765597.db2.gz	RYHJIDFVWLVVQI-UHFFFAOYSA-N	-1	3	377.404	1.570	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nnc2n1C[C@H](C(F)(F)F)CC2	ZINC000372142492	570784478	/nfs/dbraw/zinc/78/44/78/570784478.db2.gz	KPBPOBHHOOGJHV-SECBINFHSA-N	-1	3	379.364	1.486	50	0		GDAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1cccnc1-n1cnc2ccccc21	ZINC000067675559	570785903	/nfs/dbraw/zinc/78/59/03/570785903.db2.gz	BCVZEUWAJTZXJC-AWEZNQCLSA-N	-1	3	378.392	1.025	50	0		GDAAHM
CC(C)[C@H]1CN(C(=O)c2ccccc2-c2nnn[n-]2)CCC(=O)N1CC1CC1	ZINC000071751823	570846855	/nfs/dbraw/zinc/84/68/55/570846855.db2.gz	MQKDFOMIGKUNOS-QGZVFWFLSA-N	-1	3	382.468	1.976	50	0		GDAAHM
CC(C)[C@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)CCC(=O)N1CC1CC1	ZINC000071751823	570846856	/nfs/dbraw/zinc/84/68/56/570846856.db2.gz	MQKDFOMIGKUNOS-QGZVFWFLSA-N	-1	3	382.468	1.976	50	0		GDAAHM
COc1ccccc1OCc1nnc(SCC(=O)[N-]C2=NCCS2)n1C	ZINC000004736033	570949880	/nfs/dbraw/zinc/94/98/80/570949880.db2.gz	IYVAZXLDFYFXBA-UHFFFAOYSA-N	-1	3	393.494	1.714	50	0		GDAAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)n1	ZINC000426394614	231213650	/nfs/dbraw/zinc/21/36/50/231213650.db2.gz	OTQQAKNONDJCHM-UHFFFAOYSA-N	-1	3	378.436	1.986	50	0		GDAAHM
CCN1C(=O)N/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O	ZINC000004699010	530536962	/nfs/dbraw/zinc/53/69/62/530536962.db2.gz	ZWEAAZWPZQHZDB-WEVVVXLNSA-N	-1	3	388.161	1.918	50	0		GDAAHM
CCCCS(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000007159972	530544383	/nfs/dbraw/zinc/54/43/83/530544383.db2.gz	FXFTZDWVBIIHOL-UHFFFAOYSA-N	-1	3	396.918	1.903	50	0		GDAAHM
CCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1	ZINC000012847124	530557423	/nfs/dbraw/zinc/55/74/23/530557423.db2.gz	DUQDHKPAHPZNER-UHFFFAOYSA-N	-1	3	384.882	1.572	50	0		GDAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	ZINC000170602269	530585936	/nfs/dbraw/zinc/58/59/36/530585936.db2.gz	DAWOGCNRAXXZDG-UHFFFAOYSA-N	-1	3	398.388	1.070	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@H]1C	ZINC000170604008	530586073	/nfs/dbraw/zinc/58/60/73/530586073.db2.gz	SJJCXVXUERJDQT-NEPJUHHUSA-N	-1	3	388.511	1.911	50	0		GDAAHM
CCc1csc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)n1	ZINC000067946409	530781675	/nfs/dbraw/zinc/78/16/75/530781675.db2.gz	SUSBYYQTHGCOOD-UHFFFAOYSA-N	-1	3	387.508	1.589	50	0		GDAAHM
O=c1ccc(-n2cccn2)nn1CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000070641021	530802052	/nfs/dbraw/zinc/80/20/52/530802052.db2.gz	VJHDXFXADVRXML-UHFFFAOYSA-N	-1	3	385.858	1.122	50	0		GDAAHM
CCn1nc(C)c(CCC(=O)N=c2cc(C)[n-]n2[C@H]2CCS(=O)(=O)C2)c1C	ZINC000334159396	206264258	/nfs/dbraw/zinc/26/42/58/206264258.db2.gz	YNRBGADOXMHCRI-HNNXBMFYSA-N	-1	3	393.513	1.378	50	0		GDAAHM
COc1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(OC)cc1Br	ZINC000000887321	206331949	/nfs/dbraw/zinc/33/19/49/206331949.db2.gz	XFERKKNFLICMQW-SECBINFHSA-N	-1	3	380.260	1.924	50	0		GDAAHM
COc1ccc(-c2ccc(=O)n(CC[N-]S(=O)(=O)c3cccs3)n2)cc1	ZINC000009661022	206334716	/nfs/dbraw/zinc/33/47/16/206334716.db2.gz	GRQNGYTXXWTNKD-UHFFFAOYSA-N	-1	3	391.474	1.959	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccncc1	ZINC000004937871	206574860	/nfs/dbraw/zinc/57/48/60/206574860.db2.gz	AZXZELFMVVVXQT-LLVKDONJSA-N	-1	3	383.857	1.727	50	0		GDAAHM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000016293359	207074728	/nfs/dbraw/zinc/07/47/28/207074728.db2.gz	RWLCDLVEDJJIJO-UHFFFAOYSA-N	-1	3	378.450	1.937	50	0		GDAAHM
Cc1c([O-])ccc2c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc(=O)oc12	ZINC000023479699	207277194	/nfs/dbraw/zinc/27/71/94/207277194.db2.gz	DNGMKNFUWAMZNY-OAHLLOKOSA-N	-1	3	392.477	1.112	50	0		GDAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)NOCc3ccccc3)cc(C3CC3)nc21	ZINC000030113964	207370519	/nfs/dbraw/zinc/37/05/19/207370519.db2.gz	UTPKHSMUQLFDNP-UHFFFAOYSA-N	-1	3	380.404	1.844	50	0		GDAAHM
NC(=O)c1csc(N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)n1	ZINC000095510461	208210155	/nfs/dbraw/zinc/21/01/55/208210155.db2.gz	BYRWQNNEEOLPQT-SNVBAGLBSA-N	-1	3	386.524	1.498	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)on1	ZINC000095468869	208191152	/nfs/dbraw/zinc/19/11/52/208191152.db2.gz	KAUDUDXTZURYNR-YJBOKZPZSA-N	-1	3	386.452	1.842	50	0		GDAAHM
Cc1cc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C\c2ccc(C)cc2)no1	ZINC000096448497	208317062	/nfs/dbraw/zinc/31/70/62/208317062.db2.gz	PJAMWZPKFOTXSF-FPLPWBNLSA-N	-1	3	393.421	1.363	50	0		GDAAHM
CN1CCC(Cc2nc(CCN3CCCCCC3=O)n(CC(=O)[O-])n2)CC1	ZINC000097660624	208359923	/nfs/dbraw/zinc/35/99/23/208359923.db2.gz	RRBYICPDFOKRTB-UHFFFAOYSA-N	-1	3	377.489	1.192	50	0		GDAAHM
COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(I)c1[O-]	ZINC000100291995	208374555	/nfs/dbraw/zinc/37/45/55/208374555.db2.gz	OGYRSBZBEUSHOD-YWEYNIOJSA-N	-1	3	390.202	1.693	50	0		GDAAHM
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(CO)CCCCC2)c1	ZINC000095972948	209005796	/nfs/dbraw/zinc/00/57/96/209005796.db2.gz	PPBPVZKUTKKBMO-UHFFFAOYSA-N	-1	3	395.930	1.965	50	0		GDAAHM
O=S(=O)([N-][C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2nsnc21	ZINC000252571987	209038344	/nfs/dbraw/zinc/03/83/44/209038344.db2.gz	YQUMPAUXWNAKJS-RWSFTLGLSA-N	-1	3	376.463	1.877	50	0		GDAAHM
O=C(Nc1ncccc1[O-])c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1	ZINC000058191212	136154978	/nfs/dbraw/zinc/15/49/78/136154978.db2.gz	SNICDEGYQXBXQY-LSDHHAIUSA-N	-1	3	378.388	2.000	50	0		GDAAHM
O=C(CCCc1nc(-c2cccnc2)no1)NCc1nnc(C(F)(F)F)[n-]1	ZINC000426386909	534382019	/nfs/dbraw/zinc/38/20/19/534382019.db2.gz	NQLZVOAYSBCSJH-UHFFFAOYSA-N	-1	3	381.318	1.908	50	0		GDAAHM
O=C(CCCc1nc(-c2cccnc2)no1)NCc1n[n-]c(C(F)(F)F)n1	ZINC000426386909	534382031	/nfs/dbraw/zinc/38/20/31/534382031.db2.gz	NQLZVOAYSBCSJH-UHFFFAOYSA-N	-1	3	381.318	1.908	50	0		GDAAHM
O=C(CCCc1nc(-c2cccnc2)no1)NCc1nc(C(F)(F)F)n[n-]1	ZINC000426386909	534382036	/nfs/dbraw/zinc/38/20/36/534382036.db2.gz	NQLZVOAYSBCSJH-UHFFFAOYSA-N	-1	3	381.318	1.908	50	0		GDAAHM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](N)C(C)C)CC1)C(=O)[O-]	ZINC000248027493	570435938	/nfs/dbraw/zinc/43/59/38/570435938.db2.gz	MPMDCDAQKBJDMJ-ZQDZILKHSA-N	-1	3	387.546	1.215	50	0	biogenic	GDAAHM
O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)c1ccc2nn[n-]c2c1	ZINC000225834208	570623962	/nfs/dbraw/zinc/62/39/62/570623962.db2.gz	BEZMNVSKEWZXTN-UHFFFAOYSA-N	-1	3	387.343	1.773	50	0		GDAAHM
O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)c1ccc2[n-]nnc2c1	ZINC000225834208	570623965	/nfs/dbraw/zinc/62/39/65/570623965.db2.gz	BEZMNVSKEWZXTN-UHFFFAOYSA-N	-1	3	387.343	1.773	50	0		GDAAHM
O=S(=O)(NCc1ccnc(OCC(F)(F)F)c1)c1ccc2n[n-]nc2c1	ZINC000225834208	570623968	/nfs/dbraw/zinc/62/39/68/570623968.db2.gz	BEZMNVSKEWZXTN-UHFFFAOYSA-N	-1	3	387.343	1.773	50	0		GDAAHM
COc1cccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)N3CCCC3)n2)c1	ZINC000006915765	570702571	/nfs/dbraw/zinc/70/25/71/570702571.db2.gz	QTXCWZNJQXFOEC-UHFFFAOYSA-N	-1	3	385.449	1.808	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2	ZINC000372142493	570784324	/nfs/dbraw/zinc/78/43/24/570784324.db2.gz	KPBPOBHHOOGJHV-VIFPVBQESA-N	-1	3	379.364	1.486	50	0		GDAAHM
COc1cc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)cc(OC)c1OC	ZINC000018023588	570794967	/nfs/dbraw/zinc/79/49/67/570794967.db2.gz	DWCUTQANXFNBQK-UHFFFAOYSA-N	-1	3	391.424	1.858	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)Cc1ccccc1F)N1CCO[C@@H](c2ccccc2)C1	ZINC000016847593	570914166	/nfs/dbraw/zinc/91/41/66/570914166.db2.gz	NNJWVUXZQXZSBH-GOSISDBHSA-N	-1	3	392.452	1.845	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCCNC2=O)C1CC1	ZINC000585138560	570950636	/nfs/dbraw/zinc/95/06/36/570950636.db2.gz	AZGITAMCXGDITP-QMMMGPOBSA-N	-1	3	389.271	1.648	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@H]1CCCN1c1ccccc1	ZINC000211118077	570970045	/nfs/dbraw/zinc/97/00/45/570970045.db2.gz	RZCKMPZNYFYDRR-MRXNPFEDSA-N	-1	3	391.468	1.889	50	0		GDAAHM
CO[C@H](CS(=O)(=O)[N-]c1nccc(C)c1Br)[C@@H]1CCOC1	ZINC000656741500	654053908	/nfs/dbraw/zinc/05/39/08/654053908.db2.gz	OYBSCTYTVSLZHF-GHMZBOCLSA-N	-1	3	379.276	1.946	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc2C1	ZINC000090611550	530809576	/nfs/dbraw/zinc/80/95/76/530809576.db2.gz	VMJIMCYULOBJRY-QGZVFWFLSA-N	-1	3	381.475	1.733	50	0		GDAAHM
CCOC([O-])=NC(=O)c1cn(Cc2ccco2)c(=O)n(Cc2ccccc2)c1=O	ZINC000001039292	206344413	/nfs/dbraw/zinc/34/44/13/206344413.db2.gz	HMJUVMOGHHUVRC-UHFFFAOYSA-N	-1	3	397.387	1.586	50	0		GDAAHM
CCOC(=O)[N-]C(=O)c1cn(Cc2ccco2)c(=O)n(Cc2ccccc2)c1=O	ZINC000001039292	206344418	/nfs/dbraw/zinc/34/44/18/206344418.db2.gz	HMJUVMOGHHUVRC-UHFFFAOYSA-N	-1	3	397.387	1.586	50	0		GDAAHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1cc(F)ccc1F)CC2	ZINC000019293049	207114675	/nfs/dbraw/zinc/11/46/75/207114675.db2.gz	JBOQDOTUQGSELL-UHFFFAOYSA-N	-1	3	376.407	1.486	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-]CCCN1CCOCC1	ZINC000019561761	207133959	/nfs/dbraw/zinc/13/39/59/207133959.db2.gz	JCJIUUMGVATHPI-UHFFFAOYSA-N	-1	3	393.303	1.458	50	0		GDAAHM
CC1CCC(NC(=O)COC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1	ZINC000022300483	207250690	/nfs/dbraw/zinc/25/06/90/207250690.db2.gz	PAIGJZLCACBIOK-UHFFFAOYSA-N	-1	3	388.511	1.655	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCOCC2)nc1	ZINC000024904071	207297410	/nfs/dbraw/zinc/29/74/10/207297410.db2.gz	AJWWBKOIDQWSGQ-UHFFFAOYSA-N	-1	3	395.419	1.363	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000024894667	207297693	/nfs/dbraw/zinc/29/76/93/207297693.db2.gz	RALXITPZWRNMNC-UHFFFAOYSA-N	-1	3	389.433	1.960	50	0		GDAAHM
C[C@@H](c1cncs1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067804594	207910634	/nfs/dbraw/zinc/91/06/34/207910634.db2.gz	DHCVOTAZQWFAKL-QMMMGPOBSA-N	-1	3	387.508	1.930	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100932061	208383741	/nfs/dbraw/zinc/38/37/41/208383741.db2.gz	NHWVTBNIGQQOCR-OCCSQVGLSA-N	-1	3	377.784	1.022	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC(Oc2nccs2)C1	ZINC000208031220	208785869	/nfs/dbraw/zinc/78/58/69/208785869.db2.gz	FUTGOBLAGKMKHX-UHFFFAOYSA-N	-1	3	385.442	1.240	50	0		GDAAHM
Cn1nnc(-c2ccc(C(=O)N[C@H]3C[C@@H](c4cc(=O)[n-]c(C5CC5)n4)C3)cc2)n1	ZINC000253535381	209044636	/nfs/dbraw/zinc/04/46/36/209044636.db2.gz	NLSZQODJVDCIPE-GASCZTMLSA-N	-1	3	391.435	1.926	50	0		GDAAHM
CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1)C(=O)[O-]	ZINC000006262872	570352827	/nfs/dbraw/zinc/35/28/27/570352827.db2.gz	OQMPCJGWEHTTPE-ROUUACIJSA-N	-1	3	389.496	1.411	50	0	biogenic	GDAAHM
O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccccc1-c1nnn[n-]1	ZINC000221376094	570394026	/nfs/dbraw/zinc/39/40/26/570394026.db2.gz	SULOWQJDTTUWOZ-SJORKVTESA-N	-1	3	383.383	1.972	50	0		GDAAHM
O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccccc1-c1nn[n-]n1	ZINC000221376094	570394030	/nfs/dbraw/zinc/39/40/30/570394030.db2.gz	SULOWQJDTTUWOZ-SJORKVTESA-N	-1	3	383.383	1.972	50	0		GDAAHM
COc1cc(OC)c([C@@H]2c3c(C)[nH]nc3Nc3[nH]c(=O)[n-]c(=O)c32)cc1OC	ZINC000072332959	570705995	/nfs/dbraw/zinc/70/59/95/570705995.db2.gz	KGYAKPUZQHWARR-CYBMUJFWSA-N	-1	3	385.380	1.358	50	0		GDAAHM
O=S(=O)([N-]CCNc1cc(-n2cccn2)ncn1)c1ccc(F)cc1F	ZINC000065363443	570760432	/nfs/dbraw/zinc/76/04/32/570760432.db2.gz	WSUBTIFTDYMZOG-UHFFFAOYSA-N	-1	3	380.380	1.331	50	0		GDAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2	ZINC000065372185	570762009	/nfs/dbraw/zinc/76/20/09/570762009.db2.gz	ZAMGWQVTQBWGPC-UHFFFAOYSA-N	-1	3	384.436	1.125	50	0		GDAAHM
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)C)CC1	ZINC000013198100	570764257	/nfs/dbraw/zinc/76/42/57/570764257.db2.gz	YNMVTNHJZDVFTL-FNORWQNLSA-N	-1	3	382.482	1.944	50	0		GDAAHM
CN1[C@@H](c2ccccc2F)[C@@H](C(=O)NCC2(CO)CCCC2)C[C@H]1C(=O)[O-]	ZINC000067803611	570792004	/nfs/dbraw/zinc/79/20/04/570792004.db2.gz	ZDOBNJVTNJXHRF-XIRDDKMYSA-N	-1	3	378.444	1.941	50	0		GDAAHM
CC(=O)Nc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000032767986	570802975	/nfs/dbraw/zinc/80/29/75/570802975.db2.gz	HVLWTQLZMIZZSB-SNVBAGLBSA-N	-1	3	380.426	1.555	50	0		GDAAHM
COC(=O)[C@]([O-])(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C(F)(F)F	ZINC000003210265	570837480	/nfs/dbraw/zinc/83/74/80/570837480.db2.gz	PRCVXWYJXOQFSB-CQSZACIVSA-N	-1	3	381.303	1.507	50	0		GDAAHM
NC(=O)c1ccc(-c2nc3c(c(=O)[n-]2)CCN(c2ncnc4c2CCC4)C3)cc1	ZINC000071750140	570846862	/nfs/dbraw/zinc/84/68/62/570846862.db2.gz	XBCKNKXOEDXQLP-UHFFFAOYSA-N	-1	3	388.431	1.377	50	0		GDAAHM
CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2	ZINC000033256049	570863654	/nfs/dbraw/zinc/86/36/54/570863654.db2.gz	KJTPUKGVVKJNOV-UHFFFAOYSA-N	-1	3	381.410	1.356	50	0		GDAAHM
Cc1nccn1CCCC(=O)N1CCc2c(=O)[n-]c(-c3ccncc3)nc2C1	ZINC000072123855	570867037	/nfs/dbraw/zinc/86/70/37/570867037.db2.gz	YEWDQVNSYJUNQY-UHFFFAOYSA-N	-1	3	378.436	1.702	50	0		GDAAHM
O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1ccc(-n2cnnn2)cc1[O-]	ZINC000072161441	570874930	/nfs/dbraw/zinc/87/49/30/570874930.db2.gz	JKJBTXAYUFUAAW-HNNXBMFYSA-N	-1	3	379.424	1.157	50	0		GDAAHM
O=C(CN1C(=O)[N-][C@@H](c2ccccc2OC(F)(F)F)C1=O)NCC(F)(F)F	ZINC000032932703	570945566	/nfs/dbraw/zinc/94/55/66/570945566.db2.gz	YPIXTKPIXPAZGR-JTQLQIEISA-N	-1	3	399.247	1.857	50	0		GDAAHM
O=C(NCCc1ccccc1)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F	ZINC000004742398	570956838	/nfs/dbraw/zinc/95/68/38/570956838.db2.gz	SIKOBAAKONVROK-DYVFJYSZSA-N	-1	3	383.370	1.985	50	0		GDAAHM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(I)cc1)CC(=O)N2	ZINC000585655777	652084570	/nfs/dbraw/zinc/08/45/70/652084570.db2.gz	HTHDDTBLNFPGND-QMMMGPOBSA-N	-1	3	382.161	1.843	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccco2)C1	ZINC000008843417	530550443	/nfs/dbraw/zinc/55/04/43/530550443.db2.gz	WWDCXJRJRNEQMU-CQSZACIVSA-N	-1	3	383.451	1.762	50	0		GDAAHM
CC(=O)N1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1	ZINC000058195127	530731061	/nfs/dbraw/zinc/73/10/61/530731061.db2.gz	MKRDQOGATZZTEE-UHFFFAOYSA-N	-1	3	379.251	1.877	50	0		GDAAHM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cn1	ZINC000184944500	530834804	/nfs/dbraw/zinc/83/48/04/530834804.db2.gz	AYTAKNUPGOHHAX-UHFFFAOYSA-N	-1	3	394.400	1.737	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccccc1	ZINC000096309087	206301005	/nfs/dbraw/zinc/30/10/05/206301005.db2.gz	FHGNWFUXAKJRAO-JSQBSXHBSA-N	-1	3	388.445	1.735	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(Br)ccc1N(C)C2=O	ZINC000004623166	206535260	/nfs/dbraw/zinc/53/52/60/206535260.db2.gz	NQIAFDSNNYEVSR-AWEZNQCLSA-N	-1	3	397.254	1.581	50	0		GDAAHM
COc1cc(CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc(OC)c1OC	ZINC000009887464	206802717	/nfs/dbraw/zinc/80/27/17/206802717.db2.gz	JXGUAVYSUFOAHB-UHFFFAOYSA-N	-1	3	399.403	1.032	50	0		GDAAHM
COc1ccc(NC(=O)Cc2sc(N3CCN(C)CC3)nc2[O-])cc1Cl	ZINC000014114044	207010311	/nfs/dbraw/zinc/01/03/11/207010311.db2.gz	CXMKIURMQLGTRK-CQSZACIVSA-N	-1	3	396.900	1.923	50	0		GDAAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)C(=O)N1CCOCC1)COC(C)(C)C2	ZINC000015083626	207047019	/nfs/dbraw/zinc/04/70/19/207047019.db2.gz	RSMCMBMXTCWQBK-UHFFFAOYSA-N	-1	3	396.465	1.573	50	0		GDAAHM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4ccccc43)c2=O)cc1	ZINC000017057440	207082216	/nfs/dbraw/zinc/08/22/16/207082216.db2.gz	LNQXKVBKZDMKAO-SFHVURJKSA-N	-1	3	379.416	1.865	50	0		GDAAHM
CCOc1ccc(-n2c([O-])c([C@H]3NCCc4ccccc43)c(=O)[nH]c2=O)cc1	ZINC000017057440	207082221	/nfs/dbraw/zinc/08/22/21/207082221.db2.gz	LNQXKVBKZDMKAO-SFHVURJKSA-N	-1	3	379.416	1.865	50	0		GDAAHM
CCN(CC)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000020889922	207218576	/nfs/dbraw/zinc/21/85/76/207218576.db2.gz	XVOQIXUNHZJRNP-UHFFFAOYSA-N	-1	3	397.280	1.683	50	0		GDAAHM
Cc1c([O-])ccc2c(CN3CCN(CC(=O)N4CCCC4)CC3)cc(=O)oc12	ZINC000022927243	207265399	/nfs/dbraw/zinc/26/53/99/207265399.db2.gz	MIUSKKHTTUFJPP-UHFFFAOYSA-N	-1	3	385.464	1.547	50	0		GDAAHM
Cc1nc(-c2ncc(C(=O)NCCN3CCCC[C@@H]3CO)c(=O)[n-]2)cs1	ZINC000091694826	208132424	/nfs/dbraw/zinc/13/24/24/208132424.db2.gz	CSIMSKAXOMIMJK-GFCCVEGCSA-N	-1	3	377.470	1.191	50	0		GDAAHM
Cc1ccc(C(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)cc1N1CCNC1=O	ZINC000091726057	208136352	/nfs/dbraw/zinc/13/63/52/208136352.db2.gz	VZFJEMFXSDEFJP-UHFFFAOYSA-N	-1	3	381.436	1.157	50	0		GDAAHM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cccc(Cn3cccn3)c1)CC2	ZINC000095374068	208169533	/nfs/dbraw/zinc/16/95/33/208169533.db2.gz	XCTATNRSXFDNGZ-GOSISDBHSA-N	-1	3	382.464	1.829	50	0		GDAAHM
O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000095529289	208229548	/nfs/dbraw/zinc/22/95/48/208229548.db2.gz	GDGBNWMUWRKOJS-GFCCVEGCSA-N	-1	3	394.522	1.791	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)n2nc(NCc3cc(OC)ccc3OC)[n-]c2n1	ZINC000101483928	208394465	/nfs/dbraw/zinc/39/44/65/208394465.db2.gz	DBHMUASGUIEBLB-UHFFFAOYSA-N	-1	3	387.396	1.153	50	0		GDAAHM
O=C(Nc1n[n-]c([C@@H]2CCCO2)n1)C1CCN(c2ccc(Cl)nn2)CC1	ZINC000252492674	209034011	/nfs/dbraw/zinc/03/40/11/209034011.db2.gz	MSCDJMCUNPOGLJ-NSHDSACASA-N	-1	3	377.836	1.955	50	0		GDAAHM
CCN1CCN(c2ncc(-c3cc(=O)[n-]c(NC[C@H]4CCCO4)n3)c(C)n2)CC1	ZINC000039383779	132390930	/nfs/dbraw/zinc/39/09/30/132390930.db2.gz	ZPPOMHHEWTUDRJ-OAHLLOKOSA-N	-1	3	399.499	1.268	50	0		GDAAHM
Cc1cccnc1N1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000091364938	136176238	/nfs/dbraw/zinc/17/62/38/136176238.db2.gz	IYINBPDUDWMHQI-UHFFFAOYSA-N	-1	3	380.495	1.079	50	0		GDAAHM
CC(C)CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(C)C[C@@H]32)C1=O	ZINC000095346237	136177926	/nfs/dbraw/zinc/17/79/26/136177926.db2.gz	LLLWVNPDJDXZOW-GCJKJVERSA-N	-1	3	398.507	1.864	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)nc(N2CCOCC2)n1	ZINC000211103248	136202949	/nfs/dbraw/zinc/20/29/49/136202949.db2.gz	FGXJZGDHPHDSKA-UHFFFAOYSA-N	-1	3	384.408	1.378	50	0		GDAAHM
O=c1cc(CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)nc2[n-]cnn21	ZINC000102206217	570287772	/nfs/dbraw/zinc/28/77/72/570287772.db2.gz	FNMXFRXQSOXBSX-UHFFFAOYSA-N	-1	3	384.484	1.565	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nc(N(C)C)n1	ZINC000575607718	570330846	/nfs/dbraw/zinc/33/08/46/570330846.db2.gz	PRBOPAOMVVUCGF-UHFFFAOYSA-N	-1	3	390.513	1.361	50	0		GDAAHM
O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOc2ccc(F)cc2C1	ZINC000575617086	570359963	/nfs/dbraw/zinc/35/99/63/570359963.db2.gz	XXSKTFPSRROVSW-UHFFFAOYSA-N	-1	3	393.375	1.728	50	0		GDAAHM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1	ZINC000222364386	570408936	/nfs/dbraw/zinc/40/89/36/570408936.db2.gz	YAQUNPPUQFPBRW-JTQLQIEISA-N	-1	3	375.429	1.933	50	0		GDAAHM
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2[O-])cc1	ZINC000006453812	570426227	/nfs/dbraw/zinc/42/62/27/570426227.db2.gz	LVXAYFDVAGBVSC-UHFFFAOYSA-N	-1	3	391.449	1.918	50	0		GDAAHM
Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCOCC2)[n-]c3=O)cc1	ZINC000006493670	570456810	/nfs/dbraw/zinc/45/68/10/570456810.db2.gz	QBGMPRCGUKQNRE-UHFFFAOYSA-N	-1	3	385.449	1.368	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)C(c2ccccc2)c2ccccc2)c1	ZINC000206633332	570632181	/nfs/dbraw/zinc/63/21/81/570632181.db2.gz	ZIHTWCDAHPLJKL-UHFFFAOYSA-N	-1	3	398.488	1.647	50	0		GDAAHM
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1[O-]	ZINC000012900807	570726625	/nfs/dbraw/zinc/72/66/25/570726625.db2.gz	XKNWEHJJPDUEDN-UHFFFAOYSA-N	-1	3	376.434	1.343	50	0		GDAAHM
COc1cc2ncn(CCCC(=O)Nc3ncccc3[O-])c(=O)c2cc1OC	ZINC000058380975	570730362	/nfs/dbraw/zinc/73/03/62/570730362.db2.gz	AJXAUGUTKJCFCV-UHFFFAOYSA-N	-1	3	384.392	1.933	50	0		GDAAHM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc4c(c3)OCO4)C2=O)c1	ZINC000006994501	570732514	/nfs/dbraw/zinc/73/25/14/570732514.db2.gz	MMIZWVHASQDTLI-LJQANCHMSA-N	-1	3	383.360	1.536	50	0		GDAAHM
C[C@]1(c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc43)c2)NC(=O)[N-]C1=O	ZINC000058982045	570737034	/nfs/dbraw/zinc/73/70/34/570737034.db2.gz	NTDOZQMEMGYYCP-LJQANCHMSA-N	-1	3	377.360	1.230	50	0		GDAAHM
O=S(=O)([N-]CCNc1cc(-n2cccn2)ncn1)c1ccc(F)c(F)c1	ZINC000067601740	570782626	/nfs/dbraw/zinc/78/26/26/570782626.db2.gz	FTAIIBZAOVVEMD-UHFFFAOYSA-N	-1	3	380.380	1.331	50	0		GDAAHM
Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(c2cc(=O)[n-]c(N)n2)CCO3)n1	ZINC000067723118	570787799	/nfs/dbraw/zinc/78/77/99/570787799.db2.gz	VFKSCAURAZGGDT-UHFFFAOYSA-N	-1	3	380.408	1.531	50	0		GDAAHM
O=C(NCc1cccnc1N1CCC[C@@H](O)C1)c1cc(=O)c2ccccc2[n-]1	ZINC000067842239	570793721	/nfs/dbraw/zinc/79/37/21/570793721.db2.gz	HZPBCOFYBUGCGH-OAHLLOKOSA-N	-1	3	378.432	1.814	50	0		GDAAHM
COc1ccccc1[C@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)[C@H]2[C@@H]1N1CCC2CC1	ZINC000072150719	570873385	/nfs/dbraw/zinc/87/33/85/570873385.db2.gz	BUBULEHBLDUMQW-NIKGAXFTSA-N	-1	3	396.447	1.187	50	0		GDAAHM
CCc1nccn1CCC(=O)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1	ZINC000072154363	570874453	/nfs/dbraw/zinc/87/44/53/570874453.db2.gz	HYAJKMYWVSOEOR-UHFFFAOYSA-N	-1	3	378.436	1.566	50	0		GDAAHM
O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)[n-]cnc2C1	ZINC000097087283	570891070	/nfs/dbraw/zinc/89/10/70/570891070.db2.gz	CQYDTNGCYZUROW-SNVBAGLBSA-N	-1	3	390.802	1.500	50	0		GDAAHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2S1	ZINC000107169864	570971835	/nfs/dbraw/zinc/97/18/35/570971835.db2.gz	PBQVSGVMZXQOLQ-IIAWOOMASA-N	-1	3	394.408	1.870	50	0		GDAAHM
Cc1ccc(N(CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)S(C)(=O)=O)cc1	ZINC000426424200	231219376	/nfs/dbraw/zinc/21/93/76/231219376.db2.gz	FYUIYZQAXIQISP-UHFFFAOYSA-N	-1	3	376.438	1.107	50	0		GDAAHM
CN(C)[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2	ZINC000426434802	231221359	/nfs/dbraw/zinc/22/13/59/231221359.db2.gz	DXOLICRLVVNSHT-KRWDZBQOSA-N	-1	3	380.408	1.515	50	0		GDAAHM
CN(C)[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2	ZINC000426434802	231221362	/nfs/dbraw/zinc/22/13/62/231221362.db2.gz	DXOLICRLVVNSHT-KRWDZBQOSA-N	-1	3	380.408	1.515	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cccc(N2CCOC2=O)c1	ZINC000024985482	530579466	/nfs/dbraw/zinc/57/94/66/530579466.db2.gz	BHCJWASXCDILBI-UHFFFAOYSA-N	-1	3	381.435	1.622	50	0		GDAAHM
COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000190591457	530933850	/nfs/dbraw/zinc/93/38/50/530933850.db2.gz	VEWSATUKUKMGFJ-CYBMUJFWSA-N	-1	3	384.454	1.975	50	0		GDAAHM
CCOc1nccn2c(C[N-]S(=O)(=O)c3ccc(F)c(Cl)c3)nnc12	ZINC000238870997	531055698	/nfs/dbraw/zinc/05/56/98/531055698.db2.gz	MWXKSWUOZMRKER-UHFFFAOYSA-N	-1	3	385.808	1.794	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc(C)cc2)S1	ZINC000000859536	206328895	/nfs/dbraw/zinc/32/88/95/206328895.db2.gz	XBHVHJCDWIQAFH-INIZCTEOSA-N	-1	3	383.495	1.877	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2ccc(C)c(C)c2)S1	ZINC000000859559	206329284	/nfs/dbraw/zinc/32/92/84/206329284.db2.gz	LDHQFOMSVYYZTI-INIZCTEOSA-N	-1	3	383.495	1.796	50	0		GDAAHM
CCN(CC)CCNNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000020330213	207188838	/nfs/dbraw/zinc/18/88/38/207188838.db2.gz	OQQSQZDKDUUGST-DTQAZKPQSA-N	-1	3	389.456	1.192	50	0		GDAAHM
Cc1c([O-])ccc2c(C)c(CCC(=O)NCCCN3CCOCC3)c(=O)oc12	ZINC000020547268	207202726	/nfs/dbraw/zinc/20/27/26/207202726.db2.gz	QRXXRXYOYIWUSH-UHFFFAOYSA-N	-1	3	388.464	1.887	50	0		GDAAHM
Cc1ncc(CC(=O)N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c(=O)[n-]1	ZINC000077537040	208047999	/nfs/dbraw/zinc/04/79/99/208047999.db2.gz	GXUSAGLXOXGVBZ-NRFANRHFSA-N	-1	3	386.496	1.795	50	0		GDAAHM
Cc1nn(C)c2nc(-c3ccccn3)nc(NCCc3nc(C)cc(=O)[n-]3)c12	ZINC000072468826	208029224	/nfs/dbraw/zinc/02/92/24/208029224.db2.gz	AKBRKJWNVCPWTR-UHFFFAOYSA-N	-1	3	376.424	1.780	50	0		GDAAHM
CN[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1	ZINC000077387440	208042574	/nfs/dbraw/zinc/04/25/74/208042574.db2.gz	XZXDBMOLYCBIDT-JTQLQIEISA-N	-1	3	395.510	1.140	50	0		GDAAHM
O=C(c1ncccc1[O-])N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1	ZINC000092080902	208148808	/nfs/dbraw/zinc/14/88/08/208148808.db2.gz	TURROMCDHRAQGY-UHFFFAOYSA-N	-1	3	383.452	1.598	50	0		GDAAHM
CN(C)CCOc1ccccc1CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-]	ZINC000095389008	208176198	/nfs/dbraw/zinc/17/61/98/208176198.db2.gz	ZVQPUZKPRDZIKO-INIZCTEOSA-N	-1	3	375.469	1.182	50	0		GDAAHM
CCOc1cc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)ccc1OC	ZINC000095391273	208179914	/nfs/dbraw/zinc/17/99/14/208179914.db2.gz	VWRBEOYYDDZXOP-OAHLLOKOSA-N	-1	3	376.453	1.991	50	0		GDAAHM
CCC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C3CC3)o2)CCN1CCOC	ZINC000095452759	208183449	/nfs/dbraw/zinc/18/34/49/208183449.db2.gz	BVFAXYKSPHTSNQ-HNNXBMFYSA-N	-1	3	399.513	1.293	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000095959491	208245299	/nfs/dbraw/zinc/24/52/99/208245299.db2.gz	ZHAZUOTWMHGSMW-LLVKDONJSA-N	-1	3	377.451	1.634	50	0		GDAAHM
CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cnc(-c2csc(C)n2)[n-]c1=O	ZINC000096132593	208266313	/nfs/dbraw/zinc/26/63/13/208266313.db2.gz	DSQGWRBNQSITEB-JSGCOSHPSA-N	-1	3	377.470	1.452	50	0		GDAAHM
COc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)cn1	ZINC000097743588	208361088	/nfs/dbraw/zinc/36/10/88/208361088.db2.gz	VFELTITUCHHCRR-AWEZNQCLSA-N	-1	3	379.420	1.984	50	0		GDAAHM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCO[C@@H](c2ccccc2)C1	ZINC000101374937	208392599	/nfs/dbraw/zinc/39/25/99/208392599.db2.gz	RREGBMLWHVXIEC-LJQANCHMSA-N	-1	3	386.448	1.751	50	0		GDAAHM
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O	ZINC000024887860	208871089	/nfs/dbraw/zinc/87/10/89/208871089.db2.gz	MVGNQDWYDZVITK-UHFFFAOYSA-N	-1	3	388.453	1.684	50	0		GDAAHM
CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)cc1	ZINC000253534916	209042808	/nfs/dbraw/zinc/04/28/08/209042808.db2.gz	VAPOOCJUSXZASU-MQMHXKEQSA-N	-1	3	376.438	1.620	50	0		GDAAHM
COC(=O)c1cn(-c2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc2c(=O)[nH]nc1-2	ZINC000253623996	209043118	/nfs/dbraw/zinc/04/31/18/209043118.db2.gz	YOHDMGGZEZNVSM-UHFFFAOYSA-N	-1	3	377.360	1.923	50	0		GDAAHM
Cc1cc(C(=O)COC(=O)CC[C@H]2NC(=O)[N-]C2=O)c(C)n1-c1nccs1	ZINC000025255549	570409622	/nfs/dbraw/zinc/40/96/22/570409622.db2.gz	BCLMIACVZNVYOE-GFCCVEGCSA-N	-1	3	390.421	1.265	50	0		GDAAHM
Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1	ZINC000032969028	570550641	/nfs/dbraw/zinc/55/06/41/570550641.db2.gz	JYFUGPKOIHCLKG-UHFFFAOYSA-N	-1	3	387.399	1.745	50	0		GDAAHM
O=S(=O)([N-]C[C@@H]1CCCO1)c1c2nonc2ccc1NC[C@H]1CCCO1	ZINC000035606310	570555920	/nfs/dbraw/zinc/55/59/20/570555920.db2.gz	OFNQGNQQCAFOSZ-NEPJUHHUSA-N	-1	3	382.442	1.271	50	0		GDAAHM
CN1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CC1	ZINC000048170725	570655829	/nfs/dbraw/zinc/65/58/29/570655829.db2.gz	MFTXWEXVISOWPQ-UHFFFAOYSA-N	-1	3	378.480	1.624	50	0		GDAAHM
COc1ccc([O-])c(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1	ZINC000012805394	570718572	/nfs/dbraw/zinc/71/85/72/570718572.db2.gz	QFRWXHUOAJGOCI-UHFFFAOYSA-N	-1	3	394.431	1.595	50	0		GDAAHM
Cc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)ccc1[N-]S(C)(=O)=O	ZINC000013683554	570773790	/nfs/dbraw/zinc/77/37/90/570773790.db2.gz	VQFJFQZXZNETHL-UHFFFAOYSA-N	-1	3	388.449	1.809	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(C(C)=O)cc1	ZINC000032747183	570793016	/nfs/dbraw/zinc/79/30/16/570793016.db2.gz	HASBIVNJNHKRRV-UHFFFAOYSA-N	-1	3	375.406	1.798	50	0		GDAAHM
COc1ccc([O-])c(C(=O)N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)c1	ZINC000067847480	570794137	/nfs/dbraw/zinc/79/41/37/570794137.db2.gz	AZMZYRQLEREZSB-UHFFFAOYSA-N	-1	3	399.451	1.706	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)[C@H]1CC(=O)N(CCc2ccccc2)C1=O	ZINC000032771873	570805480	/nfs/dbraw/zinc/80/54/80/570805480.db2.gz	TZIHCKQFHASITN-HNNXBMFYSA-N	-1	3	396.472	1.787	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCc1ccc(F)cc1	ZINC000031618236	570818250	/nfs/dbraw/zinc/81/82/50/570818250.db2.gz	VBSLPNAHQLLYCQ-UHFFFAOYSA-N	-1	3	379.413	1.455	50	0		GDAAHM
Cc1nnsc1C(=O)N1CCC(C[N-]S(=O)(=O)c2c(C)noc2C)CC1	ZINC000043958075	570845100	/nfs/dbraw/zinc/84/51/00/570845100.db2.gz	RROVEGXLROXBEC-UHFFFAOYSA-N	-1	3	399.498	1.282	50	0		GDAAHM
CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2nnn[n-]2)CCC(=O)N1CC1CC1	ZINC000071751822	570846740	/nfs/dbraw/zinc/84/67/40/570846740.db2.gz	MQKDFOMIGKUNOS-KRWDZBQOSA-N	-1	3	382.468	1.976	50	0		GDAAHM
CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)CCC(=O)N1CC1CC1	ZINC000071751822	570846742	/nfs/dbraw/zinc/84/67/42/570846742.db2.gz	MQKDFOMIGKUNOS-KRWDZBQOSA-N	-1	3	382.468	1.976	50	0		GDAAHM
CC(C)c1cc([N-]C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)on1	ZINC000102592263	570853165	/nfs/dbraw/zinc/85/31/65/570853165.db2.gz	LUFANWVMKHRNEE-TXEJJXNPSA-N	-1	3	377.397	1.455	50	0		GDAAHM
Cc1nc(C)c(CCC(=O)N2CCN(c3ncccc3Cl)CC2)c(=O)[n-]1	ZINC000097127158	570964424	/nfs/dbraw/zinc/96/44/24/570964424.db2.gz	XFJRYMWSEZEASH-UHFFFAOYSA-N	-1	3	375.860	1.717	50	0		GDAAHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@@H]2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2S1	ZINC000107169867	570971933	/nfs/dbraw/zinc/97/19/33/570971933.db2.gz	PBQVSGVMZXQOLQ-IJEWVQPXSA-N	-1	3	394.408	1.870	50	0		GDAAHM
C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(S(C)(=O)=O)c2)C1=O	ZINC000011366635	570986641	/nfs/dbraw/zinc/98/66/41/570986641.db2.gz	HCEJLZNHFOCHBE-GOSISDBHSA-N	-1	3	387.417	1.202	50	0		GDAAHM
COc1cc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1OC	ZINC000007758233	571032187	/nfs/dbraw/zinc/03/21/87/571032187.db2.gz	VOGNTSQRORASIL-UHFFFAOYSA-N	-1	3	377.397	1.612	50	0		GDAAHM
CN(CCC[C@@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067588657	677676414	/nfs/dbraw/zinc/67/64/14/677676414.db2.gz	UPAVRXPFYIJAGN-LLVKDONJSA-N	-1	3	388.511	1.672	50	0		GDAAHM
CN(CCC[C@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067588663	677676416	/nfs/dbraw/zinc/67/64/16/677676416.db2.gz	UPAVRXPFYIJAGN-NSHDSACASA-N	-1	3	388.511	1.672	50	0		GDAAHM
Cc1cc(C(=O)NCCc2cn3ccsc3n2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426667315	231250413	/nfs/dbraw/zinc/25/04/13/231250413.db2.gz	FRASIKCQTOKACN-UHFFFAOYSA-N	-1	3	384.421	1.024	50	0		GDAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC=C(c2ccccc2)CC1	ZINC000008726454	530549696	/nfs/dbraw/zinc/54/96/96/530549696.db2.gz	GJUULDQFMWNXSO-UHFFFAOYSA-N	-1	3	390.237	1.615	50	0		GDAAHM
COc1ccccc1C(=O)COC(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000005971357	530540709	/nfs/dbraw/zinc/54/07/09/530540709.db2.gz	VRGCPEWPYDMGDN-UHFFFAOYSA-N	-1	3	383.447	1.851	50	0		GDAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000007375458	530545839	/nfs/dbraw/zinc/54/58/39/530545839.db2.gz	RKUBNRSZGHUJNZ-UHFFFAOYSA-N	-1	3	376.406	1.133	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](CC(C)C)N1CCOCC1	ZINC000012982901	530557198	/nfs/dbraw/zinc/55/71/98/530557198.db2.gz	BWPSKNVDDCMRFW-ZDUSSCGKSA-N	-1	3	390.527	1.560	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)on1	ZINC000036056156	530613963	/nfs/dbraw/zinc/61/39/63/530613963.db2.gz	YBRXNFOROCIFAR-LBPRGKRZSA-N	-1	3	384.483	1.378	50	0		GDAAHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCN(C)C(=O)C1	ZINC000170616373	530586491	/nfs/dbraw/zinc/58/64/91/530586491.db2.gz	YOGNNHLXJRVSLM-MRVPVSSYSA-N	-1	3	395.250	1.496	50	0		GDAAHM
Cc1cnn([C@H](C)CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)c1	ZINC000067742917	530779234	/nfs/dbraw/zinc/77/92/34/530779234.db2.gz	UZYDYUNRVFWCOU-SNVBAGLBSA-N	-1	3	384.483	1.136	50	0		GDAAHM
Cc1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)c1c(Cl)nc3sccn31)C2	ZINC000071736408	530804479	/nfs/dbraw/zinc/80/44/79/530804479.db2.gz	WYXFURKXDYOJPN-UHFFFAOYSA-N	-1	3	385.858	1.188	50	0		GDAAHM
COc1ccsc1S(=O)(=O)[N-][C@@H](C)Cn1ncc2ccccc2c1=O	ZINC000120859714	530946153	/nfs/dbraw/zinc/94/61/53/530946153.db2.gz	VXPGYCWVDDYIEY-NSHDSACASA-N	-1	3	379.463	1.834	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)O[C@H](C(N)=O)c1ccccc1	ZINC000096309086	206300300	/nfs/dbraw/zinc/30/03/00/206300300.db2.gz	FHGNWFUXAKJRAO-CUCQIJPSSA-N	-1	3	388.445	1.735	50	0		GDAAHM
COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(OC)c1OC(C)=O	ZINC000000801823	206323123	/nfs/dbraw/zinc/32/31/23/206323123.db2.gz	LXTUOSHMYZZCSV-HNNXBMFYSA-N	-1	3	381.410	1.630	50	0		GDAAHM
CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1nnc(CC)s1	ZINC000010213756	206374519	/nfs/dbraw/zinc/37/45/19/206374519.db2.gz	DIXLWHOFUNILLI-UHFFFAOYSA-N	-1	3	383.455	1.400	50	0		GDAAHM
CC[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1	ZINC000014016695	207007488	/nfs/dbraw/zinc/00/74/88/207007488.db2.gz	IDWAGUDUKSMJSE-LLVKDONJSA-N	-1	3	380.242	1.609	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@H]2C=CCC2)c(=O)[n-]c1=O	ZINC000014633315	207025248	/nfs/dbraw/zinc/02/52/48/207025248.db2.gz	SQIUIQUULRSHFD-HNNXBMFYSA-N	-1	3	398.463	1.655	50	0		GDAAHM
CC1=C(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)OCCO1	ZINC000014981483	207038500	/nfs/dbraw/zinc/03/85/00/207038500.db2.gz	HKDWIEPBMQCXHR-ZDUSSCGKSA-N	-1	3	386.495	1.543	50	0		GDAAHM
COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCC(C(N)=O)CC2)c1	ZINC000022609818	207257323	/nfs/dbraw/zinc/25/73/23/207257323.db2.gz	YPOVVHIGUCEQEU-AWEZNQCLSA-N	-1	3	387.465	1.792	50	0		GDAAHM
Cc1nccnc1-c1cc(=O)[n-]c(-c2cccc(CN3CCC[C@H]3C(N)=O)c2)n1	ZINC000023505956	207277302	/nfs/dbraw/zinc/27/73/02/207277302.db2.gz	USDHPJIMUHYNJQ-KRWDZBQOSA-N	-1	3	390.447	1.652	50	0		GDAAHM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCS(=O)(=O)C1	ZINC000026984265	207320484	/nfs/dbraw/zinc/32/04/84/207320484.db2.gz	RXMSTPJGUMLTMM-IBGZPJMESA-N	-1	3	389.477	1.371	50	0		GDAAHM
O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCc1ccc2c(c1)OCO2	ZINC000040122815	207344821	/nfs/dbraw/zinc/34/48/21/207344821.db2.gz	RBOWDJCDNOSIMD-UHFFFAOYSA-N	-1	3	393.399	1.346	50	0		GDAAHM
Cc1cc(-c2nn(C)c(Cl)c2CN2CCc3[nH]cnc3[C@@H]2C(=O)[O-])no1	ZINC000072433227	208024565	/nfs/dbraw/zinc/02/45/65/208024565.db2.gz	ZLMQMWSGIUBXSE-CQSZACIVSA-N	-1	3	376.804	1.944	50	0		GDAAHM
Cc1ncn(-c2cc(NCC[N-]S(=O)(=O)c3ccccc3F)ncn2)c1C	ZINC000072437320	208027868	/nfs/dbraw/zinc/02/78/68/208027868.db2.gz	XCWLEBADANYCRH-UHFFFAOYSA-N	-1	3	390.444	1.809	50	0		GDAAHM
Cc1cc(C)n(-c2cc(NCC[N-]S(=O)(=O)c3ccccc3F)ncn2)n1	ZINC000082230676	208085788	/nfs/dbraw/zinc/08/57/88/208085788.db2.gz	NKLWGLAQMBDODB-UHFFFAOYSA-N	-1	3	390.444	1.809	50	0		GDAAHM
Cc1ncsc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091462577	208120112	/nfs/dbraw/zinc/12/01/12/208120112.db2.gz	TXLQDFZFEMSNJX-CABCVRRESA-N	-1	3	380.514	1.394	50	0		GDAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@H]1CN1CCOCC1	ZINC000095374295	208169384	/nfs/dbraw/zinc/16/93/84/208169384.db2.gz	AFFYQVVSDIDRPG-KRWDZBQOSA-N	-1	3	386.452	1.070	50	0		GDAAHM
CC[C@@]1(O)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1	ZINC000091935117	208144911	/nfs/dbraw/zinc/14/49/11/208144911.db2.gz	WJOKCUOQQLSTFT-MRXNPFEDSA-N	-1	3	376.425	1.607	50	0		GDAAHM
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCc3nnc4ccccn43)cc2O1	ZINC000095474164	208193320	/nfs/dbraw/zinc/19/33/20/208193320.db2.gz	NKKHZFKLTSQZNO-UHFFFAOYSA-N	-1	3	396.403	1.874	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(C)C	ZINC000096504058	208318150	/nfs/dbraw/zinc/31/81/50/208318150.db2.gz	DCIURVSBUVMCLD-LENZSSGSSA-N	-1	3	396.509	1.917	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1	ZINC000096025896	209007294	/nfs/dbraw/zinc/00/72/94/209007294.db2.gz	FEJGAEQKMUHANN-UHFFFAOYSA-N	-1	3	395.460	1.782	50	0		GDAAHM
CN(C)c1nc([C@H]2C[C@@H](NC(=O)CC3=CSC4=NCCCN34)C2)cc(=O)[n-]1	ZINC000253535047	209043821	/nfs/dbraw/zinc/04/38/21/209043821.db2.gz	AXJCRYFEKSOPRQ-TXEJJXNPSA-N	-1	3	388.497	1.650	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)n1	ZINC000253537193	209044309	/nfs/dbraw/zinc/04/43/09/209044309.db2.gz	BBOPKOGAFKZJCH-UHFFFAOYSA-N	-1	3	380.404	1.996	50	0		GDAAHM
CC(C)c1ccc(N2CCC([C@@]3(c4ccccn4)NC(=O)[N-]C3=O)CC2)nn1	ZINC000067688340	136164827	/nfs/dbraw/zinc/16/48/27/136164827.db2.gz	WDNYQBHBDKMLIZ-FQEVSTJZSA-N	-1	3	380.452	1.946	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1	ZINC000072149803	136167081	/nfs/dbraw/zinc/16/70/81/136167081.db2.gz	XUWATUWKULYQLT-HNNXBMFYSA-N	-1	3	385.443	1.336	50	0		GDAAHM
CN1CC[C@](C)(CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096131750	136184110	/nfs/dbraw/zinc/18/41/10/136184110.db2.gz	LTURACCRUSRLBT-LJQANCHMSA-N	-1	3	377.489	1.429	50	0		GDAAHM
Cc1c(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)cnc2cc(=O)[n-]n21	ZINC000299763368	209085379	/nfs/dbraw/zinc/08/53/79/209085379.db2.gz	VACSFUFDHYTSKL-UHFFFAOYSA-N	-1	3	377.448	1.256	50	0		GDAAHM
COC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)N2CCC2)c1)c1ccccn1	ZINC000215243282	570286340	/nfs/dbraw/zinc/28/63/40/570286340.db2.gz	PJVABKHQTKHEQL-KRWDZBQOSA-N	-1	3	375.450	1.594	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1ccco1)n1cccn1	ZINC000575612816	570337845	/nfs/dbraw/zinc/33/78/45/570337845.db2.gz	CKHZPZMXNKCVRZ-LLVKDONJSA-N	-1	3	381.435	1.892	50	0		GDAAHM
COc1ccccc1OCCN1CCC2(C[C@H](C(=O)[O-])N(C(C)=O)C2)CC1	ZINC000072146720	570343447	/nfs/dbraw/zinc/34/34/47/570343447.db2.gz	INJJDNZVWXEHLR-MRXNPFEDSA-N	-1	3	376.453	1.862	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]C2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1	ZINC000390828950	570358379	/nfs/dbraw/zinc/35/83/79/570358379.db2.gz	CIRYQAHLWHLDAD-UHFFFAOYSA-N	-1	3	390.391	1.176	50	0		GDAAHM
O=C(c1ccco1)N1CCC([N-]S(=O)(=O)c2cccc3nonc32)CC1	ZINC000061718488	570501512	/nfs/dbraw/zinc/50/15/12/570501512.db2.gz	JTWGIWMSGGVHCV-UHFFFAOYSA-N	-1	3	376.394	1.399	50	0		GDAAHM
Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCOCC2)c1[O-]	ZINC000032980162	570571645	/nfs/dbraw/zinc/57/16/45/570571645.db2.gz	OVTNPRZLNPZJAB-UHFFFAOYSA-N	-1	3	380.400	1.969	50	0		GDAAHM
O=C([N-]n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O)c1ccncc1	ZINC000040388253	570599468	/nfs/dbraw/zinc/59/94/68/570599468.db2.gz	WXUYEEAIPQXFEI-UHFFFAOYSA-N	-1	3	383.371	1.885	50	0		GDAAHM
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000036393800	570678416	/nfs/dbraw/zinc/67/84/16/570678416.db2.gz	MRMBAHRLIDKUKB-LLVKDONJSA-N	-1	3	395.419	1.402	50	0		GDAAHM
COc1cc(OC)c([C@H]2c3c(C)[nH]nc3Nc3[nH]c(=O)[n-]c(=O)c32)cc1OC	ZINC000072332960	570705904	/nfs/dbraw/zinc/70/59/04/570705904.db2.gz	KGYAKPUZQHWARR-ZDUSSCGKSA-N	-1	3	385.380	1.358	50	0		GDAAHM
NC(=O)NCc1ccc(C(=O)OCC2=NS(=O)(=O)c3ccccc3[N-]2)cc1	ZINC000058179869	570716900	/nfs/dbraw/zinc/71/69/00/570716900.db2.gz	YSSQZBCLODJQAJ-UHFFFAOYSA-N	-1	3	388.405	1.225	50	0		GDAAHM
NC(=O)c1ccc([N-]C(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1	ZINC000065236709	570743519	/nfs/dbraw/zinc/74/35/19/570743519.db2.gz	OHEJZNCVWUIOIL-UHFFFAOYSA-N	-1	3	393.338	1.808	50	0		GDAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1cccnc1-n1cnc2ccccc21	ZINC000067675558	570785832	/nfs/dbraw/zinc/78/58/32/570785832.db2.gz	BCVZEUWAJTZXJC-CQSZACIVSA-N	-1	3	378.392	1.025	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)n1	ZINC000238847458	570806675	/nfs/dbraw/zinc/80/66/75/570806675.db2.gz	IQNFBENSQAQSOT-OAHLLOKOSA-N	-1	3	395.463	1.629	50	0		GDAAHM
O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N1CCOCC1	ZINC000004679749	570825994	/nfs/dbraw/zinc/82/59/94/570825994.db2.gz	RCMBQTDHMIZTQX-INIZCTEOSA-N	-1	3	378.787	1.924	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1ccc(-n2cccn2)nc1	ZINC000012522076	570828775	/nfs/dbraw/zinc/82/87/75/570828775.db2.gz	BUBLCZTXTWTQDP-UHFFFAOYSA-N	-1	3	391.478	1.314	50	0		GDAAHM
Cn1ccnc1[C@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1	ZINC000012525065	570829913	/nfs/dbraw/zinc/82/99/13/570829913.db2.gz	XWXVKOFCVPDZPC-GOSISDBHSA-N	-1	3	389.415	1.329	50	0		GDAAHM
CC(C)[C@H]1CN(C(=O)Cc2n[nH]c(=O)[n-]2)CCCN1Cc1ccc(F)cc1	ZINC000071760173	570849538	/nfs/dbraw/zinc/84/95/38/570849538.db2.gz	VAYCMGRQZDSVFK-MRXNPFEDSA-N	-1	3	375.448	1.539	50	0		GDAAHM
Cc1nccn1CC1CCN(Cc2cc3n(n2)CCCN(CC(=O)[O-])C3)CC1	ZINC000072139168	570869388	/nfs/dbraw/zinc/86/93/88/570869388.db2.gz	CSORTZOHUFRZGD-UHFFFAOYSA-N	-1	3	386.500	1.591	50	0		GDAAHM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1	ZINC000106549982	570965003	/nfs/dbraw/zinc/96/50/03/570965003.db2.gz	LRFLYGAWILIZLP-XSLAGTTESA-N	-1	3	396.399	1.607	50	0		GDAAHM
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1	ZINC000083881792	570974751	/nfs/dbraw/zinc/97/47/51/570974751.db2.gz	QLCQVFVWLPFJTR-AWEZNQCLSA-N	-1	3	383.445	1.007	50	0		GDAAHM
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O	ZINC000008189337	606858396	/nfs/dbraw/zinc/85/83/96/606858396.db2.gz	NYUZDTGHKGLQOC-LJQANCHMSA-N	-1	3	391.391	1.272	50	0		GDAAHM
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O	ZINC000008189337	606858398	/nfs/dbraw/zinc/85/83/98/606858398.db2.gz	NYUZDTGHKGLQOC-LJQANCHMSA-N	-1	3	391.391	1.272	50	0		GDAAHM
CN(C)[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2	ZINC000426434803	231220720	/nfs/dbraw/zinc/22/07/20/231220720.db2.gz	DXOLICRLVVNSHT-QGZVFWFLSA-N	-1	3	380.408	1.515	50	0		GDAAHM
CN(C)[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2	ZINC000426434803	231220722	/nfs/dbraw/zinc/22/07/22/231220722.db2.gz	DXOLICRLVVNSHT-QGZVFWFLSA-N	-1	3	380.408	1.515	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1nnc(SCC(=O)N(CC)CC)s1	ZINC000009479876	530550991	/nfs/dbraw/zinc/55/09/91/530550991.db2.gz	QYQFFZZHFVBSJG-UHFFFAOYSA-N	-1	3	392.528	1.863	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1nnc(SCC(=O)N(CC)CC)s1	ZINC000009479876	530550993	/nfs/dbraw/zinc/55/09/93/530550993.db2.gz	QYQFFZZHFVBSJG-UHFFFAOYSA-N	-1	3	392.528	1.863	50	0		GDAAHM
C[C@H](OC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1	ZINC000012818567	530557712	/nfs/dbraw/zinc/55/77/12/530557712.db2.gz	CJHZWBSUCIFGMV-LBPRGKRZSA-N	-1	3	388.511	1.797	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1nncs1	ZINC000021215601	530570608	/nfs/dbraw/zinc/57/06/08/530570608.db2.gz	HUCQIKGMLOTVEM-ZETCQYMHSA-N	-1	3	380.373	1.862	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4cccc(Br)c4)C(=O)[C@H]23)cnn1C	ZINC000101104164	530823877	/nfs/dbraw/zinc/82/38/77/530823877.db2.gz	PDYAFLFQWXIAQN-OCCSQVGLSA-N	-1	3	389.209	1.784	50	0		GDAAHM
Cc1noc2ncnc(N3CCC([N-]S(=O)(=O)c4cccs4)CC3)c12	ZINC000193386192	530985681	/nfs/dbraw/zinc/98/56/81/530985681.db2.gz	IRZGGDNWGCNIMJ-UHFFFAOYSA-N	-1	3	379.467	1.935	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(C(C)=O)C2=O	ZINC000001075436	206350089	/nfs/dbraw/zinc/35/00/89/206350089.db2.gz	QJDNEWGABXPKGO-OAHLLOKOSA-N	-1	3	380.813	1.388	50	0		GDAAHM
COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCN3CCCCC3)C2=O)cc1	ZINC000020334726	207188206	/nfs/dbraw/zinc/18/82/06/207188206.db2.gz	OSKIDYVXLUMSPX-SAPNQHFASA-N	-1	3	386.452	1.628	50	0		GDAAHM
O=C([N-]c1nc[nH]n1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1	ZINC000023141291	207270090	/nfs/dbraw/zinc/27/00/90/207270090.db2.gz	WIKXLASUYRCMKN-UHFFFAOYSA-N	-1	3	389.462	1.866	50	0		GDAAHM
COCCN1C(=O)c2ccc(C(=O)[N-]c3nnc(COC)s3)cc2C1=O	ZINC000031807606	207387367	/nfs/dbraw/zinc/38/73/67/207387367.db2.gz	DAOLQVKYYZYEBY-UHFFFAOYSA-N	-1	3	376.394	1.179	50	0		GDAAHM
CCCN(C[C@@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067770089	207905281	/nfs/dbraw/zinc/90/52/81/207905281.db2.gz	QJALLGWMWPNTFK-NSHDSACASA-N	-1	3	388.511	1.672	50	0		GDAAHM
Cc1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)c1ccc(-c3ccon3)s1)C2	ZINC000071750115	207952584	/nfs/dbraw/zinc/95/25/84/207952584.db2.gz	JIVLNTADRCTTAB-UHFFFAOYSA-N	-1	3	378.435	1.542	50	0		GDAAHM
CC1=C(CCN2CCOC[C@H]2CC(=O)NCc2nn[n-]n2)C(C)(C)CCC1	ZINC000072409536	208015871	/nfs/dbraw/zinc/01/58/71/208015871.db2.gz	RYOZAXDOZCLNTM-OAHLLOKOSA-N	-1	3	376.505	1.824	50	0		GDAAHM
CC1=C(CCN2CCOC[C@H]2CC(=O)NCc2nnn[n-]2)C(C)(C)CCC1	ZINC000072409536	208015878	/nfs/dbraw/zinc/01/58/78/208015878.db2.gz	RYOZAXDOZCLNTM-OAHLLOKOSA-N	-1	3	376.505	1.824	50	0		GDAAHM
Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)o1	ZINC000072433574	208025452	/nfs/dbraw/zinc/02/54/52/208025452.db2.gz	DNOGBPBCRWJSCE-MSOLQXFVSA-N	-1	3	390.461	1.417	50	0		GDAAHM
CCOc1ccccc1[C@@H](C(=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1	ZINC000095386906	208175223	/nfs/dbraw/zinc/17/52/23/208175223.db2.gz	XSMVTCRENZTILJ-SFHVURJKSA-N	-1	3	376.453	1.782	50	0		GDAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)C1CCN(Cc2ccco2)CC1	ZINC000095379368	208173040	/nfs/dbraw/zinc/17/30/40/208173040.db2.gz	ABRSIAHXPQDLPI-UHFFFAOYSA-N	-1	3	396.447	1.724	50	0		GDAAHM
Cc1nn2c([n-]1)nc(CN1CCC3(CCC(=O)N(CC4CC4)C3)CC1)cc2=O	ZINC000091951349	208145240	/nfs/dbraw/zinc/14/52/40/208145240.db2.gz	QIWIRFLENQBSMW-UHFFFAOYSA-N	-1	3	384.484	1.753	50	0		GDAAHM
Cc1ncc(-c2nc(-c3ccc(C(N)=O)cc3)nn2CC(F)(F)F)c(=O)[n-]1	ZINC000096138721	208269129	/nfs/dbraw/zinc/26/91/29/208269129.db2.gz	UZCYCDCSZABBRH-UHFFFAOYSA-N	-1	3	378.314	1.665	50	0		GDAAHM
CN1CCC(Cc2nc([C@H]3CC(=O)OC34CCCC4)n(CC(=O)[O-])n2)CC1	ZINC000097675422	208362188	/nfs/dbraw/zinc/36/21/88/208362188.db2.gz	MIJWCWXHENTRNX-CQSZACIVSA-N	-1	3	376.457	1.590	50	0		GDAAHM
Cn1c2[nH]c(=S)n(C[C@@H](O)COc3ccc4ccccc4c3)c2c(=O)[n-]c1=O	ZINC000100630104	208377656	/nfs/dbraw/zinc/37/76/56/208377656.db2.gz	BFFSRRAKFFTYRB-CYBMUJFWSA-N	-1	3	398.444	1.305	50	0		GDAAHM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100070391	208372640	/nfs/dbraw/zinc/37/26/40/208372640.db2.gz	KPVNJWTUJVZBLZ-SJLPKXTDSA-N	-1	3	393.399	1.993	50	0		GDAAHM
Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]2C[C@@H](O)C2)cn1	ZINC000244716206	209024044	/nfs/dbraw/zinc/02/40/44/209024044.db2.gz	LKOBGTGZHZUYIH-FLBPPNCPSA-N	-1	3	375.372	1.628	50	0		GDAAHM
CC(C)n1cnc(S(=O)(=O)[N-]CC2CCN(c3ncc(F)cn3)CC2)c1	ZINC000244969149	209027424	/nfs/dbraw/zinc/02/74/24/209027424.db2.gz	HBCSDYFJMTVDAJ-UHFFFAOYSA-N	-1	3	382.465	1.588	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(N4CCOCC4)cc3)CC2)n1	ZINC000253537249	209043591	/nfs/dbraw/zinc/04/35/91/209043591.db2.gz	HCRRNLXDJUBMDK-UHFFFAOYSA-N	-1	3	397.479	1.726	50	0		GDAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1ccc(Cl)cc1	ZINC000008705389	221050978	/nfs/dbraw/zinc/05/09/78/221050978.db2.gz	MYULIHVYCWZGPB-UHFFFAOYSA-N	-1	3	386.633	1.311	50	0		GDAAHM
Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)nc(N(C)C)n1	ZINC000091808420	136177285	/nfs/dbraw/zinc/17/72/85/136177285.db2.gz	ZLZHBPIKBXDMEI-SJORKVTESA-N	-1	3	390.532	1.158	50	0		GDAAHM
Cc1cccc(CN2CCN(C(=O)NCCc3nc(C)cc(=O)[n-]3)CC2=O)c1	ZINC000426438625	534707766	/nfs/dbraw/zinc/70/77/66/534707766.db2.gz	KMSHENQCZVXFME-UHFFFAOYSA-N	-1	3	383.452	1.396	50	0		GDAAHM
CC(C)n1cc(CN2C[C@H]3CN(C(=O)Cc4ccncc4)C[C@@]3(C(=O)[O-])C2)cn1	ZINC000216346136	570299333	/nfs/dbraw/zinc/29/93/33/570299333.db2.gz	YJVOAYNUDSOPPO-RXVVDRJESA-N	-1	3	397.479	1.447	50	0		GDAAHM
Cc1nnc2c(N3CC[C@H]([N-]S(=O)(=O)c4ccc(F)c(F)c4)C3)nccn12	ZINC000575414447	570303416	/nfs/dbraw/zinc/30/34/16/570303416.db2.gz	HKUBYWBRBNAYBG-NSHDSACASA-N	-1	3	394.407	1.268	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]Cc2nc(OC)nc(N(C)C)n2)cc1Cl	ZINC000575605399	570328838	/nfs/dbraw/zinc/32/88/38/570328838.db2.gz	AEGQYQPDWPWFNQ-UHFFFAOYSA-N	-1	3	387.849	1.087	50	0		GDAAHM
CC(=O)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000003665233	570350100	/nfs/dbraw/zinc/35/01/00/570350100.db2.gz	ZRACIFIPHJWNOB-UHFFFAOYSA-N	-1	3	388.405	1.733	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1ccc2ccn(C)c2c1=O	ZINC000575617396	570360715	/nfs/dbraw/zinc/36/07/15/570360715.db2.gz	OYDZQCVXHUSPAS-UHFFFAOYSA-N	-1	3	395.868	1.981	50	0		GDAAHM
COc1cc(Cl)c(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1OC	ZINC000010587463	570501671	/nfs/dbraw/zinc/50/16/71/570501671.db2.gz	PAXDGROBMVJXQZ-UHFFFAOYSA-N	-1	3	389.795	1.999	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2cccnc2)CC1	ZINC000071283867	570524168	/nfs/dbraw/zinc/52/41/68/570524168.db2.gz	UDFVPEBPMWIFAF-GOSISDBHSA-N	-1	3	382.464	1.929	50	0		GDAAHM
CCN1CCN(c2nc(CSc3nnnn3-c3ccccc3)cc(=O)[n-]2)CC1	ZINC000009614650	570560255	/nfs/dbraw/zinc/56/02/55/570560255.db2.gz	XOQMRHXCACMHJB-UHFFFAOYSA-N	-1	3	398.496	1.180	50	0		GDAAHM
Cc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1	ZINC000005172792	570659898	/nfs/dbraw/zinc/65/98/98/570659898.db2.gz	LNBSOURXZWFNRA-UHFFFAOYSA-N	-1	3	393.446	1.315	50	0		GDAAHM
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2NCC(=O)[O-])CC1	ZINC000055255025	570689363	/nfs/dbraw/zinc/68/93/63/570689363.db2.gz	UHSFLYDIWWIHOV-UHFFFAOYSA-N	-1	3	388.468	1.129	50	0		GDAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3cc(OC)ccc3OC)nc21	ZINC000006936715	570712433	/nfs/dbraw/zinc/71/24/33/570712433.db2.gz	NEIHCWUKAVUQFH-UHFFFAOYSA-N	-1	3	385.376	1.576	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1	ZINC000067692686	570786840	/nfs/dbraw/zinc/78/68/40/570786840.db2.gz	NXJBNTGCKWVCQX-ZDUSSCGKSA-N	-1	3	397.410	1.541	50	0		GDAAHM
COC(=O)[C@@]([O-])(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C(F)(F)F	ZINC000003210266	570837550	/nfs/dbraw/zinc/83/75/50/570837550.db2.gz	PRCVXWYJXOQFSB-AWEZNQCLSA-N	-1	3	381.303	1.507	50	0		GDAAHM
CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-n3ccnc3)nc2)C1=O	ZINC000012544646	570845380	/nfs/dbraw/zinc/84/53/80/570845380.db2.gz	KSNPGILXBFQWJC-FQEVSTJZSA-N	-1	3	390.403	1.769	50	0		GDAAHM
Cc1ncc(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)c(=O)[n-]1	ZINC000072157261	570874373	/nfs/dbraw/zinc/87/43/73/570874373.db2.gz	XCTHKIZBKBJCSJ-INIZCTEOSA-N	-1	3	376.416	1.762	50	0		GDAAHM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)s1	ZINC000023041015	570893458	/nfs/dbraw/zinc/89/34/58/570893458.db2.gz	LOKYTIVJVRRJMS-UHFFFAOYSA-N	-1	3	391.478	1.475	50	0		GDAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000033327149	570981349	/nfs/dbraw/zinc/98/13/49/570981349.db2.gz	ZGVYQQGNSXRYHY-UHFFFAOYSA-N	-1	3	387.417	1.751	50	0		GDAAHM
CN(CC(=O)Nc1ccccc1[O-])S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000012767157	571017909	/nfs/dbraw/zinc/01/79/09/571017909.db2.gz	JTSKUISHVFBTKH-UHFFFAOYSA-N	-1	3	392.433	1.813	50	0		GDAAHM
C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc3c(c2)OCC(=O)N3)C1=O	ZINC000012777132	571030675	/nfs/dbraw/zinc/03/06/75/571030675.db2.gz	NZLBNZPOTQEIFN-IBGZPJMESA-N	-1	3	380.360	1.130	50	0		GDAAHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000170604001	530585750	/nfs/dbraw/zinc/58/57/50/530585750.db2.gz	HVNCLOBWNGZSTB-LBPRGKRZSA-N	-1	3	377.484	1.707	50	0		GDAAHM
O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Br	ZINC000040446122	530619402	/nfs/dbraw/zinc/61/94/02/530619402.db2.gz	QDWOONRKHOFUPQ-MRVPVSSYSA-N	-1	3	386.264	1.301	50	0		GDAAHM
CC(C)n1cc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)cn1	ZINC000067920375	530781012	/nfs/dbraw/zinc/78/10/12/530781012.db2.gz	YORBBSJPTYDBCU-UHFFFAOYSA-N	-1	3	384.483	1.348	50	0		GDAAHM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1	ZINC000226306023	206258217	/nfs/dbraw/zinc/25/82/17/206258217.db2.gz	LRFLYGAWILIZLP-BDXSIMOUSA-N	-1	3	396.399	1.607	50	0		GDAAHM
COc1ccc(OC)c([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1	ZINC000245296709	206280966	/nfs/dbraw/zinc/28/09/66/206280966.db2.gz	OVGMYDZPIPGWKX-OWSLCNJRSA-N	-1	3	396.399	1.607	50	0		GDAAHM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1	ZINC000245246433	206280988	/nfs/dbraw/zinc/28/09/88/206280988.db2.gz	LRFLYGAWILIZLP-MHORFTMASA-N	-1	3	396.399	1.607	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](Cn1nccn1)c1ccccc1	ZINC000253473787	206284857	/nfs/dbraw/zinc/28/48/57/206284857.db2.gz	YKNLYDXAOZRGEC-CYBMUJFWSA-N	-1	3	392.462	1.846	50	0		GDAAHM
Cc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000009571154	206336781	/nfs/dbraw/zinc/33/67/81/206336781.db2.gz	RKIXSHPIYJNVFG-UHFFFAOYSA-N	-1	3	387.421	1.220	50	0		GDAAHM
CCn1nnc2cc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21	ZINC000014231097	207016978	/nfs/dbraw/zinc/01/69/78/207016978.db2.gz	LRCPEAXCIQDTLV-LJQANCHMSA-N	-1	3	378.392	1.563	50	0		GDAAHM
Cc1cc(C)c(NC(=O)CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(C)c1	ZINC000015620991	207053572	/nfs/dbraw/zinc/05/35/72/207053572.db2.gz	SPFAHCHRUINNPF-UHFFFAOYSA-N	-1	3	394.431	1.370	50	0		GDAAHM
COc1cc(CN2CCN(CCOCCO)CC2)cc(Br)c1[O-]	ZINC000022033066	207245101	/nfs/dbraw/zinc/24/51/01/207245101.db2.gz	VHAHYFIXGWVVLB-UHFFFAOYSA-N	-1	3	389.290	1.290	50	0		GDAAHM
COC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000022625050	207258212	/nfs/dbraw/zinc/25/82/12/207258212.db2.gz	FRSNXJLXLMEFLE-PBHICJAKSA-N	-1	3	394.468	1.866	50	0		GDAAHM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]N=c1ccc(C(F)(F)F)c[nH]1	ZINC000025044724	207298705	/nfs/dbraw/zinc/29/87/05/207298705.db2.gz	BDQAVWJXBREWCX-UHFFFAOYSA-N	-1	3	395.384	1.809	50	0		GDAAHM
Cc1nn(C)c2nc(-c3ccccn3)nc(NCCc3cc(=O)[n-]c(C)n3)c12	ZINC000072428652	208023097	/nfs/dbraw/zinc/02/30/97/208023097.db2.gz	DUWCUDBIEKMIIP-UHFFFAOYSA-N	-1	3	376.424	1.780	50	0		GDAAHM
Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)N)CC3)s1	ZINC000077421406	208043950	/nfs/dbraw/zinc/04/39/50/208043950.db2.gz	PCLSZNYNVQESTG-UHFFFAOYSA-N	-1	3	395.510	1.269	50	0		GDAAHM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CN1C1CC1	ZINC000079092458	208072858	/nfs/dbraw/zinc/07/28/58/208072858.db2.gz	XCGQTHHKZCWARY-GHMZBOCLSA-N	-1	3	392.930	1.647	50	0		GDAAHM
Cc1c(O)cccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000091644656	208129014	/nfs/dbraw/zinc/12/90/14/208129014.db2.gz	LYNNDSZKSDXZEU-AEFFLSMTSA-N	-1	3	389.496	1.644	50	0		GDAAHM
O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCC(N2CCSCC2)CC1	ZINC000091713289	208134969	/nfs/dbraw/zinc/13/49/69/208134969.db2.gz	DPNCHVGJMZSBHP-UHFFFAOYSA-N	-1	3	385.493	1.898	50	0		GDAAHM
C/C=C(\C)CN1C[C@@H](NC(=O)c2ccc(OC)cc2[O-])C[C@H]1C(=O)NCC	ZINC000091725841	208136040	/nfs/dbraw/zinc/13/60/40/208136040.db2.gz	NAZCKPZNIUVKSD-RQFRMBLGSA-N	-1	3	375.469	1.676	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c(=O)[n-]1	ZINC000095356427	208158055	/nfs/dbraw/zinc/15/80/55/208158055.db2.gz	ADCBGZRNPAWPOI-FUHWJXTLSA-N	-1	3	381.480	1.447	50	0		GDAAHM
Cc1ncc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c(=O)[n-]1	ZINC000095511783	208213496	/nfs/dbraw/zinc/21/34/96/208213496.db2.gz	QMWBLPKCZKNYNU-INIZCTEOSA-N	-1	3	378.436	1.738	50	0		GDAAHM
CCC(=O)N1C[C@H](NC(=O)c2ccc(C)cc2[O-])C[C@H]1C(=O)N(CC)CC	ZINC000096148161	208274083	/nfs/dbraw/zinc/27/40/83/208274083.db2.gz	PBKWNRSUYRYLHJ-ZBFHGGJFSA-N	-1	3	375.469	1.678	50	0		GDAAHM
CS(=O)(=O)N1C[C@H]2CN(Cc3ccc4ccccc4n3)C[C@@]2(C(=O)[O-])C1	ZINC000096152163	208275632	/nfs/dbraw/zinc/27/56/32/208275632.db2.gz	OTXAQJUPROAATN-RDTXWAMCSA-N	-1	3	375.450	1.013	50	0		GDAAHM
Cc1c2ccccc2[nH]c1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000096149422	208277425	/nfs/dbraw/zinc/27/74/25/208277425.db2.gz	NSXPQBBSHJTQAK-FZKQIMNGSA-N	-1	3	377.466	1.254	50	0		GDAAHM
CN(C)C(=O)N1C[C@@H]2CN(Cc3cncn3C3CCCCC3)C[C@]2(C(=O)[O-])C1	ZINC000096154125	208279408	/nfs/dbraw/zinc/27/94/08/208279408.db2.gz	QUOQNRVCFNSSMM-YWZLYKJASA-N	-1	3	389.500	1.888	50	0		GDAAHM
COC(=O)[C@]([N-]S(=O)(=O)c1ccccc1)(C(C(C)=O)C(C)=O)C(F)(F)F	ZINC000100123964	208370731	/nfs/dbraw/zinc/37/07/31/208370731.db2.gz	LPWOAHDAPGPQMG-CQSZACIVSA-N	-1	3	395.355	1.233	50	0		GDAAHM
Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](Nc4ncccn4)[C@H](O)C3)c[n-]c12	ZINC000299802104	209093412	/nfs/dbraw/zinc/09/34/12/209093412.db2.gz	WUYKPFNUPNPOBF-HZPDHXFCSA-N	-1	3	379.420	1.726	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccccc1F)NC1CCN(c2nccs2)CC1	ZINC000096122969	209011543	/nfs/dbraw/zinc/01/15/43/209011543.db2.gz	NFEPTAVTTNQIRG-UHFFFAOYSA-N	-1	3	398.485	1.346	50	0		GDAAHM
CC(C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)c1ccn(C)n1	ZINC000253429874	209041230	/nfs/dbraw/zinc/04/12/30/209041230.db2.gz	DLRULDHGVCFDDR-UHFFFAOYSA-N	-1	3	386.499	1.180	50	0		GDAAHM
CN1c2ccc(F)cc2N(CC[N-]S(=O)(=O)c2cccs2)S1(=O)=O	ZINC000575612104	570336079	/nfs/dbraw/zinc/33/60/79/570336079.db2.gz	KHPSFAQZFZVTTG-UHFFFAOYSA-N	-1	3	391.471	1.367	50	0		GDAAHM
COC1CCN(c2ccc(C(=O)N3CC(Cn4c([O-])coc4=O)C3)cc2)CC1	ZINC000575614970	570352185	/nfs/dbraw/zinc/35/21/85/570352185.db2.gz	AXEFFVSJSFFDFS-UHFFFAOYSA-N	-1	3	387.436	1.353	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2=O)c1	ZINC000575617968	570361980	/nfs/dbraw/zinc/36/19/80/570361980.db2.gz	CFZVREQEPRIMIF-UHFFFAOYSA-N	-1	3	395.462	1.535	50	0		GDAAHM
COc1ccc(CN(C)C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1F	ZINC000013009527	570416431	/nfs/dbraw/zinc/41/64/31/570416431.db2.gz	HZJZHPOIMOHJMM-UHFFFAOYSA-N	-1	3	385.395	1.886	50	0		GDAAHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000248085050	570438418	/nfs/dbraw/zinc/43/84/18/570438418.db2.gz	RGPVJNHIMSQFEG-NEMWNAMBSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1	ZINC000011858133	570440110	/nfs/dbraw/zinc/44/01/10/570440110.db2.gz	VDTRNNGZWJRQLP-UHFFFAOYSA-N	-1	3	396.446	1.563	50	0		GDAAHM
COc1ccc(N2C[C@@H]([N-]S(=O)(=O)c3ccccc3F)CC2=O)cc1OC	ZINC000005222332	570516733	/nfs/dbraw/zinc/51/67/33/570516733.db2.gz	IMPXVHCHYHREQE-LBPRGKRZSA-N	-1	3	394.424	1.927	50	0		GDAAHM
COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21	ZINC000064818650	570553597	/nfs/dbraw/zinc/55/35/97/570553597.db2.gz	DYATWDWLSSUQJE-UHFFFAOYSA-N	-1	3	398.343	1.847	50	0		GDAAHM
CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cccnc1	ZINC000032998124	570582218	/nfs/dbraw/zinc/58/22/18/570582218.db2.gz	FDFIXLWJNAUZKY-OAHLLOKOSA-N	-1	3	397.497	1.937	50	0		GDAAHM
CCOc1ccc(C(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1	ZINC000004278086	570625800	/nfs/dbraw/zinc/62/58/00/570625800.db2.gz	GSLOHWJJSWLXAR-UHFFFAOYSA-N	-1	3	382.372	1.515	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccc2[nH]ccc2c1	ZINC000012388978	570631258	/nfs/dbraw/zinc/63/12/58/570631258.db2.gz	IZAWMOGINVWITD-UHFFFAOYSA-N	-1	3	385.405	1.412	50	0		GDAAHM
NC(=O)C1CCN(C(=O)c2c[n-]c3ccc(OC(F)(F)F)cc3c2=O)CC1	ZINC000044919601	570643393	/nfs/dbraw/zinc/64/33/93/570643393.db2.gz	YPVBGMZYQIPRKR-UHFFFAOYSA-N	-1	3	383.326	1.764	50	0		GDAAHM
O=c1ccc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)o2)n[nH]1	ZINC000006973973	570726129	/nfs/dbraw/zinc/72/61/29/570726129.db2.gz	FAPPTLASBATFGZ-UHFFFAOYSA-N	-1	3	375.362	1.237	50	0		GDAAHM
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000063834501	570750854	/nfs/dbraw/zinc/75/08/54/570750854.db2.gz	HNHNSUDDGMFDFJ-UHFFFAOYSA-N	-1	3	395.415	1.804	50	0		GDAAHM
CC(C)NC(=O)c1cn(C2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)nn1	ZINC000067769496	570790108	/nfs/dbraw/zinc/79/01/08/570790108.db2.gz	RTQWMLFPPNZAOB-UHFFFAOYSA-N	-1	3	382.428	1.165	50	0		GDAAHM
CCn1c(CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)nc2ccccc21	ZINC000012525686	570830254	/nfs/dbraw/zinc/83/02/54/570830254.db2.gz	NOWNRTZPRHZVGM-UHFFFAOYSA-N	-1	3	391.431	1.766	50	0		GDAAHM
COc1ccc(C2=NOC3=C([O-])N(c4ccc5c(c4)OCO5)C(=O)[C@@H]23)cc1OC	ZINC000102553401	570853947	/nfs/dbraw/zinc/85/39/47/570853947.db2.gz	KBYHOWUYOATSFP-FUHWJXTLSA-N	-1	3	396.355	1.725	50	0		GDAAHM
CCOC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(CO)cc(=O)c1[O-]	ZINC000071283267	570887052	/nfs/dbraw/zinc/88/70/52/570887052.db2.gz	ODJTYACKGZOHQX-ZDUSSCGKSA-N	-1	3	378.377	1.940	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000004734451	570897311	/nfs/dbraw/zinc/89/73/11/570897311.db2.gz	BLMTZGRPJQNCLN-UHFFFAOYSA-N	-1	3	397.497	1.904	50	0		GDAAHM
O=C([N-]N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S)c1cccnc1	ZINC000000969914	570953123	/nfs/dbraw/zinc/95/31/23/570953123.db2.gz	UIUJAHVQPDDKSA-OUKQBFOZSA-N	-1	3	382.426	1.950	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCc1nc2ccccc2[nH]1	ZINC000011486151	571048582	/nfs/dbraw/zinc/04/85/82/571048582.db2.gz	CPVOCRGXBPZLEY-UHFFFAOYSA-N	-1	3	391.431	1.705	50	0		GDAAHM
CC(=O)N1CCOc2cc(S(=O)(=O)[N-]Cc3cccnc3)c(Cl)cc21	ZINC000006792863	530542717	/nfs/dbraw/zinc/54/27/17/530542717.db2.gz	SGMVCVPMJJPHPT-UHFFFAOYSA-N	-1	3	381.841	1.959	50	0		GDAAHM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc2[nH]c1=O	ZINC000006733106	530542963	/nfs/dbraw/zinc/54/29/63/530542963.db2.gz	WXEZFUHUFNMYFT-UHFFFAOYSA-N	-1	3	396.222	1.780	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CC3)cc1	ZINC000011906532	530555349	/nfs/dbraw/zinc/55/53/49/530555349.db2.gz	IPTZLWCCNSAGAS-UHFFFAOYSA-N	-1	3	382.463	1.818	50	0		GDAAHM
CCN(Cc1ccncc1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067723256	530779252	/nfs/dbraw/zinc/77/92/52/530779252.db2.gz	GBTSUUPFVXLIGT-UHFFFAOYSA-N	-1	3	381.479	1.698	50	0		GDAAHM
CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000014246823	207017392	/nfs/dbraw/zinc/01/73/92/207017392.db2.gz	SFMDPJAQNLUUCN-UHFFFAOYSA-N	-1	3	379.413	1.492	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1	ZINC000016843521	207080349	/nfs/dbraw/zinc/08/03/49/207080349.db2.gz	IPHFYOMQZUKDAY-UHFFFAOYSA-N	-1	3	378.454	1.093	50	0		GDAAHM
Cc1ccc(Cc2nc3c(nnn3Cn3nnc(-c4ccccc4)n3)c(=O)[n-]2)cc1	ZINC000020443862	207192796	/nfs/dbraw/zinc/19/27/96/207192796.db2.gz	HZPPXLZBTVFAPE-UHFFFAOYSA-N	-1	3	399.418	1.985	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3nnnn3-c3ccccc3)CC2)on1	ZINC000026204935	207310753	/nfs/dbraw/zinc/31/07/53/207310753.db2.gz	GPBCGLDRQQSDLB-CQSZACIVSA-N	-1	3	382.428	1.108	50	0		GDAAHM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCS(=O)(=O)C1	ZINC000026984271	207321640	/nfs/dbraw/zinc/32/16/40/207321640.db2.gz	RXMSTPJGUMLTMM-LJQANCHMSA-N	-1	3	389.477	1.371	50	0		GDAAHM
CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccn(C)n3)cc(C3CC3)nc21	ZINC000032455516	207395111	/nfs/dbraw/zinc/39/51/11/207395111.db2.gz	UMEOORDZGONXTM-UHFFFAOYSA-N	-1	3	382.424	1.604	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)c(=O)[n-]1	ZINC000072422073	208021659	/nfs/dbraw/zinc/02/16/59/208021659.db2.gz	PHWCTXWBUNFNMC-UHFFFAOYSA-N	-1	3	383.477	1.888	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1	ZINC000072427339	208023180	/nfs/dbraw/zinc/02/31/80/208023180.db2.gz	BUPHKBVEWULDIY-FQEVSTJZSA-N	-1	3	381.436	1.210	50	0		GDAAHM
Cc1c([C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cnn1-c1ccc(F)cc1F	ZINC000091518991	208123972	/nfs/dbraw/zinc/12/39/72/208123972.db2.gz	FQOFEYVVFYRVAB-SECBINFHSA-N	-1	3	377.351	1.188	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C[C@H]2CCC(=O)[O-])CC1	ZINC000091664894	208131775	/nfs/dbraw/zinc/13/17/75/208131775.db2.gz	IDLZPFSJZZDISR-QAPCUYQASA-N	-1	3	399.495	1.506	50	0		GDAAHM
COc1ccc(CN2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1OC	ZINC000091757256	208136644	/nfs/dbraw/zinc/13/66/44/208136644.db2.gz	CODIFGMVPRXPJG-UHFFFAOYSA-N	-1	3	376.453	1.993	50	0		GDAAHM
CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[n-]c3c(F)cccc3c1=O)C2	ZINC000095361336	208161977	/nfs/dbraw/zinc/16/19/77/208161977.db2.gz	KIXQZCWPUUAEQF-QWHCGFSZSA-N	-1	3	386.427	1.885	50	0		GDAAHM
Cc1nc([C@H]2CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)cc(=O)[n-]1	ZINC000095379984	208171468	/nfs/dbraw/zinc/17/14/68/208171468.db2.gz	GZXZMNIMLLWVSZ-HNNXBMFYSA-N	-1	3	376.420	1.950	50	0		GDAAHM
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)ccc1[O-])CC2	ZINC000095497702	208198687	/nfs/dbraw/zinc/19/86/87/208198687.db2.gz	ONQFVQSMHVXEGO-UHFFFAOYSA-N	-1	3	398.463	1.586	50	0		GDAAHM
CCOc1ccc(CN2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)[O-])C2)cc1	ZINC000096132617	208266879	/nfs/dbraw/zinc/26/68/79/208266879.db2.gz	RCOZYMSHCAGKKB-YJBOKZPZSA-N	-1	3	382.482	1.253	50	0		GDAAHM
CCCCCC(=O)N1C[C@@H](NC(=O)c2ccc([O-])cc2)C[C@H]1C(=O)NCC	ZINC000096167050	208285003	/nfs/dbraw/zinc/28/50/03/208285003.db2.gz	CVQDLVJRJXTRJO-RDJZCZTQSA-N	-1	3	375.469	1.808	50	0		GDAAHM
COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc3c(c2)OCCO3)o1	ZINC000096114764	209010099	/nfs/dbraw/zinc/01/00/99/209010099.db2.gz	BFYIRAFTXAXKBP-ZDUSSCGKSA-N	-1	3	376.361	1.958	50	0	biogenic	GDAAHM
Cc1ccc(C(=O)Nc2ccccc2[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000016514088	221364425	/nfs/dbraw/zinc/36/44/25/221364425.db2.gz	WFBYOZSSGVSKEC-UHFFFAOYSA-N	-1	3	376.434	1.974	50	0		GDAAHM
CC(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C(=O)[O-]	ZINC000064589005	136157075	/nfs/dbraw/zinc/15/70/75/136157075.db2.gz	KPAGYRLAPFQFQT-UHFFFAOYSA-N	-1	3	388.468	1.653	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)CN1CCN(c2ccccn2)CC1	ZINC000071279394	136165471	/nfs/dbraw/zinc/16/54/71/136165471.db2.gz	GCPMARQVGCNMOF-HNNXBMFYSA-N	-1	3	384.436	1.639	50	0		GDAAHM
Cc1csc(S(=O)(=O)[N-]Cc2cc3n(n2)CCN(C(=O)C(C)C)C3)c1	ZINC000299775303	209086981	/nfs/dbraw/zinc/08/69/81/209086981.db2.gz	BEOWLMIEQPGOSF-UHFFFAOYSA-N	-1	3	382.511	1.730	50	0		GDAAHM
CN1CCN(Cc2ccc(Cl)cc2)C[C@]12CCC(=O)N(CC(=O)[O-])CC2	ZINC000107409277	570261364	/nfs/dbraw/zinc/26/13/64/570261364.db2.gz	KEAIXXQTBUGYFX-LJQANCHMSA-N	-1	3	379.888	1.923	50	0		GDAAHM
COc1ccc([C@@H](CNC(=O)c2ccc3n[n-]nc3c2)N2CCOCC2)cc1	ZINC000022686443	570373834	/nfs/dbraw/zinc/37/38/34/570373834.db2.gz	SWQBUUIVDNVISK-LJQANCHMSA-N	-1	3	381.436	1.770	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000005018143	570397371	/nfs/dbraw/zinc/39/73/71/570397371.db2.gz	KNPJSOUUICKPHC-CQSZACIVSA-N	-1	3	396.465	1.662	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000005018143	570397375	/nfs/dbraw/zinc/39/73/75/570397375.db2.gz	KNPJSOUUICKPHC-CQSZACIVSA-N	-1	3	396.465	1.662	50	0		GDAAHM
CC(C)Cc1cc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)[n-]c(=O)n1	ZINC000223064920	570441223	/nfs/dbraw/zinc/44/12/23/570441223.db2.gz	LYSLXOYAENODPH-UHFFFAOYSA-N	-1	3	375.473	1.378	50	0		GDAAHM
O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)OCO2	ZINC000011906552	570446466	/nfs/dbraw/zinc/44/64/66/570446466.db2.gz	VMTXWBULKSHNQX-UHFFFAOYSA-N	-1	3	396.446	1.756	50	0		GDAAHM
CCOC(=O)c1sc2[n-]c(CN3CCC(C(=O)OC)CC3)nc(=O)c2c1C	ZINC000058167655	570714446	/nfs/dbraw/zinc/71/44/46/570714446.db2.gz	NMDLCYAHBUIWMC-UHFFFAOYSA-N	-1	3	393.465	1.855	50	0		GDAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC[C@H]1CCCO1	ZINC000019079747	570731194	/nfs/dbraw/zinc/73/11/94/570731194.db2.gz	OKDGHOMYNKMWLF-BXUZGUMPSA-N	-1	3	398.510	1.289	50	0		GDAAHM
CCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000012983041	570736802	/nfs/dbraw/zinc/73/68/02/570736802.db2.gz	FOVFEMKGADYXOK-UHFFFAOYSA-N	-1	3	391.497	1.965	50	0		GDAAHM
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCC4(CC3)OCCO4)cc2O1	ZINC000013569668	570759377	/nfs/dbraw/zinc/75/93/77/570759377.db2.gz	NPICZHFDQRKLCO-UHFFFAOYSA-N	-1	3	391.420	1.880	50	0		GDAAHM
O=c1cc(C(F)(F)F)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]1	ZINC000013611338	570762403	/nfs/dbraw/zinc/76/24/03/570762403.db2.gz	DRTVNBRQCFFSLI-UHFFFAOYSA-N	-1	3	382.342	1.840	50	0		GDAAHM
CN1CCC2(CCN(S(=O)(=O)c3sc4c(c3C(=O)[O-])CCNC4)C2)CC1	ZINC000067770087	570790155	/nfs/dbraw/zinc/79/01/55/570790155.db2.gz	FZDQCHYLXFGAFZ-UHFFFAOYSA-N	-1	3	399.538	1.198	50	0		GDAAHM
COc1ccccc1CCNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067948073	570798620	/nfs/dbraw/zinc/79/86/20/570798620.db2.gz	VDQTWQKZHANHNA-UHFFFAOYSA-N	-1	3	396.490	1.622	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)NCc1cccnc1Oc1ccc(F)cc1F	ZINC000067982403	570800121	/nfs/dbraw/zinc/80/01/21/570800121.db2.gz	AMBRZEBWJVMCBR-UHFFFAOYSA-N	-1	3	376.319	1.320	50	0		GDAAHM
C[C@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccc(-n2ccnc2)cc1	ZINC000007276921	570823967	/nfs/dbraw/zinc/82/39/67/570823967.db2.gz	BNJWIOKULJCSEP-AWEZNQCLSA-N	-1	3	389.415	1.753	50	0		GDAAHM
Cn1ccnc1[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1	ZINC000012525064	570829772	/nfs/dbraw/zinc/82/97/72/570829772.db2.gz	XWXVKOFCVPDZPC-SFHVURJKSA-N	-1	3	389.415	1.329	50	0		GDAAHM
Cc1ncc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc43)C2)c(=O)[n-]1	ZINC000072157260	570874423	/nfs/dbraw/zinc/87/44/23/570874423.db2.gz	XCTHKIZBKBJCSJ-MRXNPFEDSA-N	-1	3	376.416	1.762	50	0		GDAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000072161981	570875745	/nfs/dbraw/zinc/87/57/45/570875745.db2.gz	ZCBJUCJPXBOPPW-FQEVSTJZSA-N	-1	3	386.427	1.743	50	0		GDAAHM
COC(=O)[C@]1(O)C(=C([O-])c2cccs2)[C@H](c2ccccc2)NC(=S)N1C	ZINC000103914779	570890314	/nfs/dbraw/zinc/89/03/14/570890314.db2.gz	SNTNGCNCGHRNQM-QWQRMKEZSA-N	-1	3	390.486	1.970	50	0		GDAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000104729127	570902636	/nfs/dbraw/zinc/90/26/36/570902636.db2.gz	CARCXFQVBQZZNB-HEHGZKQESA-N	-1	3	387.436	1.316	50	0		GDAAHM
Cc1nccn1-c1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccn1	ZINC000047287237	570951059	/nfs/dbraw/zinc/95/10/59/570951059.db2.gz	DJWZABNSQGWYGF-UHFFFAOYSA-N	-1	3	385.449	1.877	50	0		GDAAHM
O=C(NCCc1ccccc1)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F	ZINC000004742387	570956773	/nfs/dbraw/zinc/95/67/73/570956773.db2.gz	SIKOBAAKONVROK-CXAGYDPISA-N	-1	3	383.370	1.985	50	0		GDAAHM
C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)C[N-]S(=O)(=O)/C=C/c2ccccc2)C1	ZINC000004950934	230838564	/nfs/dbraw/zinc/83/85/64/230838564.db2.gz	BTKBRAQIZBGLDG-GUFYHEMZSA-N	-1	3	394.493	1.624	50	0		GDAAHM
Cc1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426658311	231249410	/nfs/dbraw/zinc/24/94/10/231249410.db2.gz	IQMJNXCOGUEKOL-JTQLQIEISA-N	-1	3	378.392	1.710	50	0		GDAAHM
Cc1ccc(NC(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1Cl	ZINC000015881252	210177637	/nfs/dbraw/zinc/17/76/37/210177637.db2.gz	ZSWYGCNLNCAUFM-UHFFFAOYSA-N	-1	3	393.856	1.805	50	0		GDAAHM
CC(C)(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCOCC1	ZINC000023673104	530576058	/nfs/dbraw/zinc/57/60/58/530576058.db2.gz	AAADXAITZKFPSG-UHFFFAOYSA-N	-1	3	383.333	1.900	50	0		GDAAHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)s1	ZINC000032550087	530607876	/nfs/dbraw/zinc/60/78/76/530607876.db2.gz	MCUNLQFFAKLREX-GFCCVEGCSA-N	-1	3	382.463	1.503	50	0		GDAAHM
Cc1nnsc1C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000032647851	530608350	/nfs/dbraw/zinc/60/83/50/530608350.db2.gz	QCCOKDWWLGEUPN-UHFFFAOYSA-N	-1	3	395.293	1.862	50	0		GDAAHM
Cc1ccc([C@H]2[C@H](S(=O)(=O)[N-]CCCN3CCCC3=O)CON2C)s1	ZINC000034739353	530612183	/nfs/dbraw/zinc/61/21/83/530612183.db2.gz	JPPGCAKNCFHVEA-ZBFHGGJFSA-N	-1	3	387.527	1.275	50	0		GDAAHM
COc1ccc(NC(=O)Cc2sc(N3CCN(C)CC3)nc2[O-])cc1Cl	ZINC000014114040	210103998	/nfs/dbraw/zinc/10/39/98/210103998.db2.gz	CXMKIURMQLGTRK-AWEZNQCLSA-N	-1	3	396.900	1.923	50	0		GDAAHM
COc1cc(Cl)c(S(=O)(=O)[N-]CCN2CCN(C)CC2)cc1Cl	ZINC000188203187	530888952	/nfs/dbraw/zinc/88/89/52/530888952.db2.gz	BNEZXGHCMJXGHI-UHFFFAOYSA-N	-1	3	382.313	1.528	50	0		GDAAHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)cs1	ZINC000226687885	531032340	/nfs/dbraw/zinc/03/23/40/531032340.db2.gz	FAQZKQITFWSYDB-UHFFFAOYSA-N	-1	3	375.859	1.448	50	0		GDAAHM
Cc1nc(C)c(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(=O)[n-]1	ZINC000012973299	210037642	/nfs/dbraw/zinc/03/76/42/210037642.db2.gz	CEDMSBUZAMXNLX-UHFFFAOYSA-N	-1	3	378.454	1.208	50	0		GDAAHM
CCOC(=O)c1c([N-]C(=O)C(=O)NCCCO)sc2c1CC(C)(C)OC2	ZINC000006661176	209665739	/nfs/dbraw/zinc/66/57/39/209665739.db2.gz	XOSIFOYHRRHEKU-UHFFFAOYSA-N	-1	3	384.454	1.213	50	0		GDAAHM
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NC1CCN(C(C)C)CC1	ZINC000096298697	209239434	/nfs/dbraw/zinc/23/94/34/209239434.db2.gz	YNMVTNHJZDVFTL-ALCCZGGFSA-N	-1	3	382.482	1.944	50	0		GDAAHM
COC(=O)[C@@]([N-]S(=O)(=O)c1ccccc1)(C(C(C)=O)C(C)=O)C(F)(F)F	ZINC000100123967	211382647	/nfs/dbraw/zinc/38/26/47/211382647.db2.gz	LPWOAHDAPGPQMG-AWEZNQCLSA-N	-1	3	395.355	1.233	50	0		GDAAHM
Cc1cc2cccnc2c(S(=O)(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)c1	ZINC000097675347	211371310	/nfs/dbraw/zinc/37/13/10/211371310.db2.gz	GZPJFFSOUSDLPN-KSSFIOAISA-N	-1	3	375.450	1.180	50	0		GDAAHM
O=C(Nc1ccc2c(c1)CC(=O)N2)N1CCc2c(=O)[n-]c(CC3CC3)nc2C1	ZINC000096137518	211306610	/nfs/dbraw/zinc/30/66/10/211306610.db2.gz	LOYYSRAYDTXLAJ-UHFFFAOYSA-N	-1	3	379.420	1.807	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)Cc3ccsc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095356047	211221297	/nfs/dbraw/zinc/22/12/97/211221297.db2.gz	GYODHDUKTYDXED-SJORKVTESA-N	-1	3	379.526	1.620	50	0		GDAAHM
C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)C1	ZINC000091474588	211195002	/nfs/dbraw/zinc/19/50/02/211195002.db2.gz	KYVVCASKAKXPFE-HXUWFJFHSA-N	-1	3	385.420	1.206	50	0		GDAAHM
CCOC(=O)C1(C(=O)O[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCC1	ZINC000089978132	211188136	/nfs/dbraw/zinc/18/81/36/211188136.db2.gz	ZMGLWTJGIIBSNZ-GFCCVEGCSA-N	-1	3	397.449	1.906	50	0		GDAAHM
Cn1ncc2c1nc(CN1C[C@@H]3C[C@H]1C(=O)N3c1cccc(Cl)c1)[n-]c2=O	ZINC000077441009	211134974	/nfs/dbraw/zinc/13/49/74/211134974.db2.gz	HPCZSZXCWBCINH-JSGCOSHPSA-N	-1	3	384.827	1.300	50	0		GDAAHM
COCCCN1C(=O)CC[C@H]2CN(Cc3c(CO)cnc(C)c3[O-])CC[C@H]21	ZINC000072429271	211117792	/nfs/dbraw/zinc/11/77/92/211117792.db2.gz	HTEQEHIUYPWVCK-MAUKXSAKSA-N	-1	3	377.485	1.437	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1	ZINC000072411265	211114140	/nfs/dbraw/zinc/11/41/40/211114140.db2.gz	LGKBQCPIDWNUHR-FUHWJXTLSA-N	-1	3	380.448	1.466	50	0		GDAAHM
CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc(Br)c1	ZINC000072311359	211088998	/nfs/dbraw/zinc/08/89/98/211088998.db2.gz	KIJWVFRLQWKUDQ-UHFFFAOYSA-N	-1	3	379.276	1.732	50	0		GDAAHM
CC[C@@H]1CN(C(=O)Cc2cnc(C)[n-]c2=O)CCC(=O)N1Cc1ccccc1	ZINC000071751250	211056897	/nfs/dbraw/zinc/05/68/97/211056897.db2.gz	NAAJRCUCQVWSNI-GOSISDBHSA-N	-1	3	382.464	1.661	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)NCc1ccccc1)CN1CCN(Cc2cccnc2)CC1	ZINC000071280546	211041830	/nfs/dbraw/zinc/04/18/30/211041830.db2.gz	UZBQNUAFNQEAPS-FQEVSTJZSA-N	-1	3	396.491	1.607	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1	ZINC000067740880	211019775	/nfs/dbraw/zinc/01/97/75/211019775.db2.gz	ZBWZPAGBSGFSQI-UHFFFAOYSA-N	-1	3	381.436	1.258	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)NCc1ccc(-n2cccn2)cc1	ZINC000057366841	210896739	/nfs/dbraw/zinc/89/67/39/210896739.db2.gz	XYIWADAIMJDWKQ-UHFFFAOYSA-N	-1	3	376.463	1.529	50	0		GDAAHM
O=C1O[C@@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCO2	ZINC000008838873	221059638	/nfs/dbraw/zinc/05/96/38/221059638.db2.gz	ZBKCFDBVPODGMN-NSHDSACASA-N	-1	3	382.419	1.781	50	0		GDAAHM
Cc1nnc2c(N3CC[C@@H]([N-]S(=O)(=O)c4ccc(F)c(F)c4)C3)nccn12	ZINC000575414446	570303293	/nfs/dbraw/zinc/30/32/93/570303293.db2.gz	HKUBYWBRBNAYBG-LLVKDONJSA-N	-1	3	394.407	1.268	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCc1nc2ccccc2[nH]1	ZINC000022369408	570314667	/nfs/dbraw/zinc/31/46/67/570314667.db2.gz	NPELMKXSAQVDKO-NSHDSACASA-N	-1	3	391.453	1.193	50	0		GDAAHM
CN1CCC2(CC1)C[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1O2	ZINC000023654093	570368591	/nfs/dbraw/zinc/36/85/91/570368591.db2.gz	BPUQEYIBZOZMGQ-HNNXBMFYSA-N	-1	3	384.436	1.053	50	0		GDAAHM
CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000248092940	570439492	/nfs/dbraw/zinc/43/94/92/570439492.db2.gz	WHAXKINQLQZULX-VQHPVUNQSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000248099534	570440098	/nfs/dbraw/zinc/44/00/98/570440098.db2.gz	ZVQIFFJMQKOYTJ-HHARLNAUSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
NC(=O)C1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1	ZINC000044900496	570640028	/nfs/dbraw/zinc/64/00/28/570640028.db2.gz	MHHUDSPBZDQFDQ-UHFFFAOYSA-N	-1	3	383.326	1.764	50	0		GDAAHM
Cn1nnnc1-c1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1	ZINC000058296763	570724998	/nfs/dbraw/zinc/72/49/98/570724998.db2.gz	SSDWLIHBPOPASW-UHFFFAOYSA-N	-1	3	395.423	1.524	50	0		GDAAHM
CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)cc2C1	ZINC000065196107	570728213	/nfs/dbraw/zinc/72/82/13/570728213.db2.gz	OQCITMLKQFAOQC-UHFFFAOYSA-N	-1	3	394.474	1.860	50	0		GDAAHM
COC(=O)[C@]1(O)C(=C([O-])c2cccs2)[C@H](c2ccccc2)NC(=S)N1C	ZINC000229977382	570732577	/nfs/dbraw/zinc/73/25/77/570732577.db2.gz	SNTNGCNCGHRNQM-SUNYJGFJSA-N	-1	3	390.486	1.970	50	0		GDAAHM
Nc1nc([C@H]2C[C@@H](NC(=O)c3cnc(Nc4ccccc4)nc3)C2)cc(=O)[n-]1	ZINC000253535260	570733749	/nfs/dbraw/zinc/73/37/49/570733749.db2.gz	JJCWSVFDJDSXDD-VDISTLRHSA-N	-1	3	377.408	1.974	50	0		GDAAHM
Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1nnc([C@H]2CCCO2)s1	ZINC000072402062	570738878	/nfs/dbraw/zinc/73/88/78/570738878.db2.gz	LAXQQYPHWASBRW-CYBMUJFWSA-N	-1	3	387.421	1.752	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1ccn2nc(-c3ccco3)cc12	ZINC000206751043	570742669	/nfs/dbraw/zinc/74/26/69/570742669.db2.gz	UAPZNWNQNYAWPI-UHFFFAOYSA-N	-1	3	375.410	1.979	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1	ZINC000206792025	570752711	/nfs/dbraw/zinc/75/27/11/570752711.db2.gz	VUDZVXNUEAAUCV-NSHDSACASA-N	-1	3	375.376	1.391	50	0		GDAAHM
C[C@H]1Oc2ccc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)cc2NC1=O	ZINC000007118907	570792503	/nfs/dbraw/zinc/79/25/03/570792503.db2.gz	FRJUOSHNBFOPRU-LLVKDONJSA-N	-1	3	394.387	1.438	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCOc1ccccc1	ZINC000032747401	570793596	/nfs/dbraw/zinc/79/35/96/570793596.db2.gz	HGVDNQFWZFZXTJ-UHFFFAOYSA-N	-1	3	377.422	1.152	50	0		GDAAHM
Cc1nc(S(=O)(=O)[N-]CCn2nc(-c3cnccn3)cc2C2CC2)cn1C	ZINC000238935955	570814646	/nfs/dbraw/zinc/81/46/46/570814646.db2.gz	VMVIQUTUCYJKOG-UHFFFAOYSA-N	-1	3	387.469	1.238	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCC(C)(C)N1CCOCC1	ZINC000032794842	570814881	/nfs/dbraw/zinc/81/48/81/570814881.db2.gz	CRQDAIRVQXKFMZ-UHFFFAOYSA-N	-1	3	379.486	1.237	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000031618272	570818387	/nfs/dbraw/zinc/81/83/87/570818387.db2.gz	CKAWCNUWRCIWHM-UHFFFAOYSA-N	-1	3	393.421	1.613	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)c1c[nH]c2ccccc12	ZINC000003296997	570853297	/nfs/dbraw/zinc/85/32/97/570853297.db2.gz	KTXYUHYUSONPPF-UHFFFAOYSA-N	-1	3	377.356	1.597	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCc1cc2c(c(Cl)c1)OCO2	ZINC000011322607	570968038	/nfs/dbraw/zinc/96/80/38/570968038.db2.gz	LQDFBQPZEBTYAZ-UHFFFAOYSA-N	-1	3	388.763	1.815	50	0		GDAAHM
O=C(CCn1cccn1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000014969519	210135899	/nfs/dbraw/zinc/13/58/99/210135899.db2.gz	SOEQILVWFWLLOR-CQSZACIVSA-N	-1	3	382.511	1.552	50	0		GDAAHM
COC(=O)c1cc(-c2ccc(Br)cc2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000006809492	530542726	/nfs/dbraw/zinc/54/27/26/530542726.db2.gz	XSXALDDFSNUSCW-UHFFFAOYSA-N	-1	3	390.193	1.838	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCc1cscn1	ZINC000033138941	530611771	/nfs/dbraw/zinc/61/17/71/530611771.db2.gz	HLBYJCIYLWVQRS-QMMMGPOBSA-N	-1	3	383.480	1.131	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2F)cc1Cl	ZINC000040146697	530619107	/nfs/dbraw/zinc/61/91/07/530619107.db2.gz	KJEBFNDYNWODDQ-UHFFFAOYSA-N	-1	3	394.833	1.936	50	0		GDAAHM
O=C(Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2)s1)N1CCOCC1	ZINC000064919896	530753196	/nfs/dbraw/zinc/75/31/96/530753196.db2.gz	DBWUCLBKPAZPTG-UHFFFAOYSA-N	-1	3	380.491	1.628	50	0		GDAAHM
CCc1cc(=O)n(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cn1	ZINC000077100929	530806584	/nfs/dbraw/zinc/80/65/84/530806584.db2.gz	JXFCDHUBFSFVDC-UHFFFAOYSA-N	-1	3	375.372	1.803	50	0		GDAAHM
CCc1cc(C[N-]S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)on1	ZINC000096005484	530817645	/nfs/dbraw/zinc/81/76/45/530817645.db2.gz	OIKBMPAXXXCIDA-UHFFFAOYSA-N	-1	3	383.857	1.834	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1cc2ccccc2[nH]1	ZINC000013730380	210087078	/nfs/dbraw/zinc/08/70/78/210087078.db2.gz	GHHULOBDNFXDSX-UHFFFAOYSA-N	-1	3	385.405	1.412	50	0		GDAAHM
COc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1	ZINC000012920601	210030312	/nfs/dbraw/zinc/03/03/12/210030312.db2.gz	PTOFGUJKVGNTRQ-UHFFFAOYSA-N	-1	3	395.437	1.152	50	0		GDAAHM
Cc1cc(NC(=O)[C@H](OC(=O)CC[C@H]2NC(=O)[N-]C2=O)c2ccccc2)no1	ZINC000012792282	210010203	/nfs/dbraw/zinc/01/02/03/210010203.db2.gz	WGFRPQQSWQQKGA-IUODEOHRSA-N	-1	3	386.364	1.194	50	0		GDAAHM
CN(C)CCN(CC(=O)[O-])C(=O)c1cc(Br)c2c(c1)OCCO2	ZINC000299753044	532025596	/nfs/dbraw/zinc/02/55/96/532025596.db2.gz	WQNZLZAUVBVUJU-UHFFFAOYSA-N	-1	3	387.230	1.309	50	0		GDAAHM
Cc1cc(=NC(=O)c2ccc3nc(C)c(C)nc3c2)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159297	212042091	/nfs/dbraw/zinc/04/20/91/212042091.db2.gz	VSRZQIRCXKYOBT-HNNXBMFYSA-N	-1	3	399.476	1.785	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@]2(C(=O)[O-])C1	ZINC000096150234	211311998	/nfs/dbraw/zinc/31/19/98/211311998.db2.gz	MXYQYDQNEVTAGB-YJBOKZPZSA-N	-1	3	377.466	1.336	50	0		GDAAHM
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc([O-])c1)CC2	ZINC000095521925	211266487	/nfs/dbraw/zinc/26/64/87/211266487.db2.gz	CIPVOTGAXONDOY-UHFFFAOYSA-N	-1	3	384.436	1.278	50	0		GDAAHM
COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnc[n-]c3=O)C2)c1	ZINC000095503426	211254514	/nfs/dbraw/zinc/25/45/14/211254514.db2.gz	PGNGLXBVMRNAHQ-HNNXBMFYSA-N	-1	3	398.463	1.727	50	0		GDAAHM
CN1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1-c1nnn[n-]1)CC2	ZINC000091365261	211189168	/nfs/dbraw/zinc/18/91/68/211189168.db2.gz	PDDLYSLDRHMMCD-UHFFFAOYSA-N	-1	3	378.440	1.209	50	0		GDAAHM
CN1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1-c1nn[n-]n1)CC2	ZINC000091365261	211189172	/nfs/dbraw/zinc/18/91/72/211189172.db2.gz	PDDLYSLDRHMMCD-UHFFFAOYSA-N	-1	3	378.440	1.209	50	0		GDAAHM
CCOC(=O)C1(C(=O)O[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCC1	ZINC000089978130	211187973	/nfs/dbraw/zinc/18/79/73/211187973.db2.gz	ZMGLWTJGIIBSNZ-LBPRGKRZSA-N	-1	3	397.449	1.906	50	0		GDAAHM
COCc1cc(CN(C)C(=O)c2cnc(COc3ccccc3)[n-]c2=O)n[nH]1	ZINC000091409888	211192615	/nfs/dbraw/zinc/19/26/15/211192615.db2.gz	SSMRYTSSHQQCEB-UHFFFAOYSA-N	-1	3	383.408	1.491	50	0		GDAAHM
CCc1nc(C)c(CC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c(=O)[n-]1	ZINC000072463812	211122461	/nfs/dbraw/zinc/12/24/61/211122461.db2.gz	SGWBGIPFRUOHCW-OAHLLOKOSA-N	-1	3	376.501	1.143	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1	ZINC000072426335	211117314	/nfs/dbraw/zinc/11/73/14/211117314.db2.gz	QEYSVDBWDBIGTQ-XJKSGUPXSA-N	-1	3	386.477	1.527	50	0		GDAAHM
Cc1nc(CCNC(=O)c2cc(Cn3ccc4ccccc43)n[nH]2)cc(=O)[n-]1	ZINC000067757272	211021092	/nfs/dbraw/zinc/02/10/92/211021092.db2.gz	IVLXOSPAYVXVQS-UHFFFAOYSA-N	-1	3	376.420	1.777	50	0		GDAAHM
CCCO[C@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)C1	ZINC000067754878	211019486	/nfs/dbraw/zinc/01/94/86/211019486.db2.gz	IYQHQQTWLCFALY-NSHDSACASA-N	-1	3	388.511	1.672	50	0		GDAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1	ZINC000067713011	211017627	/nfs/dbraw/zinc/01/76/27/211017627.db2.gz	KFIPXPKIVRGMSY-OAHLLOKOSA-N	-1	3	385.399	1.520	50	0		GDAAHM
Cc1cccc([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)n1	ZINC000067690379	211016581	/nfs/dbraw/zinc/01/65/81/211016581.db2.gz	QFSMAYUDAOQIOT-SNVBAGLBSA-N	-1	3	381.479	1.835	50	0		GDAAHM
C[C@@H](c1cccnc1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067540210	211011169	/nfs/dbraw/zinc/01/11/69/211011169.db2.gz	BLAZSXBXELIUPV-JTQLQIEISA-N	-1	3	381.479	1.869	50	0		GDAAHM
Cc1ncn(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(=O)c1C	ZINC000077100937	210748860	/nfs/dbraw/zinc/74/88/60/210748860.db2.gz	URCBRTJPEBSODU-UHFFFAOYSA-N	-1	3	375.372	1.857	50	0		GDAAHM
O=C(CS(=O)(=O)C=C([O-])c1ccc2c(c1)NC(=O)CO2)Nc1ccccc1	ZINC000019620772	210276130	/nfs/dbraw/zinc/27/61/30/210276130.db2.gz	SZFXYQYDZHTNJT-UHFFFAOYSA-N	-1	3	388.401	1.903	50	0		GDAAHM
Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[n-]c(NCc2ccccc2)n1	ZINC000039383614	132390920	/nfs/dbraw/zinc/39/09/20/132390920.db2.gz	YXMIEYVLTGVGEZ-UHFFFAOYSA-N	-1	3	378.436	1.984	50	0		GDAAHM
Cc1ccc(-c2cc([N-]C(=O)CN3CCN(CC(=O)N(C)C)CC3)on2)cc1	ZINC000022788412	570327829	/nfs/dbraw/zinc/32/78/29/570327829.db2.gz	CCSVABWRDLFLMK-UHFFFAOYSA-N	-1	3	385.468	1.294	50	0		GDAAHM
O=C(Nc1nc[nH]n1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000023140893	570346282	/nfs/dbraw/zinc/34/62/82/570346282.db2.gz	PYDUCBHFVYUBSV-CQSZACIVSA-N	-1	3	389.412	1.472	50	0		GDAAHM
CN1CCc2c(CNC(=O)c3ccc(Cl)nc3)c3c(c([O-])c2C1=O)OCO3	ZINC000604406371	570357983	/nfs/dbraw/zinc/35/79/83/570357983.db2.gz	SPQKAWZTBNJNNF-UHFFFAOYSA-N	-1	3	389.795	1.727	50	0	biogenic	GDAAHM
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1	ZINC000023845242	570373305	/nfs/dbraw/zinc/37/33/05/570373305.db2.gz	SKVDJBYTPXRIRT-UHFFFAOYSA-N	-1	3	381.436	1.933	50	0		GDAAHM
Cc1cc(C(=O)NCc2coc(-c3ccccc3)n2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000221233385	570392256	/nfs/dbraw/zinc/39/22/56/570392256.db2.gz	RJRYIBFERCIIBZ-UHFFFAOYSA-N	-1	3	391.387	1.515	50	0		GDAAHM
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)[N-]C2=NCCS2)C1=O	ZINC000005173997	570492799	/nfs/dbraw/zinc/49/27/99/570492799.db2.gz	QJBMSZQWEBGKNH-LJQANCHMSA-N	-1	3	382.445	1.826	50	0		GDAAHM
NC(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C1	ZINC000072301826	570505438	/nfs/dbraw/zinc/50/54/38/570505438.db2.gz	NLVFMARSMQRXBY-SNVBAGLBSA-N	-1	3	382.392	1.472	50	0		GDAAHM
CCOc1ccc([N-]S(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)cc1	ZINC000006887346	570681747	/nfs/dbraw/zinc/68/17/47/570681747.db2.gz	JJBFWFAIHFFAES-UHFFFAOYSA-N	-1	3	375.406	1.724	50	0		GDAAHM
O=C(CCCn1cnc2ccccc2c1=O)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1	ZINC000253535001	570733497	/nfs/dbraw/zinc/73/34/97/570733497.db2.gz	CABUBBSSOVICER-HDJSIYSDSA-N	-1	3	379.420	1.735	50	0		GDAAHM
Cc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)N2CCOCC2)c1	ZINC000065500653	570826733	/nfs/dbraw/zinc/82/67/33/570826733.db2.gz	YHYUKQULCATJHS-HXUWFJFHSA-N	-1	3	397.475	1.620	50	0		GDAAHM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1	ZINC000007709097	571019381	/nfs/dbraw/zinc/01/93/81/571019381.db2.gz	AOUSTTRWMDHBRX-UHFFFAOYSA-N	-1	3	384.421	1.590	50	0		GDAAHM
O=C(CCN1CCCO1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000011946065	530555339	/nfs/dbraw/zinc/55/53/39/530555339.db2.gz	ARMIWQJHIQEOBI-AWEZNQCLSA-N	-1	3	387.527	1.292	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccc2nonc21)c1ccccc1Cl	ZINC000012408407	530555792	/nfs/dbraw/zinc/55/57/92/530555792.db2.gz	WXWZBFTUGMPPTC-UHFFFAOYSA-N	-1	3	380.813	1.585	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1ccc(Br)s1)c1ccco1	ZINC000024442988	530577425	/nfs/dbraw/zinc/57/74/25/530577425.db2.gz	JHMMPBPDCGNGSS-UHFFFAOYSA-N	-1	3	379.257	1.812	50	0		GDAAHM
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2n[nH]cc2I)N1	ZINC000032488235	530607760	/nfs/dbraw/zinc/60/77/60/530607760.db2.gz	QYOZXTYGZPLIST-MRVPVSSYSA-N	-1	3	388.087	1.487	50	0		GDAAHM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1	ZINC000032803714	530609569	/nfs/dbraw/zinc/60/95/69/530609569.db2.gz	JLZZDLZVYXVBHJ-UHFFFAOYSA-N	-1	3	388.854	1.643	50	0		GDAAHM
Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]CCCN3CCOCC3)s2)c1C	ZINC000040282932	530618899	/nfs/dbraw/zinc/61/88/99/530618899.db2.gz	IVVBKWAPTPZLGL-UHFFFAOYSA-N	-1	3	384.527	1.756	50	0		GDAAHM
CC[C@H](CO)N(Cc1cccs1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000055253298	530706838	/nfs/dbraw/zinc/70/68/38/530706838.db2.gz	DBCHDTTVFWYQHZ-GFCCVEGCSA-N	-1	3	388.536	1.888	50	0		GDAAHM
COc1ccc(Br)cc1CN(C)C(=O)CC[C@@H]1NC(=O)[N-]C1=O	ZINC000014113392	210103235	/nfs/dbraw/zinc/10/32/35/210103235.db2.gz	OHKQXCSDDABMLM-NSHDSACASA-N	-1	3	384.230	1.404	50	0		GDAAHM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cccc(NC(C)=O)c3)C2=O)c1	ZINC000014108474	210103044	/nfs/dbraw/zinc/10/30/44/210103044.db2.gz	OSOKLKWDTOITRG-HXUWFJFHSA-N	-1	3	396.403	1.766	50	0		GDAAHM
CCc1nc(C[N-]S(=O)(=O)c2ccc(OCC(=O)NC)c(F)c2)cs1	ZINC000226686547	531032287	/nfs/dbraw/zinc/03/22/87/531032287.db2.gz	TYPSQVDVJMLTNQ-UHFFFAOYSA-N	-1	3	387.458	1.448	50	0		GDAAHM
C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC(N)=O	ZINC000012787316	210008464	/nfs/dbraw/zinc/00/84/64/210008464.db2.gz	YPLVXKANSLFWQO-ZETCQYMHSA-N	-1	3	392.828	1.850	50	0		GDAAHM
Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ncccc2[O-])cc1	ZINC000012752467	210002137	/nfs/dbraw/zinc/00/21/37/210002137.db2.gz	VRMLULVSJLYEGQ-UHFFFAOYSA-N	-1	3	385.409	1.294	50	0		GDAAHM
CCOC(=O)C1=C(C)OC(=O)[C@]1([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002484652	209366649	/nfs/dbraw/zinc/36/66/49/209366649.db2.gz	ACVVLRWBGFCGIF-AWEZNQCLSA-N	-1	3	393.339	1.660	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(F)ccc1N(CC(C)C)C2=O	ZINC000002265248	209353513	/nfs/dbraw/zinc/35/35/13/209353513.db2.gz	NXVFXIPSGKFGOB-QGZVFWFLSA-N	-1	3	378.429	1.984	50	0		GDAAHM
Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4c[nH]c(=O)[n-]c4=O)cc3C2=O)c1	ZINC000001022689	209288858	/nfs/dbraw/zinc/28/88/58/209288858.db2.gz	XXNRJRXZZQXQHS-UHFFFAOYSA-N	-1	3	390.355	1.425	50	0		GDAAHM
CCOc1ccc(S(=O)(=O)N2CCC(n3c([O-])coc3=O)CC2)cc1F	ZINC000244970262	209215365	/nfs/dbraw/zinc/21/53/65/209215365.db2.gz	HQEFQSWSIQKONV-UHFFFAOYSA-N	-1	3	386.401	1.356	50	0		GDAAHM
COc1cccc([C@@H]2N[C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1OC	ZINC000226985466	209187159	/nfs/dbraw/zinc/18/71/59/209187159.db2.gz	QCWJMPPMCUCZPH-NCOADZHNSA-N	-1	3	396.399	1.607	50	0		GDAAHM
COc1ccc(C2=NN(c3nc(N)cc4ncnn43)[C@]([O-])(C(F)(F)F)C2)cc1	ZINC000004478240	212065158	/nfs/dbraw/zinc/06/51/58/212065158.db2.gz	JWGXSILDMSHPGB-OAHLLOKOSA-N	-1	3	393.329	1.580	50	0		GDAAHM
COc1ccc(C2=NN(c3nc(N)cc4ncnn43)[C@@]([O-])(C(F)(F)F)C2)cc1	ZINC000004478241	212064626	/nfs/dbraw/zinc/06/46/26/212064626.db2.gz	JWGXSILDMSHPGB-HNNXBMFYSA-N	-1	3	393.329	1.580	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)n2nc(NCc3cccc(OC)c3OC)[n-]c2n1	ZINC000101483860	211399992	/nfs/dbraw/zinc/39/99/92/211399992.db2.gz	QPMXZRRDVPWRDF-UHFFFAOYSA-N	-1	3	387.396	1.153	50	0		GDAAHM
Cn1c2[nH]c(=S)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)[n-]c1=O	ZINC000100630099	211389534	/nfs/dbraw/zinc/38/95/34/211389534.db2.gz	BFFSRRAKFFTYRB-ZDUSSCGKSA-N	-1	3	398.444	1.305	50	0		GDAAHM
Cc1ccc(/C=C\S(=O)(=O)[N-]CC(=O)OCC(=O)NC2CCCC2)cc1	ZINC000096448529	211341412	/nfs/dbraw/zinc/34/14/12/211341412.db2.gz	WZZXMRHQHYBNLM-KHPPLWFESA-N	-1	3	380.466	1.487	50	0		GDAAHM
CN1C[C@H]2CN(S(=O)(=O)c3cc(-c4ccno4)cs3)C[C@@]2(C(=O)[O-])C1	ZINC000096165032	211315678	/nfs/dbraw/zinc/31/56/78/211315678.db2.gz	LPDQJOSVYKBGKG-NHYWBVRUSA-N	-1	3	383.451	1.040	50	0		GDAAHM
CN1C[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@]2(C(=O)[O-])C1	ZINC000096153302	211312180	/nfs/dbraw/zinc/31/21/80/211312180.db2.gz	PONKGVVOQKRGDU-FZMZJTMJSA-N	-1	3	378.372	1.342	50	0		GDAAHM
Cc1cc(=O)c([O-])c([C@H](CC(=O)N2CCOCC2)c2cnn3cccnc23)o1	ZINC000096117210	211302976	/nfs/dbraw/zinc/30/29/76/211302976.db2.gz	AFJBNIZJDWXIGY-CYBMUJFWSA-N	-1	3	384.392	1.077	50	0		GDAAHM
CCn1ccnc1C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000095521682	211266349	/nfs/dbraw/zinc/26/63/49/211266349.db2.gz	XQIUWVMPVKZVCP-UHFFFAOYSA-N	-1	3	382.511	1.649	50	0		GDAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCOc2ccccc2C1	ZINC000095511235	211262528	/nfs/dbraw/zinc/26/25/28/211262528.db2.gz	YLRQQEAYNQCSSW-HNNXBMFYSA-N	-1	3	379.416	1.860	50	0		GDAAHM
O=C(CCC1CCN(C(=O)c2cnc[n-]c2=O)CC1)NCc1ccc(F)cc1	ZINC000095497678	211250095	/nfs/dbraw/zinc/25/00/95/211250095.db2.gz	BEZBKMHKTHGROC-UHFFFAOYSA-N	-1	3	386.427	1.858	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)on1	ZINC000095468868	211245401	/nfs/dbraw/zinc/24/54/01/211245401.db2.gz	KAUDUDXTZURYNR-QAPCUYQASA-N	-1	3	386.452	1.842	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c(=O)[n-]1	ZINC000095360385	211223701	/nfs/dbraw/zinc/22/37/01/211223701.db2.gz	LCWBTQZIMILXPH-GOEBONIOSA-N	-1	3	387.509	1.509	50	0		GDAAHM
Nc1cc(=O)[n-]c(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)n1	ZINC000095377307	211230691	/nfs/dbraw/zinc/23/06/91/211230691.db2.gz	MAKRXKBVBPQVOG-UHFFFAOYSA-N	-1	3	392.394	1.778	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c(=O)[n-]1	ZINC000091350943	211189311	/nfs/dbraw/zinc/18/93/11/211189311.db2.gz	MCKJIXBDLYIJLI-INIZCTEOSA-N	-1	3	378.436	1.704	50	0		GDAAHM
COc1cccc(OC)c1CN1CCC2(C[C@H](C(=O)[O-])N(C(C)=O)C2)CC1	ZINC000082135073	211162010	/nfs/dbraw/zinc/16/20/10/211162010.db2.gz	ACFUHVBDRCKSJS-MRXNPFEDSA-N	-1	3	376.453	1.991	50	0		GDAAHM
Cc1cc(-c2nn(C)c(Cl)c2CN2CCc3[nH]cnc3[C@H]2C(=O)[O-])no1	ZINC000072433228	211117358	/nfs/dbraw/zinc/11/73/58/211117358.db2.gz	ZLMQMWSGIUBXSE-AWEZNQCLSA-N	-1	3	376.804	1.944	50	0		GDAAHM
COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)cc1C	ZINC000072149069	211075944	/nfs/dbraw/zinc/07/59/44/211075944.db2.gz	HZQVHFKUZILFKD-CYBMUJFWSA-N	-1	3	385.420	1.424	50	0		GDAAHM
CC[C@H]1CN(C(=O)Cc2cnc(C)[n-]c2=O)CCC(=O)N1Cc1ccccc1	ZINC000071751251	211055072	/nfs/dbraw/zinc/05/50/72/211055072.db2.gz	NAAJRCUCQVWSNI-SFHVURJKSA-N	-1	3	382.464	1.661	50	0		GDAAHM
CCOC(=O)C[C@@H](c1cc(OC)cc(OC)c1)c1oc(CO)cc(=O)c1[O-]	ZINC000071279549	211042740	/nfs/dbraw/zinc/04/27/40/211042740.db2.gz	UZZIZPLDSPJTKJ-HNNXBMFYSA-N	-1	3	378.377	1.940	50	0		GDAAHM
Cc1ccc2cc(CN3CCN(C)[C@H](C(=O)[O-])C3)c(N3CCOCC3)nc2c1	ZINC000067840571	211024632	/nfs/dbraw/zinc/02/46/32/211024632.db2.gz	GSUWOYOCGIPFOW-IBGZPJMESA-N	-1	3	384.480	1.580	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2occc2C)c(=O)[n-]c1=O	ZINC000021668237	210389663	/nfs/dbraw/zinc/38/96/63/210389663.db2.gz	WOTKYPINZYLHHX-UHFFFAOYSA-N	-1	3	398.419	1.514	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(c2ccccn2)CC1	ZINC000072403003	136169326	/nfs/dbraw/zinc/16/93/26/136169326.db2.gz	RKMNTRJSMGSVQC-OAHLLOKOSA-N	-1	3	384.436	1.639	50	0		GDAAHM
O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1cc2ccccc2nc1N1CCOCC1	ZINC000072421470	136169861	/nfs/dbraw/zinc/16/98/61/136169861.db2.gz	WMYACSLSPPOUBI-IBGZPJMESA-N	-1	3	393.447	1.979	50	0		GDAAHM
CN(C)c1ccc(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)cn1	ZINC000048355971	570244376	/nfs/dbraw/zinc/24/43/76/570244376.db2.gz	YSMKGCCBXFOAPX-UHFFFAOYSA-N	-1	3	379.420	1.035	50	0		GDAAHM
COc1ccc(C)cc1S(=O)(=O)[N-]Cc1nc(OC)nc(N2CCCC2)n1	ZINC000575605597	570329073	/nfs/dbraw/zinc/32/90/73/570329073.db2.gz	CFKTVPIQHBQKKG-UHFFFAOYSA-N	-1	3	393.469	1.276	50	0		GDAAHM
O=C(c1c[nH]c(=O)[n-]c1=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1	ZINC000575606045	570329187	/nfs/dbraw/zinc/32/91/87/570329187.db2.gz	JHMJSINZKLLOTJ-ZDUSSCGKSA-N	-1	3	397.840	1.543	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(OC)n1	ZINC000575606844	570330187	/nfs/dbraw/zinc/33/01/87/570330187.db2.gz	LXWGIYUJENZIRW-UHFFFAOYSA-N	-1	3	391.409	1.331	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@]2(C)CC[C@H](C(=O)N(C)C)C2(C)C)n1	ZINC000023153637	570347337	/nfs/dbraw/zinc/34/73/37/570347337.db2.gz	ZYRFFVOZHUONMS-YJYMSZOUSA-N	-1	3	377.489	1.137	50	0		GDAAHM
CN1CCN(c2nc(CSc3nnnn3-c3ccccc3)cc(=O)[n-]2)CC1	ZINC000009065469	570548111	/nfs/dbraw/zinc/54/81/11/570548111.db2.gz	MZQBSEHMWAPIRN-UHFFFAOYSA-N	-1	3	384.469	1.202	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCc1nnc(Cc2ccc(C)cc2)[nH]1	ZINC000064969666	570620183	/nfs/dbraw/zinc/62/01/83/570620183.db2.gz	HIXMHQFIEYZCJQ-UHFFFAOYSA-N	-1	3	375.454	1.830	50	0		GDAAHM
COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)NC[C@@H]2CCCO2)C3)cc1	ZINC000065260321	570758559	/nfs/dbraw/zinc/75/85/59/570758559.db2.gz	HHVDEEFQDDBKNC-HNNXBMFYSA-N	-1	3	384.436	1.692	50	0		GDAAHM
COC(=O)c1ccc(C)c(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000007137862	570804743	/nfs/dbraw/zinc/80/47/43/570804743.db2.gz	LUQNEPDYHCJTMW-UHFFFAOYSA-N	-1	3	381.388	1.814	50	0		GDAAHM
CS(=O)(=O)N1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1	ZINC000032814481	570835269	/nfs/dbraw/zinc/83/52/69/570835269.db2.gz	AXNQUHGTZOHIMS-UHFFFAOYSA-N	-1	3	394.478	1.322	50	0		GDAAHM
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1	ZINC000032859726	570860180	/nfs/dbraw/zinc/86/01/80/570860180.db2.gz	OHVZFOPUKRVEEL-UHFFFAOYSA-N	-1	3	388.445	1.742	50	0		GDAAHM
Cc1nn(C)c(C)c1CN1CCC[C@H](CNC(=O)c2c(C(=O)[O-])cnn2C)C1	ZINC000020617723	570952347	/nfs/dbraw/zinc/95/23/47/570952347.db2.gz	NSPNUVHUAFSRCN-CQSZACIVSA-N	-1	3	388.472	1.111	50	0		GDAAHM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000044903301	570982141	/nfs/dbraw/zinc/98/21/41/570982141.db2.gz	VJCKLLJNEDUWNP-MRVPVSSYSA-N	-1	3	390.339	1.344	50	0		GDAAHM
CNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1	ZINC000045800222	570997155	/nfs/dbraw/zinc/99/71/55/570997155.db2.gz	JVOIKICAJRGULT-UHFFFAOYSA-N	-1	3	376.394	1.570	50	0		GDAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000011518995	571054655	/nfs/dbraw/zinc/05/46/55/571054655.db2.gz	FJNOOTDPTLQLSH-INIZCTEOSA-N	-1	3	381.388	1.970	50	0		GDAAHM
CO[C@@H](CS(=O)(=O)[N-]c1nccc(C)c1Br)[C@H]1CCOC1	ZINC000656741504	654053790	/nfs/dbraw/zinc/05/37/90/654053790.db2.gz	OYBSCTYTVSLZHF-QWRGUYRKSA-N	-1	3	379.276	1.946	50	0		GDAAHM
CO[C@H](CS(=O)(=O)[N-]c1nccc(C)c1Br)[C@H]1CCOC1	ZINC000656741506	654053929	/nfs/dbraw/zinc/05/39/29/654053929.db2.gz	OYBSCTYTVSLZHF-WDEREUQCSA-N	-1	3	379.276	1.946	50	0		GDAAHM
Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426511548	231232727	/nfs/dbraw/zinc/23/27/27/231232727.db2.gz	DCPIGVQXFDZHFC-UHFFFAOYSA-N	-1	3	378.392	1.191	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000017306788	210208500	/nfs/dbraw/zinc/20/85/00/210208500.db2.gz	BLNVCMIFDFUIQA-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000017306788	210208503	/nfs/dbraw/zinc/20/85/03/210208503.db2.gz	BLNVCMIFDFUIQA-UHFFFAOYSA-N	-1	3	398.872	1.751	50	0		GDAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000008709077	530549595	/nfs/dbraw/zinc/54/95/95/530549595.db2.gz	JHQXTKKXNBNEMN-IJLUTSLNSA-N	-1	3	384.274	1.774	50	0		GDAAHM
CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1	ZINC000004788296	530537712	/nfs/dbraw/zinc/53/77/12/530537712.db2.gz	VMSVIRQLTHBXDL-UHFFFAOYSA-N	-1	3	376.862	1.266	50	0		GDAAHM
Cc1ccc([C@@H]2[C@H](S(=O)(=O)[N-]CCCN3CCCC3=O)CON2C)s1	ZINC000034739352	530612568	/nfs/dbraw/zinc/61/25/68/530612568.db2.gz	JPPGCAKNCFHVEA-GDBMZVCRSA-N	-1	3	387.527	1.275	50	0		GDAAHM
O=C(c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1)N1CCOCC1	ZINC000035405413	530613380	/nfs/dbraw/zinc/61/33/80/530613380.db2.gz	MUFZJZIRVTXHPV-UHFFFAOYSA-N	-1	3	384.454	1.838	50	0		GDAAHM
CC[C@@]1(C)NC(=O)N([N-]C(=O)CSc2nccc(C(F)(F)F)n2)C1=O	ZINC000026481773	530585455	/nfs/dbraw/zinc/58/54/55/530585455.db2.gz	XEOPNDXQZBFFEB-GFCCVEGCSA-N	-1	3	377.348	1.339	50	0		GDAAHM
Cc1cc(S(=O)(=O)N2CC(n3c([O-])coc3=O)C2)c(Cl)cc1Cl	ZINC000252518160	531091051	/nfs/dbraw/zinc/09/10/51/531091051.db2.gz	AEOCAMIOXPUGFI-UHFFFAOYSA-N	-1	3	379.221	1.654	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1	ZINC000002616894	209370610	/nfs/dbraw/zinc/37/06/10/209370610.db2.gz	NFWWMFJTNZMWJD-UHFFFAOYSA-N	-1	3	393.399	1.230	50	0		GDAAHM
COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(OC)cc1Br	ZINC000000887322	209275368	/nfs/dbraw/zinc/27/53/68/209275368.db2.gz	XFERKKNFLICMQW-VIFPVBQESA-N	-1	3	380.260	1.924	50	0		GDAAHM
CCOc1ccc2c(c1)[C@@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2C(C)=O	ZINC000000806633	209268106	/nfs/dbraw/zinc/26/81/06/209268106.db2.gz	XHYJRCFRNUALJL-QGZVFWFLSA-N	-1	3	390.421	1.134	50	0		GDAAHM
O=C1C[C@@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCO2	ZINC000009037381	209249005	/nfs/dbraw/zinc/24/90/05/209249005.db2.gz	ZKWNYAXLHOMZEX-NSHDSACASA-N	-1	3	380.447	1.808	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](Cn1nccn1)c1ccccc1	ZINC000253473788	209218616	/nfs/dbraw/zinc/21/86/16/209218616.db2.gz	YKNLYDXAOZRGEC-ZDUSSCGKSA-N	-1	3	392.462	1.846	50	0		GDAAHM
O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCC(n2c([O-])coc2=O)CC1	ZINC000244975194	209214571	/nfs/dbraw/zinc/21/45/71/209214571.db2.gz	IFXZJULNKYFDMT-HNNXBMFYSA-N	-1	3	398.419	1.766	50	0		GDAAHM
COc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c([O-])c1	ZINC000299789338	212038697	/nfs/dbraw/zinc/03/86/97/212038697.db2.gz	ZTLALNWIAVOOKQ-SJLPKXTDSA-N	-1	3	375.425	1.371	50	0		GDAAHM
NS(=O)(=O)c1ccc(CNC(=O)c2c[n-]c3c(F)cccc3c2=O)cc1	ZINC000097785609	211374796	/nfs/dbraw/zinc/37/47/96/211374796.db2.gz	DUMBBSJNQQAAME-UHFFFAOYSA-N	-1	3	375.381	1.245	50	0		GDAAHM
COc1cc2nc(-c3ccc([C@H]4NC(=O)[N-]C4=O)cc3)nc(N)c2cc1OC	ZINC000097729768	211371169	/nfs/dbraw/zinc/37/11/69/211371169.db2.gz	QGYZIIDIFPCSQL-OAHLLOKOSA-N	-1	3	379.376	1.777	50	0		GDAAHM
CCCCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)C1	ZINC000095522332	211268189	/nfs/dbraw/zinc/26/81/89/211268189.db2.gz	AIGVSVWVXGUGGU-LBPRGKRZSA-N	-1	3	381.458	1.040	50	0		GDAAHM
Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)o1	ZINC000095504410	211254895	/nfs/dbraw/zinc/25/48/95/211254895.db2.gz	GUMXUVQRZSHEFL-HNNXBMFYSA-N	-1	3	386.452	1.929	50	0		GDAAHM
Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cnc(C)[n-]c3=O)C2)o1	ZINC000095504411	211255003	/nfs/dbraw/zinc/25/50/03/211255003.db2.gz	GUMXUVQRZSHEFL-OAHLLOKOSA-N	-1	3	386.452	1.929	50	0		GDAAHM
COc1ccc(OC)c([C@H](C(=O)[O-])N2CCC(N3CCNC(=O)CC3)CC2)c1	ZINC000095360716	211224337	/nfs/dbraw/zinc/22/43/37/211224337.db2.gz	YZTZJSSBUBVWOV-LJQANCHMSA-N	-1	3	391.468	1.116	50	0		GDAAHM
CCOc1ccc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cc1CO	ZINC000095351997	211222413	/nfs/dbraw/zinc/22/24/13/211222413.db2.gz	BFIFXPSIYZAVDB-MRXNPFEDSA-N	-1	3	376.453	1.475	50	0		GDAAHM
O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1	ZINC000091433957	211191892	/nfs/dbraw/zinc/19/18/92/211191892.db2.gz	FXESTDVYFZYVLB-AEFFLSMTSA-N	-1	3	396.915	1.910	50	0		GDAAHM
CC(C)c1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)[nH]n1	ZINC000091412537	211191950	/nfs/dbraw/zinc/19/19/50/211191950.db2.gz	RTFNMDHFGUPMRP-QAPCUYQASA-N	-1	3	391.516	1.476	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nc3c(nc(C)[n-]c3=O)n2C)cc1OC	ZINC000085746597	211178331	/nfs/dbraw/zinc/17/83/31/211178331.db2.gz	VAMRRCPWAFAMLC-UHFFFAOYSA-N	-1	3	389.437	1.713	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000072478597	211125195	/nfs/dbraw/zinc/12/51/95/211125195.db2.gz	QWWLDRCJBKQMTQ-XGHQBKJUSA-N	-1	3	383.448	1.285	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(N)=O	ZINC000072313995	211088557	/nfs/dbraw/zinc/08/85/57/211088557.db2.gz	HTXWVMCCJFXTAU-QWRGUYRKSA-N	-1	3	391.287	1.780	50	0		GDAAHM
CN(c1ncccc1C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)C1CCCCC1	ZINC000071770899	211062121	/nfs/dbraw/zinc/06/21/21/211062121.db2.gz	SSTGVDVLRWIEMX-UHFFFAOYSA-N	-1	3	382.468	1.715	50	0		GDAAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)n1	ZINC000067886547	211026042	/nfs/dbraw/zinc/02/60/42/211026042.db2.gz	XARARQGAOZZJCO-UHFFFAOYSA-N	-1	3	377.408	1.172	50	0		GDAAHM
C[C@@]1(c2ccco2)NC(=O)N([N-]C(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O	ZINC000021554348	210386001	/nfs/dbraw/zinc/38/60/01/210386001.db2.gz	XOQGAJQVCOUUEK-KRWDZBQOSA-N	-1	3	391.767	1.816	50	0		GDAAHM
COc1cccc(N2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)c1	ZINC000020114079	210317574	/nfs/dbraw/zinc/31/75/74/210317574.db2.gz	SPAYKQBWMBZAMT-UHFFFAOYSA-N	-1	3	395.506	1.384	50	0		GDAAHM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1	ZINC000009828155	221091831	/nfs/dbraw/zinc/09/18/31/221091831.db2.gz	MGCRMOYBEUDWBC-UHFFFAOYSA-N	-1	3	389.433	1.910	50	0		GDAAHM
O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC(=O)N1	ZINC000032497783	570217290	/nfs/dbraw/zinc/21/72/90/570217290.db2.gz	WEGGEHRPSRHMPI-HNNXBMFYSA-N	-1	3	377.397	1.844	50	0		GDAAHM
C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000011555362	570219552	/nfs/dbraw/zinc/21/95/52/570219552.db2.gz	CIXGQMXAGNGFNM-NSHDSACASA-N	-1	3	397.478	1.197	50	0		GDAAHM
C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1=O	ZINC000053525571	570324769	/nfs/dbraw/zinc/32/47/69/570324769.db2.gz	XMTXDJNZZCMZGH-GFCCVEGCSA-N	-1	3	378.392	1.431	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000024883841	570327565	/nfs/dbraw/zinc/32/75/65/570327565.db2.gz	PJRMBCPLTQBJHK-UHFFFAOYSA-N	-1	3	387.417	1.964	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccccc2Cl)nc(N2CCCC2)n1	ZINC000575606780	570330001	/nfs/dbraw/zinc/33/00/01/570330001.db2.gz	LRWPWVMKHWXLKZ-UHFFFAOYSA-N	-1	3	396.904	1.670	50	0		GDAAHM
CCCCN1c2ccc(OC)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000006397554	570404541	/nfs/dbraw/zinc/40/45/41/570404541.db2.gz	HFCHZEVLNUIFAQ-SFHVURJKSA-N	-1	3	390.465	1.997	50	0		GDAAHM
Cn1cc(/C=C/C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)cn1	ZINC000012207025	570626114	/nfs/dbraw/zinc/62/61/14/570626114.db2.gz	AGZBOUSWMGGOKH-UZYOAWRESA-N	-1	3	394.522	1.712	50	0		GDAAHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C)C(=O)NC(C)(C)C	ZINC000060318775	570630683	/nfs/dbraw/zinc/63/06/83/570630683.db2.gz	WEXVVSNRTHYBRP-CYBMUJFWSA-N	-1	3	385.468	1.492	50	0		GDAAHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000012322767	570642882	/nfs/dbraw/zinc/64/28/82/570642882.db2.gz	PUHWEBXAXKBHLD-CQSZACIVSA-N	-1	3	397.435	1.833	50	0		GDAAHM
COc1ccc(CC(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(OC)c1	ZINC000032824309	570838490	/nfs/dbraw/zinc/83/84/90/570838490.db2.gz	KKTXATSAQYDFAQ-HXUWFJFHSA-N	-1	3	383.404	1.940	50	0		GDAAHM
CCN(CC)S(=O)(=O)c1ccc([O-])c(C(=O)OCC(=O)N2CCCC2)c1	ZINC000003244504	570840647	/nfs/dbraw/zinc/84/06/47/570840647.db2.gz	KSAKEDKTWVVRRQ-UHFFFAOYSA-N	-1	3	384.454	1.202	50	0		GDAAHM
O=C(CN1C(=O)[N-][C@H](c2ccccc2OC(F)(F)F)C1=O)NCC(F)(F)F	ZINC000032932704	570945731	/nfs/dbraw/zinc/94/57/31/570945731.db2.gz	YPIXTKPIXPAZGR-SNVBAGLBSA-N	-1	3	399.247	1.857	50	0		GDAAHM
O=C(NCCc1ccccc1)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F	ZINC000004742406	570956789	/nfs/dbraw/zinc/95/67/89/570956789.db2.gz	SIKOBAAKONVROK-SUMWQHHRSA-N	-1	3	383.370	1.985	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1	ZINC000017306790	210208366	/nfs/dbraw/zinc/20/83/66/210208366.db2.gz	KYTYSXGXILRYQM-UHFFFAOYSA-N	-1	3	394.453	1.106	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1	ZINC000017306790	210208369	/nfs/dbraw/zinc/20/83/69/210208369.db2.gz	KYTYSXGXILRYQM-UHFFFAOYSA-N	-1	3	394.453	1.106	50	0		GDAAHM
CN1CCN(C(=S)SCC(=O)[N-]c2nc(=O)c3ccccc3s2)CC1	ZINC000003642872	530535344	/nfs/dbraw/zinc/53/53/44/530535344.db2.gz	BFTBCCDVFDSIOA-UHFFFAOYSA-N	-1	3	394.547	1.861	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1	ZINC000007304329	530545090	/nfs/dbraw/zinc/54/50/90/530545090.db2.gz	XFCOMSQXHPQUGE-LBPRGKRZSA-N	-1	3	398.300	1.313	50	0		GDAAHM
Cc1ccn2c(=O)cc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)nc2c1	ZINC000014641795	210123387	/nfs/dbraw/zinc/12/33/87/210123387.db2.gz	KUJMDCFKSAZKSO-UHFFFAOYSA-N	-1	3	387.417	1.731	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCn2nc(C(F)(F)F)c3c2CCCC3)c1	ZINC000096121581	530817435	/nfs/dbraw/zinc/81/74/35/530817435.db2.gz	MHDDTRXETMHBLF-UHFFFAOYSA-N	-1	3	377.392	1.493	50	0		GDAAHM
C[C@]([N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1)(C(N)=O)c1ccccc1	ZINC000184281509	530825950	/nfs/dbraw/zinc/82/59/50/530825950.db2.gz	UZGPLCGIFAOHQT-CYBMUJFWSA-N	-1	3	376.360	1.124	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@H](O)c3ccccc3Br)c(=O)[n-]c21	ZINC000241644697	531055230	/nfs/dbraw/zinc/05/52/30/531055230.db2.gz	PSTNUZRVCUIBTQ-JTQLQIEISA-N	-1	3	393.197	1.173	50	0		GDAAHM
COc1ccc(S(=O)(=O)N2CCC(n3c([O-])coc3=O)CC2)cc1Cl	ZINC000252500869	531091046	/nfs/dbraw/zinc/09/10/46/531091046.db2.gz	TXEHYEMSEYINAL-UHFFFAOYSA-N	-1	3	388.829	1.481	50	0		GDAAHM
CSCC[C@H](CO)NC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000252499956	531091393	/nfs/dbraw/zinc/09/13/93/531091393.db2.gz	SJXKOANNCOTYCT-GFCCVEGCSA-N	-1	3	385.511	1.243	50	0		GDAAHM
C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc3c(c2)OCC(=O)N3)C1=O	ZINC000012777136	210006816	/nfs/dbraw/zinc/00/68/16/210006816.db2.gz	NZLBNZPOTQEIFN-LJQANCHMSA-N	-1	3	380.360	1.130	50	0		GDAAHM
COC[C@@H]1CCCN1S(=O)(=O)[N-]Cc1nc(-c2ccccc2Cl)no1	ZINC000670450088	531833005	/nfs/dbraw/zinc/83/30/05/531833005.db2.gz	AUQGERUGIGCMFS-NSHDSACASA-N	-1	3	386.861	1.835	50	0		GDAAHM
COC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1ccc(Br)cc1	ZINC000000951793	209283761	/nfs/dbraw/zinc/28/37/61/209283761.db2.gz	MNKPJDUXMVBZGF-LLVKDONJSA-N	-1	3	392.209	1.830	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(CCSc3ccccc3)C[C@]2(C(=O)[O-])C1	ZINC000096139757	211305692	/nfs/dbraw/zinc/30/56/92/211305692.db2.gz	DODPJTXKKDXVKA-YOEHRIQHSA-N	-1	3	384.523	1.447	50	0		GDAAHM
CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1	ZINC000095507825	211258730	/nfs/dbraw/zinc/25/87/30/211258730.db2.gz	UIZXIYRSBHIQOJ-MRXNPFEDSA-N	-1	3	399.495	1.152	50	0		GDAAHM
O=C1OCC[C@H]1N1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000095455705	211243090	/nfs/dbraw/zinc/24/30/90/211243090.db2.gz	XIJNJPQDXMDCFC-GFCCVEGCSA-N	-1	3	394.280	1.447	50	0		GDAAHM
Cn1cc(Cl)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1	ZINC000095360963	211223928	/nfs/dbraw/zinc/22/39/28/211223928.db2.gz	MLTACXUIKVIZHQ-HIFRSBDPSA-N	-1	3	397.907	1.016	50	0		GDAAHM
COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)c3cnc(C)[n-]c3=O)C2)cc1	ZINC000095368418	211228473	/nfs/dbraw/zinc/22/84/73/211228473.db2.gz	CXCNLWYLZILCMT-DLBZAZTESA-N	-1	3	382.464	1.824	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1	ZINC000072427340	211118184	/nfs/dbraw/zinc/11/81/84/211118184.db2.gz	BUPHKBVEWULDIY-HXUWFJFHSA-N	-1	3	381.436	1.210	50	0		GDAAHM
COc1cccc(OC)c1CN1CC2(C[C@@H]1C(=O)[O-])CCN(C(C)=O)CC2	ZINC000072406921	211113343	/nfs/dbraw/zinc/11/33/43/211113343.db2.gz	ZLIIMHJSHUCXKS-MRXNPFEDSA-N	-1	3	376.453	1.991	50	0		GDAAHM
COc1ccc(CN2C[C@H](C(=O)NCc3cccnc3)C[C@H](C(=O)[O-])C2)cc1	ZINC000071761251	211057953	/nfs/dbraw/zinc/05/79/53/211057953.db2.gz	GCCRNEHSMJSUQX-MSOLQXFVSA-N	-1	3	383.448	1.929	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CCc1csc(-n2cccn2)n1	ZINC000090703660	211038279	/nfs/dbraw/zinc/03/82/79/211038279.db2.gz	LNZGCTGNUHGYHY-UHFFFAOYSA-N	-1	3	398.491	1.698	50	0		GDAAHM
CN(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1cnc3ccccc3c1)C2	ZINC000067966205	211031515	/nfs/dbraw/zinc/03/15/15/211031515.db2.gz	RNIDYGHNLRFAAL-UHFFFAOYSA-N	-1	3	393.447	1.890	50	0		GDAAHM
C[C@@H](c1ccncn1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067688696	211016994	/nfs/dbraw/zinc/01/69/94/211016994.db2.gz	YADPLOFYEMLUMF-VIFPVBQESA-N	-1	3	382.467	1.264	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCCN1CCCCCC1=O	ZINC000032794861	210588759	/nfs/dbraw/zinc/58/87/59/210588759.db2.gz	MOXFEIFGIQRBEM-UHFFFAOYSA-N	-1	3	391.497	1.919	50	0		GDAAHM
Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000039383733	132391002	/nfs/dbraw/zinc/39/10/02/132391002.db2.gz	OFBCLOCEUQMMLW-UHFFFAOYSA-N	-1	3	383.500	1.523	50	0		GDAAHM
COc1cccc(NC(=O)C[C@H](CN2CCN(c3ccccn3)CC2)C(=O)[O-])c1	ZINC000061721995	136156007	/nfs/dbraw/zinc/15/60/07/136156007.db2.gz	WKVDYJPBXMEOHN-MRXNPFEDSA-N	-1	3	398.463	1.942	50	0		GDAAHM
Cc1ccccc1-c1ncc(CN2CCN(c3cc(=O)[n-]c(N)n3)CC2)cn1	ZINC000215309715	136202900	/nfs/dbraw/zinc/20/29/00/136202900.db2.gz	XNBOVYUXTIQACF-UHFFFAOYSA-N	-1	3	377.452	1.440	50	0		GDAAHM
CN1CCC[C@@H](CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096165420	536364513	/nfs/dbraw/zinc/36/45/13/536364513.db2.gz	MCZHOOKNNNMKJT-AWEZNQCLSA-N	-1	3	377.489	1.429	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)on1	ZINC000014153479	570293776	/nfs/dbraw/zinc/29/37/76/570293776.db2.gz	PEWYVWRQKIILAU-LBPRGKRZSA-N	-1	3	393.421	1.707	50	0		GDAAHM
COc1cccc2c(=O)c(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c[n-]c12	ZINC000604403922	570361021	/nfs/dbraw/zinc/36/10/21/570361021.db2.gz	DOSBHRLAECAPAU-KGLIPLIRSA-N	-1	3	391.427	1.958	50	0	biogenic	GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cccc(C(=O)OC)c3)cnc21	ZINC000029809543	570480344	/nfs/dbraw/zinc/48/03/44/570480344.db2.gz	RHCAUDRWLKCUJX-UHFFFAOYSA-N	-1	3	382.376	1.534	50	0		GDAAHM
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNc1nc(C)cc(=O)[n-]1	ZINC000223919865	570490067	/nfs/dbraw/zinc/49/00/67/570490067.db2.gz	OKTZUMNAOIFHMY-UHFFFAOYSA-N	-1	3	380.452	1.652	50	0		GDAAHM
CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269078614	570523793	/nfs/dbraw/zinc/52/37/93/570523793.db2.gz	BTMDROSMRHQBQR-FGTMMUONSA-N	-1	3	387.480	1.131	50	0		GDAAHM
O=c1[n-]nc(SCCCn2c(=O)[nH]c3ccccc32)n1C[C@H]1CCCO1	ZINC000008882231	570683705	/nfs/dbraw/zinc/68/37/05/570683705.db2.gz	UVHSUYLYUFOQTF-GFCCVEGCSA-N	-1	3	375.454	1.576	50	0		GDAAHM
CCCCn1c(=O)[n-]nc1S(=O)(=O)CCC(=O)N1CCc2ccccc21	ZINC000058168117	570714421	/nfs/dbraw/zinc/71/44/21/570714421.db2.gz	YEMSKXHSGBZPFI-UHFFFAOYSA-N	-1	3	378.454	1.537	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)CCOc1ccc(C)cc1	ZINC000024389337	570795720	/nfs/dbraw/zinc/79/57/20/570795720.db2.gz	PQRIABCTIDFVOH-AWEZNQCLSA-N	-1	3	395.481	1.804	50	0		GDAAHM
O=C(CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)NC[C@@H]1CCCO1	ZINC000036712354	570803082	/nfs/dbraw/zinc/80/30/82/570803082.db2.gz	ZRQWDWFASMRVRW-AWEZNQCLSA-N	-1	3	399.476	1.555	50	0		GDAAHM
CCOc1cc(C(=O)CCC(=O)OCC(=O)NC(=O)NCC(C)C)ccc1[O-]	ZINC000005944029	570807391	/nfs/dbraw/zinc/80/73/91/570807391.db2.gz	NQBPGQKGRFFTSY-UHFFFAOYSA-N	-1	3	394.424	1.779	50	0		GDAAHM
O=C(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCCC1	ZINC000012569116	570873481	/nfs/dbraw/zinc/87/34/81/570873481.db2.gz	DYFARHCCJGPNCG-UHFFFAOYSA-N	-1	3	399.900	1.523	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccs2)CC1	ZINC000032881927	570883918	/nfs/dbraw/zinc/88/39/18/570883918.db2.gz	YMCJDEAIUNEQRI-GFCCVEGCSA-N	-1	3	398.485	1.298	50	0		GDAAHM
Nc1nc(COC(=O)CC[N-]S(=O)(=O)c2cccs2)nc2ccccc12	ZINC000012638865	570932687	/nfs/dbraw/zinc/93/26/87/570932687.db2.gz	FHPXBERIEGANTO-UHFFFAOYSA-N	-1	3	392.462	1.685	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2ccccc2F)CC1	ZINC000017306794	210207164	/nfs/dbraw/zinc/20/71/64/210207164.db2.gz	JQEOJNBQEDDTMY-UHFFFAOYSA-N	-1	3	382.417	1.236	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2ccccc2F)CC1	ZINC000017306794	210207168	/nfs/dbraw/zinc/20/71/68/210207168.db2.gz	JQEOJNBQEDDTMY-UHFFFAOYSA-N	-1	3	382.417	1.236	50	0		GDAAHM
C[C@H]1CCCN(CCC[N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)C1	ZINC000015728268	210164532	/nfs/dbraw/zinc/16/45/32/210164532.db2.gz	YLWZDTYFWPJNDJ-ZDUSSCGKSA-N	-1	3	380.470	1.430	50	0		GDAAHM
CCOC(=O)N1CCN(C(=O)CSc2n[n-]c(-c3cccs3)n2)CC1	ZINC000008476899	530549967	/nfs/dbraw/zinc/54/99/67/530549967.db2.gz	VUFVXYZIUXYMBH-UHFFFAOYSA-N	-1	3	381.483	1.926	50	0		GDAAHM
CCOC(=O)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl	ZINC000004593436	530536925	/nfs/dbraw/zinc/53/69/25/530536925.db2.gz	DPQLLUSPHSFPCL-UHFFFAOYSA-N	-1	3	395.264	1.727	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1	ZINC000007304330	530545028	/nfs/dbraw/zinc/54/50/28/530545028.db2.gz	XFCOMSQXHPQUGE-GFCCVEGCSA-N	-1	3	398.300	1.313	50	0		GDAAHM
C[C@H](Sc1nc2sccc2c(=O)[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000010581392	530552689	/nfs/dbraw/zinc/55/26/89/530552689.db2.gz	GXYGSHWMXZVQGA-DTWKUNHWSA-N	-1	3	387.508	1.111	50	0		GDAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N1	ZINC000054535458	530701408	/nfs/dbraw/zinc/70/14/08/530701408.db2.gz	UPHGWXNYQJGHJP-UHFFFAOYSA-N	-1	3	377.344	1.068	50	0		GDAAHM
O=S(=O)([N-]C1CCN(C2CC2)CC1)c1ccccc1S(=O)(=O)C(F)F	ZINC000253433253	531092018	/nfs/dbraw/zinc/09/20/18/531092018.db2.gz	UMUNABIJEDQNRV-UHFFFAOYSA-N	-1	3	394.465	1.588	50	0		GDAAHM
Cc1cc(C)n(CC[N-]S(=O)(=O)c2cc(-c3ccno3)cs2)c(=O)n1	ZINC000670458243	531833347	/nfs/dbraw/zinc/83/33/47/531833347.db2.gz	DZPAJUPSEONESB-UHFFFAOYSA-N	-1	3	380.451	1.555	50	0		GDAAHM
Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cccc3nsnc32)cc1	ZINC000002928244	209399064	/nfs/dbraw/zinc/39/90/64/209399064.db2.gz	XCDIWTILNQSXQF-UHFFFAOYSA-N	-1	3	376.463	1.594	50	0		GDAAHM
COCCCNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccco1	ZINC000002938540	209398406	/nfs/dbraw/zinc/39/84/06/209398406.db2.gz	JRQYVFKWAMGRBI-MRXNPFEDSA-N	-1	3	396.465	1.851	50	0		GDAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O	ZINC000002475903	209366431	/nfs/dbraw/zinc/36/64/31/209366431.db2.gz	ZFUWULFMYDBSTQ-UHFFFAOYSA-N	-1	3	382.376	1.244	50	0		GDAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1	ZINC000002638174	209374476	/nfs/dbraw/zinc/37/44/76/209374476.db2.gz	MGWGEESTDKNXCK-UHFFFAOYSA-N	-1	3	381.344	1.651	50	0		GDAAHM
CCn1cnnc1C[N-]S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1	ZINC000225550438	211905629	/nfs/dbraw/zinc/90/56/29/211905629.db2.gz	UTHHXPCGGGWOLO-UHFFFAOYSA-N	-1	3	384.421	1.980	50	0		GDAAHM
C[C@@H](NC(=O)c1ccoc1)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2)no1	ZINC000095972466	211291436	/nfs/dbraw/zinc/29/14/36/211291436.db2.gz	YAZGAQYVFRXYDV-SNVBAGLBSA-N	-1	3	394.384	1.771	50	0		GDAAHM
CN1CCN(C[C@H](CC(=O)Nc2nc3ccc(F)cc3s2)C(=O)[O-])CC1	ZINC000079485710	211158287	/nfs/dbraw/zinc/15/82/87/211158287.db2.gz	DDCMQGQAHDCVFZ-NSHDSACASA-N	-1	3	380.445	1.712	50	0		GDAAHM
COc1cc(CN2CCC3(C[C@H](C(=O)[O-])N(C(C)=O)C3)CC2)cc(OC)c1	ZINC000082134659	211162872	/nfs/dbraw/zinc/16/28/72/211162872.db2.gz	ZRLZBDVITOLJNX-GOSISDBHSA-N	-1	3	376.453	1.991	50	0		GDAAHM
COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)cc1OC	ZINC000079048489	211153313	/nfs/dbraw/zinc/15/33/13/211153313.db2.gz	GIFFQJIEMXOPCU-JTQLQIEISA-N	-1	3	380.401	1.925	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)CN1CCN(Cc2cccnc2)CC1	ZINC000071281560	211042139	/nfs/dbraw/zinc/04/21/39/211042139.db2.gz	UWGOHABKQHYTLR-KRWDZBQOSA-N	-1	3	398.463	1.634	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000020721060	210356951	/nfs/dbraw/zinc/35/69/51/210356951.db2.gz	JIAZOFXIAAMDNR-ZDUSSCGKSA-N	-1	3	393.490	1.196	50	0		GDAAHM
CCN1CCN(c2nc(-c3cnc(N4CCC(C)CC4)nc3C)cc(=O)[n-]2)CC1	ZINC000039383714	132390888	/nfs/dbraw/zinc/39/08/88/132390888.db2.gz	NKKROTPGLKVVCF-UHFFFAOYSA-N	-1	3	397.527	1.914	50	0		GDAAHM
O=C(c1ccc(-n2cnnn2)cc1[O-])N1CCCN(Cc2ccccn2)CC1	ZINC000215452672	570289072	/nfs/dbraw/zinc/28/90/72/570289072.db2.gz	KMKSUSCKNCFMLI-UHFFFAOYSA-N	-1	3	379.424	1.111	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3cccc(F)c3)C[C@H]1CN(C(=O)C1CCOCC1)C2	ZINC000215884333	570292751	/nfs/dbraw/zinc/29/27/51/570292751.db2.gz	XHTUMFKNIRKBJB-JXFKEZNVSA-N	-1	3	376.428	1.597	50	0		GDAAHM
O=c1[n-]c(=O)n(C2CC2)c2nc(C3CC3)nc(S[C@@H]3CCCCNC3=O)c12	ZINC000022419318	570316635	/nfs/dbraw/zinc/31/66/35/570316635.db2.gz	KWXOGAMFHMTZPC-LLVKDONJSA-N	-1	3	387.465	1.453	50	0		GDAAHM
COc1cc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC(C)=C2C(=O)OC(C)C)ccc1O	ZINC000006498408	570457120	/nfs/dbraw/zinc/45/71/20/570457120.db2.gz	JBIZCMFEZCAKAR-AWEZNQCLSA-N	-1	3	387.392	1.560	50	0		GDAAHM
Cc1cccc2[nH]c(COCC(=O)N3CCC(c4cc(=O)[n-]cn4)CC3)nc21	ZINC000032590418	570511741	/nfs/dbraw/zinc/51/17/41/570511741.db2.gz	XARHGYXXJGZBDF-UHFFFAOYSA-N	-1	3	381.436	1.877	50	0		GDAAHM
Cc1cccc2nc(COCC(=O)N3CCC(c4cc(=O)[n-]cn4)CC3)[nH]c21	ZINC000032590418	570511744	/nfs/dbraw/zinc/51/17/44/570511744.db2.gz	XARHGYXXJGZBDF-UHFFFAOYSA-N	-1	3	381.436	1.877	50	0		GDAAHM
CCN(C(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C1=CCCCC1	ZINC000006651794	570518662	/nfs/dbraw/zinc/51/86/62/570518662.db2.gz	PEKKXJOHRPIZJW-UHFFFAOYSA-N	-1	3	385.420	1.539	50	0		GDAAHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000012409647	570655608	/nfs/dbraw/zinc/65/56/08/570655608.db2.gz	VMEWPEMHJQLMGV-AWEZNQCLSA-N	-1	3	397.435	1.833	50	0		GDAAHM
COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1	ZINC000055245507	570688931	/nfs/dbraw/zinc/68/89/31/570688931.db2.gz	WNAPMUQXLDDNHM-AWEZNQCLSA-N	-1	3	382.376	1.484	50	0		GDAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC[C@H]1CCCO1	ZINC000019079750	570731326	/nfs/dbraw/zinc/73/13/26/570731326.db2.gz	OKDGHOMYNKMWLF-RISCZKNCSA-N	-1	3	398.510	1.289	50	0		GDAAHM
C[C@@]1(c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc43)c2)NC(=O)[N-]C1=O	ZINC000058982042	570736796	/nfs/dbraw/zinc/73/67/96/570736796.db2.gz	NTDOZQMEMGYYCP-IBGZPJMESA-N	-1	3	377.360	1.230	50	0		GDAAHM
C[C@]1(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)NC(=O)[N-]C1=O	ZINC000052663607	570758521	/nfs/dbraw/zinc/75/85/21/570758521.db2.gz	MWWGRJSJWJXJFL-GOSISDBHSA-N	-1	3	393.465	1.427	50	0		GDAAHM
CS(=O)(=O)c1cccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000007118839	570792674	/nfs/dbraw/zinc/79/26/74/570792674.db2.gz	MSDGZSYBOAPROL-UHFFFAOYSA-N	-1	3	387.417	1.122	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1cccc(OC)c1	ZINC000031617911	570817791	/nfs/dbraw/zinc/81/77/91/570817791.db2.gz	ZXJRNKJKSBKJKS-UHFFFAOYSA-N	-1	3	377.422	1.282	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)NCc1ccccc1Cl	ZINC000007418489	570838848	/nfs/dbraw/zinc/83/88/48/570838848.db2.gz	PEVPIDOKIZMLQH-UHFFFAOYSA-N	-1	3	393.856	1.174	50	0		GDAAHM
CC(=O)c1ccc(NC(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1	ZINC000015881234	210178412	/nfs/dbraw/zinc/17/84/12/210178412.db2.gz	YCBOSGLRSYTUDZ-UHFFFAOYSA-N	-1	3	387.421	1.045	50	0		GDAAHM
CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000015787061	210171852	/nfs/dbraw/zinc/17/18/52/210171852.db2.gz	CGVRJLYDQMQKGU-UHFFFAOYSA-N	-1	3	389.437	1.548	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000009226258	530550429	/nfs/dbraw/zinc/55/04/29/530550429.db2.gz	FUDPOUCHEIXAFD-PWSUYJOCSA-N	-1	3	376.862	1.311	50	0		GDAAHM
C[C@H](Sc1nc2sccc2c(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000010581405	530552495	/nfs/dbraw/zinc/55/24/95/530552495.db2.gz	GXYGSHWMXZVQGA-IUCAKERBSA-N	-1	3	387.508	1.111	50	0		GDAAHM
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2c[nH]nc2C)cc1F	ZINC000170619716	530586881	/nfs/dbraw/zinc/58/68/81/530586881.db2.gz	NIFIIDBGSRKFCC-UHFFFAOYSA-N	-1	3	390.462	1.487	50	0		GDAAHM
O=C(c1csc(S(=O)(=O)[N-]CCCN2CCCC2=O)c1)N1CCCC1	ZINC000045961565	530648582	/nfs/dbraw/zinc/64/85/82/530648582.db2.gz	KPDPKNRVYQBOSS-UHFFFAOYSA-N	-1	3	385.511	1.275	50	0		GDAAHM
COc1ccc(Br)c(C(=O)N2CC[C@H](n3c([O-])coc3=O)C2)c1	ZINC000225700445	531030688	/nfs/dbraw/zinc/03/06/88/531030688.db2.gz	MZUSNZYDUKRTEX-VIFPVBQESA-N	-1	3	383.198	1.651	50	0		GDAAHM
CCSc1nnc(NC(=O)CN2CCC[C@H](c3cc(=O)[n-]cn3)C2)s1	ZINC000244840382	531056893	/nfs/dbraw/zinc/05/68/93/531056893.db2.gz	UMHIGYSDUAWLKJ-JTQLQIEISA-N	-1	3	380.499	1.964	50	0		GDAAHM
COCc1nnc([N-]C(=O)c2c3c(sc2-n2cnnn2)CCCC3)s1	ZINC000524732680	531279039	/nfs/dbraw/zinc/27/90/39/531279039.db2.gz	IGEUGEPWSXNSCB-UHFFFAOYSA-N	-1	3	377.455	1.853	50	0		GDAAHM
CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000009571140	209282232	/nfs/dbraw/zinc/28/22/32/209282232.db2.gz	XIJJGQDDIUTPCA-UHFFFAOYSA-N	-1	3	377.401	1.679	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc2c(c1)OCCO2	ZINC000239846195	209215947	/nfs/dbraw/zinc/21/59/47/209215947.db2.gz	KYYNJADHRBVMNJ-LLVKDONJSA-N	-1	3	399.446	1.318	50	0		GDAAHM
Cc1cc(=NC(=O)c2cc3cc(F)ccc3n2C)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159164	212043624	/nfs/dbraw/zinc/04/36/24/212043624.db2.gz	KDPSCPDBTQABKI-AWEZNQCLSA-N	-1	3	390.440	1.856	50	0		GDAAHM
COC(=O)C1=C(C)NC(=O)[C@]1([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000100278256	211385536	/nfs/dbraw/zinc/38/55/36/211385536.db2.gz	WYFAZDFYNLMFMZ-AWEZNQCLSA-N	-1	3	392.355	1.151	50	0		GDAAHM
CCOC(=O)CCN(C(=O)c1c[n-]c2cc3c(cc2c1=O)OCCO3)C1CC1	ZINC000096012357	211295037	/nfs/dbraw/zinc/29/50/37/211295037.db2.gz	JKFPUGARYAJYDM-UHFFFAOYSA-N	-1	3	386.404	1.857	50	0		GDAAHM
O=C(NCc1nnn[n-]1)c1ccccc1OC1CCN(Cc2ccccn2)CC1	ZINC000095506522	211257758	/nfs/dbraw/zinc/25/77/58/211257758.db2.gz	GFENWGIRUDFQJR-UHFFFAOYSA-N	-1	3	393.451	1.568	50	0		GDAAHM
O=C(NCc1nn[n-]n1)c1ccccc1OC1CCN(Cc2ccccn2)CC1	ZINC000095506522	211257761	/nfs/dbraw/zinc/25/77/61/211257761.db2.gz	GFENWGIRUDFQJR-UHFFFAOYSA-N	-1	3	393.451	1.568	50	0		GDAAHM
Cn1nc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2c1cccc2Oc1cccnc1	ZINC000072479167	211123729	/nfs/dbraw/zinc/12/37/29/211123729.db2.gz	OTDDINJKTMWYGQ-NSHDSACASA-N	-1	3	380.364	1.297	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc2C1	ZINC000090611547	211038841	/nfs/dbraw/zinc/03/88/41/211038841.db2.gz	VMJIMCYULOBJRY-KRWDZBQOSA-N	-1	3	381.475	1.733	50	0		GDAAHM
Cc1cc(C(=O)[N-]c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)co2)no1	ZINC000090582964	211035875	/nfs/dbraw/zinc/03/58/75/211035875.db2.gz	MZSUEOZWFRNISW-UHFFFAOYSA-N	-1	3	399.363	1.415	50	0		GDAAHM
CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1[O-]	ZINC000019851892	210301770	/nfs/dbraw/zinc/30/17/70/210301770.db2.gz	OUDWOVPXZAYRSV-UHFFFAOYSA-N	-1	3	377.470	1.567	50	0		GDAAHM
COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(F)cc1)C3	ZINC000019821165	210299900	/nfs/dbraw/zinc/29/99/00/210299900.db2.gz	LWQSAWBZQWIABO-GFCCVEGCSA-N	-1	3	383.379	1.783	50	0		GDAAHM
CCc1cc(N2CCC(NCc3n[nH]c(=O)[n-]3)CC2)nc(N2CCCCC2)n1	ZINC000095519829	136180847	/nfs/dbraw/zinc/18/08/47/136180847.db2.gz	BWTJYVZBBBILAX-UHFFFAOYSA-N	-1	3	386.504	1.612	50	0		GDAAHM
Cc1cc(C(=O)NCc2nc3cc(F)ccc3[nH]2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426526111	534062401	/nfs/dbraw/zinc/06/24/01/534062401.db2.gz	MZNOQARUHBCHJK-UHFFFAOYSA-N	-1	3	382.355	1.288	50	0		GDAAHM
CCCN1CC[C@@H](Nc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096165074	534949531	/nfs/dbraw/zinc/94/95/31/534949531.db2.gz	WMEVKHPVOIDZFC-CQSZACIVSA-N	-1	3	377.489	1.572	50	0		GDAAHM
Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)c3c(=O)[n-]n(C)c3[nH]c2=O)on1	ZINC000048333143	570237780	/nfs/dbraw/zinc/23/77/80/570237780.db2.gz	JBBHLGFGFCLONP-CYBMUJFWSA-N	-1	3	385.424	1.456	50	0		GDAAHM
Cc1c([O-])ccc2c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc(=O)oc12	ZINC000023479700	570363567	/nfs/dbraw/zinc/36/35/67/570363567.db2.gz	DNGMKNFUWAMZNY-HNNXBMFYSA-N	-1	3	392.477	1.112	50	0		GDAAHM
CCOc1ccc(-c2cc(C(=O)OC)c3c(=O)[n-]c(=O)n(CCOC)c3n2)cc1	ZINC000006550584	570473435	/nfs/dbraw/zinc/47/34/35/570473435.db2.gz	INAGEGDSOJHBKT-UHFFFAOYSA-N	-1	3	399.403	1.584	50	0		GDAAHM
COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21	ZINC000064818672	570553370	/nfs/dbraw/zinc/55/33/70/570553370.db2.gz	LFWKANMUYRUNQL-UHFFFAOYSA-N	-1	3	398.343	1.847	50	0		GDAAHM
COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@H]2NC(=O)[N-]C2=O)c1	ZINC000055245504	570688806	/nfs/dbraw/zinc/68/88/06/570688806.db2.gz	WNAPMUQXLDDNHM-CQSZACIVSA-N	-1	3	382.376	1.484	50	0		GDAAHM
Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000058163007	570713515	/nfs/dbraw/zinc/71/35/15/570713515.db2.gz	AAQFTELNJYDETR-MRXNPFEDSA-N	-1	3	379.420	1.185	50	0		GDAAHM
O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CC1)NC(=O)NC2=O	ZINC000058343041	570728074	/nfs/dbraw/zinc/72/80/74/570728074.db2.gz	OLAIVKYBVOWPEB-UHFFFAOYSA-N	-1	3	379.416	1.797	50	0		GDAAHM
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccccc1[O-]	ZINC000025402125	570749091	/nfs/dbraw/zinc/74/90/91/570749091.db2.gz	ORCFMEUAPDAUAZ-UHFFFAOYSA-N	-1	3	392.433	1.861	50	0		GDAAHM
COCCc1noc(-c2nc3c([n-]2)C[C@@H](c2cccc(OC)c2)CNC3=O)n1	ZINC000065463213	570769736	/nfs/dbraw/zinc/76/97/36/570769736.db2.gz	KUDYKWACTQDJRL-GFCCVEGCSA-N	-1	3	383.408	1.727	50	0		GDAAHM
COCCc1noc(-c2nc3c([n-]2)C(=O)NC[C@H](c2cccc(OC)c2)C3)n1	ZINC000065463213	570769737	/nfs/dbraw/zinc/76/97/37/570769737.db2.gz	KUDYKWACTQDJRL-GFCCVEGCSA-N	-1	3	383.408	1.727	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)[C@@H]1CC(=O)N(CCc2ccccc2)C1=O	ZINC000102181368	570842542	/nfs/dbraw/zinc/84/25/42/570842542.db2.gz	TZIHCKQFHASITN-OAHLLOKOSA-N	-1	3	396.472	1.787	50	0		GDAAHM
CC[C@@H](C)n1c(=O)[nH]c([O-])c([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)c1=O	ZINC000017015894	570924024	/nfs/dbraw/zinc/92/40/24/570924024.db2.gz	DJOBBCLLCCWNJM-QGHHPUGFSA-N	-1	3	384.436	1.938	50	0	biogenic	GDAAHM
CC[C@@H](C)n1c([O-])c([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)c(=O)[nH]c1=O	ZINC000017015894	570924030	/nfs/dbraw/zinc/92/40/30/570924030.db2.gz	DJOBBCLLCCWNJM-QGHHPUGFSA-N	-1	3	384.436	1.938	50	0	biogenic	GDAAHM
C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(S(C)(=O)=O)c2)C1=O	ZINC000011366629	570986655	/nfs/dbraw/zinc/98/66/55/570986655.db2.gz	HCEJLZNHFOCHBE-SFHVURJKSA-N	-1	3	387.417	1.202	50	0		GDAAHM
Cc1ncc(CO)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1[O-]	ZINC000426581298	231243951	/nfs/dbraw/zinc/24/39/51/231243951.db2.gz	QPABHUNPHUEZBA-UHFFFAOYSA-N	-1	3	381.440	1.202	50	0		GDAAHM
COc1cc(CN2CCC[C@@H](C(N)=O)C2)cc(I)c1[O-]	ZINC000016663100	210193304	/nfs/dbraw/zinc/19/33/04/210193304.db2.gz	WVCRFHRSSQHVRG-SNVBAGLBSA-N	-1	3	390.221	1.703	50	0		GDAAHM
CC1=C(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)OCCO1	ZINC000014981485	210137968	/nfs/dbraw/zinc/13/79/68/210137968.db2.gz	HKDWIEPBMQCXHR-CYBMUJFWSA-N	-1	3	386.495	1.543	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(Cl)s1	ZINC000004278445	530535362	/nfs/dbraw/zinc/53/53/62/530535362.db2.gz	OUERRONPKRGQNI-UHFFFAOYSA-N	-1	3	378.793	1.831	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)O[C@H]1CCOC1=O	ZINC000021971371	530571294	/nfs/dbraw/zinc/57/12/94/530571294.db2.gz	UOWHMPVVCQBGCZ-JTQLQIEISA-N	-1	3	382.221	1.521	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1	ZINC000032957377	530610435	/nfs/dbraw/zinc/61/04/35/530610435.db2.gz	RLBSTHBHKMURAB-UHFFFAOYSA-N	-1	3	387.439	1.443	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1	ZINC000032957377	530610437	/nfs/dbraw/zinc/61/04/37/530610437.db2.gz	RLBSTHBHKMURAB-UHFFFAOYSA-N	-1	3	387.439	1.443	50	0		GDAAHM
O=S(=O)([N-][C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Cl	ZINC000037383154	530616443	/nfs/dbraw/zinc/61/64/43/530616443.db2.gz	NKUXADSQFFTSDN-QMMMGPOBSA-N	-1	3	388.692	1.568	50	0		GDAAHM
CC(C)(CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(Br)c1	ZINC000172740862	530616933	/nfs/dbraw/zinc/61/69/33/530616933.db2.gz	KXNGUKOXHIRTKL-UHFFFAOYSA-N	-1	3	381.230	1.116	50	0		GDAAHM
COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O	ZINC000190591476	530933630	/nfs/dbraw/zinc/93/36/30/530933630.db2.gz	VEWSATUKUKMGFJ-ZDUSSCGKSA-N	-1	3	384.454	1.975	50	0		GDAAHM
CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC000012814950	210014854	/nfs/dbraw/zinc/01/48/54/210014854.db2.gz	PAVFZBMHVYLDML-JTQLQIEISA-N	-1	3	379.463	1.864	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)cc1OC	ZINC000012427849	209953556	/nfs/dbraw/zinc/95/35/56/209953556.db2.gz	JCEQIKSJQWUGLO-UHFFFAOYSA-N	-1	3	375.410	1.405	50	0	biogenic,in-vitro	GDAAHM
CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009571131	209281834	/nfs/dbraw/zinc/28/18/34/209281834.db2.gz	XEFZZTYXRYHBMP-UHFFFAOYSA-N	-1	3	377.401	1.679	50	0		GDAAHM
C[C@@H]1Cc2cc(S(=O)(=O)N3CCc4nc[n-]c(=O)c4C3)cc(Cl)c2O1	ZINC000170685865	211667292	/nfs/dbraw/zinc/66/72/92/211667292.db2.gz	VYPOXQZQPVJQPY-SECBINFHSA-N	-1	3	381.841	1.494	50	0		GDAAHM
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1	ZINC000097602526	211366814	/nfs/dbraw/zinc/36/68/14/211366814.db2.gz	DQAFVAOQWIWAIA-AWEZNQCLSA-N	-1	3	381.440	1.163	50	0		GDAAHM
CN1C[C@H]2CN(S(=O)(=O)c3ccc(-c4ccno4)s3)C[C@@]2(C(=O)[O-])C1	ZINC000096152331	211311906	/nfs/dbraw/zinc/31/19/06/211311906.db2.gz	BRVYKPRMOUKFBD-BONVTDFDSA-N	-1	3	383.451	1.040	50	0		GDAAHM
COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cnc[n-]c3=O)C2)c1	ZINC000095503427	211255142	/nfs/dbraw/zinc/25/51/42/211255142.db2.gz	PGNGLXBVMRNAHQ-OAHLLOKOSA-N	-1	3	398.463	1.727	50	0		GDAAHM
Cn1cc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c(-c2ccccc2)n1	ZINC000095384934	211233808	/nfs/dbraw/zinc/23/38/08/211233808.db2.gz	LSNBEZMEYSYGAV-KRWDZBQOSA-N	-1	3	382.464	1.985	50	0		GDAAHM
Cc1noc(C)c1C[N-]S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1	ZINC000095380519	211233241	/nfs/dbraw/zinc/23/32/41/211233241.db2.gz	QWOKNLQUGUINSH-UHFFFAOYSA-N	-1	3	379.438	1.242	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)CCCc3cn[nH]c3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095362821	211225480	/nfs/dbraw/zinc/22/54/80/211225480.db2.gz	RGBOTJXPTVTHMU-MSOLQXFVSA-N	-1	3	391.516	1.062	50	0		GDAAHM
CCn1ccnc1[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000091536998	211194461	/nfs/dbraw/zinc/19/44/61/211194461.db2.gz	USGMGTKCPJEAAC-CYBMUJFWSA-N	-1	3	382.511	1.649	50	0		GDAAHM
CC(C)(C)c1ncc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccn2)c(=O)[n-]1	ZINC000082148226	211161830	/nfs/dbraw/zinc/16/18/30/211161830.db2.gz	FIGXVRCLLWMFRF-INIZCTEOSA-N	-1	3	378.436	1.973	50	0		GDAAHM
CSc1nnc(CC2CCN(Cc3c(CO)cnc(C)c3[O-])CC2)n1C	ZINC000082172160	211164104	/nfs/dbraw/zinc/16/41/04/211164104.db2.gz	QTKBJKSPXFVSBW-UHFFFAOYSA-N	-1	3	377.514	1.893	50	0		GDAAHM
CC(C)=CCN1CCN(C(=O)c2ccc(C)cc2[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072468405	211122427	/nfs/dbraw/zinc/12/24/27/211122427.db2.gz	FOOOQFBLBBASFZ-SJORKVTESA-N	-1	3	378.494	1.590	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)CN1CCN(Cc2cccnc2)CC1	ZINC000071281561	211042700	/nfs/dbraw/zinc/04/27/00/211042700.db2.gz	UWGOHABKQHYTLR-QGZVFWFLSA-N	-1	3	398.463	1.634	50	0		GDAAHM
COC(=O)c1nnsc1[N-]C(=O)COc1ccc2c(C)cc(=O)oc2c1	ZINC000020714451	210356387	/nfs/dbraw/zinc/35/63/87/210356387.db2.gz	NKXVBILZMLMUCA-UHFFFAOYSA-N	-1	3	375.362	1.757	50	0	biogenic	GDAAHM
COc1ccc(S(=O)(=O)[N-]CCCN2CCN(C)CC2)c(Cl)c1Cl	ZINC000020726237	210356757	/nfs/dbraw/zinc/35/67/57/210356757.db2.gz	AYYLNTNIRJQCOH-UHFFFAOYSA-N	-1	3	396.340	1.918	50	0		GDAAHM
Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCC(C(N)=O)CC2)n1	ZINC000039383645	132390900	/nfs/dbraw/zinc/39/09/00/132390900.db2.gz	GKHJISMTDTYSKB-UHFFFAOYSA-N	-1	3	397.483	1.227	50	0		GDAAHM
CN1CC[C@@]2(CCN(c3ncc(C(C)(C)C(=O)[O-])c(N4CCOCC4)n3)C2)C1	ZINC000096149763	136184449	/nfs/dbraw/zinc/18/44/49/136184449.db2.gz	WXFJBSJYBPQVBO-HXUWFJFHSA-N	-1	3	389.500	1.207	50	0		GDAAHM
CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)c1	ZINC000174970333	534918572	/nfs/dbraw/zinc/91/85/72/534918572.db2.gz	NPGAUCNAGOOCJT-UHFFFAOYSA-N	-1	3	379.486	1.249	50	0		GDAAHM
CCN(C)c1ccnc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1	ZINC000095391861	535765413	/nfs/dbraw/zinc/76/54/13/535765413.db2.gz	IYGVDDDFNBRJNZ-SJORKVTESA-N	-1	3	390.532	1.240	50	0		GDAAHM
COc1cccc(NC(=O)CN(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000011598060	570233696	/nfs/dbraw/zinc/23/36/96/570233696.db2.gz	STLBDGIAKWXMMT-UHFFFAOYSA-N	-1	3	391.449	1.777	50	0		GDAAHM
Nc1nc2[n-]c(-c3cc4ccccc4o3)c(-c3c(N)[nH]c(N)nc3=O)c2c(=O)[nH]1	ZINC000012360308	570391060	/nfs/dbraw/zinc/39/10/60/570391060.db2.gz	HVDLNFZSTOCDNW-UHFFFAOYSA-N	-1	3	390.363	1.161	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCCO4)cnc21	ZINC000025031787	570403325	/nfs/dbraw/zinc/40/33/25/570403325.db2.gz	ZYPDOLKHWROZEP-UHFFFAOYSA-N	-1	3	396.403	1.908	50	0		GDAAHM
C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000027373944	570433767	/nfs/dbraw/zinc/43/37/67/570433767.db2.gz	FSWJBKDRGNTAEV-LBPRGKRZSA-N	-1	3	385.472	1.637	50	0		GDAAHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000248099539	570439927	/nfs/dbraw/zinc/43/99/27/570439927.db2.gz	ZVQIFFJMQKOYTJ-VIQHNZTISA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1	ZINC000057478138	570702333	/nfs/dbraw/zinc/70/23/33/570702333.db2.gz	IVIYARYKNIWFIL-UHFFFAOYSA-N	-1	3	378.454	1.406	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1	ZINC000057478138	570702336	/nfs/dbraw/zinc/70/23/36/570702336.db2.gz	IVIYARYKNIWFIL-UHFFFAOYSA-N	-1	3	378.454	1.406	50	0		GDAAHM
Nc1nc([O-])c([C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)s1	ZINC000101477761	570824363	/nfs/dbraw/zinc/82/43/63/570824363.db2.gz	LYDWKMCIKMQRKP-LINPMLQXSA-N	-1	3	379.441	1.891	50	0		GDAAHM
COc1ccc(CC(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(OC)c1	ZINC000032824312	570838511	/nfs/dbraw/zinc/83/85/11/570838511.db2.gz	KKTXATSAQYDFAQ-FQEVSTJZSA-N	-1	3	383.404	1.940	50	0		GDAAHM
COc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c[n-]c12	ZINC000170600162	570858574	/nfs/dbraw/zinc/85/85/74/570858574.db2.gz	DKJBFIIHTOAUJJ-CQSZACIVSA-N	-1	3	399.447	1.660	50	0		GDAAHM
CCc1[nH]nc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c1C(=O)OC	ZINC000033256046	570863530	/nfs/dbraw/zinc/86/35/30/570863530.db2.gz	RSWVFNAJVZKMAV-UHFFFAOYSA-N	-1	3	376.438	1.761	50	0		GDAAHM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-n2nnc(C(N)=O)n2)cc1	ZINC000070999764	570885470	/nfs/dbraw/zinc/88/54/70/570885470.db2.gz	PEZYWCADKRCCNW-UHFFFAOYSA-N	-1	3	392.828	1.524	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000004790427	570990784	/nfs/dbraw/zinc/99/07/84/570990784.db2.gz	WSWSDVMQUNYBBO-UHFFFAOYSA-N	-1	3	380.372	1.494	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000004790427	570990788	/nfs/dbraw/zinc/99/07/88/570990788.db2.gz	WSWSDVMQUNYBBO-UHFFFAOYSA-N	-1	3	380.372	1.494	50	0		GDAAHM
Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCc3nc(N)cc(=O)[n-]3)c2n1	ZINC000426640607	231247494	/nfs/dbraw/zinc/24/74/94/231247494.db2.gz	ZVRMOUDPODTSMR-UHFFFAOYSA-N	-1	3	381.318	1.107	50	0		GDAAHM
CCOC([O-])=NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O	ZINC000003516672	530534490	/nfs/dbraw/zinc/53/44/90/530534490.db2.gz	XGTCXTLQMJCZLP-HNNXBMFYSA-N	-1	3	398.213	1.489	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O	ZINC000003516672	530534494	/nfs/dbraw/zinc/53/44/94/530534494.db2.gz	XGTCXTLQMJCZLP-HNNXBMFYSA-N	-1	3	398.213	1.489	50	0		GDAAHM
NC(=O)c1ccc(COC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)cc1	ZINC000010568469	530552733	/nfs/dbraw/zinc/55/27/33/530552733.db2.gz	XQIDPRWQRBDLLH-UHFFFAOYSA-N	-1	3	380.447	1.645	50	0		GDAAHM
CCCNC(=O)CN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C	ZINC000032971862	530610199	/nfs/dbraw/zinc/61/01/99/530610199.db2.gz	KWTXZNAIGUOYAJ-AWEZNQCLSA-N	-1	3	375.516	1.036	50	0		GDAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(F)c(F)c1	ZINC000014263901	210114087	/nfs/dbraw/zinc/11/40/87/210114087.db2.gz	HEMKCPYJZORSFO-UHFFFAOYSA-N	-1	3	378.379	1.764	50	0		GDAAHM
CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC000012814947	210014238	/nfs/dbraw/zinc/01/42/38/210014238.db2.gz	PAVFZBMHVYLDML-SNVBAGLBSA-N	-1	3	379.463	1.864	50	0		GDAAHM
O=S(=O)([N-]N1CCOCC1)c1cc(S(=O)(=O)c2ccccc2)cs1	ZINC000001031115	209289776	/nfs/dbraw/zinc/28/97/76/209289776.db2.gz	LSRRRRXTWVZIPP-UHFFFAOYSA-N	-1	3	388.492	1.106	50	0		GDAAHM
O=C(COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1	ZINC000000778626	209264181	/nfs/dbraw/zinc/26/41/81/209264181.db2.gz	GSDRKGUVNIZGCO-UHFFFAOYSA-N	-1	3	394.424	1.864	50	0		GDAAHM
O=C([O-])CCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299769670	212034000	/nfs/dbraw/zinc/03/40/00/212034000.db2.gz	RDGYQOPKUHUPBY-QGZVFWFLSA-N	-1	3	380.416	1.371	50	0		GDAAHM
O=C([O-])[C@@]12CN(C(=O)CSCCN3CCCC3)C[C@@H]1c1ccccc1OC2	ZINC000096165724	211316939	/nfs/dbraw/zinc/31/69/39/211316939.db2.gz	PBCIMVDKIZRCCM-OXQOHEQNSA-N	-1	3	390.505	1.905	50	0		GDAAHM
CN1CCN(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)CC1	ZINC000095508508	211260398	/nfs/dbraw/zinc/26/03/98/211260398.db2.gz	UYPZGZLDEINNBS-CQSZACIVSA-N	-1	3	386.543	1.106	50	0		GDAAHM
C[C@]1(c2cccc(NC(=O)c3cccc(-n4ccnc4)n3)c2)NC(=O)[N-]C1=O	ZINC000095465167	211245774	/nfs/dbraw/zinc/24/57/74/211245774.db2.gz	CNLHIWNKQDJBNS-LJQANCHMSA-N	-1	3	376.376	1.574	50	0		GDAAHM
Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1O	ZINC000091320253	211189383	/nfs/dbraw/zinc/18/93/83/211189383.db2.gz	CUNCCPXAAXYAEO-MSOLQXFVSA-N	-1	3	389.496	1.644	50	0		GDAAHM
COc1ccccc1[C@@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)[C@H]2[C@@H]1N1CCC2CC1	ZINC000072140443	211073910	/nfs/dbraw/zinc/07/39/10/211073910.db2.gz	BUBULEHBLDUMQW-GDIGMMSISA-N	-1	3	396.447	1.187	50	0		GDAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)NCc1cccnc1Oc1ccc(F)c(F)c1	ZINC000067847578	211024580	/nfs/dbraw/zinc/02/45/80/211024580.db2.gz	VAURVYKGOOUSCV-CYBMUJFWSA-N	-1	3	376.319	1.366	50	0		GDAAHM
COc1cc([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc(OC)c1OC	ZINC000040111802	210773205	/nfs/dbraw/zinc/77/32/05/210773205.db2.gz	FNHHPTIFDHMLHT-JTQLQIEISA-N	-1	3	375.425	1.832	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(c2ccccn2)CC1	ZINC000072403004	136169355	/nfs/dbraw/zinc/16/93/55/136169355.db2.gz	RKMNTRJSMGSVQC-HNNXBMFYSA-N	-1	3	384.436	1.639	50	0		GDAAHM
O=c1ccc(-c2ccncc2)nn1CCC[N-]S(=O)(=O)c1cccs1	ZINC000011746729	527485798	/nfs/dbraw/zinc/48/57/98/527485798.db2.gz	NVTHUSONIHMLLC-UHFFFAOYSA-N	-1	3	376.463	1.735	50	0		GDAAHM
C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1n[nH]c(=O)c2ccccc21	ZINC000216234047	570297635	/nfs/dbraw/zinc/29/76/35/570297635.db2.gz	OOURRGRGUQPGIO-LLVKDONJSA-N	-1	3	375.392	1.523	50	0		GDAAHM
C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1n[nH]c(=O)c2ccccc21	ZINC000216234047	570297638	/nfs/dbraw/zinc/29/76/38/570297638.db2.gz	OOURRGRGUQPGIO-LLVKDONJSA-N	-1	3	375.392	1.523	50	0		GDAAHM
CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc(-n4cccn4)cc3)n2)cn1	ZINC000575414762	570305614	/nfs/dbraw/zinc/30/56/14/570305614.db2.gz	PCWKKEKYRDOMLL-UHFFFAOYSA-N	-1	3	399.436	1.617	50	0		GDAAHM
CN1c2cc(F)c([N-]S(=O)(=O)CCC(F)(F)F)cc2N(C)S1(=O)=O	ZINC000575612061	570336648	/nfs/dbraw/zinc/33/66/48/570336648.db2.gz	JXVKRZZOUFGLEI-UHFFFAOYSA-N	-1	3	391.368	1.651	50	0		GDAAHM
Cc1nc(-c2ccc(S(=O)(=O)N3CC(Cn4c([O-])coc4=O)C3)cc2)co1	ZINC000575615223	570353489	/nfs/dbraw/zinc/35/34/89/570353489.db2.gz	CPPCWGOHHUCLLT-UHFFFAOYSA-N	-1	3	391.405	1.249	50	0		GDAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-c1nnn[n-]1	ZINC000220444124	570386485	/nfs/dbraw/zinc/38/64/85/570386485.db2.gz	AVBNSZMDHSKQAU-HUUCEWRRSA-N	-1	3	386.437	1.427	50	0		GDAAHM
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1-c1nn[n-]n1	ZINC000220444124	570386486	/nfs/dbraw/zinc/38/64/86/570386486.db2.gz	AVBNSZMDHSKQAU-HUUCEWRRSA-N	-1	3	386.437	1.427	50	0		GDAAHM
CCOC(=O)c1ccc(N2CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)nc1	ZINC000026140970	570423164	/nfs/dbraw/zinc/42/31/64/570423164.db2.gz	YQOGWWKDWXETAW-AWEZNQCLSA-N	-1	3	387.440	1.704	50	0		GDAAHM
C[C@H]1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C[C@H](C)O1	ZINC000006653579	570520805	/nfs/dbraw/zinc/52/08/05/570520805.db2.gz	WIAMUSPYOUGBOR-STQMWFEESA-N	-1	3	399.476	1.837	50	0		GDAAHM
CCOC(=O)N[C@]([N-]S(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F	ZINC000005332861	570556170	/nfs/dbraw/zinc/55/61/70/570556170.db2.gz	QETQUFMBAIIZNN-ZDUSSCGKSA-N	-1	3	398.359	1.533	50	0		GDAAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1	ZINC000006732884	570557990	/nfs/dbraw/zinc/55/79/90/570557990.db2.gz	VZPZKTUMRYJXBW-UHFFFAOYSA-N	-1	3	389.433	1.437	50	0		GDAAHM
Cc1cccc(OCCc2nnc(NC(=O)C[C@H]3NC(=O)[N-]C3=O)s2)c1	ZINC000055343053	570691679	/nfs/dbraw/zinc/69/16/79/570691679.db2.gz	HPTKFBCIBNLNOK-LLVKDONJSA-N	-1	3	375.410	1.005	50	0		GDAAHM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)c(C)c1	ZINC000006913841	570700932	/nfs/dbraw/zinc/70/09/32/570700932.db2.gz	VYHAVVMDDMJEDI-UHFFFAOYSA-N	-1	3	387.461	1.963	50	0		GDAAHM
C[C@@]1(c2cccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2)NC(=O)[N-]C1=O	ZINC000058981889	570736401	/nfs/dbraw/zinc/73/64/01/570736401.db2.gz	SQSOGJCQLBNXIA-SFHVURJKSA-N	-1	3	387.417	1.397	50	0		GDAAHM
C[C@H]1CN(Cc2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2)C[C@H](C)O1	ZINC000583650664	570804111	/nfs/dbraw/zinc/80/41/11/570804111.db2.gz	KGLXFHLUODZWQV-HOTGVXAUSA-N	-1	3	377.485	1.384	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@@H]1CCCN1c1ccccc1	ZINC000211118127	570969972	/nfs/dbraw/zinc/96/99/72/570969972.db2.gz	RZCKMPZNYFYDRR-INIZCTEOSA-N	-1	3	391.468	1.889	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccccc3Br)c(=O)[n-]c21	ZINC000253536383	645105267	/nfs/dbraw/zinc/10/52/67/645105267.db2.gz	ZXWCICIMLVLXNK-UXBLZVDNSA-N	-1	3	391.181	1.953	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2[nH]c3ccc(Br)cc3c2C1	ZINC000032800701	530609899	/nfs/dbraw/zinc/60/98/99/530609899.db2.gz	FYDYKMYRKOWUPY-ZDUSSCGKSA-N	-1	3	391.225	1.413	50	0		GDAAHM
Cn1c(=O)n(CC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1-c1ccccc1	ZINC000036708522	530614624	/nfs/dbraw/zinc/61/46/24/530614624.db2.gz	XLYIWXMZQJICFC-UHFFFAOYSA-N	-1	3	398.897	1.942	50	0		GDAAHM
COc1cc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)cc2c1OCCO2	ZINC000014129161	210105557	/nfs/dbraw/zinc/10/55/57/210105557.db2.gz	ZJQXDNQUNBGWOG-UHFFFAOYSA-N	-1	3	389.408	1.612	50	0		GDAAHM
COc1ccsc1S(=O)(=O)[N-][C@H](C)Cn1ncc2ccccc2c1=O	ZINC000120859883	530946610	/nfs/dbraw/zinc/94/66/10/530946610.db2.gz	VXPGYCWVDDYIEY-LLVKDONJSA-N	-1	3	379.463	1.834	50	0		GDAAHM
COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CCN1CCC[C@H](CO)C1	ZINC000670460673	531833267	/nfs/dbraw/zinc/83/32/67/531833267.db2.gz	YWPSKCQBCNWGHL-NSHDSACASA-N	-1	3	397.324	1.985	50	0		GDAAHM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)s1	ZINC000670455609	531833843	/nfs/dbraw/zinc/83/38/43/531833843.db2.gz	LRWMCOUGEDWWDD-JTQLQIEISA-N	-1	3	376.481	1.485	50	0		GDAAHM
CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(SC)cc3)C[C@]2(C(=O)[O-])C1	ZINC000096137862	211306244	/nfs/dbraw/zinc/30/62/44/211306244.db2.gz	XXKZPGCSWSAXHW-YOEHRIQHSA-N	-1	3	384.523	1.577	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)on1	ZINC000095468866	211246061	/nfs/dbraw/zinc/24/60/61/211246061.db2.gz	KAUDUDXTZURYNR-CRAIPNDOSA-N	-1	3	386.452	1.842	50	0		GDAAHM
O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095379784	211232432	/nfs/dbraw/zinc/23/24/32/211232432.db2.gz	PFRSRMGOCTZAQK-UHFFFAOYSA-N	-1	3	376.376	1.458	50	0		GDAAHM
COc1ccc([C@@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1	ZINC000095362930	211225365	/nfs/dbraw/zinc/22/53/65/211225365.db2.gz	HYYILTFJAWSNMC-INIZCTEOSA-N	-1	3	376.457	1.022	50	0		GDAAHM
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091780840	211205815	/nfs/dbraw/zinc/20/58/15/211205815.db2.gz	BAAVOCYDAYRWJZ-UHFFFAOYSA-N	-1	3	382.428	1.086	50	0		GDAAHM
Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C)[n-]c2n[nH]c(=O)c1-2	ZINC000091445252	211192914	/nfs/dbraw/zinc/19/29/14/211192914.db2.gz	MQHIEXNVGJCISL-UHFFFAOYSA-N	-1	3	381.440	1.314	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c(=O)[n-]1	ZINC000082106162	211159253	/nfs/dbraw/zinc/15/92/53/211159253.db2.gz	YQBLCNWDDYNZMT-UHFFFAOYSA-N	-1	3	381.436	1.355	50	0		GDAAHM
CN(CCc1ccccn1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067974248	211030642	/nfs/dbraw/zinc/03/06/42/211030642.db2.gz	SDTXBOPYJDVSEK-UHFFFAOYSA-N	-1	3	381.479	1.350	50	0		GDAAHM
CC[C@@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2)c1cccnc1	ZINC000067773125	211021549	/nfs/dbraw/zinc/02/15/49/211021549.db2.gz	DHBFHGKYCLSDDX-GFCCVEGCSA-N	-1	3	381.479	1.917	50	0		GDAAHM
CCN(Cc1cnn(C)c1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067447217	211010610	/nfs/dbraw/zinc/01/06/10/211010610.db2.gz	NCFBCFAALMZSQM-UHFFFAOYSA-N	-1	3	384.483	1.036	50	0		GDAAHM
Cc1ccc(-c2ccnc(N3CCN(c4cc(=O)[n-]c(N)n4)CC3)n2)c(C)n1	ZINC000071763372	136166358	/nfs/dbraw/zinc/16/63/58/136166358.db2.gz	UGHWEGFISVDTNQ-UHFFFAOYSA-N	-1	3	378.440	1.148	50	0		GDAAHM
C[C@H]1Oc2ccc(NC(=O)N3CCc4nc[n-]c(=O)c4CC3)cc2N(C)C1=O	ZINC000096147960	136184415	/nfs/dbraw/zinc/18/44/15/136184415.db2.gz	LUDMLLXXTQMVTI-LLVKDONJSA-N	-1	3	383.408	1.146	50	0		GDAAHM
O=C(c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)N1C[C@@H](CO)[C@H](CO)C1	ZINC000426422015	534677824	/nfs/dbraw/zinc/67/78/24/534677824.db2.gz	QTKABLUEAXUSDL-ROUUACIJSA-N	-1	3	379.420	1.207	50	0		GDAAHM
O=C(c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)N1C[C@@H](CO)[C@H](CO)C1	ZINC000426422015	534677830	/nfs/dbraw/zinc/67/78/30/534677830.db2.gz	QTKABLUEAXUSDL-ROUUACIJSA-N	-1	3	379.420	1.207	50	0		GDAAHM
Cc1ccc(CNC(=O)CCC[N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000003665277	570349929	/nfs/dbraw/zinc/34/99/29/570349929.db2.gz	OZCSZTCQGKEXAX-UHFFFAOYSA-N	-1	3	388.449	1.906	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(=O)[n-]1	ZINC000221233116	570392242	/nfs/dbraw/zinc/39/22/42/570392242.db2.gz	YMEQIMGFCVMDFT-SJORKVTESA-N	-1	3	375.400	1.421	50	0		GDAAHM
C[C@H](OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000245264207	570435095	/nfs/dbraw/zinc/43/50/95/570435095.db2.gz	CARCXFQVBQZZNB-DVOMOZLQSA-N	-1	3	387.436	1.316	50	0		GDAAHM
C[C@@H]1OC(C)(C)O[C@H]1[C@H]1CNc2nc(N)[n-]c(=O)c2N1C(=O)c1cccnc1	ZINC000253623273	570446102	/nfs/dbraw/zinc/44/61/02/570446102.db2.gz	PRBIBKGAXKRAAU-UFGOTCBOSA-N	-1	3	386.412	1.140	50	0		GDAAHM
O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(O)CC3)cc2)[n-]1	ZINC000048140040	570655781	/nfs/dbraw/zinc/65/57/81/570655781.db2.gz	NSKWPPLMPNGQIQ-UHFFFAOYSA-N	-1	3	379.464	1.833	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1	ZINC000012627653	570691966	/nfs/dbraw/zinc/69/19/66/570691966.db2.gz	BFXQLAGCQIISQS-LLVKDONJSA-N	-1	3	391.453	1.714	50	0		GDAAHM
COc1cccc2c1OCCCN(CCC(=O)N1CCC(C(=O)[O-])CC1)C2	ZINC000244852753	570697188	/nfs/dbraw/zinc/69/71/88/570697188.db2.gz	UXZNUSZCGPJIQG-UHFFFAOYSA-N	-1	3	376.453	1.993	50	0		GDAAHM
C[C@]1(c2cccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2)NC(=O)[N-]C1=O	ZINC000058981894	570736968	/nfs/dbraw/zinc/73/69/68/570736968.db2.gz	SQSOGJCQLBNXIA-GOSISDBHSA-N	-1	3	387.417	1.397	50	0		GDAAHM
C[C@H](NC(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1	ZINC000003502407	570873893	/nfs/dbraw/zinc/87/38/93/570873893.db2.gz	BVPKGNSZZUTTDT-ZDUSSCGKSA-N	-1	3	381.388	1.110	50	0		GDAAHM
CCCCn1c(=O)[nH]c([O-])c([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)c1=O	ZINC000017016715	570923921	/nfs/dbraw/zinc/92/39/21/570923921.db2.gz	NTMIXDMSQAOVIO-KRWDZBQOSA-N	-1	3	384.436	1.767	50	0	biogenic	GDAAHM
CCCCn1c([O-])c([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)c(=O)[nH]c1=O	ZINC000017016715	570923926	/nfs/dbraw/zinc/92/39/26/570923926.db2.gz	NTMIXDMSQAOVIO-KRWDZBQOSA-N	-1	3	384.436	1.767	50	0	biogenic	GDAAHM
CCOc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Cl)c1[O-]	ZINC000254845034	645105937	/nfs/dbraw/zinc/10/59/37/645105937.db2.gz	KHXVHMTXMBTDKT-UHFFFAOYSA-N	-1	3	386.905	1.575	50	0		GDAAHM
Cn1c(=O)n(CC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1-c1ccccn1	ZINC000038532697	530617792	/nfs/dbraw/zinc/61/77/92/530617792.db2.gz	ZUICXGCLGWAFAP-UHFFFAOYSA-N	-1	3	399.885	1.337	50	0		GDAAHM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)N2CCOCC2)c1	ZINC000040071724	530618988	/nfs/dbraw/zinc/61/89/88/530618988.db2.gz	CBCOEXWNBKPYKX-UHFFFAOYSA-N	-1	3	390.889	1.516	50	0		GDAAHM
CC[C@H](C)NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1	ZINC000012810853	210013514	/nfs/dbraw/zinc/01/35/14/210013514.db2.gz	PMEXHCHFCSIENZ-VIFPVBQESA-N	-1	3	389.481	1.699	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1	ZINC000530077957	531386932	/nfs/dbraw/zinc/38/69/32/531386932.db2.gz	XLPZZIQWWKYIAU-ZYHUDNBSSA-N	-1	3	382.467	1.274	50	0		GDAAHM
COCCN1CC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000670450735	531834161	/nfs/dbraw/zinc/83/41/61/531834161.db2.gz	APCWDXGBTPGUFY-NSHDSACASA-N	-1	3	376.862	1.285	50	0		GDAAHM
Cc1c([N-]S(=O)(=O)c2cccc3nonc32)c(=O)n(-c2ccccc2)n1C	ZINC000001033278	209291024	/nfs/dbraw/zinc/29/10/24/209291024.db2.gz	KBFNTOSRILHUQV-UHFFFAOYSA-N	-1	3	385.405	1.821	50	0		GDAAHM
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2c(nc(N)[n-]c2=O)C1	ZINC000299762440	212033632	/nfs/dbraw/zinc/03/36/32/212033632.db2.gz	VGGYUMXBNHJASM-UHFFFAOYSA-N	-1	3	378.436	1.694	50	0		GDAAHM
COCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccco1	ZINC000097105767	211358060	/nfs/dbraw/zinc/35/80/60/211358060.db2.gz	AWKPEWZJEFEYLJ-HNNXBMFYSA-N	-1	3	377.422	1.975	50	0		GDAAHM
O=c1[n-]c(CN(CCO)Cc2cccnc2)nc2c1cnn2-c1ccccc1	ZINC000095964680	211289431	/nfs/dbraw/zinc/28/94/31/211289431.db2.gz	VKCHKGJYAIQTMC-UHFFFAOYSA-N	-1	3	376.420	1.498	50	0		GDAAHM
CCCn1ccnc1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000095519805	211268443	/nfs/dbraw/zinc/26/84/43/211268443.db2.gz	MQEWDPCZGPPUEJ-MSOLQXFVSA-N	-1	3	377.533	1.596	50	0		GDAAHM
O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095373970	211230505	/nfs/dbraw/zinc/23/05/05/211230505.db2.gz	ICOILSPZGZFMKG-UHFFFAOYSA-N	-1	3	393.447	1.532	50	0		GDAAHM
CC(C)c1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cn1	ZINC000091526890	211195372	/nfs/dbraw/zinc/19/53/72/211195372.db2.gz	XJVDNHDLQWVCDN-MOPGFXCFSA-N	-1	3	389.544	1.903	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1	ZINC000091769693	211206573	/nfs/dbraw/zinc/20/65/73/211206573.db2.gz	QBEBVUAUCQGHLT-OAHLLOKOSA-N	-1	3	389.500	1.568	50	0		GDAAHM
Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c(C)n1C	ZINC000091725530	211205685	/nfs/dbraw/zinc/20/56/85/211205685.db2.gz	NEAKYYUMCDWSJH-MJGOQNOKSA-N	-1	3	390.528	1.585	50	0		GDAAHM
Cn1cc(Br)cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1=O	ZINC000084314368	211167733	/nfs/dbraw/zinc/16/77/33/211167733.db2.gz	AZMSMBBBMYMACJ-UHFFFAOYSA-N	-1	3	393.650	1.579	50	0		GDAAHM
CCc1c[nH]nc1[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1	ZINC000077323546	211131110	/nfs/dbraw/zinc/13/11/10/211131110.db2.gz	CBJYULCTGJJCDM-CYBMUJFWSA-N	-1	3	382.511	1.718	50	0		GDAAHM
N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071763645	211060179	/nfs/dbraw/zinc/06/01/79/211060179.db2.gz	RBYDXVLBQHWRIX-SFHVURJKSA-N	-1	3	390.443	1.597	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)NCc1ccccc1)CN1CCN(Cc2ccccn2)CC1	ZINC000071279752	211042281	/nfs/dbraw/zinc/04/22/81/211042281.db2.gz	XBRGULIHSWQCCQ-IBGZPJMESA-N	-1	3	396.491	1.607	50	0		GDAAHM
CC(C)c1ccc(N2CCC([C@]3(c4cccnc4)NC(=O)[N-]C3=O)CC2)nn1	ZINC000067955916	211030936	/nfs/dbraw/zinc/03/09/36/211030936.db2.gz	XEFBTWNYJZRSPG-HXUWFJFHSA-N	-1	3	380.452	1.946	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1	ZINC000067871996	211026872	/nfs/dbraw/zinc/02/68/72/211026872.db2.gz	XSSXQPFOKDMBMJ-UHFFFAOYSA-N	-1	3	385.399	1.474	50	0		GDAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1	ZINC000067855765	211024404	/nfs/dbraw/zinc/02/44/04/211024404.db2.gz	PKJAUTRROVCTOZ-AWEZNQCLSA-N	-1	3	379.420	1.809	50	0		GDAAHM
CCc1c[nH]nc1C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000067757435	211021963	/nfs/dbraw/zinc/02/19/63/211021963.db2.gz	OHNQNAGFXPYQRG-UHFFFAOYSA-N	-1	3	382.511	1.718	50	0		GDAAHM
C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1=O	ZINC000053525576	132441197	/nfs/dbraw/zinc/44/11/97/132441197.db2.gz	XMTXDJNZZCMZGH-LBPRGKRZSA-N	-1	3	378.392	1.431	50	0		GDAAHM
Cn1nc(NC(=O)c2ccc3n[n-]nc3c2)c2c1cccc2N1CCOCC1	ZINC000072421511	136169938	/nfs/dbraw/zinc/16/99/38/136169938.db2.gz	SILDIMOVXCRRGX-UHFFFAOYSA-N	-1	3	377.408	1.934	50	0		GDAAHM
Cc1cccc(N2CCN(CCC(=O)N3CCOC[C@@H]3CC(=O)[O-])CC2)c1	ZINC000072477274	136171253	/nfs/dbraw/zinc/17/12/53/136171253.db2.gz	QBCJGBDBJBYUQJ-SFHVURJKSA-N	-1	3	375.469	1.209	50	0		GDAAHM
CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cnc[n-]c1=O	ZINC000082096434	136173517	/nfs/dbraw/zinc/17/35/17/136173517.db2.gz	AMEJNJMALNMIGL-CQSZACIVSA-N	-1	3	384.436	1.826	50	0		GDAAHM
CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2c[nH]c(=O)cc2[O-])C1	ZINC000092037352	136177529	/nfs/dbraw/zinc/17/75/29/136177529.db2.gz	NPRVEKSVIZOUNH-AWEZNQCLSA-N	-1	3	399.451	1.563	50	0		GDAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1C(=O)OC	ZINC000048991626	570255483	/nfs/dbraw/zinc/25/54/83/570255483.db2.gz	OMSQOZOYBMRPGZ-UHFFFAOYSA-N	-1	3	396.444	1.409	50	0		GDAAHM
Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1F	ZINC000003665265	570350093	/nfs/dbraw/zinc/35/00/93/570350093.db2.gz	BAMWLXZRUUPWQS-UHFFFAOYSA-N	-1	3	378.385	1.977	50	0		GDAAHM
C[C@@H]1OC(C)(C)O[C@@H]1[C@H]1CNc2nc(N)[n-]c(=O)c2N1C(=O)c1cccnc1	ZINC000253623272	570446010	/nfs/dbraw/zinc/44/60/10/570446010.db2.gz	PRBIBKGAXKRAAU-NDMJEZRESA-N	-1	3	386.412	1.140	50	0		GDAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(S(C)(=O)=O)cc1)C2=O	ZINC000006589385	570486053	/nfs/dbraw/zinc/48/60/53/570486053.db2.gz	CMPAIRFXLAULID-UHFFFAOYSA-N	-1	3	379.438	1.236	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1	ZINC000005797095	570691610	/nfs/dbraw/zinc/69/16/10/570691610.db2.gz	OUYMKJDETPEXJA-UHFFFAOYSA-N	-1	3	391.331	1.926	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1	ZINC000005797095	570691614	/nfs/dbraw/zinc/69/16/14/570691614.db2.gz	OUYMKJDETPEXJA-UHFFFAOYSA-N	-1	3	391.331	1.926	50	0		GDAAHM
NC1=C2C(=O)Oc3cc([O-])ccc3[C@@H]2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2S1	ZINC000101408357	570821984	/nfs/dbraw/zinc/82/19/84/570821984.db2.gz	PBQVSGVMZXQOLQ-YCPHGPKFSA-N	-1	3	394.408	1.870	50	0		GDAAHM
O=C(C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O)N1CCOCC1	ZINC000004679750	570825968	/nfs/dbraw/zinc/82/59/68/570825968.db2.gz	RCMBQTDHMIZTQX-MRXNPFEDSA-N	-1	3	378.787	1.924	50	0		GDAAHM
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(=O)[nH]c2N1	ZINC000004070237	570928618	/nfs/dbraw/zinc/92/86/18/570928618.db2.gz	HVNSGGNKZUHLJM-CQSZACIVSA-N	-1	3	385.376	1.575	50	0		GDAAHM
O=C(N[C@H]1CCS(=O)(=O)C1)c1c[n-]c2ccc(OC(F)(F)F)cc2c1=O	ZINC000044918981	570983176	/nfs/dbraw/zinc/98/31/76/570983176.db2.gz	LKHDHROBNHWVSX-QMMMGPOBSA-N	-1	3	390.339	1.344	50	0		GDAAHM
Cc1cc([C@H]2CCCN2C(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)no1	ZINC000426633801	231247618	/nfs/dbraw/zinc/24/76/18/231247618.db2.gz	FYISTKXKGCXIFI-MRXNPFEDSA-N	-1	3	383.408	1.945	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCc1ccc(C(N)=O)cc1	ZINC000016810931	210196705	/nfs/dbraw/zinc/19/67/05/210196705.db2.gz	IAEYQFYOYKNMFB-NSHDSACASA-N	-1	3	380.397	1.335	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(Br)ccc1N(C)C2=O	ZINC000004686456	530536672	/nfs/dbraw/zinc/53/66/72/530536672.db2.gz	NQIAFDSNNYEVSR-CQSZACIVSA-N	-1	3	397.254	1.581	50	0		GDAAHM
NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000006639849	530542104	/nfs/dbraw/zinc/54/21/04/530542104.db2.gz	JOGPERXKJDYDRL-UHFFFAOYSA-N	-1	3	380.369	1.230	50	0		GDAAHM
CCOC(=O)CNC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000012465739	530555689	/nfs/dbraw/zinc/55/56/89/530555689.db2.gz	CSOSKKCCNSTIQT-GFCCVEGCSA-N	-1	3	389.499	1.011	50	0		GDAAHM
CC(C)NC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1	ZINC000032934620	530610346	/nfs/dbraw/zinc/61/03/46/530610346.db2.gz	IGSMPJPKLSOYCQ-UHFFFAOYSA-N	-1	3	391.896	1.746	50	0		GDAAHM
CCN(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000036392407	530614783	/nfs/dbraw/zinc/61/47/83/530614783.db2.gz	NKLSBMRCIJHNLQ-JTQLQIEISA-N	-1	3	376.862	1.662	50	0		GDAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N1	ZINC000054535477	530701556	/nfs/dbraw/zinc/70/15/56/530701556.db2.gz	CHXYXWANSBHPOE-UHFFFAOYSA-N	-1	3	378.237	1.356	50	0		GDAAHM
Cc1cccnc1[C@H](C)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067561136	530777138	/nfs/dbraw/zinc/77/71/38/530777138.db2.gz	NYKDXSHTQYBNFW-JTQLQIEISA-N	-1	3	381.479	1.835	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)NCCc1nc2c(s1)CCCC2	ZINC000263947058	531161949	/nfs/dbraw/zinc/16/19/49/531161949.db2.gz	WDYAHXVOWKZPTN-UHFFFAOYSA-N	-1	3	385.536	1.721	50	0		GDAAHM
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c(C)nc(C)[n-]c1=O	ZINC000012988449	210042902	/nfs/dbraw/zinc/04/29/02/210042902.db2.gz	PFCALQCZISTYQU-UHFFFAOYSA-N	-1	3	381.436	1.605	50	0		GDAAHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2nccn2C)s1	ZINC000272401474	532095676	/nfs/dbraw/zinc/09/56/76/532095676.db2.gz	XGTIXOCQKRIIAV-UHFFFAOYSA-N	-1	3	384.527	1.665	50	0		GDAAHM
CCNC(=O)NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000009052177	209248899	/nfs/dbraw/zinc/24/88/99/209248899.db2.gz	REOLJKUWCUVQBD-JTQLQIEISA-N	-1	3	386.437	1.847	50	0		GDAAHM
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(n2c([O-])coc2=O)CC1	ZINC000244975095	209216003	/nfs/dbraw/zinc/21/60/03/209216003.db2.gz	IBDVMYSYLJXVND-UHFFFAOYSA-N	-1	3	386.383	1.810	50	0		GDAAHM
Cc1cc(=NC(=O)c2ccc3nc(C)c(C)nc3c2)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159298	212042004	/nfs/dbraw/zinc/04/20/04/212042004.db2.gz	VSRZQIRCXKYOBT-OAHLLOKOSA-N	-1	3	399.476	1.785	50	0		GDAAHM
Cn1cccc1[C@@H](C[N-]S(=O)(=O)c1ccccc1F)N1CCN(C)CC1	ZINC000021154878	211740078	/nfs/dbraw/zinc/74/00/78/211740078.db2.gz	KSGPSEUNKCLCIQ-QGZVFWFLSA-N	-1	3	380.489	1.431	50	0		GDAAHM
CSCCN1CCN(C(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)CC1	ZINC000096149410	211309778	/nfs/dbraw/zinc/30/97/78/211309778.db2.gz	LOIJUJPPQKIURZ-UHFFFAOYSA-N	-1	3	379.511	1.735	50	0		GDAAHM
CCOc1ccc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1CO	ZINC000095351996	211222309	/nfs/dbraw/zinc/22/23/09/211222309.db2.gz	BFIFXPSIYZAVDB-INIZCTEOSA-N	-1	3	376.453	1.475	50	0		GDAAHM
Cc1noc(C)c1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000095375314	211229702	/nfs/dbraw/zinc/22/97/02/211229702.db2.gz	XCYHWQWCTKEZPI-CVEARBPZSA-N	-1	3	378.473	1.234	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1	ZINC000091985892	211211614	/nfs/dbraw/zinc/21/16/14/211211614.db2.gz	YVEHBXOYYPNLEL-UHFFFAOYSA-N	-1	3	380.448	1.815	50	0		GDAAHM
Cc1cccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1	ZINC000091943193	211210088	/nfs/dbraw/zinc/21/00/88/211210088.db2.gz	CSQXZFFDZLPVDF-UXHICEINSA-N	-1	3	387.524	1.867	50	0		GDAAHM
CN(C)CCN1C[C@@]2(CCCN(C(=O)CCc3cc(=O)[n-]o3)C2)CCC1=O	ZINC000072418228	211115971	/nfs/dbraw/zinc/11/59/71/211115971.db2.gz	IZHPGUCECLIXLZ-IBGZPJMESA-N	-1	3	378.473	1.106	50	0		GDAAHM
Cc1cc(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)ccc1[O-]	ZINC000072409106	211113369	/nfs/dbraw/zinc/11/33/69/211113369.db2.gz	VOVOFQAAFINZSM-CVEARBPZSA-N	-1	3	394.493	1.197	50	0		GDAAHM
Cc1cccc2nc(CNC(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)cn21	ZINC000072311910	211088638	/nfs/dbraw/zinc/08/86/38/211088638.db2.gz	VRMBPLSFSRKJTJ-FQEVSTJZSA-N	-1	3	377.404	1.627	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c(=O)[n-]1	ZINC000072164505	211079815	/nfs/dbraw/zinc/07/98/15/211079815.db2.gz	NXUJVEIMSRDITD-HNNXBMFYSA-N	-1	3	384.436	1.761	50	0		GDAAHM
Cc1cccnc1CN(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067947928	211031031	/nfs/dbraw/zinc/03/10/31/211031031.db2.gz	XRPOZGQLBRNPCW-UHFFFAOYSA-N	-1	3	381.479	1.616	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@]1(O)CCCN(CC2CCC2)C1=O	ZINC000067975638	211030613	/nfs/dbraw/zinc/03/06/13/211030613.db2.gz	XMYFQQMUCVXEGI-LJQANCHMSA-N	-1	3	390.509	1.982	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)cc(=O)[n-]1	ZINC000067983366	211033561	/nfs/dbraw/zinc/03/35/61/211033561.db2.gz	RZLGTQIQDKQREU-AWEZNQCLSA-N	-1	3	378.436	1.691	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[n-]1	ZINC000067983366	211033563	/nfs/dbraw/zinc/03/35/63/211033563.db2.gz	RZLGTQIQDKQREU-AWEZNQCLSA-N	-1	3	378.436	1.691	50	0		GDAAHM
CCN(CC1CCOCC1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067872930	211026970	/nfs/dbraw/zinc/02/69/70/211026970.db2.gz	CNQVBTWYFYKGIQ-UHFFFAOYSA-N	-1	3	388.511	1.529	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NCCOc1ccccc1)CNCC2	ZINC000067784370	211020392	/nfs/dbraw/zinc/02/03/92/211020392.db2.gz	QRMOAJICVSCHGX-UHFFFAOYSA-N	-1	3	382.463	1.449	50	0		GDAAHM
COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OS(C)(=O)=O	ZINC000020895595	210366020	/nfs/dbraw/zinc/36/60/20/210366020.db2.gz	SDJXRWLTLRJTQS-ZDUSSCGKSA-N	-1	3	387.439	1.035	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000020721056	210358146	/nfs/dbraw/zinc/35/81/46/210358146.db2.gz	JIAZOFXIAAMDNR-CYBMUJFWSA-N	-1	3	393.490	1.196	50	0		GDAAHM
O=c1ccc(-c2ccc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)s2)n[nH]1	ZINC000020574722	210347354	/nfs/dbraw/zinc/34/73/54/210347354.db2.gz	XWKMUYQPAKLNBK-UHFFFAOYSA-N	-1	3	391.430	1.706	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)CN1CCN(c2ccccn2)CC1	ZINC000071279393	136165463	/nfs/dbraw/zinc/16/54/63/136165463.db2.gz	GCPMARQVGCNMOF-OAHLLOKOSA-N	-1	3	384.436	1.639	50	0		GDAAHM
CCCN(Cc1nccn1C)C(=O)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000426521152	528155886	/nfs/dbraw/zinc/15/58/86/528155886.db2.gz	DQZDPFWNHUUPDE-UHFFFAOYSA-N	-1	3	384.440	1.457	50	0		GDAAHM
Cc1nc([C@H]2C[C@H](NS(=O)(=O)c3cccc4c3OCCO4)C2)cc(=O)[n-]1	ZINC000253535592	570733687	/nfs/dbraw/zinc/73/36/87/570733687.db2.gz	HLJNRYOARXXOFL-HAQNSBGRSA-N	-1	3	377.422	1.486	50	0		GDAAHM
O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NC[C@H]1CCCO1	ZINC000004427066	570756315	/nfs/dbraw/zinc/75/63/15/570756315.db2.gz	WHHMIVBXAMIKLS-CYBMUJFWSA-N	-1	3	385.449	1.496	50	0		GDAAHM
O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NC[C@H]1CCCO1	ZINC000004427066	570756319	/nfs/dbraw/zinc/75/63/19/570756319.db2.gz	WHHMIVBXAMIKLS-CYBMUJFWSA-N	-1	3	385.449	1.496	50	0		GDAAHM
C[C@H]1Oc2ccc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)cc2NC1=O	ZINC000007118893	570792736	/nfs/dbraw/zinc/79/27/36/570792736.db2.gz	QQTXSOHXRQSDRA-SNVBAGLBSA-N	-1	3	380.360	1.048	50	0		GDAAHM
O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCCO2	ZINC000004499696	570912230	/nfs/dbraw/zinc/91/22/30/570912230.db2.gz	BBCJBAGJICLITM-GFCCVEGCSA-N	-1	3	392.408	1.681	50	0		GDAAHM
CC(C)c1nc(S(=O)(=O)[N-]CC2CCN(c3ncc(F)cn3)CC2)cn1C	ZINC000252498773	570976872	/nfs/dbraw/zinc/97/68/72/570976872.db2.gz	RKTPRGAFBTWXMT-UHFFFAOYSA-N	-1	3	396.492	1.668	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccccn3)cc(C(C)C)nc21	ZINC000044897428	570981530	/nfs/dbraw/zinc/98/15/30/570981530.db2.gz	TUVJRAQMKSRHIC-UHFFFAOYSA-N	-1	3	381.436	1.943	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CC(=O)Nc1cc(C)ccc1OC	ZINC000012745325	570988585	/nfs/dbraw/zinc/98/85/85/570988585.db2.gz	DEHUXFVJQDLELO-UHFFFAOYSA-N	-1	3	398.462	1.769	50	0		GDAAHM
O=C(Nc1ccc(Br)cc1)c1[n-]cnc1C(=O)N1CCOCC1	ZINC000005387484	530539164	/nfs/dbraw/zinc/53/91/64/530539164.db2.gz	QTNVTKXHURBPCI-UHFFFAOYSA-N	-1	3	379.214	1.897	50	0		GDAAHM
O=C(Nc1ccc(Br)cc1)c1nc[n-]c1C(=O)N1CCOCC1	ZINC000005387484	530539166	/nfs/dbraw/zinc/53/91/66/530539166.db2.gz	QTNVTKXHURBPCI-UHFFFAOYSA-N	-1	3	379.214	1.897	50	0		GDAAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1cccc(Cl)c1	ZINC000007418464	530545775	/nfs/dbraw/zinc/54/57/75/530545775.db2.gz	DIDKAOCSFAQHRR-UHFFFAOYSA-N	-1	3	379.829	1.496	50	0		GDAAHM
CCc1cc(-c2csc(S(=O)(=O)[N-]CCCN3CCOCC3)c2)on1	ZINC000033290285	530612127	/nfs/dbraw/zinc/61/21/27/530612127.db2.gz	YRNOOWJZSODITF-UHFFFAOYSA-N	-1	3	385.511	1.966	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cc(C)ccc1OC	ZINC000012813722	210014787	/nfs/dbraw/zinc/01/47/87/210014787.db2.gz	YSEJHTIPOWHALA-UHFFFAOYSA-N	-1	3	377.422	1.913	50	0		GDAAHM
CCCN1c2ccc(OCC)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000009575949	209834760	/nfs/dbraw/zinc/83/47/60/209834760.db2.gz	GMVRBGZXEDAODN-GOSISDBHSA-N	-1	3	390.465	1.997	50	0		GDAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1	ZINC000003328149	209424688	/nfs/dbraw/zinc/42/46/88/209424688.db2.gz	USXRWJSMQWPIMU-UHFFFAOYSA-N	-1	3	392.861	1.648	50	0		GDAAHM
Cc1cccc(N2CCN(C(=O)Cn3[n-]c(=O)c4ccccc4c3=O)CC2)c1C	ZINC000002656057	209375491	/nfs/dbraw/zinc/37/54/91/209375491.db2.gz	UXARPHVNLPZGBW-UHFFFAOYSA-N	-1	3	392.459	1.655	50	0		GDAAHM
COc1cc(OC)cc(C(=O)[N-]n2cnc3c(cnn3-c3ccccc3)c2=O)c1	ZINC000010251136	209323041	/nfs/dbraw/zinc/32/30/41/209323041.db2.gz	WHUIXIUAVNVPQJ-UHFFFAOYSA-N	-1	3	391.387	1.983	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc2c(c1)OCCO2	ZINC000253472541	209218600	/nfs/dbraw/zinc/21/86/00/209218600.db2.gz	NKNAXIAZQWSOAW-ZDUSSCGKSA-N	-1	3	383.397	1.617	50	0		GDAAHM
O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CCC(n2c([O-])coc2=O)CC1	ZINC000244975195	209215924	/nfs/dbraw/zinc/21/59/24/209215924.db2.gz	IFXZJULNKYFDMT-OAHLLOKOSA-N	-1	3	398.419	1.766	50	0		GDAAHM
O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1	ZINC000097784773	211374590	/nfs/dbraw/zinc/37/45/90/211374590.db2.gz	CWBUHKXESAMYBW-ZDUSSCGKSA-N	-1	3	379.420	1.345	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)c(=O)[n-]1	ZINC000096162229	211313655	/nfs/dbraw/zinc/31/36/55/211313655.db2.gz	LNHSGNNWXAHGSR-UHFFFAOYSA-N	-1	3	377.448	1.759	50	0		GDAAHM
Cc1cccc([C@H](C)C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1	ZINC000095960822	211288945	/nfs/dbraw/zinc/28/89/45/211288945.db2.gz	IAOUTZXDHJWKKO-LBPRGKRZSA-N	-1	3	380.404	1.383	50	0		GDAAHM
Cc1cccc([C@H](C)C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)c1	ZINC000095960822	211288949	/nfs/dbraw/zinc/28/89/49/211288949.db2.gz	IAOUTZXDHJWKKO-LBPRGKRZSA-N	-1	3	380.404	1.383	50	0		GDAAHM
Cc1nonc1CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000095518460	211263687	/nfs/dbraw/zinc/26/36/87/211263687.db2.gz	ZFPGFNHZJGXUBT-LBPRGKRZSA-N	-1	3	384.483	1.199	50	0		GDAAHM
C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)Cc2cc(=O)[n-]c(N)n2)C1	ZINC000095522337	211265866	/nfs/dbraw/zinc/26/58/66/211265866.db2.gz	OLCITZICKQHFKS-HXUWFJFHSA-N	-1	3	384.436	1.495	50	0		GDAAHM
Cc1cccc(NC(=O)CCC2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2)c1	ZINC000095498580	211252550	/nfs/dbraw/zinc/25/25/50/211252550.db2.gz	NUTWLYNLHONMCK-MRXNPFEDSA-N	-1	3	386.452	1.550	50	0		GDAAHM
CCOc1ccccc1[C@H](C(=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1	ZINC000095386907	211235520	/nfs/dbraw/zinc/23/55/20/211235520.db2.gz	XSMVTCRENZTILJ-GOSISDBHSA-N	-1	3	376.453	1.782	50	0		GDAAHM
CCNc1ncc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)[O-])C2)cn1	ZINC000095387236	211233953	/nfs/dbraw/zinc/23/39/53/211233953.db2.gz	VWEMAIIDTWMXQW-OXQOHEQNSA-N	-1	3	384.436	1.980	50	0		GDAAHM
CN(C)c1ccc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cn1	ZINC000091877001	211209450	/nfs/dbraw/zinc/20/94/50/211209450.db2.gz	NJJRXQQDLOGURO-MOPGFXCFSA-N	-1	3	389.544	1.450	50	0		GDAAHM
COc1cccc(-c2n[nH]cc2C(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)c1	ZINC000091695040	211203573	/nfs/dbraw/zinc/20/35/73/211203573.db2.gz	ARQNIWQFOCITTP-UHFFFAOYSA-N	-1	3	379.420	1.718	50	0		GDAAHM
O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21	ZINC000091846980	211207348	/nfs/dbraw/zinc/20/73/48/211207348.db2.gz	DAKRJXVMYLEKRZ-OAHLLOKOSA-N	-1	3	377.404	1.257	50	0		GDAAHM
CC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2C1	ZINC000077340832	211130842	/nfs/dbraw/zinc/13/08/42/211130842.db2.gz	VHXPSJBRCGJXOP-HNNXBMFYSA-N	-1	3	378.454	1.406	50	0		GDAAHM
CN(C)CCN1C[C@]2(CCCN(C(=O)CCc3cc(=O)[n-]o3)C2)CCC1=O	ZINC000072418229	211116100	/nfs/dbraw/zinc/11/61/00/211116100.db2.gz	IZHPGUCECLIXLZ-LJQANCHMSA-N	-1	3	378.473	1.106	50	0		GDAAHM
COCCn1cc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cn1	ZINC000072278454	211084767	/nfs/dbraw/zinc/08/47/67/211084767.db2.gz	PMIQAMCFMVBPAN-UHFFFAOYSA-N	-1	3	387.440	1.661	50	0		GDAAHM
O=C(c1cnc(C2CC2)[n-]c1=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1	ZINC000072145281	211076441	/nfs/dbraw/zinc/07/64/41/211076441.db2.gz	PVVAYZOWHSAKAU-GOSISDBHSA-N	-1	3	378.476	1.963	50	0		GDAAHM
Cn1ccnc1CN1CCC[C@@](O)(C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000072158011	211078191	/nfs/dbraw/zinc/07/81/91/211078191.db2.gz	FQXIESUOJAFVHY-INIZCTEOSA-N	-1	3	384.527	1.177	50	0		GDAAHM
CC(C)[C@H]1CN(Cc2cc(=O)[n-]c(=O)[nH]2)CCC(=O)N1Cc1ccc(F)cc1	ZINC000071707960	211051011	/nfs/dbraw/zinc/05/10/11/211051011.db2.gz	GJVWLYJFMHEHQM-QGZVFWFLSA-N	-1	3	388.443	1.461	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccc(-c2noc(CNC(=O)Cc3ccccc3)n2)cc1	ZINC000021702451	210390053	/nfs/dbraw/zinc/39/00/53/210390053.db2.gz	AUNRZEVLAZDPLU-UHFFFAOYSA-N	-1	3	386.433	1.967	50	0		GDAAHM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1nc(N(C)C)nc(C)c1C)CC2	ZINC000072149808	136167089	/nfs/dbraw/zinc/16/70/89/136167089.db2.gz	DBVVECZSEIEXBW-OAHLLOKOSA-N	-1	3	375.473	1.451	50	0		GDAAHM
O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCC(=O)N1	ZINC000032497785	570217355	/nfs/dbraw/zinc/21/73/55/570217355.db2.gz	WEGGEHRPSRHMPI-OAHLLOKOSA-N	-1	3	377.397	1.844	50	0		GDAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1C(=O)OC	ZINC000048991608	570255540	/nfs/dbraw/zinc/25/55/40/570255540.db2.gz	HDKKZKDEMHXASW-UHFFFAOYSA-N	-1	3	392.481	1.578	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCCc1nc2ccccc2[nH]1	ZINC000022369176	570314552	/nfs/dbraw/zinc/31/45/52/570314552.db2.gz	KWZXMWZVLLJTOL-UHFFFAOYSA-N	-1	3	391.453	1.195	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2ccccn2)CC1	ZINC000061721197	570504094	/nfs/dbraw/zinc/50/40/94/570504094.db2.gz	GYYVLGBOAUGGMX-QGZVFWFLSA-N	-1	3	382.464	1.929	50	0		GDAAHM
Cn1ncc2c1ncc(C(=O)NCC1(CN3CCOCC3)CCCCC1)c2[O-]	ZINC000179540879	570545150	/nfs/dbraw/zinc/54/51/50/570545150.db2.gz	HWTAEVBAYINEQP-UHFFFAOYSA-N	-1	3	387.484	1.686	50	0		GDAAHM
CCN1CCN(c2ncc(-c3cc(=O)[n-]c(N4CCC(C)CC4)n3)c(C)n2)CC1	ZINC000036235748	570561662	/nfs/dbraw/zinc/56/16/62/570561662.db2.gz	DNRYCSDHSAFRFH-UHFFFAOYSA-N	-1	3	397.527	1.914	50	0		GDAAHM
COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000038197764	570579222	/nfs/dbraw/zinc/57/92/22/570579222.db2.gz	XUBOMFCQGDBHNK-JTQLQIEISA-N	-1	3	375.400	1.980	50	0	aggregator,fda	GDAAHM
CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cccnc1	ZINC000032998126	570581468	/nfs/dbraw/zinc/58/14/68/570581468.db2.gz	FDFIXLWJNAUZKY-HNNXBMFYSA-N	-1	3	397.497	1.937	50	0		GDAAHM
O=C(Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1)N1CCOCC1	ZINC000064919878	570591089	/nfs/dbraw/zinc/59/10/89/570591089.db2.gz	PRTAVFVOGKUABB-UHFFFAOYSA-N	-1	3	398.481	1.767	50	0		GDAAHM
CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C	ZINC000036393801	570678315	/nfs/dbraw/zinc/67/83/15/570678315.db2.gz	MRMBAHRLIDKUKB-NSHDSACASA-N	-1	3	395.419	1.402	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCS[C@@H]2COCC[C@@H]21	ZINC000242156004	570688540	/nfs/dbraw/zinc/68/85/40/570688540.db2.gz	WVADLPGBKCEJQJ-DZGCQCFKSA-N	-1	3	391.424	1.220	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCS[C@@H]2COCC[C@@H]21	ZINC000242156004	570688545	/nfs/dbraw/zinc/68/85/45/570688545.db2.gz	WVADLPGBKCEJQJ-DZGCQCFKSA-N	-1	3	391.424	1.220	50	0		GDAAHM
COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cccc(NC(C)=O)c3)C2=O)cc1	ZINC000006970020	570722384	/nfs/dbraw/zinc/72/23/84/570722384.db2.gz	LXNLIVMCLOWAQG-HXUWFJFHSA-N	-1	3	396.403	1.766	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NC[C@H]1COc2ccccc2O1	ZINC000032794816	570814785	/nfs/dbraw/zinc/81/47/85/570814785.db2.gz	YLBQHLYHXFZVRC-NSHDSACASA-N	-1	3	386.433	1.966	50	0		GDAAHM
Nc1nc([O-])c([C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)s1	ZINC000101477762	570824449	/nfs/dbraw/zinc/82/44/49/570824449.db2.gz	LYDWKMCIKMQRKP-PPNKNMQDSA-N	-1	3	379.441	1.891	50	0		GDAAHM
CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000032921836	570933445	/nfs/dbraw/zinc/93/34/45/570933445.db2.gz	FEAVCBXWAMUCPZ-UHFFFAOYSA-N	-1	3	381.498	1.921	50	0		GDAAHM
C[C@]1(c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)NC(=O)[N-]C1=O	ZINC000047167083	570945453	/nfs/dbraw/zinc/94/54/53/570945453.db2.gz	FHVOCOXNPHGDBU-GOSISDBHSA-N	-1	3	387.417	1.397	50	0		GDAAHM
C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000252460249	570960197	/nfs/dbraw/zinc/96/01/97/570960197.db2.gz	CWXMCIPULJJRJO-DZUCGIPZSA-N	-1	3	375.469	1.068	50	0	biogenic	GDAAHM
COc1ccc(NC2=N[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)cc1	ZINC000018227676	210217960	/nfs/dbraw/zinc/21/79/60/210217960.db2.gz	GBTSWMMDHHZRMZ-HNNXBMFYSA-N	-1	3	396.403	1.762	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000017357772	210209065	/nfs/dbraw/zinc/20/90/65/210209065.db2.gz	ZWCSNAXBJZGSFL-UHFFFAOYSA-N	-1	3	393.534	1.761	50	0		GDAAHM
CCOC(=O)N1CCC([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1	ZINC000023261260	530574711	/nfs/dbraw/zinc/57/47/11/530574711.db2.gz	ASICHLRINWHROS-UHFFFAOYSA-N	-1	3	389.499	1.283	50	0		GDAAHM
C[C@H]1Cc2cc(S(=O)(=O)N3CCc4nc[n-]c(=O)c4C3)cc(Cl)c2O1	ZINC000170685869	530587439	/nfs/dbraw/zinc/58/74/39/530587439.db2.gz	VYPOXQZQPVJQPY-VIFPVBQESA-N	-1	3	381.841	1.494	50	0		GDAAHM
O=C(NN1CCOCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000012921408	210030634	/nfs/dbraw/zinc/03/06/34/210030634.db2.gz	YOWQNZWGCDAIAS-UHFFFAOYSA-N	-1	3	379.413	1.604	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1	ZINC000002492560	209366219	/nfs/dbraw/zinc/36/62/19/209366219.db2.gz	WVRQOQJSZFECDT-GFCCVEGCSA-N	-1	3	395.384	1.177	50	0		GDAAHM
C[N-]S(=O)(=O)c1ccc(Br)cc1I	ZINC000001040979	209292992	/nfs/dbraw/zinc/29/29/92/209292992.db2.gz	BXMASBQVHOZOTJ-UHFFFAOYSA-N	-1	3	376.013	1.962	50	0		GDAAHM
CCOc1ccc2c(c1)[C@]1(SC([N-]C(C)=O)=NN1C(C)=O)C(=O)N2CC	ZINC000000806638	209267862	/nfs/dbraw/zinc/26/78/62/209267862.db2.gz	ZHWSCXJXAKEMFP-KRWDZBQOSA-N	-1	3	376.438	1.607	50	0		GDAAHM
O=C1C[C@@H](C[N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2	ZINC000009037450	209247960	/nfs/dbraw/zinc/24/79/60/209247960.db2.gz	DISOLBZTTDUCDL-LBPRGKRZSA-N	-1	3	392.408	1.886	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000226838992	209187903	/nfs/dbraw/zinc/18/79/03/209187903.db2.gz	QIAFVDXKNZOLOR-JSGCOSHPSA-N	-1	3	377.784	1.022	50	0		GDAAHM
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[n-]c(-c2cccs2)n1	ZINC000334161428	209178646	/nfs/dbraw/zinc/17/86/46/209178646.db2.gz	ZJWYOKDJMJVPTE-NSHDSACASA-N	-1	3	382.405	1.613	50	0		GDAAHM
Nc1nc(N2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)cc(=O)[n-]1	ZINC000023366584	209176495	/nfs/dbraw/zinc/17/64/95/209176495.db2.gz	JEYRIOIRZBPBHY-MSOLQXFVSA-N	-1	3	378.436	1.051	50	0		GDAAHM
O=C(NCCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCOc2ccccc2C1	ZINC000095511234	211262270	/nfs/dbraw/zinc/26/22/70/211262270.db2.gz	YLRQQEAYNQCSSW-OAHLLOKOSA-N	-1	3	379.416	1.860	50	0		GDAAHM
CN1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@]12CCC(=O)N(C)CC2	ZINC000095365442	211226511	/nfs/dbraw/zinc/22/65/11/211226511.db2.gz	GHYYHHTWNDOFGS-IBGZPJMESA-N	-1	3	379.888	1.743	50	0		GDAAHM
O=C([O-])[C@@H]1CC(=O)NC12CCN(CCC(=O)N1CCc3ccccc3C1)CC2	ZINC000095366767	211225857	/nfs/dbraw/zinc/22/58/57/211225857.db2.gz	DUDAUMQNDHTPES-KRWDZBQOSA-N	-1	3	385.464	1.017	50	0		GDAAHM
CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(=O)c3ccccc3[n-]1)C2	ZINC000095365621	211224821	/nfs/dbraw/zinc/22/48/21/211224821.db2.gz	IOOQLJVZHUFDHJ-QWHCGFSZSA-N	-1	3	375.450	1.024	50	0		GDAAHM
Cc1nc([C@H]2CCCN(C(=O)Cn3ncc4ccccc4c3=O)C2)cc(=O)[n-]1	ZINC000091690101	211204490	/nfs/dbraw/zinc/20/44/90/211204490.db2.gz	MADLYAOJLQVUFN-HNNXBMFYSA-N	-1	3	379.420	1.194	50	0		GDAAHM
Nc1nc(CC(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)cc(=O)[n-]1	ZINC000091846313	211207841	/nfs/dbraw/zinc/20/78/41/211207841.db2.gz	AWZBMHVAGNTFHN-HNNXBMFYSA-N	-1	3	376.420	1.545	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1	ZINC000072424289	211115946	/nfs/dbraw/zinc/11/59/46/211115946.db2.gz	JZRFIEYLVRCUMP-FQEVSTJZSA-N	-1	3	381.436	1.210	50	0		GDAAHM
CCC[C@@H](C)N1CC2(CCN(C(=O)Cc3cnc(C)[n-]c3=O)CC2)OC1=O	ZINC000072424333	211116759	/nfs/dbraw/zinc/11/67/59/211116759.db2.gz	YFCWWUOTBFKHOR-CYBMUJFWSA-N	-1	3	376.457	1.623	50	0		GDAAHM
COc1ccc(O)c(C(=O)N2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)c1	ZINC000071715186	211051217	/nfs/dbraw/zinc/05/12/17/211051217.db2.gz	HZFGVTIDVVDKAM-UHFFFAOYSA-N	-1	3	378.388	1.745	50	0		GDAAHM
C[C@@H]1CN(C(C)(C)CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)C[C@@H](C)O1	ZINC000021525725	210383780	/nfs/dbraw/zinc/38/37/80/210383780.db2.gz	LGKPZHANFHLMCJ-ZIAGYGMSSA-N	-1	3	388.468	1.106	50	0		GDAAHM
Cc1cc(=O)[n-]c(CNC(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1	ZINC000020999392	210374184	/nfs/dbraw/zinc/37/41/84/210374184.db2.gz	BSNRXKNAHXNFDW-IYBDPMFKSA-N	-1	3	396.491	1.341	50	0		GDAAHM
COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(F)cc1)C3	ZINC000019821167	210299806	/nfs/dbraw/zinc/29/98/06/210299806.db2.gz	LWQSAWBZQWIABO-LBPRGKRZSA-N	-1	3	383.379	1.783	50	0		GDAAHM
C[C@H]1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2c([O-])cccc21	ZINC000170597396	136198763	/nfs/dbraw/zinc/19/87/63/136198763.db2.gz	AXMWTEICYNAPIZ-NSHDSACASA-N	-1	3	380.404	1.492	50	0		GDAAHM
O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1c[n-]c2cc(N3CCOCC3)c(F)cc2c1=O	ZINC000222275349	136204697	/nfs/dbraw/zinc/20/46/97/136204697.db2.gz	FGYISSRKVZRPSP-ONUMYQOESA-N	-1	3	387.411	1.411	50	0		GDAAHM
COc1ccc(N2CCN(C(=O)NCCc3nc(C)cc(=O)[n-]3)[C@@H](C)C2=O)cc1	ZINC000426669050	534008152	/nfs/dbraw/zinc/00/81/52/534008152.db2.gz	NPHAHQXYLZVTLQ-AWEZNQCLSA-N	-1	3	399.451	1.489	50	0		GDAAHM
O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000048236614	570222495	/nfs/dbraw/zinc/22/24/95/570222495.db2.gz	XKGRBCYBHZYYET-UHFFFAOYSA-N	-1	3	376.376	1.768	50	0		GDAAHM
O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000048236614	570222498	/nfs/dbraw/zinc/22/24/98/570222498.db2.gz	XKGRBCYBHZYYET-UHFFFAOYSA-N	-1	3	376.376	1.768	50	0		GDAAHM
O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(CN2C(=O)CCC2=O)cc1	ZINC000048236614	570222502	/nfs/dbraw/zinc/22/25/02/570222502.db2.gz	XKGRBCYBHZYYET-UHFFFAOYSA-N	-1	3	376.376	1.768	50	0		GDAAHM
CCc1cc(N2CCC[C@H](NC(=O)c3nnc4ccccc4c3[O-])C2)ncn1	ZINC000112507652	570253804	/nfs/dbraw/zinc/25/38/04/570253804.db2.gz	BNSRCFFLVFPXTE-AWEZNQCLSA-N	-1	3	378.436	1.674	50	0		GDAAHM
CCOc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccc2nonc21	ZINC000003665269	570349856	/nfs/dbraw/zinc/34/98/56/570349856.db2.gz	HACCZTCLPNOXBX-UHFFFAOYSA-N	-1	3	390.421	1.929	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OCCO)c1ccsc1	ZINC000575621742	570370603	/nfs/dbraw/zinc/37/06/03/570370603.db2.gz	SHLSWYFBXRAWTF-CQSZACIVSA-N	-1	3	375.443	1.924	50	0		GDAAHM
CCOC(=O)[N-]C(=O)C(=CNc1cccc(OC)c1)C(=O)NC(=O)OCC	ZINC000004419730	570374651	/nfs/dbraw/zinc/37/46/51/570374651.db2.gz	DAJSRWWSSQQJAE-UHFFFAOYSA-N	-1	3	379.369	1.536	50	0		GDAAHM
O=S(=O)(CCOc1ccccc1)[N-][C@@H]1CCOC[C@H]1Oc1ccccn1	ZINC000223376457	570462630	/nfs/dbraw/zinc/46/26/30/570462630.db2.gz	HZUUAIVGXDDAGU-IAGOWNOFSA-N	-1	3	378.450	1.616	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(Cc2ccccn2)CC1	ZINC000061721196	570503983	/nfs/dbraw/zinc/50/39/83/570503983.db2.gz	GYYVLGBOAUGGMX-KRWDZBQOSA-N	-1	3	382.464	1.929	50	0		GDAAHM
Nc1nc(N)c(-c2c(-c3ccc(Cl)cc3)[nH]c3nc(N)[nH]c(=O)c32)c(=O)[n-]1	ZINC000006667843	570527199	/nfs/dbraw/zinc/52/71/99/570527199.db2.gz	VHLUOZWIROXBAO-UHFFFAOYSA-N	-1	3	384.787	1.069	50	0		GDAAHM
CCOC(=O)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)cc1	ZINC000012411052	570656149	/nfs/dbraw/zinc/65/61/49/570656149.db2.gz	WRDZCBOZERZYAN-UHFFFAOYSA-N	-1	3	387.421	1.564	50	0	biogenic,in-vitro	GDAAHM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@H]1c1cc2ccccc2[nH]c1=O	ZINC000006907873	570698655	/nfs/dbraw/zinc/69/86/55/570698655.db2.gz	KXELLOKDKIIUAX-AWEZNQCLSA-N	-1	3	394.387	1.299	50	0		GDAAHM
COc1ccc(F)cc1[C@H](NC(=O)Cc1c[nH]c(=O)[n-]c1=O)[C@H]1C[C@@H](O)C1	ZINC000253534864	570733625	/nfs/dbraw/zinc/73/36/25/570733625.db2.gz	MFRDNZCKAIFQHP-RCAYSMOQSA-N	-1	3	377.372	1.206	50	0		GDAAHM
C[C@@H]1Oc2ccc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)cc2NC1=O	ZINC000007118894	570792724	/nfs/dbraw/zinc/79/27/24/570792724.db2.gz	QQTXSOHXRQSDRA-JTQLQIEISA-N	-1	3	380.360	1.048	50	0		GDAAHM
O=S(=O)(N=c1cc[nH]cc1)c1ccccc1S(=O)(=O)[N-]Cc1ccco1	ZINC000408514343	231048152	/nfs/dbraw/zinc/04/81/52/231048152.db2.gz	RGXGXWDEQBKRLB-UHFFFAOYSA-N	-1	3	393.446	1.376	50	0		GDAAHM
CCOC(=O)CNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000017297025	210207859	/nfs/dbraw/zinc/20/78/59/210207859.db2.gz	OACJJPQUUQKWTC-UHFFFAOYSA-N	-1	3	387.421	1.293	50	0		GDAAHM
CSc1nnc(SCC(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)s1	ZINC000016049902	210183626	/nfs/dbraw/zinc/18/36/26/210183626.db2.gz	IZYQDMXEXYYMNX-UHFFFAOYSA-N	-1	3	387.512	1.638	50	0		GDAAHM
COC(=O)c1ccc(COC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1	ZINC000005971507	530540230	/nfs/dbraw/zinc/54/02/30/530540230.db2.gz	SJDUDTQVBZQFHH-UHFFFAOYSA-N	-1	3	383.447	1.947	50	0		GDAAHM
Cc1cc(C(=O)COC(=O)CC[N-]S(=O)(=O)c2cccs2)c(C)n1C	ZINC000005971433	530540359	/nfs/dbraw/zinc/54/03/59/530540359.db2.gz	KNBKGTUXKRZZMM-UHFFFAOYSA-N	-1	3	384.479	1.798	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(F)(F)F	ZINC000012552233	530556993	/nfs/dbraw/zinc/55/69/93/530556993.db2.gz	LXEVDLUUKRFSEK-UHFFFAOYSA-N	-1	3	377.344	1.212	50	0		GDAAHM
COc1cc(CN2CCN(CCO)CC2)cc(I)c1[O-]	ZINC000023281933	530574801	/nfs/dbraw/zinc/57/48/01/530574801.db2.gz	HEJYDTSAEFHWHS-UHFFFAOYSA-N	-1	3	392.237	1.115	50	0		GDAAHM
CCN(CC)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000036392406	530614882	/nfs/dbraw/zinc/61/48/82/530614882.db2.gz	NKLSBMRCIJHNLQ-SNVBAGLBSA-N	-1	3	376.862	1.662	50	0		GDAAHM
O=C(CCc1ccncn1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000192308262	530966575	/nfs/dbraw/zinc/96/65/75/530966575.db2.gz	GWMRCLYNPWTKOF-UHFFFAOYSA-N	-1	3	380.495	1.440	50	0		GDAAHM
O=S(=O)([N-][C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2nsnc21	ZINC000252571986	531091412	/nfs/dbraw/zinc/09/14/12/531091412.db2.gz	YQUMPAUXWNAKJS-JRPNMDOOSA-N	-1	3	376.463	1.877	50	0		GDAAHM
Cc1ccc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2c(N)[nH]c(=O)[n-]c2=O)cc1C	ZINC000013682495	210079863	/nfs/dbraw/zinc/07/98/63/210079863.db2.gz	YRBNFSBPDXXXMY-UHFFFAOYSA-N	-1	3	380.364	1.279	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1ccc(NC(C)=O)cc1	ZINC000012813733	210014281	/nfs/dbraw/zinc/01/42/81/210014281.db2.gz	DALANPNQIUSWOQ-UHFFFAOYSA-N	-1	3	375.406	1.798	50	0		GDAAHM
COc1ccc2nc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)sc2c1	ZINC000002642422	209374699	/nfs/dbraw/zinc/37/46/99/209374699.db2.gz	RRFHDKXNBIRPQE-UHFFFAOYSA-N	-1	3	382.401	1.947	50	0		GDAAHM
O=C([O-])CCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299769667	212033451	/nfs/dbraw/zinc/03/34/51/212033451.db2.gz	RDGYQOPKUHUPBY-KRWDZBQOSA-N	-1	3	380.416	1.371	50	0		GDAAHM
CCOc1cccc(CN2C[C@H]3CN(S(=O)(=O)CC)C[C@@]3(C(=O)[O-])C2)c1	ZINC000096165792	211316957	/nfs/dbraw/zinc/31/69/57/211316957.db2.gz	QUOBXYLJDLIGHN-YJBOKZPZSA-N	-1	3	382.482	1.253	50	0		GDAAHM
CC(C)(C)c1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cc1	ZINC000096179841	211316983	/nfs/dbraw/zinc/31/69/83/211316983.db2.gz	WWQKRSRSDRSDJH-VQIMIIECSA-N	-1	3	380.510	1.762	50	0		GDAAHM
Cc1nn2c(nnc2SCc2nc3cc(Br)cnc3[nH]2)[n-]c1=O	ZINC000096006607	211293513	/nfs/dbraw/zinc/29/35/13/211293513.db2.gz	FSWNYKXHVUOAKQ-UHFFFAOYSA-N	-1	3	393.230	1.859	50	0		GDAAHM
CCCCc1ccc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)s1	ZINC000096136225	211306199	/nfs/dbraw/zinc/30/61/99/211306199.db2.gz	KKUQYOCBYCTEAW-CXAGYDPISA-N	-1	3	386.539	1.869	50	0		GDAAHM
Cc1cccc([C@@H](C)C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1	ZINC000095960821	211287347	/nfs/dbraw/zinc/28/73/47/211287347.db2.gz	IAOUTZXDHJWKKO-GFCCVEGCSA-N	-1	3	380.404	1.383	50	0		GDAAHM
Cc1cccc([C@@H](C)C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)c1	ZINC000095960821	211287351	/nfs/dbraw/zinc/28/73/51/211287351.db2.gz	IAOUTZXDHJWKKO-GFCCVEGCSA-N	-1	3	380.404	1.383	50	0		GDAAHM
NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1	ZINC000095530516	211275943	/nfs/dbraw/zinc/27/59/43/211275943.db2.gz	QJOKGQOKFMPYPU-ZDUSSCGKSA-N	-1	3	379.420	1.230	50	0		GDAAHM
Cc1nonc1CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000095518459	211265473	/nfs/dbraw/zinc/26/54/73/211265473.db2.gz	ZFPGFNHZJGXUBT-GFCCVEGCSA-N	-1	3	384.483	1.199	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cnccc3CO)cc(C(C)C)nc21	ZINC000095451362	211242855	/nfs/dbraw/zinc/24/28/55/211242855.db2.gz	ADXMMHUJOWYYIA-UHFFFAOYSA-N	-1	3	397.435	1.758	50	0		GDAAHM
CCc1ncc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cn1	ZINC000091289608	211189851	/nfs/dbraw/zinc/18/98/51/211189851.db2.gz	VYIMHMJOVMRGTQ-MSOLQXFVSA-N	-1	3	375.517	1.342	50	0		GDAAHM
Cc1nn(C)c2nc(-c3ccncc3)nc(NCCc3nc(C)cc(=O)[n-]3)c12	ZINC000072433606	211118395	/nfs/dbraw/zinc/11/83/95/211118395.db2.gz	CTYFTWSQOSDRPL-UHFFFAOYSA-N	-1	3	376.424	1.780	50	0		GDAAHM
Cc1cccc2nc(CNC(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)cn21	ZINC000072311909	211088846	/nfs/dbraw/zinc/08/88/46/211088846.db2.gz	VRMBPLSFSRKJTJ-HXUWFJFHSA-N	-1	3	377.404	1.627	50	0		GDAAHM
COc1ccc2[n-]cc(C(=O)N3CCc4c(ncnc4N(C)C)C3)c(=O)c2c1	ZINC000071764357	211059624	/nfs/dbraw/zinc/05/96/24/211059624.db2.gz	KDVZBTVEADLPKD-UHFFFAOYSA-N	-1	3	379.420	1.591	50	0		GDAAHM
O=C(c1c[nH]c(=O)c(Cl)c1)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1	ZINC000071752232	211055054	/nfs/dbraw/zinc/05/50/54/211055054.db2.gz	HDLXIFVQUGRONT-UHFFFAOYSA-N	-1	3	383.795	1.372	50	0		GDAAHM
CC(C)[C@@H]1CN(C(=O)c2cc(=O)[n-]c(=O)[nH]2)CCCN1Cc1ccc(F)cc1	ZINC000071753521	211055494	/nfs/dbraw/zinc/05/54/94/211055494.db2.gz	GJEVFPAYSBOGHT-KRWDZBQOSA-N	-1	3	388.443	1.987	50	0		GDAAHM
COc1ccc2cc([C@H]3CN(C(=O)CN4CC(=O)[N-]C4=O)CCO3)ccc2c1	ZINC000071749223	211055538	/nfs/dbraw/zinc/05/55/38/211055538.db2.gz	IITGBPQFTCKWHH-QGZVFWFLSA-N	-1	3	383.404	1.300	50	0		GDAAHM
Cc1noc(C)c1NC(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)[N-]C2=O)CC1	ZINC000067850658	211025025	/nfs/dbraw/zinc/02/50/25/211025025.db2.gz	CAKWAJBLFALCBE-IBGZPJMESA-N	-1	3	398.423	1.665	50	0		GDAAHM
CC(C)N1CCCn2nc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2C1	ZINC000067713827	211016662	/nfs/dbraw/zinc/01/66/62/211016662.db2.gz	UKOVWWLDSIZFQP-UHFFFAOYSA-N	-1	3	380.456	1.607	50	0		GDAAHM
CC(C)N1CCCn2nc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2C1	ZINC000067713827	211016668	/nfs/dbraw/zinc/01/66/68/211016668.db2.gz	UKOVWWLDSIZFQP-UHFFFAOYSA-N	-1	3	380.456	1.607	50	0		GDAAHM
CC(C)Nc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)ncn1	ZINC000095386076	136178660	/nfs/dbraw/zinc/17/86/60/136178660.db2.gz	JOQWOIPHHJCLIK-SJORKVTESA-N	-1	3	390.532	1.604	50	0		GDAAHM
CCOc1ccnc(N2CCN(Cc3nc(C(F)(F)F)cc(=O)[n-]3)CC2)n1	ZINC000089272232	535558326	/nfs/dbraw/zinc/55/83/26/535558326.db2.gz	RJFGGLJHYVQUNM-UHFFFAOYSA-N	-1	3	384.362	1.712	50	0		GDAAHM
CN1CCC[C@H](CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096165421	536387572	/nfs/dbraw/zinc/38/75/72/536387572.db2.gz	MCZHOOKNNNMKJT-CQSZACIVSA-N	-1	3	377.489	1.429	50	0		GDAAHM
O=C(NC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1	ZINC000215108856	570285699	/nfs/dbraw/zinc/28/56/99/570285699.db2.gz	WDWQIGOQWAVLMF-LBPRGKRZSA-N	-1	3	380.388	1.826	50	0		GDAAHM
CCOc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000003665251	570350052	/nfs/dbraw/zinc/35/00/52/570350052.db2.gz	OJCQNEYUCHLLMA-UHFFFAOYSA-N	-1	3	390.421	1.929	50	0		GDAAHM
COCCn1nnc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2c1=O	ZINC000604418637	570362405	/nfs/dbraw/zinc/36/24/05/570362405.db2.gz	PAHRFCGVSYYAAM-UHFFFAOYSA-N	-1	3	391.387	1.532	50	0		GDAAHM
COCCn1nnc2ccc(NC(=O)c3cnc4ccccc4c3[O-])cc2c1=O	ZINC000604418637	570362407	/nfs/dbraw/zinc/36/24/07/570362407.db2.gz	PAHRFCGVSYYAAM-UHFFFAOYSA-N	-1	3	391.387	1.532	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1	ZINC000028086144	570450885	/nfs/dbraw/zinc/45/08/85/570450885.db2.gz	OSJWWNAXQMNUID-UHFFFAOYSA-N	-1	3	378.432	1.447	50	0		GDAAHM
CCOc1ccccc1NC(=O)CSc1nc2c(cnn2CCO)c(=O)[n-]1	ZINC000011027606	570451961	/nfs/dbraw/zinc/45/19/61/570451961.db2.gz	AMRLTVGCMPYJRG-UHFFFAOYSA-N	-1	3	389.437	1.241	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCNC(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000206633934	570632685	/nfs/dbraw/zinc/63/26/85/570632685.db2.gz	JHNRDWGBLWBGTF-UHFFFAOYSA-N	-1	3	391.375	1.539	50	0		GDAAHM
COc1cc(CN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C2CC2)ccc1OC(F)F	ZINC000032781309	570809222	/nfs/dbraw/zinc/80/92/22/570809222.db2.gz	YYTVNYNYAYJCAC-LBPRGKRZSA-N	-1	3	397.378	1.776	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O	ZINC000007411107	570838538	/nfs/dbraw/zinc/83/85/38/570838538.db2.gz	RSNXEMXJYXVXNG-SFHVURJKSA-N	-1	3	393.465	1.306	50	0		GDAAHM
CCOc1ccccc1-n1c(=O)[nH]c([O-])c([C@H]2NCCc3ccccc32)c1=O	ZINC000017056627	570925638	/nfs/dbraw/zinc/92/56/38/570925638.db2.gz	CALFPCALQUVTCN-SFHVURJKSA-N	-1	3	379.416	1.865	50	0	biogenic	GDAAHM
CCOc1ccccc1-n1c([O-])c([C@H]2NCCc3ccccc32)c(=O)[nH]c1=O	ZINC000017056627	570925641	/nfs/dbraw/zinc/92/56/41/570925641.db2.gz	CALFPCALQUVTCN-SFHVURJKSA-N	-1	3	379.416	1.865	50	0	biogenic	GDAAHM
CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCCNC2=O	ZINC000585138569	570950981	/nfs/dbraw/zinc/95/09/81/570950981.db2.gz	CNDWSVAEDKSDKG-LDYMZIIASA-N	-1	3	389.271	1.648	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C1CCN(c2cnsn2)CC1	ZINC000585148998	570982624	/nfs/dbraw/zinc/98/26/24/570982624.db2.gz	WDDRGXIJJFTGDF-UHFFFAOYSA-N	-1	3	388.496	1.334	50	0		GDAAHM
COc1ccc(Cl)cc1N1C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC1=O	ZINC000299748689	967908182	/nfs/dbraw/zinc/90/81/82/967908182.db2.gz	HWAGBJAFWONHAY-GFCCVEGCSA-N	-1	3	397.859	1.176	50	0		GDAAHM
NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000008429259	530549765	/nfs/dbraw/zinc/54/97/65/530549765.db2.gz	UKQWGRHSNHKALL-NSHDSACASA-N	-1	3	385.873	1.118	50	0		GDAAHM
Cc1nc(NC(=O)CSc2cnnc(=O)[n-]2)sc1C(=O)OCC(C)C	ZINC000011905868	530554922	/nfs/dbraw/zinc/55/49/22/530554922.db2.gz	ZSSAPIPPILJCMG-UHFFFAOYSA-N	-1	3	383.455	1.886	50	0		GDAAHM
Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1	ZINC000011858105	530555025	/nfs/dbraw/zinc/55/50/25/530555025.db2.gz	YQFLJJDVDGEGDS-UHFFFAOYSA-N	-1	3	380.447	1.862	50	0		GDAAHM
COc1ccc(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1OC	ZINC000036714346	530614909	/nfs/dbraw/zinc/61/49/09/530614909.db2.gz	FOHCTANWNGXBFD-UHFFFAOYSA-N	-1	3	384.479	1.750	50	0		GDAAHM
NC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000014121332	210104378	/nfs/dbraw/zinc/10/43/78/210104378.db2.gz	YFOKGNUOFQIKTA-UHFFFAOYSA-N	-1	3	386.065	1.365	50	0		GDAAHM
O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)[N-]Cc1cc(-c2ccccc2)no1	ZINC000253427164	531091931	/nfs/dbraw/zinc/09/19/31/531091931.db2.gz	DOKOUHXWQGTBBI-CYBMUJFWSA-N	-1	3	384.479	1.586	50	0		GDAAHM
COCCCNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccco1	ZINC000002938538	209399307	/nfs/dbraw/zinc/39/93/07/209399307.db2.gz	JRQYVFKWAMGRBI-INIZCTEOSA-N	-1	3	396.465	1.851	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1	ZINC000002624054	209371297	/nfs/dbraw/zinc/37/12/97/209371297.db2.gz	KUJSNOUHYLMCRC-UHFFFAOYSA-N	-1	3	380.404	1.165	50	0		GDAAHM
CNC(=O)COC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl	ZINC000002632346	209373090	/nfs/dbraw/zinc/37/30/90/209373090.db2.gz	RRHWJCJYVXFRGH-UHFFFAOYSA-N	-1	3	397.280	1.831	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccc2nsnc21)NCCc1ccccc1	ZINC000002350494	209358137	/nfs/dbraw/zinc/35/81/37/209358137.db2.gz	JQVNJSBBNDCSCS-UHFFFAOYSA-N	-1	3	376.463	1.329	50	0		GDAAHM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1	ZINC000001095631	209299938	/nfs/dbraw/zinc/29/99/38/209299938.db2.gz	SRFXMPFBHNKAKS-UHFFFAOYSA-N	-1	3	391.449	1.030	50	0		GDAAHM
CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(OC)cc1	ZINC000004317585	211538829	/nfs/dbraw/zinc/53/88/29/211538829.db2.gz	QQPFTYQZGUKQSR-UHFFFAOYSA-N	-1	3	377.422	1.994	50	0		GDAAHM
CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000095531401	211275846	/nfs/dbraw/zinc/27/58/46/211275846.db2.gz	DXEQHURHSPSITE-MRXNPFEDSA-N	-1	3	387.484	1.936	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)CCc3cccnc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095389541	211236502	/nfs/dbraw/zinc/23/65/02/211236502.db2.gz	YXIOENQSTOPDLK-MOPGFXCFSA-N	-1	3	388.512	1.344	50	0		GDAAHM
C[C@@]1(c2cccc(NC(=O)c3cccc(-n4ccnc4)n3)c2)NC(=O)[N-]C1=O	ZINC000095465166	211245539	/nfs/dbraw/zinc/24/55/39/211245539.db2.gz	CNLHIWNKQDJBNS-IBGZPJMESA-N	-1	3	376.376	1.574	50	0		GDAAHM
Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2C(=O)Cc2c(C)nc(C)[n-]c2=O)C1	ZINC000095357887	211223621	/nfs/dbraw/zinc/22/36/21/211223621.db2.gz	WJGKOTFYNUCUCY-JKSUJKDBSA-N	-1	3	384.484	1.084	50	0		GDAAHM
CC(C)(C)c1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[n-]1	ZINC000091616483	211199471	/nfs/dbraw/zinc/19/94/71/211199471.db2.gz	AIXQLKIUYOKSLA-UHFFFAOYSA-N	-1	3	376.501	1.832	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C[C@H]2CCCO)CC1	ZINC000091563523	211197466	/nfs/dbraw/zinc/19/74/66/211197466.db2.gz	OPJGTHNOIAOKOB-QAPCUYQASA-N	-1	3	395.931	1.896	50	0		GDAAHM
Nc1nc(CC(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)cc(=O)[n-]1	ZINC000091846316	211207548	/nfs/dbraw/zinc/20/75/48/211207548.db2.gz	AWZBMHVAGNTFHN-OAHLLOKOSA-N	-1	3	376.420	1.545	50	0		GDAAHM
Cc1cc(=O)[n-]c([C@@H](C)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)n1	ZINC000084114332	211166737	/nfs/dbraw/zinc/16/67/37/211166737.db2.gz	LYRRCHYOWXNCTN-HUUCEWRRSA-N	-1	3	387.459	1.923	50	0		GDAAHM
COc1ccc(OC)c(CN2CCC3(C[C@@H](C(=O)[O-])N(C(C)=O)C3)CC2)c1	ZINC000082109268	211162678	/nfs/dbraw/zinc/16/26/78/211162678.db2.gz	FUECGPBGKBYFBA-KRWDZBQOSA-N	-1	3	376.453	1.991	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccc2c(c1)OCO2	ZINC000090612616	211038301	/nfs/dbraw/zinc/03/83/01/211038301.db2.gz	IATFVRGUWCOWNW-CYBMUJFWSA-N	-1	3	383.397	1.965	50	0		GDAAHM
CN1[C@@H](c2cccc(F)c2F)[C@@H](C(=O)N2CCC(CO)CC2)C[C@H]1C(=O)[O-]	ZINC000067457742	211009965	/nfs/dbraw/zinc/00/99/65/211009965.db2.gz	QAAAIQWMIQOBQP-QRTARXTBSA-N	-1	3	382.407	1.642	50	0		GDAAHM
O=S(=O)([N-]CCNc1ccc(-n2cccn2)nn1)c1ccc(F)c(F)c1	ZINC000067613188	211012091	/nfs/dbraw/zinc/01/20/91/211012091.db2.gz	VFCFTXZQCHPGPX-UHFFFAOYSA-N	-1	3	380.380	1.331	50	0		GDAAHM
O=C1NC(c2ccccc2)=N[C@@]1([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000020069790	210313989	/nfs/dbraw/zinc/31/39/89/210313989.db2.gz	IQWGQXDBNMOLSF-HNNXBMFYSA-N	-1	3	383.351	1.800	50	0		GDAAHM
CCc1cc(N2CCc3c(nc(-c4ccc(C(N)=O)cc4)[n-]c3=O)C2)ncn1	ZINC000071759090	136166187	/nfs/dbraw/zinc/16/61/87/136166187.db2.gz	WPPNERTZEVPNED-UHFFFAOYSA-N	-1	3	376.420	1.451	50	0		GDAAHM
Cc1cccc(N2CCN(CCC(=O)N3CCOC[C@H]3CC(=O)[O-])CC2)c1	ZINC000072477275	136171320	/nfs/dbraw/zinc/17/13/20/136171320.db2.gz	QBCJGBDBJBYUQJ-GOSISDBHSA-N	-1	3	375.469	1.209	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2)nc(N(C)C)n1	ZINC000575606702	570329803	/nfs/dbraw/zinc/32/98/03/570329803.db2.gz	LCFJHLVOKRHUCW-UHFFFAOYSA-N	-1	3	384.893	1.277	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@]2(C)CC[C@H](C(=O)N(C)C)C2(C)C)n1	ZINC000023153639	570347354	/nfs/dbraw/zinc/34/73/54/570347354.db2.gz	ZYRFFVOZHUONMS-BFUOFWGJSA-N	-1	3	377.489	1.137	50	0		GDAAHM
Cc1nc(C2CCN(C(=O)[C@@H](C)n3cnc4ccccc4c3=O)CC2)cc(=O)[n-]1	ZINC000032592952	570511762	/nfs/dbraw/zinc/51/17/62/570511762.db2.gz	RIHCLJAIPNKQLC-CYBMUJFWSA-N	-1	3	393.447	1.755	50	0		GDAAHM
CCOC(=O)N[C@@]([N-]S(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F	ZINC000005326141	570554277	/nfs/dbraw/zinc/55/42/77/570554277.db2.gz	QETQUFMBAIIZNN-CYBMUJFWSA-N	-1	3	398.359	1.533	50	0		GDAAHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1	ZINC000006732887	570558119	/nfs/dbraw/zinc/55/81/19/570558119.db2.gz	MEBUCOLMOPRZTQ-UHFFFAOYSA-N	-1	3	387.461	1.963	50	0		GDAAHM
CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)CNC(=O)c1cccc([O-])c1	ZINC000225410800	570571200	/nfs/dbraw/zinc/57/12/00/570571200.db2.gz	CAVTUCWQBNTJAG-CYBMUJFWSA-N	-1	3	379.457	1.884	50	0		GDAAHM
O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058264055	570723320	/nfs/dbraw/zinc/72/33/20/570723320.db2.gz	ZSHBVAHZENEPSV-UHFFFAOYSA-N	-1	3	378.388	1.486	50	0		GDAAHM
O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058264055	570723321	/nfs/dbraw/zinc/72/33/21/570723321.db2.gz	ZSHBVAHZENEPSV-UHFFFAOYSA-N	-1	3	378.388	1.486	50	0		GDAAHM
Cc1c(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N)n3)C2)sc2ncn(C)c(=O)c12	ZINC000253535380	570733763	/nfs/dbraw/zinc/73/37/63/570733763.db2.gz	WGLGHWKAXGWLPB-DTORHVGOSA-N	-1	3	386.437	1.057	50	0		GDAAHM
CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)ccc21	ZINC000004411709	570746584	/nfs/dbraw/zinc/74/65/84/570746584.db2.gz	YDLWKGAWHITJCZ-UHFFFAOYSA-N	-1	3	387.461	1.843	50	0		GDAAHM
Cc1cnn(Cc2ccccc2Cl)c1NC(=O)CC[C@H]1NC(=O)[N-]C1=O	ZINC000065375895	570762691	/nfs/dbraw/zinc/76/26/91/570762691.db2.gz	GYAXXVLOYZIMES-CYBMUJFWSA-N	-1	3	375.816	1.820	50	0		GDAAHM
CO[C@@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl)[C@@H]1CCOC1	ZINC000656731483	654051437	/nfs/dbraw/zinc/05/14/37/654051437.db2.gz	MGAWROIETNGANI-YGRLFVJLSA-N	-1	3	387.849	1.109	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000005634810	530539579	/nfs/dbraw/zinc/53/95/79/530539579.db2.gz	TVUHYEQYROIVJT-UHFFFAOYSA-N	-1	3	387.483	1.621	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	ZINC000005634810	530539582	/nfs/dbraw/zinc/53/95/82/530539582.db2.gz	TVUHYEQYROIVJT-UHFFFAOYSA-N	-1	3	387.483	1.621	50	0		GDAAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1	ZINC000007051285	530543524	/nfs/dbraw/zinc/54/35/24/530543524.db2.gz	FQVNYGZFMDRMCF-UHFFFAOYSA-N	-1	3	386.451	1.542	50	0		GDAAHM
O=C([N-]C1=NCCS1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1	ZINC000019630225	530568040	/nfs/dbraw/zinc/56/80/40/530568040.db2.gz	AJRRCYYHTSTGMA-LLVKDONJSA-N	-1	3	378.479	1.067	50	0		GDAAHM
CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCCc2ccccc21	ZINC000029258404	530594326	/nfs/dbraw/zinc/59/43/26/530594326.db2.gz	BPMNHYSFWZKQKA-CQSZACIVSA-N	-1	3	392.253	1.835	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(C[C@@H](O)c3ccccc3Br)c(=O)[n-]c21	ZINC000241644698	531055634	/nfs/dbraw/zinc/05/56/34/531055634.db2.gz	PSTNUZRVCUIBTQ-SNVBAGLBSA-N	-1	3	393.197	1.173	50	0		GDAAHM
COc1ccc(OC)c(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)c1	ZINC000012427846	221192084	/nfs/dbraw/zinc/19/20/84/221192084.db2.gz	DZWYTOFWLBKXJE-UHFFFAOYSA-N	-1	3	375.410	1.405	50	0	biogenic,in-vitro	GDAAHM
C[C@@H](OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)NC1CCCC1	ZINC000012796472	221232489	/nfs/dbraw/zinc/23/24/89/221232489.db2.gz	YINMLZXXQQJVTG-NWDGAFQWSA-N	-1	3	386.445	1.483	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc21	ZINC000012822122	221236778	/nfs/dbraw/zinc/23/67/78/221236778.db2.gz	OONIVZCLADEPED-UHFFFAOYSA-N	-1	3	382.376	1.518	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000012885029	221241083	/nfs/dbraw/zinc/24/10/83/221241083.db2.gz	JZRFCHLCPRWGOK-SNVBAGLBSA-N	-1	3	393.396	1.462	50	0		GDAAHM
Cn1cnc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)c1	ZINC000015868471	221351230	/nfs/dbraw/zinc/35/12/30/221351230.db2.gz	IQHJDBLDIPEPET-UHFFFAOYSA-N	-1	3	396.429	1.142	50	0		GDAAHM
C[C@@]1(c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)NC(=O)[N-]C1=O	ZINC000040110836	132396811	/nfs/dbraw/zinc/39/68/11/132396811.db2.gz	QBEHTZCVCXABOC-FQEVSTJZSA-N	-1	3	394.387	1.105	50	0		GDAAHM
Cc1nc(C)c(C)c(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1	ZINC000091987264	136177422	/nfs/dbraw/zinc/17/74/22/136177422.db2.gz	OHJMVWDKWQXOHA-MSOLQXFVSA-N	-1	3	375.517	1.709	50	0		GDAAHM
C[C@@H](CCn1cccn1)NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067694654	222156292	/nfs/dbraw/zinc/15/62/92/222156292.db2.gz	FTSDUTVAABCGGT-JTQLQIEISA-N	-1	3	384.483	1.046	50	0		GDAAHM
Cc1csc(CCNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)n1	ZINC000067689306	222156638	/nfs/dbraw/zinc/15/66/38/222156638.db2.gz	HYHWBNQQZORFSD-UHFFFAOYSA-N	-1	3	387.508	1.378	50	0		GDAAHM
COc1cc2c(cc1[N-]S(=O)(=O)NCc1ccccc1)n(C)c(=O)n2C	ZINC000072166952	222213922	/nfs/dbraw/zinc/21/39/22/222213922.db2.gz	OIJUJWVDBRJFMU-UHFFFAOYSA-N	-1	3	376.438	1.332	50	0		GDAAHM
COc1cccc(OC)c1CN1CC2(C[C@H]1C(=O)[O-])CCN(C(C)=O)CC2	ZINC000072406922	222255152	/nfs/dbraw/zinc/25/51/52/222255152.db2.gz	ZLIIMHJSHUCXKS-INIZCTEOSA-N	-1	3	376.453	1.991	50	0		GDAAHM
COCc1nc2c(cnn2C)c(NCCn2[n-]c(=O)c3ccccc3c2=O)n1	ZINC000072459056	222262888	/nfs/dbraw/zinc/26/28/88/222262888.db2.gz	WEYFJZUNTJRQCO-UHFFFAOYSA-N	-1	3	381.396	1.037	50	0		GDAAHM
CC(C)Cc1cc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)[nH]n1	ZINC000095500167	222333890	/nfs/dbraw/zinc/33/38/90/222333890.db2.gz	ZNYVKDUJGASOPV-XLIONFOSSA-N	-1	3	391.560	1.911	50	0		GDAAHM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CN1C1CC1	ZINC000079092453	222304201	/nfs/dbraw/zinc/30/42/01/222304201.db2.gz	XCGQTHHKZCWARY-QWRGUYRKSA-N	-1	3	392.930	1.647	50	0		GDAAHM
Cc1cc(=O)c([O-])c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1	ZINC000079493678	222307093	/nfs/dbraw/zinc/30/70/93/222307093.db2.gz	YHFCHYAVJWLNAB-UHFFFAOYSA-N	-1	3	398.868	1.814	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccn(-c2ccncc2)n1	ZINC000095959490	222365758	/nfs/dbraw/zinc/36/57/58/222365758.db2.gz	ZHAZUOTWMHGSMW-NSHDSACASA-N	-1	3	377.451	1.634	50	0		GDAAHM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F	ZINC000096025792	222373025	/nfs/dbraw/zinc/37/30/25/222373025.db2.gz	ACBXROHQHFRKFU-AWEZNQCLSA-N	-1	3	377.388	1.765	50	0		GDAAHM
O=C([O-])[C@]12CN(C(=O)c3ccc4n[n-]nc4c3)C[C@H]1C[N@@H+](C1CCCCC1)C2	ZINC000426545099	534541651	/nfs/dbraw/zinc/54/16/51/534541651.db2.gz	PQYBOMSTLPYCDP-JLTOFOAXSA-N	-1	3	383.452	1.749	50	0		GDAAHM
O=C([O-])[C@]12CN(C(=O)c3ccc4n[n-]nc4c3)C[C@H]1C[N@H+](C1CCCCC1)C2	ZINC000426545099	534541655	/nfs/dbraw/zinc/54/16/55/534541655.db2.gz	PQYBOMSTLPYCDP-JLTOFOAXSA-N	-1	3	383.452	1.749	50	0		GDAAHM
COc1ccc2c(c1)[n-]cc(C(=O)NCc1cccnc1-n1cncn1)c2=O	ZINC000048326244	570237193	/nfs/dbraw/zinc/23/71/93/570237193.db2.gz	IHHYHODEDIHASW-UHFFFAOYSA-N	-1	3	376.376	1.442	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCOC3)c2)no1	ZINC000097346964	570242982	/nfs/dbraw/zinc/24/29/82/570242982.db2.gz	MHAKMDFQKKUGKR-ZDUSSCGKSA-N	-1	3	379.438	1.228	50	0		GDAAHM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100070398	570265738	/nfs/dbraw/zinc/26/57/38/570265738.db2.gz	KPVNJWTUJVZBLZ-AEFFLSMTSA-N	-1	3	393.399	1.993	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3cnc[nH]3)C[C@H]1CN(C(=O)c1ccc3nccnc3c1)C2	ZINC000215046395	570284367	/nfs/dbraw/zinc/28/43/67/570284367.db2.gz	KTAHITOVSPPDOF-XOBRGWDASA-N	-1	3	392.419	1.012	50	0		GDAAHM
CCCN1c2ccc(OC)cc2[C@@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000002452274	570287513	/nfs/dbraw/zinc/28/75/13/570287513.db2.gz	BKQNUHSJPCFLDQ-QGZVFWFLSA-N	-1	3	376.438	1.607	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)O[C@H](C(N)=O)c1ccccc1	ZINC000021442737	570291301	/nfs/dbraw/zinc/29/13/01/570291301.db2.gz	FHGNWFUXAKJRAO-ILKPWURSSA-N	-1	3	388.445	1.735	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccccc1	ZINC000021442735	570291370	/nfs/dbraw/zinc/29/13/70/570291370.db2.gz	FHGNWFUXAKJRAO-YWBMLLQRSA-N	-1	3	388.445	1.735	50	0		GDAAHM
O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)N1CCOCC1	ZINC000022625157	570323830	/nfs/dbraw/zinc/32/38/30/570323830.db2.gz	WXPUBGMBCRKLIK-QGZVFWFLSA-N	-1	3	392.452	1.574	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](c1ccco1)N1CCCC1	ZINC000022751279	570326234	/nfs/dbraw/zinc/32/62/34/570326234.db2.gz	JGOOGFNBLIRLDD-INIZCTEOSA-N	-1	3	382.420	1.648	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cn(-c2cccnc2)nn1	ZINC000575619860	570368758	/nfs/dbraw/zinc/36/87/58/570368758.db2.gz	ZXGDSKJRMIEUBT-UHFFFAOYSA-N	-1	3	379.829	1.803	50	0		GDAAHM
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@@H]3CCCO3)o2)cc1	ZINC000010971676	570407198	/nfs/dbraw/zinc/40/71/98/570407198.db2.gz	TVWBXUAEOWTXMH-AWEZNQCLSA-N	-1	3	392.437	1.956	50	0		GDAAHM
Cc1nc(N)c(CC(=O)NCCc2nc(-c3cccc(Cl)c3)no2)c(=O)[n-]1	ZINC000089497039	570456300	/nfs/dbraw/zinc/45/63/00/570456300.db2.gz	ODONZRQCWJCTKN-UHFFFAOYSA-N	-1	3	388.815	1.265	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3ccc(OC)cc3OC)nc21	ZINC000006549865	570473102	/nfs/dbraw/zinc/47/31/02/570473102.db2.gz	KNJBYSJCHKEDCJ-UHFFFAOYSA-N	-1	3	399.403	1.966	50	0		GDAAHM
CCN1CCN(c2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)CC1	ZINC000035655393	570557368	/nfs/dbraw/zinc/55/73/68/570557368.db2.gz	OHZDQKZVVYYFAI-UHFFFAOYSA-N	-1	3	383.500	1.668	50	0		GDAAHM
CC(C)(O)CO[N-]C(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21	ZINC000241515670	570687039	/nfs/dbraw/zinc/68/70/39/570687039.db2.gz	OGXKSRGFMRDXMB-UHFFFAOYSA-N	-1	3	383.470	1.104	50	0		GDAAHM
Nc1nc([C@H]2C[C@@H](NC(=O)C3(N4CCOCC4)CCCCC3)C2)cc(=O)[n-]1	ZINC000253535425	570733707	/nfs/dbraw/zinc/73/37/07/570733707.db2.gz	PPOLACLJEZANRC-OKILXGFUSA-N	-1	3	375.473	1.162	50	0		GDAAHM
O=C1C[C@H]([N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCCO2	ZINC000004499697	570912200	/nfs/dbraw/zinc/91/22/00/570912200.db2.gz	BBCJBAGJICLITM-LBPRGKRZSA-N	-1	3	392.408	1.681	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccc(Br)cc3)c(=O)[n-]c21	ZINC000585152518	570985855	/nfs/dbraw/zinc/98/58/55/570985855.db2.gz	WZFWCSBCHZAJHG-POHAHGRESA-N	-1	3	391.181	1.541	50	0		GDAAHM
COc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)c([O-])c1	ZINC000091548436	571013860	/nfs/dbraw/zinc/01/38/60/571013860.db2.gz	ALDRMENLSASWEB-UHFFFAOYSA-N	-1	3	384.436	1.660	50	0		GDAAHM
COc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(C)=O)c([O-])c1	ZINC000091548436	571013861	/nfs/dbraw/zinc/01/38/61/571013861.db2.gz	ALDRMENLSASWEB-UHFFFAOYSA-N	-1	3	384.436	1.660	50	0		GDAAHM
CC(C)CN1CC2(CC1=O)CCN(C(=O)c1ccccc1-c1nnn[n-]1)CC2	ZINC000095363584	571057003	/nfs/dbraw/zinc/05/70/03/571057003.db2.gz	GZIBZUNXMLPISD-UHFFFAOYSA-N	-1	3	382.468	1.977	50	0		GDAAHM
CC(C)CN1CC2(CC1=O)CCN(C(=O)c1ccccc1-c1nn[n-]n1)CC2	ZINC000095363584	571057004	/nfs/dbraw/zinc/05/70/04/571057004.db2.gz	GZIBZUNXMLPISD-UHFFFAOYSA-N	-1	3	382.468	1.977	50	0		GDAAHM
Cn1cc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c(-c2ccccc2)n1	ZINC000095384935	571069951	/nfs/dbraw/zinc/06/99/51/571069951.db2.gz	LSNBEZMEYSYGAV-QGZVFWFLSA-N	-1	3	382.464	1.985	50	0		GDAAHM
Cc1nnc([N-]C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1	ZINC000002661371	530532942	/nfs/dbraw/zinc/53/29/42/530532942.db2.gz	HINBYMHJOFSGSY-UHFFFAOYSA-N	-1	3	386.430	1.259	50	0		GDAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCc2[nH]c3ccc(Br)cc3c2C1	ZINC000032800703	530609971	/nfs/dbraw/zinc/60/99/71/530609971.db2.gz	FYDYKMYRKOWUPY-CYBMUJFWSA-N	-1	3	391.225	1.413	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC	ZINC000032854907	530610018	/nfs/dbraw/zinc/61/00/18/530610018.db2.gz	WJGCBSVJQNYCMB-GFCCVEGCSA-N	-1	3	383.447	1.597	50	0		GDAAHM
COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)OC)CCCCC2)cnc1Cl	ZINC000032935912	530610462	/nfs/dbraw/zinc/61/04/62/530610462.db2.gz	CHINBGPOSAZQNJ-UHFFFAOYSA-N	-1	3	390.845	1.676	50	0		GDAAHM
O=c1[n-]c(CN2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccsc21	ZINC000035351266	530613192	/nfs/dbraw/zinc/61/31/92/530613192.db2.gz	SDOFZBTWVXOJQL-UHFFFAOYSA-N	-1	3	396.519	1.553	50	0		GDAAHM
CCCc1nc(C)sc1C(=O)N=c1cc(C)[n-]n1[C@H]1CCS(=O)(=O)C1	ZINC000334159140	222806598	/nfs/dbraw/zinc/80/65/98/222806598.db2.gz	DIMPZYPFLNSAAV-LBPRGKRZSA-N	-1	3	382.511	1.943	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc2c(c1)OCO2	ZINC000008751158	221055376	/nfs/dbraw/zinc/05/53/76/221055376.db2.gz	LGYGBGUPBAUDGQ-UHFFFAOYSA-N	-1	3	398.387	1.678	50	0		GDAAHM
O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000011904487	221134275	/nfs/dbraw/zinc/13/42/75/221134275.db2.gz	XVGCGIOQKFWBAW-UHFFFAOYSA-N	-1	3	384.410	1.693	50	0		GDAAHM
O=S(=O)([N-]C1CCN(S(=O)(=O)N2CCCCC2)CC1)c1cccs1	ZINC000012924112	221246912	/nfs/dbraw/zinc/24/69/12/221246912.db2.gz	MEIWQKFAPFNJPJ-UHFFFAOYSA-N	-1	3	393.556	1.222	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@@H]2C=CCC2)c(=O)[n-]c1=O	ZINC000014633316	221313394	/nfs/dbraw/zinc/31/33/94/221313394.db2.gz	SQIUIQUULRSHFD-OAHLLOKOSA-N	-1	3	398.463	1.655	50	0		GDAAHM
CCN(CC)C(=O)c1cccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000015619229	221337919	/nfs/dbraw/zinc/33/79/19/221337919.db2.gz	HSGFECOKJZVSTR-UHFFFAOYSA-N	-1	3	394.431	1.811	50	0		GDAAHM
CCN1CCN(S(=O)(=O)c2csc(C(=O)[N-]c3cc(C)on3)c2)CC1	ZINC000017070405	221376734	/nfs/dbraw/zinc/37/67/34/221376734.db2.gz	GNBZQBGCEAEMPU-UHFFFAOYSA-N	-1	3	384.483	1.623	50	0		GDAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCN(c2cccc(O)c2)CC1	ZINC000095379327	136178700	/nfs/dbraw/zinc/17/87/00/136178700.db2.gz	GBNKQXSRMQLLTC-UHFFFAOYSA-N	-1	3	380.404	1.411	50	0		GDAAHM
Cc1ccc(-c2ccnc(N3CCC(N[C@@H](C)c4nn[n-]n4)CC3)n2)c(C)n1	ZINC000095516860	136180913	/nfs/dbraw/zinc/18/09/13/136180913.db2.gz	AZUADDICBQHSTF-AWEZNQCLSA-N	-1	3	379.472	1.988	50	0		GDAAHM
Cc1ccc(-c2ccnc(N3CCC(N[C@@H](C)c4nnn[n-]4)CC3)n2)c(C)n1	ZINC000095516860	136180914	/nfs/dbraw/zinc/18/09/14/136180914.db2.gz	AZUADDICBQHSTF-AWEZNQCLSA-N	-1	3	379.472	1.988	50	0		GDAAHM
C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(NS(C)(=O)=O)c1	ZINC000052941413	222007710	/nfs/dbraw/zinc/00/77/10/222007710.db2.gz	USNYEOZOZORJSK-JTQLQIEISA-N	-1	3	378.406	1.983	50	0		GDAAHM
CN(C)c1ncccc1CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O	ZINC000052992755	222007767	/nfs/dbraw/zinc/00/77/67/222007767.db2.gz	TYSRVWJAMAQFJN-UHFFFAOYSA-N	-1	3	379.420	1.035	50	0		GDAAHM
COC(=O)c1sc2[n-]c(CN3CCC(C(=O)OC)CC3)nc(=O)c2c1C	ZINC000058219047	222046185	/nfs/dbraw/zinc/04/61/85/222046185.db2.gz	SEZNSNUSHVAKHZ-UHFFFAOYSA-N	-1	3	379.438	1.465	50	0		GDAAHM
O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1	ZINC000058381033	222050857	/nfs/dbraw/zinc/05/08/57/222050857.db2.gz	KZMGPMSCSYPPNA-UHFFFAOYSA-N	-1	3	377.400	1.832	50	0		GDAAHM
COCCc1noc(-c2nc3c([n-]2)C[C@H](c2cccc(OC)c2)CNC3=O)n1	ZINC000065463209	222131022	/nfs/dbraw/zinc/13/10/22/222131022.db2.gz	KUDYKWACTQDJRL-LBPRGKRZSA-N	-1	3	383.408	1.727	50	0		GDAAHM
COCCc1noc(-c2nc3c([n-]2)C(=O)NC[C@@H](c2cccc(OC)c2)C3)n1	ZINC000065463209	222131026	/nfs/dbraw/zinc/13/10/26/222131026.db2.gz	KUDYKWACTQDJRL-LBPRGKRZSA-N	-1	3	383.408	1.727	50	0		GDAAHM
Cc1c(CN2CCc3nc(C)[n-]c(=O)c3CC2)c(=O)n(-c2ccccc2)n1C	ZINC000067755212	222157103	/nfs/dbraw/zinc/15/71/03/222157103.db2.gz	FIZGKCPHFSWCFG-UHFFFAOYSA-N	-1	3	379.464	1.477	50	0		GDAAHM
Cc1cnn([C@@H](C)CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)c1	ZINC000067742915	222158156	/nfs/dbraw/zinc/15/81/56/222158156.db2.gz	UZYDYUNRVFWCOU-JTQLQIEISA-N	-1	3	384.483	1.136	50	0		GDAAHM
CC(C)[C@@H]1CN(Cc2cc(=O)[n-]c(=O)[nH]2)CCC(=O)N1Cc1ccc(F)cc1	ZINC000071707959	222187565	/nfs/dbraw/zinc/18/75/65/222187565.db2.gz	GJVWLYJFMHEHQM-KRWDZBQOSA-N	-1	3	388.443	1.461	50	0		GDAAHM
O=C(c1c[nH]c(=O)c(Cl)c1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071763486	222196414	/nfs/dbraw/zinc/19/64/14/222196414.db2.gz	CZKGVXLSLLFNAS-UHFFFAOYSA-N	-1	3	382.807	1.977	50	0		GDAAHM
Cc1c(S(=O)(=O)[N-]c2nccn(C)c2=O)cnn1-c1ccc(Cl)cc1	ZINC000095944051	222362466	/nfs/dbraw/zinc/36/24/66/222362466.db2.gz	TZOHACMWAKKRGC-UHFFFAOYSA-N	-1	3	379.829	1.729	50	0		GDAAHM
COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc3c(c2)OCCO3)o1	ZINC000096114765	222382141	/nfs/dbraw/zinc/38/21/41/222382141.db2.gz	BFYIRAFTXAXKBP-CYBMUJFWSA-N	-1	3	376.361	1.958	50	0	biogenic	GDAAHM
CS(=O)(=O)N1C[C@H]2CN(Cc3ccc4cc(O)ccc4c3)C[C@@]2(C(=O)[O-])C1	ZINC000096137468	222386203	/nfs/dbraw/zinc/38/62/03/222386203.db2.gz	BSXWICMMORAHCP-VQIMIIECSA-N	-1	3	390.461	1.323	50	0		GDAAHM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCSCC2)CC1	ZINC000426388162	534527675	/nfs/dbraw/zinc/52/76/75/534527675.db2.gz	NLIZJJKFFHTRNT-KRWDZBQOSA-N	-1	3	377.510	1.905	50	0		GDAAHM
COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)cc1)C3	ZINC000019821197	570222939	/nfs/dbraw/zinc/22/29/39/570222939.db2.gz	WFMTYWBEEBZPKS-CYBMUJFWSA-N	-1	3	395.415	1.653	50	0		GDAAHM
O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1-c1nnn[n-]1	ZINC000097480217	570244694	/nfs/dbraw/zinc/24/46/94/570244694.db2.gz	VBIOBZRBTKIVSL-UHFFFAOYSA-N	-1	3	375.385	1.210	50	0		GDAAHM
O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1-c1nn[n-]n1	ZINC000097480217	570244697	/nfs/dbraw/zinc/24/46/97/570244697.db2.gz	VBIOBZRBTKIVSL-UHFFFAOYSA-N	-1	3	375.385	1.210	50	0		GDAAHM
COc1ccc([C@H](CNC(=O)c2ccc3n[n-]nc3c2)N2CCOCC2)cc1	ZINC000022686447	570373693	/nfs/dbraw/zinc/37/36/93/570373693.db2.gz	SWQBUUIVDNVISK-IBGZPJMESA-N	-1	3	381.436	1.770	50	0		GDAAHM
COC(=O)c1c2c(sc1[N-]C(=O)C(=O)N1CCOCC1)COC(C)(C)C2	ZINC000006662598	570525624	/nfs/dbraw/zinc/52/56/24/570525624.db2.gz	WSPMIRPTEGMRMY-UHFFFAOYSA-N	-1	3	382.438	1.183	50	0		GDAAHM
COCCCNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OC)CC(C)(C)OC2	ZINC000006757126	570574388	/nfs/dbraw/zinc/57/43/88/570574388.db2.gz	FHYITOAATDUNKI-UHFFFAOYSA-N	-1	3	384.454	1.477	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(=O)[n-]1	ZINC000253535619	570733757	/nfs/dbraw/zinc/73/37/57/570733757.db2.gz	JLMYJHHZYPEQKB-GQIGUUNPSA-N	-1	3	383.448	1.905	50	0		GDAAHM
O=C1[N-]C(=O)C(=Cc2c[nH]c(=O)c(-c3ccc(N4CCNCC4)nc3)c2)S1	ZINC000585091610	570738940	/nfs/dbraw/zinc/73/89/40/570738940.db2.gz	YHUKWWWCNSTFHL-ZSOIEALJSA-N	-1	3	383.433	1.583	50	0		GDAAHM
O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)NC[C@@H]1CCCO1	ZINC000004427062	570756622	/nfs/dbraw/zinc/75/66/22/570756622.db2.gz	WHHMIVBXAMIKLS-ZDUSSCGKSA-N	-1	3	385.449	1.496	50	0		GDAAHM
O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)NC[C@@H]1CCCO1	ZINC000004427062	570756623	/nfs/dbraw/zinc/75/66/23/570756623.db2.gz	WHHMIVBXAMIKLS-ZDUSSCGKSA-N	-1	3	385.449	1.496	50	0		GDAAHM
COc1cc(CN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C2CC2)ccc1OC(F)F	ZINC000032781311	570809131	/nfs/dbraw/zinc/80/91/31/570809131.db2.gz	YYTVNYNYAYJCAC-GFCCVEGCSA-N	-1	3	397.378	1.776	50	0		GDAAHM
Cc1cc(=NC(=O)Cc2cc(F)c(F)cc2F)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159141	570876392	/nfs/dbraw/zinc/87/63/92/570876392.db2.gz	DKIPQILQKUQSFN-LLVKDONJSA-N	-1	3	387.383	1.572	50	0		GDAAHM
COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1	ZINC000032900149	570896077	/nfs/dbraw/zinc/89/60/77/570896077.db2.gz	KSZQJVVPVFRXBJ-UHFFFAOYSA-N	-1	3	396.490	1.692	50	0		GDAAHM
CCn1ncc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1C	ZINC000091987301	571039059	/nfs/dbraw/zinc/03/90/59/571039059.db2.gz	SIBVNLFEHIIVDQ-AEFFLSMTSA-N	-1	3	391.516	1.154	50	0		GDAAHM
O=C(NCc1nc(-c2cccnc2)no1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000095378345	571065828	/nfs/dbraw/zinc/06/58/28/571065828.db2.gz	VZCPNFXXOXWWBW-UHFFFAOYSA-N	-1	3	378.348	1.118	50	0		GDAAHM
COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC1=O	ZINC000299748690	967908805	/nfs/dbraw/zinc/90/88/05/967908805.db2.gz	HWAGBJAFWONHAY-LBPRGKRZSA-N	-1	3	397.859	1.176	50	0		GDAAHM
COc1nn(C)cc1C(=O)[N-]c1nnc(SCC(=O)NC(C)(C)C)s1	ZINC000021011417	530569916	/nfs/dbraw/zinc/56/99/16/530569916.db2.gz	PRCUBCKQTLHHJA-UHFFFAOYSA-N	-1	3	384.487	1.539	50	0		GDAAHM
Cc1nccn1-c1cc(NCC[N-]S(=O)(=O)c2cccs2)nc(C)n1	ZINC000035598175	530614159	/nfs/dbraw/zinc/61/41/59/530614159.db2.gz	HZKIIGNORBXTIR-UHFFFAOYSA-N	-1	3	378.483	1.731	50	0		GDAAHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)cc1	ZINC000170613231	530586835	/nfs/dbraw/zinc/58/68/35/530586835.db2.gz	XWJUPOBQKBPMOT-DZGCQCFKSA-N	-1	3	390.527	1.762	50	0		GDAAHM
O=C([C@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000072290651	530806094	/nfs/dbraw/zinc/80/60/94/530806094.db2.gz	IWPWWWRAGDFTIU-MQIPJXDCSA-N	-1	3	378.226	1.363	50	0		GDAAHM
O=C1NC(=O)[C@]2(CCC[C@H]2C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N1	ZINC000089764381	530808578	/nfs/dbraw/zinc/80/85/78/530808578.db2.gz	HYHAGSMUVDWZIW-RMLUDKJBSA-N	-1	3	392.264	1.650	50	0		GDAAHM
Cc1c([O-])nc(CCNC(=O)c2cc(Br)ccc2Cl)[nH]c1=O	ZINC000101825112	530826271	/nfs/dbraw/zinc/82/62/71/530826271.db2.gz	BMFIEEXUYZQADZ-UHFFFAOYSA-N	-1	3	386.633	1.913	50	0		GDAAHM
COc1cccc(C(=O)[N-]n2cnc3c(cnn3-c3ccccc3)c2=O)c1OC	ZINC000010251133	212239222	/nfs/dbraw/zinc/23/92/22/212239222.db2.gz	FUVPLFOPULVQDO-UHFFFAOYSA-N	-1	3	391.387	1.983	50	0		GDAAHM
O=C1C[C@H](C[N-]S(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2	ZINC000009037456	212162580	/nfs/dbraw/zinc/16/25/80/212162580.db2.gz	DISOLBZTTDUCDL-GFCCVEGCSA-N	-1	3	392.408	1.886	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc4cccnc4[nH]c3=O)CC2)n1	ZINC000253537651	212136915	/nfs/dbraw/zinc/13/69/15/212136915.db2.gz	AAIRNMPVAGOOCG-UHFFFAOYSA-N	-1	3	380.408	1.538	50	0		GDAAHM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cc(OC)cc(OC)c3)C2=O)c1	ZINC000007408007	220996421	/nfs/dbraw/zinc/99/64/21/220996421.db2.gz	HLWHJYBDSBYSLJ-HXUWFJFHSA-N	-1	3	399.403	1.824	50	0		GDAAHM
CCNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000007645439	221004643	/nfs/dbraw/zinc/00/46/43/221004643.db2.gz	SPSOIZKXBLWFQD-LBPRGKRZSA-N	-1	3	393.440	1.881	50	0		GDAAHM
Cc1ccc(-n2ncc3c2nc(SCC(=O)NC[C@H]2CCCO2)[n-]c3=O)cc1	ZINC000008013390	221024119	/nfs/dbraw/zinc/02/41/19/221024119.db2.gz	QURWIAPIMXTMJX-CQSZACIVSA-N	-1	3	399.476	1.805	50	0		GDAAHM
COc1ccc(OC)c([C@H](C)NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c1	ZINC000008134257	221027836	/nfs/dbraw/zinc/02/78/36/221027836.db2.gz	COGHLRVJBMSLPR-LBPRGKRZSA-N	-1	3	383.404	1.584	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCc1ccc2c(c1)OCO2	ZINC000007912112	221016122	/nfs/dbraw/zinc/01/61/22/221016122.db2.gz	UXRAOZCFEKQLGT-UHFFFAOYSA-N	-1	3	381.410	1.005	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2c(c1)OCCCO2	ZINC000008921483	221063988	/nfs/dbraw/zinc/06/39/88/221063988.db2.gz	ZZABQAGZMHAPAD-UHFFFAOYSA-N	-1	3	395.437	1.760	50	0		GDAAHM
O=C([N-]n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1	ZINC000009576749	221086739	/nfs/dbraw/zinc/08/67/39/221086739.db2.gz	NIHXAYDSQUXJQW-UHFFFAOYSA-N	-1	3	375.270	1.237	50	0		GDAAHM
O=C(CCN1CCCO1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000011946072	221140457	/nfs/dbraw/zinc/14/04/57/221140457.db2.gz	ARMIWQJHIQEOBI-CQSZACIVSA-N	-1	3	387.527	1.292	50	0		GDAAHM
COC(=O)c1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc(C(=O)OC)c1	ZINC000012607171	221214157	/nfs/dbraw/zinc/21/41/57/221214157.db2.gz	GHMQIQWQUCBRMW-UHFFFAOYSA-N	-1	3	387.392	1.531	50	0		GDAAHM
CS(=O)(=O)[N-]c1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1F	ZINC000012918848	221245802	/nfs/dbraw/zinc/24/58/02/221245802.db2.gz	BRDUZHYHONQKQP-UHFFFAOYSA-N	-1	3	390.396	1.546	50	0		GDAAHM
CC[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1	ZINC000014016692	221296046	/nfs/dbraw/zinc/29/60/46/221296046.db2.gz	IDWAGUDUKSMJSE-NSHDSACASA-N	-1	3	380.242	1.609	50	0		GDAAHM
Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCC(=O)NCC(F)(F)F)cc1	ZINC000014123067	221299666	/nfs/dbraw/zinc/29/96/66/221299666.db2.gz	NCJDIXFLEZXNEM-VOTSOKGWSA-N	-1	3	394.371	1.107	50	0		GDAAHM
COc1ccc(OC)c(NC(=O)CSc2nnc3[n-]c(=O)c(C)nn32)c1	ZINC000015882030	221351408	/nfs/dbraw/zinc/35/14/08/221351408.db2.gz	ZBELEHLNBNHJQP-UHFFFAOYSA-N	-1	3	376.398	1.281	50	0		GDAAHM
O=C([N-]n1cnc2ccccc2c1=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000017849274	221384854	/nfs/dbraw/zinc/38/48/54/221384854.db2.gz	RXDWPKMZTQBEEU-UHFFFAOYSA-N	-1	3	384.417	1.221	50	0		GDAAHM
COc1ccc(NC(=O)CSc2nnc3[n-]c(=O)c(C)nn32)cc1OC	ZINC000016838794	221372222	/nfs/dbraw/zinc/37/22/22/221372222.db2.gz	PRWIETIFSWOENY-UHFFFAOYSA-N	-1	3	376.398	1.281	50	0		GDAAHM
O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1cc2ccccc2nc1N1CCOCC1	ZINC000072421469	136169880	/nfs/dbraw/zinc/16/98/80/136169880.db2.gz	WMYACSLSPPOUBI-LJQANCHMSA-N	-1	3	393.447	1.979	50	0		GDAAHM
Cc1ccc(-c2ccnc(N3CCC(N[C@H](C)c4nn[n-]n4)CC3)n2)c(C)n1	ZINC000095516861	136181064	/nfs/dbraw/zinc/18/10/64/136181064.db2.gz	AZUADDICBQHSTF-CQSZACIVSA-N	-1	3	379.472	1.988	50	0		GDAAHM
Cc1ccc(-c2ccnc(N3CCC(N[C@H](C)c4nnn[n-]4)CC3)n2)c(C)n1	ZINC000095516861	136181065	/nfs/dbraw/zinc/18/10/65/136181065.db2.gz	AZUADDICBQHSTF-CQSZACIVSA-N	-1	3	379.472	1.988	50	0		GDAAHM
C[C@@H]1Oc2ccc(NC(=O)N3CCc4nc[n-]c(=O)c4CC3)cc2N(C)C1=O	ZINC000096147961	136184610	/nfs/dbraw/zinc/18/46/10/136184610.db2.gz	LUDMLLXXTQMVTI-NSHDSACASA-N	-1	3	383.408	1.146	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1F	ZINC000058316148	222049836	/nfs/dbraw/zinc/04/98/36/222049836.db2.gz	YJAVWEAAEQGKFZ-UHFFFAOYSA-N	-1	3	376.331	1.951	50	0		GDAAHM
Cc1nccn1CCCC(=O)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1	ZINC000071422491	222185586	/nfs/dbraw/zinc/18/55/86/222185586.db2.gz	SJXZSZMQVKJXTH-UHFFFAOYSA-N	-1	3	378.436	1.702	50	0		GDAAHM
Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2S(=O)(=O)N(C)C)s1	ZINC000072313150	222224634	/nfs/dbraw/zinc/22/46/34/222224634.db2.gz	HAFPKQJHCFBOTR-UHFFFAOYSA-N	-1	3	389.524	1.489	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)Nc1ccc(O)cc1)CN1CCN(Cc2ccccn2)CC1	ZINC000072406074	222255604	/nfs/dbraw/zinc/25/56/04/222255604.db2.gz	NVDDTYPIYWLRLJ-INIZCTEOSA-N	-1	3	398.463	1.634	50	0		GDAAHM
COc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1[N-]S(C)(=O)=O	ZINC000072411397	222257286	/nfs/dbraw/zinc/25/72/86/222257286.db2.gz	VWSFQTOGGLVBAZ-UHFFFAOYSA-N	-1	3	388.453	1.219	50	0		GDAAHM
CCc1nc(C)c(CC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(=O)[n-]1	ZINC000072463813	222263328	/nfs/dbraw/zinc/26/33/28/222263328.db2.gz	SGWBGIPFRUOHCW-HNNXBMFYSA-N	-1	3	376.501	1.143	50	0		GDAAHM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CN1C1CC1	ZINC000079092464	222303853	/nfs/dbraw/zinc/30/38/53/222303853.db2.gz	XCGQTHHKZCWARY-WDEREUQCSA-N	-1	3	392.930	1.647	50	0		GDAAHM
COc1ccc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)c(OC)c1	ZINC000096179620	222394693	/nfs/dbraw/zinc/39/46/93/222394693.db2.gz	WMIINMDRVDJYHS-LIRRHRJNSA-N	-1	3	377.441	1.204	50	0		GDAAHM
Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCOC3)c2)no1	ZINC000097346973	570242984	/nfs/dbraw/zinc/24/29/84/570242984.db2.gz	MHAKMDFQKKUGKR-CYBMUJFWSA-N	-1	3	379.438	1.228	50	0		GDAAHM
CCOC(=O)c1c(CC)[n-]nc1S(=O)(=O)N1CCN(C2CCCCC2)CC1	ZINC000048991662	570255526	/nfs/dbraw/zinc/25/55/26/570255526.db2.gz	YWDZVAZCLNTRTB-UHFFFAOYSA-N	-1	3	398.529	1.788	50	0		GDAAHM
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)c(F)c2)n1	ZINC000020616437	570272565	/nfs/dbraw/zinc/27/25/65/570272565.db2.gz	RDVOFKONPDDQRG-CYBMUJFWSA-N	-1	3	387.415	1.794	50	0		GDAAHM
Cc1nn(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)c(=O)c2ccccc12	ZINC000024894648	570397969	/nfs/dbraw/zinc/39/79/69/570397969.db2.gz	VESPVFMEYVBOHA-UHFFFAOYSA-N	-1	3	386.433	1.715	50	0		GDAAHM
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc([C@H]3CCCO3)o2)cc1	ZINC000010971681	570407252	/nfs/dbraw/zinc/40/72/52/570407252.db2.gz	TVWBXUAEOWTXMH-CQSZACIVSA-N	-1	3	392.437	1.956	50	0		GDAAHM
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccccc2)n2cc(F)c(=O)[n-]c2=O)cc1	ZINC000035681915	570413361	/nfs/dbraw/zinc/41/33/61/570413361.db2.gz	XGNLLDUTXJRCKU-KRWDZBQOSA-N	-1	3	381.363	1.796	50	0		GDAAHM
CCN(CC)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2	ZINC000006670277	570528624	/nfs/dbraw/zinc/52/86/24/570528624.db2.gz	ATKWYZPNHCVZBH-UHFFFAOYSA-N	-1	3	397.497	1.694	50	0		GDAAHM
Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[n-]c(NCc2ccco2)n1	ZINC000036235671	570578406	/nfs/dbraw/zinc/57/84/06/570578406.db2.gz	DGAFAMTVAIYVGP-UHFFFAOYSA-N	-1	3	381.440	1.492	50	0		GDAAHM
COCc1nn2c(ncc3c2ccn([N-]C(N)=O)c3=O)c1-c1ccc(F)cc1	ZINC000040397187	570601167	/nfs/dbraw/zinc/60/11/67/570601167.db2.gz	RUYJEMYBIFJTBZ-UHFFFAOYSA-N	-1	3	382.355	1.619	50	0		GDAAHM
CN(CC(=O)NCc1ccco1)C(=O)CSc1n[n-]c(-c2cccs2)n1	ZINC000006880906	570676043	/nfs/dbraw/zinc/67/60/43/570676043.db2.gz	VIESPIVBDKNWQH-UHFFFAOYSA-N	-1	3	391.478	1.993	50	0		GDAAHM
COc1ccc([C@H](NC(=O)c2ccccc2-c2nnn[n-]2)[C@H]2C[C@@H](O)C2)cn1	ZINC000244893064	570698507	/nfs/dbraw/zinc/69/85/07/570698507.db2.gz	YUWBHECZVJZUEO-AHIWAGSCSA-N	-1	3	380.408	1.512	50	0		GDAAHM
COc1ccc([C@H](NC(=O)c2ccccc2-c2nn[n-]n2)[C@H]2C[C@@H](O)C2)cn1	ZINC000244893064	570698511	/nfs/dbraw/zinc/69/85/11/570698511.db2.gz	YUWBHECZVJZUEO-AHIWAGSCSA-N	-1	3	380.408	1.512	50	0		GDAAHM
CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)c3[n-]c(=O)nc4ccccc43)C2)n1C	ZINC000253534779	570732956	/nfs/dbraw/zinc/73/29/56/570732956.db2.gz	CDWVXUHZIDDMFV-TXEJJXNPSA-N	-1	3	381.440	1.202	50	0		GDAAHM
Cc1cc(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)cc(S(N)(=O)=O)c1C	ZINC000253534909	570733726	/nfs/dbraw/zinc/73/37/26/570733726.db2.gz	UGPPZXNGBIBNDR-AULYBMBSSA-N	-1	3	376.438	1.122	50	0		GDAAHM
C[C@H](OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O)C(=O)NC1CC1	ZINC000007093496	570787887	/nfs/dbraw/zinc/78/78/87/570787887.db2.gz	DFSSWVCHQAOOJO-XTZNXHDOSA-N	-1	3	391.449	1.201	50	0		GDAAHM
CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1[O-]	ZINC000004687667	570834014	/nfs/dbraw/zinc/83/40/14/570834014.db2.gz	XTGHWTARDFLBOS-UHFFFAOYSA-N	-1	3	393.465	1.079	50	0		GDAAHM
CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccncc1	ZINC000012545222	570845748	/nfs/dbraw/zinc/84/57/48/570845748.db2.gz	YAYIDWIVRHTKIL-HNNXBMFYSA-N	-1	3	397.497	1.937	50	0		GDAAHM
CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccncc1	ZINC000012545221	570845962	/nfs/dbraw/zinc/84/59/62/570845962.db2.gz	YAYIDWIVRHTKIL-OAHLLOKOSA-N	-1	3	397.497	1.937	50	0		GDAAHM
O=C(NCC1(CO)CCC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1	ZINC000170594328	570852136	/nfs/dbraw/zinc/85/21/36/570852136.db2.gz	YXBQXDOHOVUPLR-UHFFFAOYSA-N	-1	3	381.429	1.847	50	0		GDAAHM
Cc1oc(CO)cc1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000032850622	570856918	/nfs/dbraw/zinc/85/69/18/570856918.db2.gz	AJFSTZFRWNTERJ-LLVKDONJSA-N	-1	3	381.406	1.880	50	0		GDAAHM
O=C(NC1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1)C1CCCCC1	ZINC000170621533	570877264	/nfs/dbraw/zinc/87/72/64/570877264.db2.gz	GTGCYPOYFHXEEA-UHFFFAOYSA-N	-1	3	383.448	1.871	50	0		GDAAHM
O=C([O-])COc1ccccc1CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21	ZINC000299783900	570895617	/nfs/dbraw/zinc/89/56/17/570895617.db2.gz	VMMPAVOHUDYRSU-CLWJZODNSA-N	-1	3	377.437	1.138	50	0		GDAAHM
CC[C@H](C)n1c(=O)[nH]c([O-])c([C@H]2NCCc3c4cc(OC)ccc4[nH]c32)c1=O	ZINC000017015896	570924088	/nfs/dbraw/zinc/92/40/88/570924088.db2.gz	DJOBBCLLCCWNJM-DYZYQPBXSA-N	-1	3	384.436	1.938	50	0	biogenic	GDAAHM
CC[C@H](C)n1c([O-])c([C@H]2NCCc3c4cc(OC)ccc4[nH]c32)c(=O)[nH]c1=O	ZINC000017015896	570924093	/nfs/dbraw/zinc/92/40/93/570924093.db2.gz	DJOBBCLLCCWNJM-DYZYQPBXSA-N	-1	3	384.436	1.938	50	0	biogenic	GDAAHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000107519016	570974315	/nfs/dbraw/zinc/97/43/15/570974315.db2.gz	KCUNMACGKJLAJF-CGTJXYLNSA-N	-1	3	398.525	1.395	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1	ZINC000095390715	571072601	/nfs/dbraw/zinc/07/26/01/571072601.db2.gz	CFLXDJBCZZEJSW-RCCFBDPRSA-N	-1	3	386.402	1.751	50	0		GDAAHM
COc1cc(C=CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc(Cl)c1OC	ZINC000221829397	222604947	/nfs/dbraw/zinc/60/49/47/222604947.db2.gz	VKWUSMQLDUDMQD-VSQXVHSFSA-N	-1	3	379.800	1.133	50	0		GDAAHM
Cc1nnnn1Cc1ccc(C(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)cc1	ZINC000426571623	231242919	/nfs/dbraw/zinc/24/29/19/231242919.db2.gz	OKZIZHJTDRDHPN-UHFFFAOYSA-N	-1	3	379.424	1.075	50	0		GDAAHM
CN1C[C@H](NC(=O)c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)C[C@H]1CO	ZINC000426500031	529829215	/nfs/dbraw/zinc/82/92/15/529829215.db2.gz	CIAZJOAUMLWDLW-MSOLQXFVSA-N	-1	3	378.436	1.329	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCSc1nncn1C	ZINC000426420126	530024079	/nfs/dbraw/zinc/02/40/79/530024079.db2.gz	MGCMOICFWVOXFE-UHFFFAOYSA-N	-1	3	379.471	1.459	50	0		GDAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000002635997	530532848	/nfs/dbraw/zinc/53/28/48/530532848.db2.gz	YKOOUCKVJISDHS-UHFFFAOYSA-N	-1	3	380.900	1.570	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccncc1	ZINC000004937869	530537402	/nfs/dbraw/zinc/53/74/02/530537402.db2.gz	AZXZELFMVVVXQT-NSHDSACASA-N	-1	3	383.857	1.727	50	0		GDAAHM
CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007026496	530543544	/nfs/dbraw/zinc/54/35/44/530543544.db2.gz	VNPWSVORMDEEMG-SNVBAGLBSA-N	-1	3	384.483	1.716	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1ccccc1Cl	ZINC000031618436	530603144	/nfs/dbraw/zinc/60/31/44/530603144.db2.gz	BUGAYHNLVSXPHA-UHFFFAOYSA-N	-1	3	381.841	1.927	50	0		GDAAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000026252535	530584634	/nfs/dbraw/zinc/58/46/34/530584634.db2.gz	FXJYWRDJECZVIP-UHFFFAOYSA-N	-1	3	375.332	1.616	50	0		GDAAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000026252535	530584636	/nfs/dbraw/zinc/58/46/36/530584636.db2.gz	FXJYWRDJECZVIP-UHFFFAOYSA-N	-1	3	375.332	1.616	50	0		GDAAHM
CC(C)[C@@H]1CN(Cc2ccc([O-])c(Cl)c2)C[C@H]1NS(=O)(=O)N(C)C	ZINC000095368641	530816681	/nfs/dbraw/zinc/81/66/81/530816681.db2.gz	LNTQLBBTYNYZMU-DZGCQCFKSA-N	-1	3	375.922	1.898	50	0		GDAAHM
CCOc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000009571141	212197813	/nfs/dbraw/zinc/19/78/13/212197813.db2.gz	IIWJQXOVMKPVMI-UHFFFAOYSA-N	-1	3	377.401	1.679	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000226839004	212115006	/nfs/dbraw/zinc/11/50/06/212115006.db2.gz	NHWVTBNIGQQOCR-JSGCOSHPSA-N	-1	3	377.784	1.022	50	0		GDAAHM
O=S(=O)([N-]C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1	ZINC000010680017	221106265	/nfs/dbraw/zinc/10/62/65/221106265.db2.gz	YPYMBCRKCYZWKC-UHFFFAOYSA-N	-1	3	386.520	1.880	50	0		GDAAHM
CC(C)C[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)N1CCOCC1	ZINC000012521087	221201981	/nfs/dbraw/zinc/20/19/81/221201981.db2.gz	AATQAONJBNUAER-QGZVFWFLSA-N	-1	3	383.514	1.535	50	0		GDAAHM
C[C@@H]1CN(C(C)(C)CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)C[C@H](C)O1	ZINC000012694184	221217757	/nfs/dbraw/zinc/21/77/57/221217757.db2.gz	LGKPZHANFHLMCJ-OKILXGFUSA-N	-1	3	388.468	1.106	50	0		GDAAHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1ccc2c(c1)OCO2	ZINC000013006587	221256859	/nfs/dbraw/zinc/25/68/59/221256859.db2.gz	FVYZBPULLWJDEG-UHFFFAOYSA-N	-1	3	381.388	1.168	50	0		GDAAHM
COc1cc(CN2CCC[C@H](C(N)=O)C2)cc(I)c1[O-]	ZINC000016663102	221368258	/nfs/dbraw/zinc/36/82/58/221368258.db2.gz	WVCRFHRSSQHVRG-JTQLQIEISA-N	-1	3	390.221	1.703	50	0		GDAAHM
O=C(COC(=O)c1ccc([O-])cc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000017483224	221383328	/nfs/dbraw/zinc/38/33/28/221383328.db2.gz	CPLRVIDTLJWTQG-OAHLLOKOSA-N	-1	3	381.450	1.507	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCO[C@H](c2ccccc2)C1	ZINC000016847519	221372685	/nfs/dbraw/zinc/37/26/85/221372685.db2.gz	LKIUJPUHQMXTJY-INIZCTEOSA-N	-1	3	396.415	1.843	50	0		GDAAHM
Cc1cccc(-c2ncc(CN3CCN(c4cc(=O)[n-]c(N)n4)CC3)cn2)c1	ZINC000065396555	136163953	/nfs/dbraw/zinc/16/39/53/136163953.db2.gz	HPPJTUYJYIOPHI-UHFFFAOYSA-N	-1	3	377.452	1.440	50	0		GDAAHM
O=c1[n-]nc(SC[C@H]2CNC(c3ccccc3)=NO2)n1C[C@@H]1CCCO1	ZINC000057745307	222036028	/nfs/dbraw/zinc/03/60/28/222036028.db2.gz	SAADLTCZHNGBPT-UONOGXRCSA-N	-1	3	375.454	1.193	50	0		GDAAHM
C[C@H](c1cncs1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067804595	222161490	/nfs/dbraw/zinc/16/14/90/222161490.db2.gz	DHCVOTAZQWFAKL-MRVPVSSYSA-N	-1	3	387.508	1.930	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC(c3n[nH]cc3-c3ccccc3)CC2)cc(=O)[n-]1	ZINC000067934662	222168708	/nfs/dbraw/zinc/16/87/08/222168708.db2.gz	STBSHXYWTZOTBI-UHFFFAOYSA-N	-1	3	378.436	1.691	50	0		GDAAHM
Nc1nc(CC(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc(=O)[n-]1	ZINC000067934662	222168713	/nfs/dbraw/zinc/16/87/13/222168713.db2.gz	STBSHXYWTZOTBI-UHFFFAOYSA-N	-1	3	378.436	1.691	50	0		GDAAHM
CCCn1ccnc1CNS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067983552	222171441	/nfs/dbraw/zinc/17/14/41/222171441.db2.gz	DQULWELYZKTSMQ-UHFFFAOYSA-N	-1	3	384.483	1.177	50	0		GDAAHM
CN(C)c1nc2c(c(=O)[n-]1)CCN(C(=O)c1c[nH]nc1-c1cccc(F)c1)C2	ZINC000071762801	222193300	/nfs/dbraw/zinc/19/33/00/222193300.db2.gz	FJXAJYKPHMRPOF-UHFFFAOYSA-N	-1	3	382.399	1.564	50	0		GDAAHM
Cc1cc(=O)[n-]c([C@H](C)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)n1	ZINC000084114333	222314582	/nfs/dbraw/zinc/31/45/82/222314582.db2.gz	LYRRCHYOWXNCTN-LSDHHAIUSA-N	-1	3	387.459	1.923	50	0		GDAAHM
C[C@H](NC(=O)c1ccoc1)c1nc(C[N-]S(=O)(=O)c2ccc(F)cc2)no1	ZINC000095972465	222366951	/nfs/dbraw/zinc/36/69/51/222366951.db2.gz	YAZGAQYVFRXYDV-JTQLQIEISA-N	-1	3	394.384	1.771	50	0		GDAAHM
CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cnc[n-]c1=O	ZINC000082096435	535072172	/nfs/dbraw/zinc/07/21/72/535072172.db2.gz	AMEJNJMALNMIGL-AWEZNQCLSA-N	-1	3	384.436	1.826	50	0		GDAAHM
CN1CCC2(CC1)C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1O2	ZINC000023654091	570368861	/nfs/dbraw/zinc/36/88/61/570368861.db2.gz	BPUQEYIBZOZMGQ-OAHLLOKOSA-N	-1	3	384.436	1.053	50	0		GDAAHM
CC(=O)N1c2ccc(S(=O)(=O)NN=c3nc(C)cc(C)[n-]3)cc2C[C@H]1C	ZINC000028686523	570462982	/nfs/dbraw/zinc/46/29/82/570462982.db2.gz	XKPOCDPEZIONEK-GFCCVEGCSA-N	-1	3	375.454	1.696	50	0		GDAAHM
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[n-]c(=O)c2[C@@H]1c1cc2ccccc2[nH]c1=O	ZINC000006907872	570698712	/nfs/dbraw/zinc/69/87/12/570698712.db2.gz	KXELLOKDKIIUAX-CQSZACIVSA-N	-1	3	394.387	1.299	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cncc(N2CCCC2=O)c1	ZINC000585150342	570713158	/nfs/dbraw/zinc/71/31/58/570713158.db2.gz	OLTLWXHQISIYKF-UHFFFAOYSA-N	-1	3	395.462	1.535	50	0		GDAAHM
O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O	ZINC000252486667	570728219	/nfs/dbraw/zinc/72/82/19/570728219.db2.gz	HOFNJGSSRNGGBG-SJLPKXTDSA-N	-1	3	375.856	1.735	50	0		GDAAHM
COc1ccc2[n-]cc(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)c(=O)c2c1	ZINC000253535559	570733600	/nfs/dbraw/zinc/73/36/00/570733600.db2.gz	DORKTELXHMOAAZ-SRBZOADZSA-N	-1	3	382.420	1.925	50	0		GDAAHM
O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1cc(-n2cnnn2)ccc1O	ZINC000253534917	570733631	/nfs/dbraw/zinc/73/36/31/570733631.db2.gz	VNBKLCGCNPVSDI-TXEJJXNPSA-N	-1	3	393.407	1.417	50	0		GDAAHM
C[C@H](OC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O)C(=O)NC1CC1	ZINC000007093503	570787994	/nfs/dbraw/zinc/78/79/94/570787994.db2.gz	DFSSWVCHQAOOJO-YPMLDQLKSA-N	-1	3	391.449	1.201	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2	ZINC000032768902	570803560	/nfs/dbraw/zinc/80/35/60/570803560.db2.gz	RJYGQAVRHRZSFT-NSHDSACASA-N	-1	3	395.437	1.046	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1	ZINC000006028304	570815300	/nfs/dbraw/zinc/81/53/00/570815300.db2.gz	OODJEVSJKDIPNF-UHFFFAOYSA-N	-1	3	384.388	1.899	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1	ZINC000006028304	570815304	/nfs/dbraw/zinc/81/53/04/570815304.db2.gz	OODJEVSJKDIPNF-UHFFFAOYSA-N	-1	3	384.388	1.899	50	0		GDAAHM
CC(C)CNC(=O)COC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O	ZINC000007411106	570838444	/nfs/dbraw/zinc/83/84/44/570838444.db2.gz	RSNXEMXJYXVXNG-GOSISDBHSA-N	-1	3	393.465	1.306	50	0		GDAAHM
CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-n3ccnc3)nc2)C1=O	ZINC000012544647	570845440	/nfs/dbraw/zinc/84/54/40/570845440.db2.gz	KSNPGILXBFQWJC-HXUWFJFHSA-N	-1	3	390.403	1.769	50	0		GDAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)NCCC1=CCCCC1	ZINC000003502178	570873731	/nfs/dbraw/zinc/87/37/31/570873731.db2.gz	HTVCVRBPCHYFJJ-UHFFFAOYSA-N	-1	3	385.420	1.240	50	0		GDAAHM
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccccc1[O-])CC2	ZINC000091460239	571009449	/nfs/dbraw/zinc/00/94/49/571009449.db2.gz	RNCZPJHQKFXHEE-UHFFFAOYSA-N	-1	3	384.436	1.278	50	0		GDAAHM
COCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1[O-])CC2	ZINC000091460239	571009451	/nfs/dbraw/zinc/00/94/51/571009451.db2.gz	RNCZPJHQKFXHEE-UHFFFAOYSA-N	-1	3	384.436	1.278	50	0		GDAAHM
CC(C)n1cc(CN2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cn1	ZINC000092106878	571045320	/nfs/dbraw/zinc/04/53/20/571045320.db2.gz	BLBYTVLUZONFJC-MOPGFXCFSA-N	-1	3	377.533	1.767	50	0		GDAAHM
Cc1c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)ccn1C	ZINC000092099976	571045406	/nfs/dbraw/zinc/04/54/06/571045406.db2.gz	YGOYFKJUNULOQY-AEFFLSMTSA-N	-1	3	376.501	1.276	50	0		GDAAHM
COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCC(CN3CCOCC3)CC2)c1	ZINC000095355160	571051950	/nfs/dbraw/zinc/05/19/50/571051950.db2.gz	VAQCJACPUJZNMA-IBGZPJMESA-N	-1	3	378.469	1.874	50	0		GDAAHM
CN1CCN(Cc2ccccc2OCC(=O)[O-])C[C@@]12CCC(=O)N(C)CC2	ZINC000095379898	571066799	/nfs/dbraw/zinc/06/67/99/571066799.db2.gz	YWQMQYXZMYSPLV-FQEVSTJZSA-N	-1	3	375.469	1.279	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1	ZINC000095380926	571067559	/nfs/dbraw/zinc/06/75/59/571067559.db2.gz	KFFDEVBMQPKZSM-KFKAGJAMSA-N	-1	3	394.431	1.201	50	0		GDAAHM
Cc1nc(C[N-]S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)no1	ZINC000095388174	571071222	/nfs/dbraw/zinc/07/12/22/571071222.db2.gz	HWLNUHGAMVSIEK-UHFFFAOYSA-N	-1	3	378.454	1.919	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@@H]23)cnn1C	ZINC000101075888	231009097	/nfs/dbraw/zinc/00/90/97/231009097.db2.gz	RNZJTKPKHZVFGA-GXTWGEPZSA-N	-1	3	389.209	1.784	50	0		GDAAHM
CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)[nH]1	ZINC000091644659	529600028	/nfs/dbraw/zinc/60/00/28/529600028.db2.gz	CMVIDPJRVJEFCL-QAPCUYQASA-N	-1	3	376.501	1.520	50	0		GDAAHM
COc1ccc(N2C[C@H]([N-]S(=O)(=O)c3cccs3)CC2=O)cc1OC	ZINC000004499706	530535809	/nfs/dbraw/zinc/53/58/09/530535809.db2.gz	AGXGAWKEFMKDPW-LLVKDONJSA-N	-1	3	382.463	1.849	50	0		GDAAHM
O=C([N-]C1=NCCS1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1	ZINC000019630230	530568417	/nfs/dbraw/zinc/56/84/17/530568417.db2.gz	AJRRCYYHTSTGMA-NSHDSACASA-N	-1	3	378.479	1.067	50	0		GDAAHM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCOC)cc21	ZINC000040450308	530619749	/nfs/dbraw/zinc/61/97/49/530619749.db2.gz	OAWZWYCVHFYKSS-UHFFFAOYSA-N	-1	3	391.287	1.673	50	0		GDAAHM
CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CCCCC(N)=O)s1	ZINC000095461675	530817188	/nfs/dbraw/zinc/81/71/88/530817188.db2.gz	YKIVLFJFLKMIHM-UHFFFAOYSA-N	-1	3	389.543	1.387	50	0		GDAAHM
CSCC[C@@H](CO)NC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000252499957	531091433	/nfs/dbraw/zinc/09/14/33/531091433.db2.gz	SJXKOANNCOTYCT-LBPRGKRZSA-N	-1	3	385.511	1.243	50	0		GDAAHM
CCCN1C[C@H]([N-]S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1=O	ZINC000670471184	531833699	/nfs/dbraw/zinc/83/36/99/531833699.db2.gz	VIGWAUKDQPYHHD-SNVBAGLBSA-N	-1	3	376.862	1.646	50	0		GDAAHM
COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000001121334	212220145	/nfs/dbraw/zinc/22/01/45/212220145.db2.gz	LWERNPKBTWUVHK-UHFFFAOYSA-N	-1	3	378.406	1.998	50	0		GDAAHM
CCOC([O-])=NC(=O)c1cn(Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O	ZINC000001039855	212208812	/nfs/dbraw/zinc/20/88/12/212208812.db2.gz	XZJQAXIKAWSNRZ-UHFFFAOYSA-N	-1	3	386.286	1.317	50	0		GDAAHM
CCOC(=O)[N-]C(=O)c1cn(Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O	ZINC000001039855	212208813	/nfs/dbraw/zinc/20/88/13/212208813.db2.gz	XZJQAXIKAWSNRZ-UHFFFAOYSA-N	-1	3	386.286	1.317	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(-c2cnccn2)nn1C	ZINC000245130910	212134582	/nfs/dbraw/zinc/13/45/82/212134582.db2.gz	VDWBLNYROPNNKO-UHFFFAOYSA-N	-1	3	393.450	1.204	50	0		GDAAHM
NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)C1	ZINC000008429260	221040836	/nfs/dbraw/zinc/04/08/36/221040836.db2.gz	UKQWGRHSNHKALL-LLVKDONJSA-N	-1	3	385.873	1.118	50	0		GDAAHM
O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1ccccc1F	ZINC000009305296	221077102	/nfs/dbraw/zinc/07/71/02/221077102.db2.gz	KSMDTBKGJZBRDA-MRXNPFEDSA-N	-1	3	396.300	1.961	50	0		GDAAHM
CCCN1c2ccc(OCC)cc2[C@]2(SC([N-]C(C)=O)=NN2C(C)=O)C1=O	ZINC000009575951	221085221	/nfs/dbraw/zinc/08/52/21/221085221.db2.gz	GMVRBGZXEDAODN-SFHVURJKSA-N	-1	3	390.465	1.997	50	0		GDAAHM
COc1ccc(OC)c(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)c1	ZINC000013002868	221255970	/nfs/dbraw/zinc/25/59/70/221255970.db2.gz	XSBVGPSJVFCLFH-UHFFFAOYSA-N	-1	3	384.479	1.750	50	0		GDAAHM
C[C@@H]1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C[C@H](C)O1	ZINC000013148672	221263213	/nfs/dbraw/zinc/26/32/13/221263213.db2.gz	WIAMUSPYOUGBOR-BETUJISGSA-N	-1	3	399.476	1.837	50	0		GDAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC12CC3CC(CC(C3)C1)C2	ZINC000013988354	221293957	/nfs/dbraw/zinc/29/39/57/221293957.db2.gz	GMJKSTJVPWSQJZ-UHFFFAOYSA-N	-1	3	382.258	1.384	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1	ZINC000017306761	221382161	/nfs/dbraw/zinc/38/21/61/221382161.db2.gz	UIMAJGAQDUKMAB-AWEZNQCLSA-N	-1	3	392.481	1.794	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1	ZINC000017306761	221382164	/nfs/dbraw/zinc/38/21/64/221382164.db2.gz	UIMAJGAQDUKMAB-AWEZNQCLSA-N	-1	3	392.481	1.794	50	0		GDAAHM
CCCn1c(=O)[nH]c(=O)c2c(C(=O)[N-]N3CCCCC3=O)cc(C(C)C)nc21	ZINC000058162809	222042881	/nfs/dbraw/zinc/04/28/81/222042881.db2.gz	CXUQHTFUPNHFML-UHFFFAOYSA-N	-1	3	387.440	1.276	50	0		GDAAHM
CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCCN(Cc3ccco3)C1)C2	ZINC000067654861	222153619	/nfs/dbraw/zinc/15/36/19/222153619.db2.gz	LRAOLROUPZQMAO-CQSZACIVSA-N	-1	3	386.452	1.991	50	0		GDAAHM
CCCO[C@@H]1CCCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)C1	ZINC000067754876	222157806	/nfs/dbraw/zinc/15/78/06/222157806.db2.gz	IYQHQQTWLCFALY-LLVKDONJSA-N	-1	3	388.511	1.672	50	0		GDAAHM
Cn1ccnc1CN1CCC[C@](O)(C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000072158010	222213262	/nfs/dbraw/zinc/21/32/62/222213262.db2.gz	FQXIESUOJAFVHY-MRXNPFEDSA-N	-1	3	384.527	1.177	50	0		GDAAHM
CCCc1nnsc1C(=O)[N-]c1nc2c(s1)CN(S(C)(=O)=O)CC2	ZINC000077155392	222274388	/nfs/dbraw/zinc/27/43/88/222274388.db2.gz	NSEOYIXSLMWRFZ-UHFFFAOYSA-N	-1	3	387.512	1.517	50	0		GDAAHM
O=C(NCc1ccco1)N1C[C@H]2C[C@@H]1[C@@H]([N-]S(=O)(=O)c1cccs1)C2	ZINC000096095766	222377822	/nfs/dbraw/zinc/37/78/22/222377822.db2.gz	YMSKODVCMVERAP-KWCYVHTRSA-N	-1	3	381.479	1.992	50	0		GDAAHM
COC(=O)c1cn(CCc2nnc(-c3ccccc3[O-])o2)cc2c(=O)[nH]nc1-2	ZINC000263586946	534303441	/nfs/dbraw/zinc/30/34/41/534303441.db2.gz	AAIMQYKIZUFVLZ-UHFFFAOYSA-N	-1	3	381.348	1.461	50	0		GDAAHM
COc1cccc(NC(=O)C[C@@H](CN2CCN(c3ccccn3)CC2)C(=O)[O-])c1	ZINC000061721994	537127874	/nfs/dbraw/zinc/12/78/74/537127874.db2.gz	WKVDYJPBXMEOHN-INIZCTEOSA-N	-1	3	398.463	1.942	50	0		GDAAHM
Cc1cc(C)n(-c2ccc(NCC[N-]S(=O)(=O)c3ccccc3F)nn2)n1	ZINC000019924142	570229691	/nfs/dbraw/zinc/22/96/91/570229691.db2.gz	ROVQJXJKKYCNAQ-UHFFFAOYSA-N	-1	3	390.444	1.809	50	0		GDAAHM
Cc1cc2ncc(C(=O)NCCN3CCC[C@@H](c4ccccc4)C3)c(=O)n2[n-]1	ZINC000102363453	570256587	/nfs/dbraw/zinc/25/65/87/570256587.db2.gz	ZEHFKSONRUWTGT-QGZVFWFLSA-N	-1	3	379.464	1.940	50	0		GDAAHM
CCN1CCN(c2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2F)CC1	ZINC000236893729	570277114	/nfs/dbraw/zinc/27/71/14/570277114.db2.gz	ZKSCYCHABWYJTP-UHFFFAOYSA-N	-1	3	380.464	1.056	50	0		GDAAHM
CCn1c2ccccc2c2nnc(SCC(=O)[N-]C3=NC(=O)CS3)nc21	ZINC000002746213	570297971	/nfs/dbraw/zinc/29/79/71/570297971.db2.gz	WVKGQKHAQYJAMT-UHFFFAOYSA-N	-1	3	386.462	1.837	50	0		GDAAHM
CCOC(=O)c1nnsc1[N-]C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000033436047	570349509	/nfs/dbraw/zinc/34/95/09/570349509.db2.gz	SCMLXYUIAZIUNJ-MNOVXSKESA-N	-1	3	389.437	1.528	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)CNC(=O)c1ccc(OCC)c(OCC)c1	ZINC000006865256	570654745	/nfs/dbraw/zinc/65/47/45/570654745.db2.gz	KYOFHHISNWMGGU-UHFFFAOYSA-N	-1	3	396.396	1.030	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)CNC(=O)c1ccc(OCC)c(OCC)c1	ZINC000006865256	570654749	/nfs/dbraw/zinc/65/47/49/570654749.db2.gz	KYOFHHISNWMGGU-UHFFFAOYSA-N	-1	3	396.396	1.030	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nnc2ccc(-c3ccsc3)nn21	ZINC000238904295	570812674	/nfs/dbraw/zinc/81/26/74/570812674.db2.gz	RSPNQLVMGCYNHN-UHFFFAOYSA-N	-1	3	390.450	1.936	50	0		GDAAHM
CCOC(=O)Cc1cc(=O)n2nc(NCc3ccc(OC)c(OC)c3)[n-]c2n1	ZINC000101483418	570824537	/nfs/dbraw/zinc/82/45/37/570824537.db2.gz	SZOVOFQULNAYHB-UHFFFAOYSA-N	-1	3	387.396	1.153	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(-c4cccnc4)on3)CC2)n1	ZINC000239611753	570834916	/nfs/dbraw/zinc/83/49/16/570834916.db2.gz	FDFAMVCSMLSPAB-UHFFFAOYSA-N	-1	3	380.408	1.939	50	0		GDAAHM
CO[C@]12CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)[C@H]1C[C@H](NC(C)=O)CC2	ZINC000534583484	570903398	/nfs/dbraw/zinc/90/33/98/570903398.db2.gz	OAXIURIFQNHCOX-SIXWZSSISA-N	-1	3	376.457	1.016	50	0		GDAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCO4)cc(C3CC3)nc21	ZINC000032031701	570934739	/nfs/dbraw/zinc/93/47/39/570934739.db2.gz	GDXJQXZDLJIFAL-UHFFFAOYSA-N	-1	3	394.387	1.963	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C[C@H]2CCCO)CC1	ZINC000091625276	571019504	/nfs/dbraw/zinc/01/95/04/571019504.db2.gz	FWHGYWGYRNTYRG-AEFFLSMTSA-N	-1	3	395.931	1.896	50	0		GDAAHM
Cc1cc(C)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cn1	ZINC000091746761	571029461	/nfs/dbraw/zinc/02/94/61/571029461.db2.gz	YSWRMBMJLAHLIB-MJGOQNOKSA-N	-1	3	388.512	1.641	50	0		GDAAHM
COc1ccc([C@H](C(=O)[O-])N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1	ZINC000095362931	571056655	/nfs/dbraw/zinc/05/66/55/571056655.db2.gz	HYYILTFJAWSNMC-MRXNPFEDSA-N	-1	3	376.457	1.022	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@@H]23)cnn1C	ZINC000101075890	231009261	/nfs/dbraw/zinc/00/92/61/231009261.db2.gz	RNZJTKPKHZVFGA-JSGCOSHPSA-N	-1	3	389.209	1.784	50	0		GDAAHM
CCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CC1	ZINC000019991812	530569008	/nfs/dbraw/zinc/56/90/08/530569008.db2.gz	CUUGKLSWWIJDSZ-LBPRGKRZSA-N	-1	3	389.905	1.180	50	0		GDAAHM
CCOc1ccccc1C(=O)NCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C	ZINC000253428597	222741100	/nfs/dbraw/zinc/74/11/00/222741100.db2.gz	MKPMTWXDGMYOTF-UHFFFAOYSA-N	-1	3	398.419	1.350	50	0		GDAAHM
CC(C)(O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1	ZINC000170610119	530585922	/nfs/dbraw/zinc/58/59/22/530585922.db2.gz	HIJJQEGJXDUMAY-UHFFFAOYSA-N	-1	3	382.214	1.165	50	0		GDAAHM
CCCc1nc(C)sc1C(=O)N=c1cc(C)[n-]n1[C@@H]1CCS(=O)(=O)C1	ZINC000334159139	532264370	/nfs/dbraw/zinc/26/43/70/532264370.db2.gz	DIMPZYPFLNSAAV-GFCCVEGCSA-N	-1	3	382.511	1.943	50	0		GDAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O	ZINC000001064195	212212523	/nfs/dbraw/zinc/21/25/23/212212523.db2.gz	UVAUHDPCCUGMPY-UHFFFAOYSA-N	-1	3	390.355	1.112	50	0		GDAAHM
CCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000007645435	221004778	/nfs/dbraw/zinc/00/47/78/221004778.db2.gz	SPSOIZKXBLWFQD-GFCCVEGCSA-N	-1	3	393.440	1.881	50	0		GDAAHM
COc1ccc(CCNC(=O)CC[N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000008772440	221059045	/nfs/dbraw/zinc/05/90/45/221059045.db2.gz	YJYQHUHVFZBWQV-UHFFFAOYSA-N	-1	3	381.454	1.327	50	0		GDAAHM
CC(=O)N1CCN(C(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)CC1	ZINC000013690381	221282082	/nfs/dbraw/zinc/28/20/82/221282082.db2.gz	WLEAYJCSOWUFMB-UHFFFAOYSA-N	-1	3	376.409	1.206	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1	ZINC000015868463	221351502	/nfs/dbraw/zinc/35/15/02/221351502.db2.gz	RTOBRYIBZXEGEX-UHFFFAOYSA-N	-1	3	396.429	1.142	50	0		GDAAHM
CCCc1nn(C)c2c1nc(-c1cc(S(N)(=O)=O)ccc1OCC)[n-]c2=O	ZINC000015985153	221353478	/nfs/dbraw/zinc/35/34/78/221353478.db2.gz	RXDHCHRRVRQYRM-UHFFFAOYSA-N	-1	3	391.453	1.322	50	0		GDAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccc(S(C)(=O)=O)c1)C2=O	ZINC000018023265	221386502	/nfs/dbraw/zinc/38/65/02/221386502.db2.gz	LNOFIDSQBMSASH-UHFFFAOYSA-N	-1	3	379.438	1.236	50	0		GDAAHM
CC(C)c1nc2c(cnn2C)c(NC2CCN(c3cc(=O)[n-]c(N)n3)CC2)n1	ZINC000072165244	136167300	/nfs/dbraw/zinc/16/73/00/136167300.db2.gz	GRXABBVRBSGJKA-UHFFFAOYSA-N	-1	3	383.460	1.233	50	0		GDAAHM
O=S(=O)([N-]C[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1)c1cccs1	ZINC000095529209	136181725	/nfs/dbraw/zinc/18/17/25/136181725.db2.gz	GILQZSXOBZPAPD-NSHDSACASA-N	-1	3	378.483	1.609	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCC2CCN(C(=O)c3ccc(F)cc3)CC2)c1	ZINC000065007140	222095397	/nfs/dbraw/zinc/09/53/97/222095397.db2.gz	KJDFNYZMGSVIDA-UHFFFAOYSA-N	-1	3	394.472	1.780	50	0		GDAAHM
O=C(COCC(F)(F)F)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000058953119	222055877	/nfs/dbraw/zinc/05/58/77/222055877.db2.gz	FRPPLTASEGZAAF-UHFFFAOYSA-N	-1	3	386.417	1.596	50	0		GDAAHM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3Cl)cc12	ZINC000060353815	222058933	/nfs/dbraw/zinc/05/89/33/222058933.db2.gz	QNLQYSGWDHIJGM-UHFFFAOYSA-N	-1	3	379.829	1.830	50	0		GDAAHM
Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)C(=O)NC(C)(C)C	ZINC000060318774	222059743	/nfs/dbraw/zinc/05/97/43/222059743.db2.gz	WEXVVSNRTHYBRP-ZDUSSCGKSA-N	-1	3	385.468	1.492	50	0		GDAAHM
COc1cccc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)c1	ZINC000067757334	222157163	/nfs/dbraw/zinc/15/71/63/222157163.db2.gz	HQHKHFQSXDSHLB-UHFFFAOYSA-N	-1	3	382.463	1.579	50	0		GDAAHM
CCCN(C[C@H]1CCCO1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067770091	222159313	/nfs/dbraw/zinc/15/93/13/222159313.db2.gz	QJALLGWMWPNTFK-LLVKDONJSA-N	-1	3	388.511	1.672	50	0		GDAAHM
O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1ccc(-n2cnnn2)cc1[O-]	ZINC000072161442	222215410	/nfs/dbraw/zinc/21/54/10/222215410.db2.gz	JKJBTXAYUFUAAW-OAHLLOKOSA-N	-1	3	379.424	1.157	50	0		GDAAHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C(N)=O	ZINC000072313996	222224454	/nfs/dbraw/zinc/22/44/54/222224454.db2.gz	HTXWVMCCJFXTAU-GHMZBOCLSA-N	-1	3	391.287	1.780	50	0		GDAAHM
COCCn1cnnc1CCNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2	ZINC000095507934	222340267	/nfs/dbraw/zinc/34/02/67/222340267.db2.gz	JYGKHYCBEAHDHT-UHFFFAOYSA-N	-1	3	382.424	1.146	50	0		GDAAHM
CCOC(=O)c1sc2[n-]c(CN3CCN(C(C)=O)CC3)nc(=O)c2c1C	ZINC000021822538	570297603	/nfs/dbraw/zinc/29/76/03/570297603.db2.gz	IHTHFJXJJSDZNJ-UHFFFAOYSA-N	-1	3	378.454	1.546	50	0		GDAAHM
CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCO4)n2)cn1	ZINC000575414390	570303317	/nfs/dbraw/zinc/30/33/17/570303317.db2.gz	IEVYBSAZHRRIPW-UHFFFAOYSA-N	-1	3	375.410	1.366	50	0		GDAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2cccc3cccnc32)nc(N(C)C)n1	ZINC000575606802	570330074	/nfs/dbraw/zinc/33/00/74/570330074.db2.gz	LSKICSCDIYTMMS-UHFFFAOYSA-N	-1	3	387.469	1.030	50	0		GDAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1COCC[C@@H]1OCC1CCC1	ZINC000219281507	570350655	/nfs/dbraw/zinc/35/06/55/570350655.db2.gz	OFDKKNFFVHTULY-OLZOCXBDSA-N	-1	3	377.894	1.634	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCNc1cc(-n2ccnc2C)nc(C)n1	ZINC000035598176	570401169	/nfs/dbraw/zinc/40/11/69/570401169.db2.gz	WTEXMMGDNCZISG-UHFFFAOYSA-N	-1	3	391.457	1.274	50	0		GDAAHM
Nc1nc(N)c(-c2c(-c3cccc(Cl)c3)[nH]c3nc(N)[nH]c(=O)c32)c(=O)[n-]1	ZINC000006668022	570527067	/nfs/dbraw/zinc/52/70/67/570527067.db2.gz	ZZVXUTKKBAVXJL-UHFFFAOYSA-N	-1	3	384.787	1.069	50	0		GDAAHM
O=S(=O)([N-]C[C@H]1CCCO1)c1c2nonc2ccc1NC[C@@H]1CCCO1	ZINC000035606307	570555814	/nfs/dbraw/zinc/55/58/14/570555814.db2.gz	OFNQGNQQCAFOSZ-NWDGAFQWSA-N	-1	3	382.442	1.271	50	0		GDAAHM
COc1cc([C@H]2c3c(C)[nH]nc3Nc3[nH]c(=O)[n-]c(=O)c32)ccc1OC(F)F	ZINC000036357360	570637604	/nfs/dbraw/zinc/63/76/04/570637604.db2.gz	IIFATHNVRXGMNR-NSHDSACASA-N	-1	3	391.334	1.942	50	0		GDAAHM
CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000033033293	570670633	/nfs/dbraw/zinc/67/06/33/570670633.db2.gz	ZONZPOZXYPVTMR-UHFFFAOYSA-N	-1	3	394.522	1.660	50	0		GDAAHM
COC[C@@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cnc(C)[n-]c1=O	ZINC000055036083	570679547	/nfs/dbraw/zinc/67/95/47/570679547.db2.gz	XKAXQKRLKFODJX-GFCCVEGCSA-N	-1	3	375.425	1.773	50	0		GDAAHM
CCOc1ccccc1NC(=O)CSc1[n-]c(=O)nc(C)c1C(=O)OC	ZINC000031618422	570818441	/nfs/dbraw/zinc/81/84/41/570818441.db2.gz	YFQHYFOIDBZSAM-UHFFFAOYSA-N	-1	3	377.422	1.994	50	0		GDAAHM
Cc1cc(=NC(=O)Cc2cc(F)c(F)cc2F)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159142	570876421	/nfs/dbraw/zinc/87/64/21/570876421.db2.gz	DKIPQILQKUQSFN-NSHDSACASA-N	-1	3	387.383	1.572	50	0		GDAAHM
Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3cc(=O)[n-]cn3)c2)CC1	ZINC000299796314	570897101	/nfs/dbraw/zinc/89/71/01/570897101.db2.gz	PXHMNMYYIOWYPU-UHFFFAOYSA-N	-1	3	378.436	1.541	50	0		GDAAHM
C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)N(C)C	ZINC000032928246	570940727	/nfs/dbraw/zinc/94/07/27/570940727.db2.gz	DVQVRLLYMYBFQP-LBPRGKRZSA-N	-1	3	393.440	1.833	50	0		GDAAHM
CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1	ZINC000170675796	571008440	/nfs/dbraw/zinc/00/84/40/571008440.db2.gz	KPLHRQRUPIGDPT-UHFFFAOYSA-N	-1	3	386.330	1.844	50	0		GDAAHM
O=C([O-])CN1CC2(CCC1=O)CCN(Cc1cccc(OCCO)c1)CC2	ZINC000091713931	571027983	/nfs/dbraw/zinc/02/79/83/571027983.db2.gz	GBJJSASTYHEDJQ-UHFFFAOYSA-N	-1	3	376.453	1.347	50	0		GDAAHM
CN1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@]12CCC(=O)N(C)CC2	ZINC000095365443	571058039	/nfs/dbraw/zinc/05/80/39/571058039.db2.gz	GHYYHHTWNDOFGS-LJQANCHMSA-N	-1	3	379.888	1.743	50	0		GDAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@@H]1CN1CCOCC1	ZINC000095374294	571063155	/nfs/dbraw/zinc/06/31/55/571063155.db2.gz	AFFYQVVSDIDRPG-QGZVFWFLSA-N	-1	3	386.452	1.070	50	0		GDAAHM
O=C(N[C@H]1CN(C(=O)c2cnccn2)C[C@@H]1C1CC1)c1ccc2n[n-]nc2c1	ZINC000095380117	571067090	/nfs/dbraw/zinc/06/70/90/571067090.db2.gz	VJZUWSXQDLTGAC-DYVFJYSZSA-N	-1	3	377.408	1.029	50	0		GDAAHM
Cc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426549232	231239369	/nfs/dbraw/zinc/23/93/69/231239369.db2.gz	YJMPOPCLBRCPPP-GFCCVEGCSA-N	-1	3	393.325	1.771	50	0		GDAAHM
CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1	ZINC000004742953	530536685	/nfs/dbraw/zinc/53/66/85/530536685.db2.gz	XUKCIKFDZYKVGA-UHFFFAOYSA-N	-1	3	390.889	1.654	50	0		GDAAHM
CCOC(=O)N1CCC(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1	ZINC000024470141	530577391	/nfs/dbraw/zinc/57/73/91/530577391.db2.gz	XOSCZXIZCNWPCE-UHFFFAOYSA-N	-1	3	389.499	1.154	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(-c2cccs2)ccc1=O	ZINC000042379705	530629279	/nfs/dbraw/zinc/62/92/79/530629279.db2.gz	ISBXGYMYWCUGEZ-UHFFFAOYSA-N	-1	3	380.451	1.555	50	0		GDAAHM
O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)[N-]Cc1cc(-c2ccccc2)no1	ZINC000253427170	531091809	/nfs/dbraw/zinc/09/18/09/531091809.db2.gz	DOKOUHXWQGTBBI-ZDUSSCGKSA-N	-1	3	384.479	1.586	50	0		GDAAHM
Cc1ccnc2nc(C(=O)[N-]c3nc4ccc(S(C)(=O)=O)cc4s3)nn21	ZINC000009223752	212163864	/nfs/dbraw/zinc/16/38/64/212163864.db2.gz	MRXSSKNNPYPLTM-UHFFFAOYSA-N	-1	3	388.434	1.698	50	0		GDAAHM
CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3c(c2)OCCO3)cn1C	ZINC000253473431	212137737	/nfs/dbraw/zinc/13/77/37/212137737.db2.gz	UWGLPXVMQLPBEO-CYBMUJFWSA-N	-1	3	381.454	1.327	50	0		GDAAHM
O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(n2c([O-])coc2=O)CC1	ZINC000253397577	212136413	/nfs/dbraw/zinc/13/64/13/212136413.db2.gz	FUKOQDIHHXPVMV-UHFFFAOYSA-N	-1	3	386.383	1.659	50	0		GDAAHM
Cc1cc(C)c(NC(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)c(C)c1	ZINC000015881212	221350950	/nfs/dbraw/zinc/35/09/50/221350950.db2.gz	PXSQMQPXYMJGAS-UHFFFAOYSA-N	-1	3	387.465	1.768	50	0		GDAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCCc1ccc(OC(F)F)cc1	ZINC000018206707	221389895	/nfs/dbraw/zinc/38/98/95/221389895.db2.gz	HJYVLJCHNMEJOQ-UHFFFAOYSA-N	-1	3	389.358	1.650	50	0		GDAAHM
O=C([O-])[C@@H](CC(=O)NCc1ccccc1)CN1CCN(c2ccccn2)CC1	ZINC000061721080	136156080	/nfs/dbraw/zinc/15/60/80/136156080.db2.gz	CKKHALXATJZLDE-SFHVURJKSA-N	-1	3	382.464	1.611	50	0		GDAAHM
Cc1cc(=O)c([O-])c(CN2CCN(c3ncc(Br)cn3)CC2)o1	ZINC000071281466	136165488	/nfs/dbraw/zinc/16/54/88/136165488.db2.gz	MQKPYERTZVHBMC-UHFFFAOYSA-N	-1	3	381.230	1.529	50	0		GDAAHM
O=C(c1cnc[n-]c1=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1	ZINC000072149802	136167006	/nfs/dbraw/zinc/16/70/06/136167006.db2.gz	XUWATUWKULYQLT-OAHLLOKOSA-N	-1	3	385.443	1.336	50	0		GDAAHM
CC(C)CCCN1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(C)C[C@@H]32)C1=O	ZINC000095346236	136177951	/nfs/dbraw/zinc/17/79/51/136177951.db2.gz	LLLWVNPDJDXZOW-XMSQKQJNSA-N	-1	3	398.507	1.864	50	0		GDAAHM
O=C([O-])c1cc(S(=O)(=O)NCCN2CCCCC2)c(Br)o1	ZINC000055329790	222020595	/nfs/dbraw/zinc/02/05/95/222020595.db2.gz	NGCQLTVDFRRWEV-UHFFFAOYSA-N	-1	3	381.248	1.505	50	0		GDAAHM
NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1	ZINC000060165914	222058136	/nfs/dbraw/zinc/05/81/36/222058136.db2.gz	SHBCKUFHLIARIZ-UHFFFAOYSA-N	-1	3	378.801	1.215	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]1C[N@H+](CC1CCC1)C2	ZINC000096179632	222395398	/nfs/dbraw/zinc/39/53/98/222395398.db2.gz	LREGAECZNSRHQU-YLJYHZDGSA-N	-1	3	382.468	1.485	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]1C[N@@H+](CC1CCC1)C2	ZINC000096179632	222395401	/nfs/dbraw/zinc/39/54/01/222395401.db2.gz	LREGAECZNSRHQU-YLJYHZDGSA-N	-1	3	382.468	1.485	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]1C[N@H+](CC1CCC1)C2	ZINC000096179632	222395404	/nfs/dbraw/zinc/39/54/04/222395404.db2.gz	LREGAECZNSRHQU-YLJYHZDGSA-N	-1	3	382.468	1.485	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]1C[N@@H+](CC1CCC1)C2	ZINC000096179632	222395407	/nfs/dbraw/zinc/39/54/07/222395407.db2.gz	LREGAECZNSRHQU-YLJYHZDGSA-N	-1	3	382.468	1.485	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C	ZINC000012810003	520973235	/nfs/dbraw/zinc/97/32/35/520973235.db2.gz	KQAKZHNKXIWONO-LBPRGKRZSA-N	-1	3	378.410	1.692	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C	ZINC000012810003	520973242	/nfs/dbraw/zinc/97/32/42/520973242.db2.gz	KQAKZHNKXIWONO-LBPRGKRZSA-N	-1	3	378.410	1.692	50	0		GDAAHM
Cc1cccc(-n2nc(COc3ccccc3)nc2CN2CC(=O)[N-]C2=O)n1	ZINC000097546525	570245673	/nfs/dbraw/zinc/24/56/73/570245673.db2.gz	SQBIXBFMFJJIIW-UHFFFAOYSA-N	-1	3	378.392	1.602	50	0		GDAAHM
COc1cccc(N2CCN(C(=O)c3ccccc3-c3nnn[n-]3)CC2=O)c1	ZINC000020855825	570282396	/nfs/dbraw/zinc/28/23/96/570282396.db2.gz	RSQKJGSUBPMHHX-UHFFFAOYSA-N	-1	3	378.392	1.364	50	0		GDAAHM
COc1cccc(N2CCN(C(=O)c3ccccc3-c3nn[n-]n3)CC2=O)c1	ZINC000020855825	570282397	/nfs/dbraw/zinc/28/23/97/570282397.db2.gz	RSQKJGSUBPMHHX-UHFFFAOYSA-N	-1	3	378.392	1.364	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(N2CCOCC2)nc1	ZINC000022188273	570306780	/nfs/dbraw/zinc/30/67/80/570306780.db2.gz	RCPPNWCICPOZBA-UHFFFAOYSA-N	-1	3	396.494	1.287	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1cc(-c2ccncc2)n(C)n1	ZINC000090607109	570382687	/nfs/dbraw/zinc/38/26/87/570382687.db2.gz	JYMRVVOFPTVRAY-UHFFFAOYSA-N	-1	3	392.462	1.809	50	0		GDAAHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2oc1=O	ZINC000004809414	570407104	/nfs/dbraw/zinc/40/71/04/570407104.db2.gz	XTQYJRZEAFCONU-UHFFFAOYSA-N	-1	3	389.433	1.769	50	0		GDAAHM
COC(=O)c1cnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)s1	ZINC000029029068	570467719	/nfs/dbraw/zinc/46/77/19/570467719.db2.gz	FTVPRYOQTNCZEO-UHFFFAOYSA-N	-1	3	399.450	1.950	50	0		GDAAHM
COc1cc(N2C[C@@H](C(=O)[N-]C3=NCCS3)CC2=O)cc(OC)c1OC	ZINC000030805951	570496588	/nfs/dbraw/zinc/49/65/88/570496588.db2.gz	ASZPASNWEHNQEM-JTQLQIEISA-N	-1	3	379.438	1.284	50	0		GDAAHM
CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCc1cccc(OC)c1	ZINC000005251677	570528478	/nfs/dbraw/zinc/52/84/78/570528478.db2.gz	JRMGLMAMTIGUPC-UHFFFAOYSA-N	-1	3	391.449	1.672	50	0		GDAAHM
CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc2c(c1)OCO2	ZINC000005251664	570528506	/nfs/dbraw/zinc/52/85/06/570528506.db2.gz	GOEBEZHPZPZUAN-UHFFFAOYSA-N	-1	3	391.405	1.715	50	0		GDAAHM
C[C@@H](OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O)C(=O)NC1CC1	ZINC000007093500	570788043	/nfs/dbraw/zinc/78/80/43/570788043.db2.gz	DFSSWVCHQAOOJO-MLCYQJTMSA-N	-1	3	391.449	1.201	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCN1CCN(c2cccc(C)c2)CC1	ZINC000031584647	570817026	/nfs/dbraw/zinc/81/70/26/570817026.db2.gz	ZYGUPFXNTVQJFV-UHFFFAOYSA-N	-1	3	378.498	1.700	50	0		GDAAHM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cn3ccnc3C)c2)co1	ZINC000089735785	570910628	/nfs/dbraw/zinc/91/06/28/570910628.db2.gz	HXGZVJJJLQTQPV-UHFFFAOYSA-N	-1	3	388.449	1.671	50	0		GDAAHM
O=C([O-])[C@H]1CCCN(C2CCN(CCS(=O)(=O)c3ccccc3)CC2)C1	ZINC000534660588	570915556	/nfs/dbraw/zinc/91/55/56/570915556.db2.gz	YQDNSXVTSUKLPO-INIZCTEOSA-N	-1	3	380.510	1.721	50	0		GDAAHM
CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000023137464	570916583	/nfs/dbraw/zinc/91/65/83/570916583.db2.gz	GKIANSHIQNJPSU-UHFFFAOYSA-N	-1	3	391.449	1.777	50	0		GDAAHM
Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccc(C(F)(F)F)cc3)c(=O)[n-]c21	ZINC000585152502	570985734	/nfs/dbraw/zinc/98/57/34/570985734.db2.gz	RRAOGJVHWACTCS-POHAHGRESA-N	-1	3	380.282	1.797	50	0		GDAAHM
O=C(c1ccccc1-c1nnn[n-]1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2	ZINC000091416415	571006482	/nfs/dbraw/zinc/00/64/82/571006482.db2.gz	YSTWPXZVUSSGPU-UONOGXRCSA-N	-1	3	376.424	1.398	50	0		GDAAHM
O=C(c1ccccc1-c1nn[n-]n1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2	ZINC000091416415	571006488	/nfs/dbraw/zinc/00/64/88/571006488.db2.gz	YSTWPXZVUSSGPU-UONOGXRCSA-N	-1	3	376.424	1.398	50	0		GDAAHM
Cc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c(C)o1	ZINC000091768952	571029896	/nfs/dbraw/zinc/02/98/96/571029896.db2.gz	SVSDOWXVEFBRSU-AEFFLSMTSA-N	-1	3	377.485	1.839	50	0		GDAAHM
CCc1cc([C@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)on1	ZINC000067803282	677676405	/nfs/dbraw/zinc/67/64/05/677676405.db2.gz	WWNBDDVLUOHADI-QMMMGPOBSA-N	-1	3	385.467	1.682	50	0		GDAAHM
CCc1cc([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)on1	ZINC000067803280	677676412	/nfs/dbraw/zinc/67/64/12/677676412.db2.gz	WWNBDDVLUOHADI-MRVPVSSYSA-N	-1	3	385.467	1.682	50	0		GDAAHM
COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OS(C)(=O)=O	ZINC000020895597	530570015	/nfs/dbraw/zinc/57/00/15/530570015.db2.gz	SDJXRWLTLRJTQS-CYBMUJFWSA-N	-1	3	387.439	1.035	50	0		GDAAHM
CCCn1c(=O)[n-]nc1SCCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000021741275	530571309	/nfs/dbraw/zinc/57/13/09/530571309.db2.gz	ULEUCAKHIXRQOX-UHFFFAOYSA-N	-1	3	386.499	1.815	50	0		GDAAHM
CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CCCc2ccccc21	ZINC000029258408	530594448	/nfs/dbraw/zinc/59/44/48/530594448.db2.gz	BPMNHYSFWZKQKA-AWEZNQCLSA-N	-1	3	392.253	1.835	50	0		GDAAHM
C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1Cl	ZINC000032945043	530610664	/nfs/dbraw/zinc/61/06/64/530610664.db2.gz	MSPDVWLTRVFADG-UHFFFAOYSA-N	-1	3	387.801	1.340	50	0		GDAAHM
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1	ZINC000009596748	221086382	/nfs/dbraw/zinc/08/63/82/221086382.db2.gz	OXOBJQPTELIDDK-UHFFFAOYSA-N	-1	3	398.448	1.904	50	0		GDAAHM
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1	ZINC000009596748	221086386	/nfs/dbraw/zinc/08/63/86/221086386.db2.gz	OXOBJQPTELIDDK-UHFFFAOYSA-N	-1	3	398.448	1.904	50	0		GDAAHM
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000010392673	221103103	/nfs/dbraw/zinc/10/31/03/221103103.db2.gz	NLVOOZKQBNFDBS-UHFFFAOYSA-N	-1	3	386.433	1.567	50	0		GDAAHM
Cc1cc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)ccn1	ZINC000011906072	221136070	/nfs/dbraw/zinc/13/60/70/221136070.db2.gz	SBPXYUDUJFEIGW-UHFFFAOYSA-N	-1	3	395.462	1.566	50	0		GDAAHM
CCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[n-]c(=O)n2-c1ccccc1	ZINC000012390202	221189040	/nfs/dbraw/zinc/18/90/40/221189040.db2.gz	NYZBFZFETBBOHV-INIZCTEOSA-N	-1	3	396.325	1.152	50	0		GDAAHM
O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000014181108	221302519	/nfs/dbraw/zinc/30/25/19/221302519.db2.gz	URMUHYUKFXEMCZ-UHFFFAOYSA-N	-1	3	392.419	1.553	50	0		GDAAHM
O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000014181108	221302521	/nfs/dbraw/zinc/30/25/21/221302521.db2.gz	URMUHYUKFXEMCZ-UHFFFAOYSA-N	-1	3	392.419	1.553	50	0		GDAAHM
CNc1nc(C)cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1	ZINC000095391927	136178859	/nfs/dbraw/zinc/17/88/59/136178859.db2.gz	RJTWFDDUNSZEKH-CVEARBPZSA-N	-1	3	376.505	1.134	50	0		GDAAHM
O=c1[n-]c(N2CCN(CC(F)(F)F)CC2)nc2c1Cc1ccccc1OC2	ZINC000095499329	136179665	/nfs/dbraw/zinc/17/96/65/136179665.db2.gz	JCLAQTRLRGSHRZ-UHFFFAOYSA-N	-1	3	380.370	1.937	50	0		GDAAHM
O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)N1	ZINC000054535483	222014245	/nfs/dbraw/zinc/01/42/45/222014245.db2.gz	YQZHVAGHZIVVLY-UHFFFAOYSA-N	-1	3	378.237	1.356	50	0		GDAAHM
Cc1cccc([C@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)n1	ZINC000067690381	222155938	/nfs/dbraw/zinc/15/59/38/222155938.db2.gz	QFSMAYUDAOQIOT-JTQLQIEISA-N	-1	3	381.479	1.835	50	0		GDAAHM
CCC1(CO)CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1	ZINC000067852078	222163407	/nfs/dbraw/zinc/16/34/07/222163407.db2.gz	VXYRNOOJGWSINT-UHFFFAOYSA-N	-1	3	388.511	1.265	50	0		GDAAHM
COc1cccc(CN2C[C@H](C(=O)NCc3ccncc3)C[C@H](C(=O)[O-])C2)c1	ZINC000071754161	222190772	/nfs/dbraw/zinc/19/07/72/222190772.db2.gz	UEKQWXVQDAYRIO-MSOLQXFVSA-N	-1	3	383.448	1.929	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@@]1(O)CCCN(CC2CCC2)C1=O	ZINC000067975639	222171149	/nfs/dbraw/zinc/17/11/49/222171149.db2.gz	XMYFQQMUCVXEGI-IBGZPJMESA-N	-1	3	390.509	1.982	50	0		GDAAHM
Cc1nnc(CCC(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)[nH]1	ZINC000095510640	222342798	/nfs/dbraw/zinc/34/27/98/222342798.db2.gz	ZECSZXULOIRBDA-CYBMUJFWSA-N	-1	3	397.526	1.324	50	0		GDAAHM
COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(C(=O)OC)cc2)o1	ZINC000096114127	222382431	/nfs/dbraw/zinc/38/24/31/222382431.db2.gz	DVQDGPDRRIGWRB-AWEZNQCLSA-N	-1	3	376.361	1.973	50	0	biogenic	GDAAHM
Cn1ncc2c1CCC[C@H]2NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000097000408	222433419	/nfs/dbraw/zinc/43/34/19/222433419.db2.gz	NNZOMVUTPCYYTD-SNVBAGLBSA-N	-1	3	388.902	1.607	50	0		GDAAHM
COc1cccc([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1OC	ZINC000106937949	222509711	/nfs/dbraw/zinc/50/97/11/222509711.db2.gz	QCWJMPPMCUCZPH-QAETUUGQSA-N	-1	3	396.399	1.607	50	0		GDAAHM
O=C(NCCCN1CCOCC1)C(=C([O-])c1ccccc1)n1ccccc1=O	ZINC000019907233	570229264	/nfs/dbraw/zinc/22/92/64/570229264.db2.gz	TXYILHDEICKJMM-IBGZPJMESA-N	-1	3	383.448	1.111	50	0		GDAAHM
Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)N1CCc2ccc(O)cc2C1	ZINC000048341158	570239628	/nfs/dbraw/zinc/23/96/28/570239628.db2.gz	IKJHCOVXZCAEAI-UHFFFAOYSA-N	-1	3	382.420	1.086	50	0		GDAAHM
COc1ccc(OC)c([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c1	ZINC000020131143	570241667	/nfs/dbraw/zinc/24/16/67/570241667.db2.gz	OVGMYDZPIPGWKX-XSLAGTTESA-N	-1	3	396.399	1.607	50	0		GDAAHM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4ccccc43)c2=O)cc1	ZINC000020150139	570244605	/nfs/dbraw/zinc/24/46/05/570244605.db2.gz	LNQXKVBKZDMKAO-GOSISDBHSA-N	-1	3	379.416	1.865	50	0		GDAAHM
CCOc1ccc(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[nH]c2=O)cc1	ZINC000020150139	570244610	/nfs/dbraw/zinc/24/46/10/570244610.db2.gz	LNQXKVBKZDMKAO-GOSISDBHSA-N	-1	3	379.416	1.865	50	0		GDAAHM
O=C(NC[C@H]1CCCCO1)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1	ZINC000215108908	570285688	/nfs/dbraw/zinc/28/56/88/570285688.db2.gz	WDWQIGOQWAVLMF-GFCCVEGCSA-N	-1	3	380.388	1.826	50	0		GDAAHM
C[C@H]1CN(C(C)(C)CNC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)C[C@H](C)O1	ZINC000021525731	570292104	/nfs/dbraw/zinc/29/21/04/570292104.db2.gz	LGKPZHANFHLMCJ-KBPBESRZSA-N	-1	3	388.468	1.106	50	0		GDAAHM
Cc1ccc2cc(CN3CCN(C)[C@@H](C(=O)[O-])C3)c(N3CCOCC3)nc2c1	ZINC000216462188	570302015	/nfs/dbraw/zinc/30/20/15/570302015.db2.gz	GSUWOYOCGIPFOW-LJQANCHMSA-N	-1	3	384.480	1.580	50	0		GDAAHM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1	ZINC000222364440	570408959	/nfs/dbraw/zinc/40/89/59/570408959.db2.gz	YAQUNPPUQFPBRW-SNVBAGLBSA-N	-1	3	375.429	1.933	50	0		GDAAHM
O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1CCOCC1	ZINC000005095431	570416779	/nfs/dbraw/zinc/41/67/79/570416779.db2.gz	RJKXUWOSHMANAB-UHFFFAOYSA-N	-1	3	389.412	1.199	50	0		GDAAHM
Cn1c2[nH]c(=S)n(C[C@@H](O)COc3cccc4ccccc43)c2c(=O)[n-]c1=O	ZINC000100699042	570432797	/nfs/dbraw/zinc/43/27/97/570432797.db2.gz	XEJQFHBXGOLXPU-GFCCVEGCSA-N	-1	3	398.444	1.305	50	0		GDAAHM
COC(=O)c1[n-]c(CN2C(=O)c3ccccc3S2(=O)=O)c(C(=O)OC)c1C	ZINC000006602660	570492273	/nfs/dbraw/zinc/49/22/73/570492273.db2.gz	IFZXRWCMKPSOGF-UHFFFAOYSA-N	-1	3	392.389	1.241	50	0		GDAAHM
CCN(CC)C(=O)NC1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1	ZINC000169893719	570741096	/nfs/dbraw/zinc/74/10/96/570741096.db2.gz	FPVXOFHSKUVYMB-UHFFFAOYSA-N	-1	3	396.513	1.714	50	0		GDAAHM
CCOC(=O)CCNC(=O)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1	ZINC000065260261	570762311	/nfs/dbraw/zinc/76/23/11/570762311.db2.gz	XJRKWAPFMKAQSC-UHFFFAOYSA-N	-1	3	388.399	1.597	50	0		GDAAHM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cc(OC)cc(OC)c3)C2=O)c1	ZINC000007408006	570838148	/nfs/dbraw/zinc/83/81/48/570838148.db2.gz	HLWHJYBDSBYSLJ-FQEVSTJZSA-N	-1	3	399.403	1.824	50	0		GDAAHM
COc1ccc(C2=NOC3=C([O-])N(c4ccc5c(c4)OCO5)C(=O)[C@@H]23)cc1OC	ZINC000102553404	570853994	/nfs/dbraw/zinc/85/39/94/570853994.db2.gz	KBYHOWUYOATSFP-WMZOPIPTSA-N	-1	3	396.355	1.725	50	0		GDAAHM
CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(=O)n2nc(N)[n-]c2n1	ZINC000103778187	570889098	/nfs/dbraw/zinc/88/90/98/570889098.db2.gz	DPDQFKPIQWRZDP-UHFFFAOYSA-N	-1	3	396.238	1.377	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCC1(c2ccccc2)CC1	ZINC000071794665	570893714	/nfs/dbraw/zinc/89/37/14/570893714.db2.gz	HIVVNGVJGQYIFE-UHFFFAOYSA-N	-1	3	387.461	1.805	50	0		GDAAHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000089942183	570920164	/nfs/dbraw/zinc/92/01/64/570920164.db2.gz	KCUNMACGKJLAJF-SZMVWBNQSA-N	-1	3	398.525	1.395	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)c3cccn3C3CC3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091425261	571007014	/nfs/dbraw/zinc/00/70/14/571007014.db2.gz	NVRDFJSPPDDFAW-AEFFLSMTSA-N	-1	3	388.512	1.766	50	0		GDAAHM
Cc1ccc2nc([C@H](C)NC(=O)c3cnc(Cn4cncn4)[n-]c3=O)[nH]c2c1	ZINC000091445083	571008843	/nfs/dbraw/zinc/00/88/43/571008843.db2.gz	PIRIQKOTHUTEQP-NSHDSACASA-N	-1	3	378.396	1.498	50	0		GDAAHM
O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1	ZINC000091907034	571035681	/nfs/dbraw/zinc/03/56/81/571035681.db2.gz	MQIIGGGZMWJRHG-IRXDYDNUSA-N	-1	3	383.452	1.306	50	0		GDAAHM
Cc1ccccc1CC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1	ZINC000092002135	571040285	/nfs/dbraw/zinc/04/02/85/571040285.db2.gz	IFAVETKNKNKPMS-UXHICEINSA-N	-1	3	387.524	1.867	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)CCc3ccccc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000095377855	571065317	/nfs/dbraw/zinc/06/53/17/571065317.db2.gz	DNPQCKLZPMGGMF-UXHICEINSA-N	-1	3	387.524	1.949	50	0		GDAAHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)C(=O)N(C)C	ZINC000032925437	530610692	/nfs/dbraw/zinc/61/06/92/530610692.db2.gz	BAHIBQYBTBFZSS-SECBINFHSA-N	-1	3	379.276	1.603	50	0		GDAAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)c1nc(N2CCOCC2)ncc1Cl	ZINC000042128157	530627357	/nfs/dbraw/zinc/62/73/57/530627357.db2.gz	XLYYJANHUQPOHT-UHFFFAOYSA-N	-1	3	377.714	1.356	50	0		GDAAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)c1nc(N2CCOCC2)ncc1Cl	ZINC000042128157	530627360	/nfs/dbraw/zinc/62/73/60/530627360.db2.gz	XLYYJANHUQPOHT-UHFFFAOYSA-N	-1	3	377.714	1.356	50	0		GDAAHM
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1nc(N2CCOCC2)ncc1Cl	ZINC000042128157	530627361	/nfs/dbraw/zinc/62/73/61/530627361.db2.gz	XLYYJANHUQPOHT-UHFFFAOYSA-N	-1	3	377.714	1.356	50	0		GDAAHM
Cc1nnsc1C(=O)N1CCC(C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000043958047	530636300	/nfs/dbraw/zinc/63/63/00/530636300.db2.gz	WEVWVUZQWMDDAC-UHFFFAOYSA-N	-1	3	386.524	1.739	50	0		GDAAHM
Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)n1	ZINC000253535531	222744233	/nfs/dbraw/zinc/74/42/33/222744233.db2.gz	ABVBFZLAXYECTQ-PHIMTYICSA-N	-1	3	376.848	1.845	50	0		GDAAHM
CCc1nnc(C[N-]S(=O)(=O)c2cccc(C(=O)NC3CCC3)c2)s1	ZINC000095360087	530816965	/nfs/dbraw/zinc/81/69/65/530816965.db2.gz	VNAKSHMFOTUWOR-UHFFFAOYSA-N	-1	3	380.495	1.861	50	0		GDAAHM
CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1	ZINC000252587389	531091497	/nfs/dbraw/zinc/09/14/97/531091497.db2.gz	XWJUPOBQKBPMOT-UKRRQHHQSA-N	-1	3	390.527	1.762	50	0		GDAAHM
COCCCn1cnnc1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000670464477	531833080	/nfs/dbraw/zinc/83/30/80/531833080.db2.gz	QMQXGAPTIWSGSR-UHFFFAOYSA-N	-1	3	378.376	1.812	50	0		GDAAHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000001127057	212220412	/nfs/dbraw/zinc/22/04/12/212220412.db2.gz	KTWBNQWHIGEPHF-UHFFFAOYSA-N	-1	3	378.406	1.998	50	0		GDAAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1	ZINC000001102530	212216079	/nfs/dbraw/zinc/21/60/79/212216079.db2.gz	XQZLDVOHSXZJMA-UHFFFAOYSA-N	-1	3	382.463	1.818	50	0		GDAAHM
Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cnn(-c4ccccc4)n3)CC2)n1	ZINC000253537699	212137561	/nfs/dbraw/zinc/13/75/61/212137561.db2.gz	LGSAOROGRUWROE-UHFFFAOYSA-N	-1	3	379.424	1.470	50	0		GDAAHM
Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1	ZINC000023431538	212105835	/nfs/dbraw/zinc/10/58/35/212105835.db2.gz	QPCKWBNYEJBHIM-INIZCTEOSA-N	-1	3	386.500	1.336	50	0		GDAAHM
CCCn1c(=O)[n-]c(=O)c2c(C(=O)OC)cc(-c3ccc4c(c3)OCO4)nc21	ZINC000008345986	221038811	/nfs/dbraw/zinc/03/88/11/221038811.db2.gz	AWUDIVJAKLSGIR-UHFFFAOYSA-N	-1	3	383.360	1.677	50	0		GDAAHM
O=c1ccc(-c2ccco2)nn1CC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000008954728	221065266	/nfs/dbraw/zinc/06/52/66/221065266.db2.gz	RRNAEDFDJZBFEZ-UHFFFAOYSA-N	-1	3	381.360	1.760	50	0		GDAAHM
COc1cc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc(OC)c1OC	ZINC000008600875	221045256	/nfs/dbraw/zinc/04/52/56/221045256.db2.gz	PQGATVPWYISCSA-UHFFFAOYSA-N	-1	3	386.451	1.691	50	0		GDAAHM
Nc1nc(N)c(-c2c(-c3ccc(Cl)s3)[nH]c3nc(N)[nH]c(=O)c32)c(=O)[n-]1	ZINC000012375013	221186510	/nfs/dbraw/zinc/18/65/10/221186510.db2.gz	GBMXCWFYVVOJAZ-UHFFFAOYSA-N	-1	3	390.816	1.130	50	0		GDAAHM
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c([O-])c1	ZINC000017410592	221383842	/nfs/dbraw/zinc/38/38/42/221383842.db2.gz	BJZAYKKYSRNSPI-UHFFFAOYSA-N	-1	3	392.433	1.731	50	0		GDAAHM
CC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CCC(=O)N1Cc1ccccc1	ZINC000071415777	222184019	/nfs/dbraw/zinc/18/40/19/222184019.db2.gz	BMTMZKSBSGYKBX-GOSISDBHSA-N	-1	3	396.491	1.969	50	0		GDAAHM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccccc1OCCO)CC2	ZINC000082109415	222308685	/nfs/dbraw/zinc/30/86/85/222308685.db2.gz	VDIOHUYZWUYIOK-QGZVFWFLSA-N	-1	3	376.453	1.345	50	0		GDAAHM
CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000095531402	222355225	/nfs/dbraw/zinc/35/52/25/222355225.db2.gz	DXEQHURHSPSITE-INIZCTEOSA-N	-1	3	387.484	1.936	50	0		GDAAHM
Cc1c(C(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)sc2[nH]c(C)nc(=O)c12	ZINC000097259211	570239957	/nfs/dbraw/zinc/23/99/57/570239957.db2.gz	OISXPDZPWQJDQT-UHFFFAOYSA-N	-1	3	385.449	1.705	50	0		GDAAHM
Cn1ccnc1CN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)C1CC1	ZINC000048362677	570244752	/nfs/dbraw/zinc/24/47/52/570244752.db2.gz	KQKKVIPPPIXOJH-UHFFFAOYSA-N	-1	3	379.420	1.183	50	0		GDAAHM
O=C1COc2cc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c(Cl)cc2N1	ZINC000020491820	570263032	/nfs/dbraw/zinc/26/30/32/570263032.db2.gz	VGKXJSQIYPSZSK-UHFFFAOYSA-N	-1	3	396.808	1.878	50	0		GDAAHM
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)[N-]C3=NCCS3)CC2)cc1	ZINC000006852203	570291020	/nfs/dbraw/zinc/29/10/20/570291020.db2.gz	BUJSONJJSWBWEE-UHFFFAOYSA-N	-1	3	397.522	1.705	50	0		GDAAHM
Cc1cc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C/c2ccc(C)cc2)no1	ZINC000007984117	570349367	/nfs/dbraw/zinc/34/93/67/570349367.db2.gz	PJAMWZPKFOTXSF-BQYQJAHWSA-N	-1	3	393.421	1.363	50	0		GDAAHM
CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269078624	570523580	/nfs/dbraw/zinc/52/35/80/570523580.db2.gz	BTMDROSMRHQBQR-RCCFBDPRSA-N	-1	3	387.480	1.131	50	0		GDAAHM
O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC[C@@H](O)C3)cc2)[n-]1	ZINC000048135024	570655708	/nfs/dbraw/zinc/65/57/08/570655708.db2.gz	PSVMGSDNUGEVIC-LJQANCHMSA-N	-1	3	379.464	1.833	50	0		GDAAHM
COc1ccc2[n-]cc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)c(=O)c2c1	ZINC000253535560	570733529	/nfs/dbraw/zinc/73/35/29/570733529.db2.gz	DORKTELXHMOAAZ-SUFBMKPHSA-N	-1	3	382.420	1.925	50	0		GDAAHM
O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl	ZINC000089878694	570918277	/nfs/dbraw/zinc/91/82/77/570918277.db2.gz	AHINGZAYHBVNCV-UHFFFAOYSA-N	-1	3	397.822	1.847	50	0		GDAAHM
CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000089942185	570920140	/nfs/dbraw/zinc/92/01/40/570920140.db2.gz	KCUNMACGKJLAJF-RYQLBKOJSA-N	-1	3	398.525	1.395	50	0		GDAAHM
O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000091364531	571004895	/nfs/dbraw/zinc/00/48/95/571004895.db2.gz	AZBRNOWMSHHMKQ-UHFFFAOYSA-N	-1	3	377.404	1.982	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2	ZINC000091818938	571031593	/nfs/dbraw/zinc/03/15/93/571031593.db2.gz	UWAXMQGDZAZJEX-XJKSGUPXSA-N	-1	3	376.420	1.730	50	0		GDAAHM
CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(N)=O)c(Cl)cc1Cl	ZINC000002632254	530532774	/nfs/dbraw/zinc/53/27/74/530532774.db2.gz	SEEJJXILAVOUNX-UHFFFAOYSA-N	-1	3	383.253	1.570	50	0		GDAAHM
CCN1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)CC1	ZINC000019991808	530568918	/nfs/dbraw/zinc/56/89/18/530568918.db2.gz	CUUGKLSWWIJDSZ-GFCCVEGCSA-N	-1	3	389.905	1.180	50	0		GDAAHM
CCN1CCN([C@H](C[N-]S(=O)(=O)c2cccs2)c2cccnc2)CC1	ZINC000022457213	530572881	/nfs/dbraw/zinc/57/28/81/530572881.db2.gz	ROFVIGVNDRSCAJ-MRXNPFEDSA-N	-1	3	380.539	1.800	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCCC2)O1	ZINC000049504206	530674122	/nfs/dbraw/zinc/67/41/22/530674122.db2.gz	PBABFTHHGGDLIM-LLVKDONJSA-N	-1	3	375.468	1.889	50	0		GDAAHM
CCOCC1CCN(S(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)CC1	ZINC000067560308	530776886	/nfs/dbraw/zinc/77/68/86/530776886.db2.gz	XWJCGQRINHFICF-UHFFFAOYSA-N	-1	3	388.511	1.529	50	0		GDAAHM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc3c(s2)CCCC3)c(C)o1	ZINC000084028472	530808999	/nfs/dbraw/zinc/80/89/99/530808999.db2.gz	YUZHGOCPJGMHSF-UHFFFAOYSA-N	-1	3	383.495	1.804	50	0		GDAAHM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1OCC1CCC1	ZINC000222386063	531028340	/nfs/dbraw/zinc/02/83/40/531028340.db2.gz	SYWJQJZCILOZJB-CHWSQXEVSA-N	-1	3	377.894	1.634	50	0		GDAAHM
O=C(NCc1nnc2n1CCCC2)c1cc(Br)cc2nn[n-]c21	ZINC000225726447	531030784	/nfs/dbraw/zinc/03/07/84/531030784.db2.gz	PBJOSICRVYGNQX-UHFFFAOYSA-N	-1	3	376.218	1.578	50	0		GDAAHM
O=C(NCc1nnc2n1CCCC2)c1cc(Br)cc2[n-]nnc21	ZINC000225726447	531030787	/nfs/dbraw/zinc/03/07/87/531030787.db2.gz	PBJOSICRVYGNQX-UHFFFAOYSA-N	-1	3	376.218	1.578	50	0		GDAAHM
O=C(NCc1nnc2n1CCCC2)c1cc(Br)cc2n[n-]nc21	ZINC000225726447	531030791	/nfs/dbraw/zinc/03/07/91/531030791.db2.gz	PBJOSICRVYGNQX-UHFFFAOYSA-N	-1	3	376.218	1.578	50	0		GDAAHM
COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CCN1CCC[C@@H](CO)C1	ZINC000670460672	531833301	/nfs/dbraw/zinc/83/33/01/531833301.db2.gz	YWPSKCQBCNWGHL-LLVKDONJSA-N	-1	3	397.324	1.985	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(C)c(C)c2)S1	ZINC000000859560	212189959	/nfs/dbraw/zinc/18/99/59/212189959.db2.gz	LDHQFOMSVYYZTI-MRXNPFEDSA-N	-1	3	383.495	1.796	50	0		GDAAHM
COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(OC)c1OC(C)=O	ZINC000000801822	212182600	/nfs/dbraw/zinc/18/26/00/212182600.db2.gz	LXTUOSHMYZZCSV-OAHLLOKOSA-N	-1	3	381.410	1.630	50	0		GDAAHM
COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000226839011	212115356	/nfs/dbraw/zinc/11/53/56/212115356.db2.gz	NHWVTBNIGQQOCR-GXTWGEPZSA-N	-1	3	377.784	1.022	50	0		GDAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000008849419	221060662	/nfs/dbraw/zinc/06/06/62/221060662.db2.gz	WLDCKURDOWHNEB-OAHLLOKOSA-N	-1	3	399.538	1.132	50	0		GDAAHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000012409646	221190551	/nfs/dbraw/zinc/19/05/51/221190551.db2.gz	VMEWPEMHJQLMGV-CQSZACIVSA-N	-1	3	397.435	1.833	50	0		GDAAHM
O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1nc2ccsc2c(=O)[n-]1	ZINC000012594950	221212763	/nfs/dbraw/zinc/21/27/63/221212763.db2.gz	MWEIMXIQTCLCNV-UHFFFAOYSA-N	-1	3	390.421	1.283	50	0		GDAAHM
Cc1ccc([O-])c(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1	ZINC000012775479	221230476	/nfs/dbraw/zinc/23/04/76/221230476.db2.gz	NTLLYJUVFSXVAL-UHFFFAOYSA-N	-1	3	390.461	1.652	50	0		GDAAHM
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1[O-]	ZINC000012794130	221232443	/nfs/dbraw/zinc/23/24/43/221232443.db2.gz	HCKPWWSIABFQCK-UHFFFAOYSA-N	-1	3	382.463	1.405	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1	ZINC000012990782	221253821	/nfs/dbraw/zinc/25/38/21/221253821.db2.gz	MITSGLMTDFWNFP-UHFFFAOYSA-N	-1	3	377.374	1.827	50	0		GDAAHM
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCC(C(N)=O)CC3)cc2O1	ZINC000013692089	221281948	/nfs/dbraw/zinc/28/19/48/221281948.db2.gz	DECZAXRPYOYEFL-UHFFFAOYSA-N	-1	3	376.409	1.239	50	0		GDAAHM
O=C([N-]n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1ccncc1	ZINC000013719092	221283985	/nfs/dbraw/zinc/28/39/85/221283985.db2.gz	RUQBOBJKADGCEF-UHFFFAOYSA-N	-1	3	375.270	1.237	50	0		GDAAHM
CCN(CC)S(=O)(=O)N1CCN(Cn2[n-]c(C(C)(C)C)nc2=S)CC1	ZINC000014242736	221307209	/nfs/dbraw/zinc/30/72/09/221307209.db2.gz	NTKPLZOJEMSUAF-UHFFFAOYSA-N	-1	3	390.579	1.400	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2	ZINC000017320912	221384172	/nfs/dbraw/zinc/38/41/72/221384172.db2.gz	ULWDYFYFLZCTPF-NSHDSACASA-N	-1	3	380.397	1.538	50	0		GDAAHM
Cc1cnc(C)nc1N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[n-]c2=O)C1	ZINC000071763681	136166401	/nfs/dbraw/zinc/16/64/01/136166401.db2.gz	QIUHPWOUTMURHS-UHFFFAOYSA-N	-1	3	376.420	1.505	50	0		GDAAHM
C[C@@]1(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)NC(=O)[N-]C1=O	ZINC000052663606	222006243	/nfs/dbraw/zinc/00/62/43/222006243.db2.gz	MWWGRJSJWJXJFL-SFHVURJKSA-N	-1	3	393.465	1.427	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1F	ZINC000058299595	222049331	/nfs/dbraw/zinc/04/93/31/222049331.db2.gz	KFEYNBWFNCZRSG-UHFFFAOYSA-N	-1	3	376.331	1.951	50	0		GDAAHM
Cc1noc(C)c1NC(=O)N1CCC([C@]2(c3cccnc3)NC(=O)[N-]C2=O)CC1	ZINC000067850660	222163556	/nfs/dbraw/zinc/16/35/56/222163556.db2.gz	CAKWAJBLFALCBE-LJQANCHMSA-N	-1	3	398.423	1.665	50	0		GDAAHM
CCc1ccc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)nc1	ZINC000067908844	222168183	/nfs/dbraw/zinc/16/81/83/222168183.db2.gz	YGEQFVYVVOAWRM-UHFFFAOYSA-N	-1	3	381.479	1.528	50	0		GDAAHM
Cn1nc(NC(=O)C[C@H]2NC(=O)[N-]C2=O)c2c1cccc2Oc1cccnc1	ZINC000072479166	222267126	/nfs/dbraw/zinc/26/71/26/222267126.db2.gz	OTDDINJKTMWYGQ-LLVKDONJSA-N	-1	3	380.364	1.297	50	0		GDAAHM
CC(C)CCN1C[C@@]2(CCCN(C(=O)Cc3cc(=O)[n-]c(N)n3)C2)CCC1=O	ZINC000095513322	222341784	/nfs/dbraw/zinc/34/17/84/222341784.db2.gz	UJUXBHACBHBIGY-FQEVSTJZSA-N	-1	3	389.500	1.172	50	0		GDAAHM
COCc1nc(NC(=O)CCc2nc3cc(Br)cnc3[nH]2)n[n-]1	ZINC000079491154	222306236	/nfs/dbraw/zinc/30/62/36/222306236.db2.gz	BEGIZMQYRQJWCN-UHFFFAOYSA-N	-1	3	380.206	1.556	50	0		GDAAHM
O=C(NCCNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2)c1cccnc1	ZINC000095531096	222352725	/nfs/dbraw/zinc/35/27/25/222352725.db2.gz	DMBDCQMOIDEDHL-UHFFFAOYSA-N	-1	3	377.404	1.490	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000096122154	222383765	/nfs/dbraw/zinc/38/37/65/222383765.db2.gz	PENFIBGOVZPRBC-UHFFFAOYSA-N	-1	3	376.825	1.910	50	0		GDAAHM
CN1C[C@H]2CN(S(=O)(=O)CCc3cccc4ccccc43)C[C@@]2(C(=O)[O-])C1	ZINC000096136688	222386528	/nfs/dbraw/zinc/38/65/28/222386528.db2.gz	CMBWSVSWAVILGC-PXNSSMCTSA-N	-1	3	388.489	1.660	50	0		GDAAHM
Cc1cc(CN2C[C@H]3CN(C(=O)Cc4ccsc4)C[C@@]3(C(=O)[O-])C2)on1	ZINC000215441075	570289090	/nfs/dbraw/zinc/28/90/90/570289090.db2.gz	DHLSLNRDHMAEOX-KSSFIOAISA-N	-1	3	375.450	1.632	50	0		GDAAHM
CCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)[N-]c1cc(C)no1	ZINC000014565838	570313400	/nfs/dbraw/zinc/31/34/00/570313400.db2.gz	IUPZMKDVENAIDG-LBPRGKRZSA-N	-1	3	375.381	1.682	50	0		GDAAHM
COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000022625053	570323903	/nfs/dbraw/zinc/32/39/03/570323903.db2.gz	FRSNXJLXLMEFLE-YOEHRIQHSA-N	-1	3	394.468	1.866	50	0		GDAAHM
O=C(Nc1nc[nH]n1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000023140890	570346252	/nfs/dbraw/zinc/34/62/52/570346252.db2.gz	PYDUCBHFVYUBSV-AWEZNQCLSA-N	-1	3	389.412	1.472	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1	ZINC000023153638	570347305	/nfs/dbraw/zinc/34/73/05/570347305.db2.gz	ZYRFFVOZHUONMS-ORAYPTAESA-N	-1	3	377.489	1.137	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1nc(C2CC2)ccc1=O	ZINC000575621607	570370163	/nfs/dbraw/zinc/37/01/63/570370163.db2.gz	ZITZMZQUBDOYOA-UHFFFAOYSA-N	-1	3	383.857	1.761	50	0		GDAAHM
CCOC(=O)c1ccc(N2CCN([C@H](C)C(=O)[N-]c3cc(C)no3)CC2)nc1	ZINC000026140975	570423000	/nfs/dbraw/zinc/42/30/00/570423000.db2.gz	YQOGWWKDWXETAW-CQSZACIVSA-N	-1	3	387.440	1.704	50	0		GDAAHM
COc1cccc([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c1OC	ZINC000248138824	570440774	/nfs/dbraw/zinc/44/07/74/570440774.db2.gz	QCWJMPPMCUCZPH-QZWWFDLISA-N	-1	3	396.399	1.607	50	0		GDAAHM
O=c1cc(CN2CCOCC2)nc(N2CCN(Cc3cccc(F)c3)CC2)[n-]1	ZINC000035925365	570479722	/nfs/dbraw/zinc/47/97/22/570479722.db2.gz	HBAFYTBUYLYAGZ-UHFFFAOYSA-N	-1	3	387.459	1.063	50	0		GDAAHM
COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3cccc(NC(C)=O)c3)C2=O)cc1	ZINC000006970022	570722682	/nfs/dbraw/zinc/72/26/82/570722682.db2.gz	LXNLIVMCLOWAQG-FQEVSTJZSA-N	-1	3	396.403	1.766	50	0		GDAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1	ZINC000036696139	570791884	/nfs/dbraw/zinc/79/18/84/570791884.db2.gz	UIMAJGAQDUKMAB-CQSZACIVSA-N	-1	3	392.481	1.794	50	0		GDAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1	ZINC000036696139	570791888	/nfs/dbraw/zinc/79/18/88/570791888.db2.gz	UIMAJGAQDUKMAB-CQSZACIVSA-N	-1	3	392.481	1.794	50	0		GDAAHM
CCOC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(CO)cc(=O)c1[O-]	ZINC000071283268	570886900	/nfs/dbraw/zinc/88/69/00/570886900.db2.gz	ODJTYACKGZOHQX-CYBMUJFWSA-N	-1	3	378.377	1.940	50	0		GDAAHM
CCn1nc(-c2ccc(C(=O)NCc3cc(=O)[n-]c(C)n3)cc2)nc1N(C)C	ZINC000534653689	570914611	/nfs/dbraw/zinc/91/46/11/570914611.db2.gz	VWNXSRZYLWHTRU-UHFFFAOYSA-N	-1	3	381.440	1.765	50	0		GDAAHM
C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)N(C)C	ZINC000032928244	570940468	/nfs/dbraw/zinc/94/04/68/570940468.db2.gz	DVQVRLLYMYBFQP-GFCCVEGCSA-N	-1	3	393.440	1.833	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCCNC2=O)C1CC1	ZINC000585138559	570950669	/nfs/dbraw/zinc/95/06/69/570950669.db2.gz	AZGITAMCXGDITP-MRVPVSSYSA-N	-1	3	389.271	1.648	50	0		GDAAHM
CN1CCN([C@H]2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091304591	571002847	/nfs/dbraw/zinc/00/28/47/571002847.db2.gz	FZSPKAXAHLDXEI-APWZRJJASA-N	-1	3	385.512	1.866	50	0		GDAAHM
CN1CCN(C(=O)Oc2c3[n-]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1	ZINC000019632839	571022238	/nfs/dbraw/zinc/02/22/38/571022238.db2.gz	GBBSUAFBMRNDJC-MRXNPFEDSA-N	-1	3	388.815	1.568	50	0	world	GDAAHM
Cc1cc(C(=O)NCCc2nc3ccccc3n2C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426544894	231238614	/nfs/dbraw/zinc/23/86/14/231238614.db2.gz	CQFFGZPDOICICJ-UHFFFAOYSA-N	-1	3	392.419	1.202	50	0		GDAAHM
Cn1ncc2c1CCC[C@@H]2NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000097000411	530820254	/nfs/dbraw/zinc/82/02/54/530820254.db2.gz	NNZOMVUTPCYYTD-JTQLQIEISA-N	-1	3	388.902	1.607	50	0		GDAAHM
Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCS(=O)(=O)C3)s2)cs1	ZINC000119245568	530924107	/nfs/dbraw/zinc/92/41/07/530924107.db2.gz	FQSDDECLKLDDIJ-VIFPVBQESA-N	-1	3	378.522	1.645	50	0		GDAAHM
CCSc1nnc(NC(=O)CN2CCC[C@@H](c3cc(=O)[n-]cn3)C2)s1	ZINC000244840383	531056698	/nfs/dbraw/zinc/05/66/98/531056698.db2.gz	UMHIGYSDUAWLKJ-SNVBAGLBSA-N	-1	3	380.499	1.964	50	0		GDAAHM
COc1nc(NC([O-])=NC(=O)c2c(OC)ccc(Cl)c2OC)nc(OC)n1	ZINC000001031304	212207450	/nfs/dbraw/zinc/20/74/50/212207450.db2.gz	WXGFLHQVQULEOL-UHFFFAOYSA-N	-1	3	397.775	1.521	50	0		GDAAHM
COc1nc(NC(=O)[N-]C(=O)c2c(OC)ccc(Cl)c2OC)nc(OC)n1	ZINC000001031304	212207454	/nfs/dbraw/zinc/20/74/54/212207454.db2.gz	WXGFLHQVQULEOL-UHFFFAOYSA-N	-1	3	397.775	1.521	50	0		GDAAHM
CCNC(=O)NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1	ZINC000009052173	212162625	/nfs/dbraw/zinc/16/26/25/212162625.db2.gz	REOLJKUWCUVQBD-SNVBAGLBSA-N	-1	3	386.437	1.847	50	0		GDAAHM
Cc1ccc(-n2ncc3c2nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c3=O)cc1	ZINC000008013386	221024150	/nfs/dbraw/zinc/02/41/50/221024150.db2.gz	QURWIAPIMXTMJX-AWEZNQCLSA-N	-1	3	399.476	1.805	50	0		GDAAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1	ZINC000011858117	221133629	/nfs/dbraw/zinc/13/36/29/221133629.db2.gz	ZBAQRPQYOYLZNB-UHFFFAOYSA-N	-1	3	380.447	1.862	50	0		GDAAHM
Cc1cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)nn1C	ZINC000012443014	221196043	/nfs/dbraw/zinc/19/60/43/221196043.db2.gz	IQFTVPSONYCHFS-UHFFFAOYSA-N	-1	3	390.425	1.281	50	0		GDAAHM
O=C(CCn1cccn1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000014969514	221321637	/nfs/dbraw/zinc/32/16/37/221321637.db2.gz	SOEQILVWFWLLOR-AWEZNQCLSA-N	-1	3	382.511	1.552	50	0		GDAAHM
CCOc1ccc(NC(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1	ZINC000015881221	221351126	/nfs/dbraw/zinc/35/11/26/221351126.db2.gz	GGVHOZSKXIZUBV-UHFFFAOYSA-N	-1	3	389.437	1.241	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)NCc1ccccc1)CN1CCN(c2ccccn2)CC1	ZINC000061721081	136156117	/nfs/dbraw/zinc/15/61/17/136156117.db2.gz	CKKHALXATJZLDE-GOSISDBHSA-N	-1	3	382.464	1.611	50	0		GDAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CC1CCN(c2cnccn2)CC1	ZINC000070923064	136165413	/nfs/dbraw/zinc/16/54/13/136165413.db2.gz	VVSMFXJROOBALB-UHFFFAOYSA-N	-1	3	380.445	1.819	50	0		GDAAHM
Cc1cccc2c1N(S(=O)(=O)c1cnc3c(c1)c(=O)[n-]c(=O)n3C)CCC2	ZINC000089688983	136175706	/nfs/dbraw/zinc/17/57/06/136175706.db2.gz	ANYUCIXBYUGNPO-UHFFFAOYSA-N	-1	3	386.433	1.072	50	0		GDAAHM
CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2c[nH]c(=O)cc2[O-])C1	ZINC000092037351	136177620	/nfs/dbraw/zinc/17/76/20/136177620.db2.gz	NPRVEKSVIZOUNH-CQSZACIVSA-N	-1	3	399.451	1.563	50	0		GDAAHM
CN(C[C@@H]1CCCN1C)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096149510	136184527	/nfs/dbraw/zinc/18/45/27/136184527.db2.gz	OHRBIGWLVVRVAZ-AWEZNQCLSA-N	-1	3	377.489	1.206	50	0		GDAAHM
NC(=O)C1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCOCC1	ZINC000055246032	222017880	/nfs/dbraw/zinc/01/78/80/222017880.db2.gz	RIIDECRCTUEXDR-UHFFFAOYSA-N	-1	3	395.250	1.149	50	0		GDAAHM
CC(C)c1ccc([O-])c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1	ZINC000058311581	222049429	/nfs/dbraw/zinc/04/94/29/222049429.db2.gz	CBKSPLUQCGMATC-UHFFFAOYSA-N	-1	3	375.469	1.132	50	0		GDAAHM
CC[C@@]1(C(=O)OC)N[C@H](c2ccc(OC)c([O-])c2Cl)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000065376639	222126927	/nfs/dbraw/zinc/12/69/27/222126927.db2.gz	COPLMYCYIFUCEZ-RDTWTUCRSA-N	-1	3	396.827	1.251	50	0		GDAAHM
C[C@H](c1cccnc1)N(C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067540212	222147852	/nfs/dbraw/zinc/14/78/52/222147852.db2.gz	BLAZSXBXELIUPV-SNVBAGLBSA-N	-1	3	381.479	1.869	50	0		GDAAHM
CCn1c(CC2CCN(Cc3ccccc3OCC(=O)[O-])CC2)nn(C)c1=O	ZINC000067921562	222167662	/nfs/dbraw/zinc/16/76/62/222167662.db2.gz	NRWHIBHYIIFDEF-UHFFFAOYSA-N	-1	3	388.468	1.520	50	0		GDAAHM
CCOC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CO)cc(=O)c1[O-]	ZINC000071279972	222178484	/nfs/dbraw/zinc/17/84/84/222178484.db2.gz	DBTWNEKBPRJCNF-ZDUSSCGKSA-N	-1	3	376.361	1.694	50	0		GDAAHM
O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)CN1CCN(Cc2ccccn2)CC1	ZINC000071282016	222179112	/nfs/dbraw/zinc/17/91/12/222179112.db2.gz	LKKQNMBGLIZXFX-MRXNPFEDSA-N	-1	3	398.463	1.634	50	0		GDAAHM
CN1CCN(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)CC1	ZINC000095508509	222340922	/nfs/dbraw/zinc/34/09/22/222340922.db2.gz	UYPZGZLDEINNBS-AWEZNQCLSA-N	-1	3	386.543	1.106	50	0		GDAAHM
Cc1nnc(CCC(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)[nH]1	ZINC000095510641	222341863	/nfs/dbraw/zinc/34/18/63/222341863.db2.gz	ZECSZXULOIRBDA-ZDUSSCGKSA-N	-1	3	397.526	1.324	50	0		GDAAHM
O=C1[N-]C(=O)[C@H](Cc2nc(C3CCOCC3)nn2-c2ccc3c(c2)CCC3)N1	ZINC000096140042	222388209	/nfs/dbraw/zinc/38/82/09/222388209.db2.gz	BTVUKHMCQNJVDA-INIZCTEOSA-N	-1	3	381.436	1.401	50	0		GDAAHM
O=C([O-])[C@@]12CN(Cc3ccc4c(c3)OCCO4)C[C@@H]1CN(c1ncccn1)C2	ZINC000096151363	222392083	/nfs/dbraw/zinc/39/20/83/222392083.db2.gz	XPLHXUGDHCYOMY-FOIQADDNSA-N	-1	3	382.420	1.271	50	0		GDAAHM
COC(=O)C1=C(C)NC(=O)[C@@]1([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F	ZINC000100278254	570270543	/nfs/dbraw/zinc/27/05/43/570270543.db2.gz	WYFAZDFYNLMFMZ-CQSZACIVSA-N	-1	3	392.355	1.151	50	0		GDAAHM
COc1ccccc1OCCN1CCC2(C[C@@H](C(=O)[O-])N(C(C)=O)C2)CC1	ZINC000072146721	570343512	/nfs/dbraw/zinc/34/35/12/570343512.db2.gz	INJJDNZVWXEHLR-INIZCTEOSA-N	-1	3	376.453	1.862	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]Cc1nccnc1-c1cnn(C)c1	ZINC000575620226	570369208	/nfs/dbraw/zinc/36/92/08/570369208.db2.gz	RDFOMQQMYOEFQS-UHFFFAOYSA-N	-1	3	393.450	1.204	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)CN1C(=O)COc2ccccc21	ZINC000024886943	570397425	/nfs/dbraw/zinc/39/74/25/570397425.db2.gz	ZITXTIZUIKNBQH-UHFFFAOYSA-N	-1	3	375.406	1.422	50	0		GDAAHM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](N)[C@@H](C)CC)CC1)C(=O)[O-]	ZINC000248085039	570438264	/nfs/dbraw/zinc/43/82/64/570438264.db2.gz	RGPVJNHIMSQFEG-FQMQPWHVSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
COC(=O)c1c([N-]C(=O)C(=O)NC[C@H]2CCCO2)sc2c1CC(C)(C)OC2	ZINC000006670440	570528584	/nfs/dbraw/zinc/52/85/84/570528584.db2.gz	HSKZXDJEFOTEKA-SNVBAGLBSA-N	-1	3	396.465	1.620	50	0		GDAAHM
O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC[C@H](O)C3)cc2)[n-]1	ZINC000048356934	570657967	/nfs/dbraw/zinc/65/79/67/570657967.db2.gz	PSVMGSDNUGEVIC-IBGZPJMESA-N	-1	3	379.464	1.833	50	0		GDAAHM
COC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(F)c(F)c1	ZINC000180183964	570715116	/nfs/dbraw/zinc/71/51/16/570715116.db2.gz	MKWYETKEVFVRCD-KRWDZBQOSA-N	-1	3	396.415	1.917	50	0		GDAAHM
CCCCn1c(=O)[n-]nc1S(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C	ZINC000058278273	570724466	/nfs/dbraw/zinc/72/44/66/570724466.db2.gz	ZPFMVKXRVADKIP-GFCCVEGCSA-N	-1	3	378.454	1.535	50	0		GDAAHM
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1=NNC(=O)CC1	ZINC000007140951	570804055	/nfs/dbraw/zinc/80/40/55/570804055.db2.gz	XEAQXSHNDYDNFP-UHFFFAOYSA-N	-1	3	390.396	1.831	50	0		GDAAHM
O=C([N-]N1S(=O)(=O)c2ccccc2S1(=O)=O)C12CC3CC(CC(C3)C1)C2	ZINC000004659720	570810166	/nfs/dbraw/zinc/81/01/66/570810166.db2.gz	UODCCASZZYWVMO-UHFFFAOYSA-N	-1	3	396.490	1.627	50	0		GDAAHM
CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000107519006	570900631	/nfs/dbraw/zinc/90/06/31/570900631.db2.gz	KCUNMACGKJLAJF-JQHSSLGASA-N	-1	3	398.525	1.395	50	0		GDAAHM
CC(C)[C@H](NC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)C(N)=O	ZINC000092022769	571041490	/nfs/dbraw/zinc/04/14/90/571041490.db2.gz	LZKPPPDMRYRYTD-AWEZNQCLSA-N	-1	3	397.262	1.907	50	0		GDAAHM
CCc1n[nH]c2c1CN(C(=O)NCCn1[n-]c(=O)c3ccccc3c1=O)CC2	ZINC000426359466	529470160	/nfs/dbraw/zinc/47/01/60/529470160.db2.gz	FVVSDAYOBKRSDQ-UHFFFAOYSA-N	-1	3	382.424	1.156	50	0		GDAAHM
CCN(C(=O)CSc1n[n-]c(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1	ZINC000006144845	530540482	/nfs/dbraw/zinc/54/04/82/530540482.db2.gz	JORZOQWUAJPZMZ-JTQLQIEISA-N	-1	3	386.524	1.661	50	0		GDAAHM
CN(C)C(=O)c1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1	ZINC000032901088	530610414	/nfs/dbraw/zinc/61/04/14/530610414.db2.gz	GERGWIOICRQYJR-UHFFFAOYSA-N	-1	3	381.479	1.757	50	0		GDAAHM
CCO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000048234443	530666753	/nfs/dbraw/zinc/66/67/53/530666753.db2.gz	FLYOKNUNHBSHHI-NSHDSACASA-N	-1	3	391.287	1.918	50	0		GDAAHM
CN1Cc2ccccc2C[C@H]1CNC(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000299767011	532025702	/nfs/dbraw/zinc/02/57/02/532025702.db2.gz	AFMDJYQFKFKSML-HNNXBMFYSA-N	-1	3	379.507	1.199	50	0		GDAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)S1	ZINC000000859545	212189721	/nfs/dbraw/zinc/18/97/21/212189721.db2.gz	ZSEBOMQLLNSJLG-AWEZNQCLSA-N	-1	3	389.886	1.832	50	0		GDAAHM
O=C1C[C@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc2c(c1)OCO2	ZINC000009037385	212162107	/nfs/dbraw/zinc/16/21/07/212162107.db2.gz	ZKWNYAXLHOMZEX-LLVKDONJSA-N	-1	3	380.447	1.808	50	0		GDAAHM
NS(=O)(=O)c1cc2c(cc1F)N[C@@H](c1ccc(Cl)cc1)[N-]S2(=O)=O	ZINC000008379159	221038980	/nfs/dbraw/zinc/03/89/80/221038980.db2.gz	AAYUWDTZXPRAHF-CYBMUJFWSA-N	-1	3	391.833	1.529	50	0		GDAAHM
COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CNCc1ccc2c(c1)OCO2	ZINC000008850818	221060952	/nfs/dbraw/zinc/06/09/52/221060952.db2.gz	IFHKCPWDUIBOTK-AWEZNQCLSA-N	-1	3	375.377	1.652	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000009477014	221083320	/nfs/dbraw/zinc/08/33/20/221083320.db2.gz	VEWWEUJIECRZNI-UHFFFAOYSA-N	-1	3	385.449	1.246	50	0		GDAAHM
C[C@@H](Sc1nc2sccc2c(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000010581412	221105153	/nfs/dbraw/zinc/10/51/53/221105153.db2.gz	GXYGSHWMXZVQGA-BDAKNGLRSA-N	-1	3	387.508	1.111	50	0		GDAAHM
Cc1nn(C)c(C)c1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000011452211	221116572	/nfs/dbraw/zinc/11/65/72/221116572.db2.gz	BUSORLMBDWFBIK-UHFFFAOYSA-N	-1	3	396.538	1.610	50	0		GDAAHM
COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)CSc3nncs3)C2=O)cc1	ZINC000011577731	221117505	/nfs/dbraw/zinc/11/75/05/221117505.db2.gz	FDOPACXMYYCEIE-HNNXBMFYSA-N	-1	3	393.450	1.137	50	0		GDAAHM
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1=O	ZINC000011904982	221135088	/nfs/dbraw/zinc/13/50/88/221135088.db2.gz	GIMNXLXSSPRDFP-LLVKDONJSA-N	-1	3	398.437	1.939	50	0		GDAAHM
C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1	ZINC000012818563	221236045	/nfs/dbraw/zinc/23/60/45/221236045.db2.gz	CJHZWBSUCIFGMV-GFCCVEGCSA-N	-1	3	388.511	1.797	50	0		GDAAHM
CS(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1	ZINC000015279098	221334075	/nfs/dbraw/zinc/33/40/75/221334075.db2.gz	HYCKIDPIHZTLAM-UHFFFAOYSA-N	-1	3	391.401	1.869	50	0		GDAAHM
Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(NCCN2CCOCC2)n1	ZINC000039383650	132390950	/nfs/dbraw/zinc/39/09/50/132390950.db2.gz	CSBOCDVNSQHHBB-UHFFFAOYSA-N	-1	3	399.499	1.270	50	0		GDAAHM
Cc1cccc(N2CCN(CCC(=O)NCCc3cc(=O)[n-]c(C)n3)CC2)c1	ZINC000095359906	136178102	/nfs/dbraw/zinc/17/81/02/136178102.db2.gz	QWWJSCADKXOXJO-UHFFFAOYSA-N	-1	3	383.496	1.258	50	0		GDAAHM
CC[C@@H](CO)N(Cc1cccs1)C(=O)C[N-]S(=O)(=O)c1cccs1	ZINC000055253297	222018903	/nfs/dbraw/zinc/01/89/03/222018903.db2.gz	DBCHDTTVFWYQHZ-LBPRGKRZSA-N	-1	3	388.536	1.888	50	0		GDAAHM
COc1ccccc1-c1noc(CCC(=O)NCCc2cc(=O)[n-]c(C)n2)n1	ZINC000065423666	222129793	/nfs/dbraw/zinc/12/97/93/222129793.db2.gz	YQOIMYDOSMQZAW-UHFFFAOYSA-N	-1	3	383.408	1.428	50	0		GDAAHM
O=C([O-])c1c2c(sc1S(=O)(=O)NC[C@H](O)c1ccccc1)CNCC2	ZINC000067472810	222147424	/nfs/dbraw/zinc/14/74/24/222147424.db2.gz	GKELQTMWBYVMMV-LBPRGKRZSA-N	-1	3	382.463	1.104	50	0		GDAAHM
NC(=O)c1nnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)n1	ZINC000070999799	222179189	/nfs/dbraw/zinc/17/91/89/222179189.db2.gz	ZOIVSRJSCWHCJL-UHFFFAOYSA-N	-1	3	398.448	1.441	50	0		GDAAHM
Cc1cc(=O)[n-]c(NCCNc2nc(-c3cccnc3)nc3c2cnn3C)n1	ZINC000072134676	222210761	/nfs/dbraw/zinc/21/07/61/222210761.db2.gz	CAEDMMNFPPLYPW-UHFFFAOYSA-N	-1	3	377.412	1.341	50	0		GDAAHM
O=S(=O)([N-]Cc1noc(-c2ccc3c(c2)OCO3)n1)NCc1ccccc1	ZINC000072161999	222214313	/nfs/dbraw/zinc/21/43/13/222214313.db2.gz	IVZRBDVAXCAAJM-UHFFFAOYSA-N	-1	3	388.405	1.590	50	0		GDAAHM
CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc(Br)cc1	ZINC000072311358	222224449	/nfs/dbraw/zinc/22/44/49/222224449.db2.gz	PDHDCQJABJPURW-UHFFFAOYSA-N	-1	3	379.276	1.732	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CC2CCN(C(=O)/C=C/c3ccco3)CC2)c1	ZINC000096025883	222373678	/nfs/dbraw/zinc/37/36/78/222373678.db2.gz	JCXCRGBKLXQEDL-SNAWJCMRSA-N	-1	3	378.454	1.243	50	0		GDAAHM
COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)o1	ZINC000096114335	222380902	/nfs/dbraw/zinc/38/09/02/222380902.db2.gz	DDHONNNRTSHSMB-GFCCVEGCSA-N	-1	3	394.376	1.910	50	0	biogenic	GDAAHM
Cc1cc(C(=O)NCc2[nH]nc3c2CCCCC3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000426465180	534061260	/nfs/dbraw/zinc/06/12/60/534061260.db2.gz	KHHFMBCOZLUYPL-UHFFFAOYSA-N	-1	3	382.424	1.265	50	0		GDAAHM
Cc1ccn(-c2ccc(NCC[N-]S(=O)(=O)c3ccccc3F)nn2)n1	ZINC000019924022	570229646	/nfs/dbraw/zinc/22/96/46/570229646.db2.gz	HTBQYWNVUHRMFV-UHFFFAOYSA-N	-1	3	376.417	1.500	50	0		GDAAHM
CCOC(=O)C1=C(C)OC(=O)[C@@]1([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002484650	570288164	/nfs/dbraw/zinc/28/81/64/570288164.db2.gz	ACVVLRWBGFCGIF-CQSZACIVSA-N	-1	3	393.339	1.660	50	0		GDAAHM
O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1cccs1	ZINC000002867215	570312902	/nfs/dbraw/zinc/31/29/02/570312902.db2.gz	YDOJTXAAUPLPGZ-CQSZACIVSA-N	-1	3	384.339	1.884	50	0		GDAAHM
COc1ccc(S(=O)(=O)[N-]Cc2nc(OC)nc(N3CCCC3)n2)cc1F	ZINC000575606507	570329761	/nfs/dbraw/zinc/32/97/61/570329761.db2.gz	IZSKIZRSVMTBLR-UHFFFAOYSA-N	-1	3	397.432	1.107	50	0		GDAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@](O)(c1ccoc1)c1ccco1	ZINC000390826498	570356669	/nfs/dbraw/zinc/35/66/69/570356669.db2.gz	MTLUMBMLXQYKMU-INIZCTEOSA-N	-1	3	397.430	1.935	50	0		GDAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NCc1ccco1	ZINC000005068026	570410548	/nfs/dbraw/zinc/41/05/48/570410548.db2.gz	PKGCPISTRHWVGO-AWEZNQCLSA-N	-1	3	394.478	1.904	50	0		GDAAHM
Cc1nc(C2CCN(C(=O)[C@H](C)n3cnc4ccccc4c3=O)CC2)cc(=O)[n-]1	ZINC000032592951	570511676	/nfs/dbraw/zinc/51/16/76/570511676.db2.gz	RIHCLJAIPNKQLC-ZDUSSCGKSA-N	-1	3	393.447	1.755	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCS[C@H]2COCC[C@@H]21	ZINC000242156007	570688507	/nfs/dbraw/zinc/68/85/07/570688507.db2.gz	WVADLPGBKCEJQJ-ZFWWWQNUSA-N	-1	3	391.424	1.220	50	0		GDAAHM
O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCS[C@H]2COCC[C@@H]21	ZINC000242156007	570688511	/nfs/dbraw/zinc/68/85/11/570688511.db2.gz	WVADLPGBKCEJQJ-ZFWWWQNUSA-N	-1	3	391.424	1.220	50	0		GDAAHM
CC(C)(CNC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)N1CCOCC1	ZINC000170616679	570874210	/nfs/dbraw/zinc/87/42/10/570874210.db2.gz	IUIKVKBOGFIWLD-UHFFFAOYSA-N	-1	3	376.413	1.054	50	0		GDAAHM
CC(C)(CNC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)N1CCOCC1	ZINC000170616679	570874216	/nfs/dbraw/zinc/87/42/16/570874216.db2.gz	IUIKVKBOGFIWLD-UHFFFAOYSA-N	-1	3	376.413	1.054	50	0		GDAAHM
CCOC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc(CO)cc(=O)c1[O-]	ZINC000071283189	570887027	/nfs/dbraw/zinc/88/70/27/570887027.db2.gz	QNHAAOGUHOUXGU-CQSZACIVSA-N	-1	3	378.377	1.940	50	0		GDAAHM
COCCCCN1CCN(C(=O)c2cnc(-c3csc(C)n3)[n-]c2=O)CC1	ZINC000091636937	571020942	/nfs/dbraw/zinc/02/09/42/571020942.db2.gz	SOLRMUSVYPWERR-UHFFFAOYSA-N	-1	3	391.497	1.799	50	0		GDAAHM
COc1ccc2[n-]cc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c(=O)c2c1	ZINC000095392047	571073115	/nfs/dbraw/zinc/07/31/15/571073115.db2.gz	IWQBCBVLTNWNTM-XIKOKIGWSA-N	-1	3	383.404	1.821	50	0		GDAAHM
CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc([O-])cc2F)c1	ZINC000426387363	529870626	/nfs/dbraw/zinc/87/06/26/529870626.db2.gz	YCOHSAXQXBXLQP-QGZVFWFLSA-N	-1	3	385.395	1.275	50	0		GDAAHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000019618942	530568574	/nfs/dbraw/zinc/56/85/74/530568574.db2.gz	UTPHTMKLWIXCNC-UHFFFAOYSA-N	-1	3	393.303	1.458	50	0		GDAAHM
O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000072290652	530805842	/nfs/dbraw/zinc/80/58/42/530805842.db2.gz	IWPWWWRAGDFTIU-BFQNTYOBSA-N	-1	3	378.226	1.363	50	0		GDAAHM
Cn1c(=O)n(CC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1C(F)(F)F	ZINC000090591373	530808626	/nfs/dbraw/zinc/80/86/26/530808626.db2.gz	HZXYVJOSOXAWFB-UHFFFAOYSA-N	-1	3	390.796	1.294	50	0		GDAAHM
Cc1ocnc1C[N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2	ZINC000089556277	530808791	/nfs/dbraw/zinc/80/87/91/530808791.db2.gz	KIOAILLASGBSOP-UHFFFAOYSA-N	-1	3	389.227	1.995	50	0		GDAAHM
Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCS(=O)(=O)C3)s2)cs1	ZINC000119245450	530924204	/nfs/dbraw/zinc/92/42/04/530924204.db2.gz	FQSDDECLKLDDIJ-SECBINFHSA-N	-1	3	378.522	1.645	50	0		GDAAHM
COc1cc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)cc(OC)c1	ZINC000012427843	221192157	/nfs/dbraw/zinc/19/21/57/221192157.db2.gz	MYYNHJHMAZNFII-UHFFFAOYSA-N	-1	3	375.410	1.405	50	0	biogenic,in-vitro	GDAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000013949056	221294833	/nfs/dbraw/zinc/29/48/33/221294833.db2.gz	QMHRWHGGDVQKNV-UHFFFAOYSA-N	-1	3	376.406	1.133	50	0		GDAAHM
COc1ccc(C(=O)Nc2ccccc2[O-])cc1S(=O)(=O)NCCN(C)C	ZINC000014122747	221299882	/nfs/dbraw/zinc/29/98/82/221299882.db2.gz	QICVCCDVAIDDFG-UHFFFAOYSA-N	-1	3	393.465	1.493	50	0		GDAAHM
Cc1sc2[n-]c(COC(=O)c3ccccc3-n3cnnn3)nc(=O)c2c1C	ZINC000036393176	221856996	/nfs/dbraw/zinc/85/69/96/221856996.db2.gz	FVAQODQXTMHQAL-UHFFFAOYSA-N	-1	3	382.405	1.934	50	0		GDAAHM
CCCS(=O)(=O)[N-]Cc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1	ZINC000064991718	222093537	/nfs/dbraw/zinc/09/35/37/222093537.db2.gz	YNKVXZHKSBJZTH-UHFFFAOYSA-N	-1	3	384.439	1.349	50	0		GDAAHM
O=C(NCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1F	ZINC000058332773	222048907	/nfs/dbraw/zinc/04/89/07/222048907.db2.gz	FNPAOITUCCLKJR-UHFFFAOYSA-N	-1	3	376.331	1.951	50	0		GDAAHM
CCn1nnc2cc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)ccc21	ZINC000064979912	222092014	/nfs/dbraw/zinc/09/20/14/222092014.db2.gz	MXICTVNKCQPOGL-UHFFFAOYSA-N	-1	3	384.421	1.980	50	0		GDAAHM
Cc1ncc(CC(=O)NCc2cccnc2N2CCc3ccccc3C2)c(=O)[n-]1	ZINC000067804258	222159841	/nfs/dbraw/zinc/15/98/41/222159841.db2.gz	XWIXZEZYVBRMQO-UHFFFAOYSA-N	-1	3	389.459	1.895	50	0		GDAAHM
COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(Cc3cnc(N(C)C)nc3)C[C@H]21	ZINC000095496476	222332208	/nfs/dbraw/zinc/33/22/08/222332208.db2.gz	NEVNLNQLLLRNFP-OXQOHEQNSA-N	-1	3	384.436	1.614	50	0		GDAAHM
NC(=O)c1csc(N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)n1	ZINC000095510460	222342365	/nfs/dbraw/zinc/34/23/65/222342365.db2.gz	BYRWQNNEEOLPQT-JTQLQIEISA-N	-1	3	386.524	1.498	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-]CCc2csc3nc(-c4cccs4)nn23)c1	ZINC000096025612	222373584	/nfs/dbraw/zinc/37/35/84/222373584.db2.gz	OQLQMIVGAQQVHK-UHFFFAOYSA-N	-1	3	394.507	1.774	50	0		GDAAHM
Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1	ZINC000097759260	570252914	/nfs/dbraw/zinc/25/29/14/570252914.db2.gz	WPVOCBVYRKHDQS-OAHLLOKOSA-N	-1	3	376.420	1.950	50	0		GDAAHM
O=C([O-])[C@]12CN(Cc3ccncc3)C[C@H]1CN(C(=O)CSCC1CC1)C2	ZINC000215486296	570289380	/nfs/dbraw/zinc/28/93/80/570289380.db2.gz	MJJYEXOGEIZBAO-LPHOPBHVSA-N	-1	3	375.494	1.570	50	0		GDAAHM
Cc1nn(C)c2ncc(NC(=O)CCn3[n-]c(=O)c4ccccc4c3=O)cc12	ZINC000024033051	570377657	/nfs/dbraw/zinc/37/76/57/570377657.db2.gz	MTZHZKGBQUWAGD-UHFFFAOYSA-N	-1	3	378.392	1.721	50	0		GDAAHM
COc1ccc(N2C[C@H]([N-]S(=O)(=O)c3ccccc3F)CC2=O)cc1OC	ZINC000005222330	570670844	/nfs/dbraw/zinc/67/08/44/570670844.db2.gz	IMPXVHCHYHREQE-GFCCVEGCSA-N	-1	3	394.424	1.927	50	0		GDAAHM
CCNC(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000033034143	570670879	/nfs/dbraw/zinc/67/08/79/570670879.db2.gz	KCJLHUOHLOCECW-UHFFFAOYSA-N	-1	3	394.522	1.708	50	0		GDAAHM
O=C([O-])CNc1ncc(CN2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cn1	ZINC000244626774	570694346	/nfs/dbraw/zinc/69/43/46/570694346.db2.gz	FSNDGKSCFJQNQB-PXNSSMCTSA-N	-1	3	388.468	1.691	50	0		GDAAHM
Cn1cc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O	ZINC000253535436	570733731	/nfs/dbraw/zinc/73/37/31/570733731.db2.gz	PSOXBEDSSOTXON-QEORTHHSSA-N	-1	3	380.404	1.276	50	0		GDAAHM
CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)NCCc1cn2c(n1)CCCC2	ZINC000032803543	570822093	/nfs/dbraw/zinc/82/20/93/570822093.db2.gz	DDRCREDRJCRPCD-UHFFFAOYSA-N	-1	3	386.481	1.902	50	0		GDAAHM
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1	ZINC000032809432	570831878	/nfs/dbraw/zinc/83/18/78/570831878.db2.gz	NVTINROFWCSKGJ-UHFFFAOYSA-N	-1	3	381.498	1.659	50	0		GDAAHM
CCOC(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1)c1oc(CO)cc(=O)c1[O-]	ZINC000071283482	570887474	/nfs/dbraw/zinc/88/74/74/570887474.db2.gz	BBFKHJKFLJEBRU-AWEZNQCLSA-N	-1	3	396.417	1.326	50	0		GDAAHM
Cc1c(C2=NOC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@H]23)cnn1C	ZINC000101075885	231009220	/nfs/dbraw/zinc/00/92/20/231009220.db2.gz	RNZJTKPKHZVFGA-TZMCWYRMSA-N	-1	3	389.209	1.784	50	0		GDAAHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCO	ZINC000004778229	530537185	/nfs/dbraw/zinc/53/71/85/530537185.db2.gz	BPQKVCZBRJEJJH-UHFFFAOYSA-N	-1	3	384.841	1.628	50	0		GDAAHM
CC1CCN(CC[N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1	ZINC000020984916	530569714	/nfs/dbraw/zinc/56/97/14/530569714.db2.gz	MHYGFWPTZVKABI-UHFFFAOYSA-N	-1	3	382.511	1.509	50	0		GDAAHM
O=C1NC(=O)[C@@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)N1	ZINC000089764379	530808741	/nfs/dbraw/zinc/80/87/41/530808741.db2.gz	HYHAGSMUVDWZIW-CLAHSXSESA-N	-1	3	392.264	1.650	50	0		GDAAHM
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1	ZINC000530077949	531386204	/nfs/dbraw/zinc/38/62/04/531386204.db2.gz	XLPZZIQWWKYIAU-JQWIXIFHSA-N	-1	3	382.467	1.274	50	0		GDAAHM
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([O-])cc2)c1	ZINC000005694282	220892541	/nfs/dbraw/zinc/89/25/41/220892541.db2.gz	MFNLPHQTRGHPMR-UHFFFAOYSA-N	-1	3	378.406	1.438	50	0		GDAAHM
O=C(COC(=O)C[N-]S(=O)(=O)c1ccccc1F)NC1CCCCCC1	ZINC000008944840	221065104	/nfs/dbraw/zinc/06/51/04/221065104.db2.gz	MOBTZQTYVSUVDT-UHFFFAOYSA-N	-1	3	386.445	1.486	50	0		GDAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000008709075	221050972	/nfs/dbraw/zinc/05/09/72/221050972.db2.gz	JHQXTKKXNBNEMN-QJPTWQEYSA-N	-1	3	384.274	1.774	50	0		GDAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccc(N3CCCC3=O)c1)C2=O	ZINC000009609363	221087417	/nfs/dbraw/zinc/08/74/17/221087417.db2.gz	ADFHMQNKZQPFQA-UHFFFAOYSA-N	-1	3	384.436	1.959	50	0		GDAAHM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)COC(=O)c1ccc(Cl)nc1)C2=O	ZINC000010806407	221106837	/nfs/dbraw/zinc/10/68/37/221106837.db2.gz	AQUMOUFCLCBNBY-UHFFFAOYSA-N	-1	3	394.815	1.424	50	0		GDAAHM
COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)CSc3nncs3)C2=O)cc1	ZINC000011577735	221117569	/nfs/dbraw/zinc/11/75/69/221117569.db2.gz	FDOPACXMYYCEIE-OAHLLOKOSA-N	-1	3	393.450	1.137	50	0		GDAAHM
COc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1OCc1ccccc1	ZINC000011707753	221123088	/nfs/dbraw/zinc/12/30/88/221123088.db2.gz	PLFCVBFQMLDXEA-HNNXBMFYSA-N	-1	3	383.404	1.489	50	0		GDAAHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1	ZINC000012627654	221215802	/nfs/dbraw/zinc/21/58/02/221215802.db2.gz	BFXQLAGCQIISQS-NSHDSACASA-N	-1	3	391.453	1.714	50	0		GDAAHM
COC(=O)c1cccnc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012750382	221224759	/nfs/dbraw/zinc/22/47/59/221224759.db2.gz	YFCHWYNMSPOQEW-UHFFFAOYSA-N	-1	3	381.479	1.877	50	0		GDAAHM
Cc1sc2[n-]c(COC(=O)c3ccc(S(N)(=O)=O)cc3)nc(=O)c2c1C	ZINC000012820138	221237140	/nfs/dbraw/zinc/23/71/40/221237140.db2.gz	JBLPIFARIZVTHR-UHFFFAOYSA-N	-1	3	393.446	1.606	50	0		GDAAHM
O=S(=O)([N-]CCNS(=O)(=O)c1ccccc1F)c1ccccc1F	ZINC000013008153	221256781	/nfs/dbraw/zinc/25/67/81/221256781.db2.gz	DZNUSYXKATUUKP-UHFFFAOYSA-N	-1	3	376.406	1.222	50	0		GDAAHM
COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)[n-]2)cc1OC	ZINC000013543781	221271240	/nfs/dbraw/zinc/27/12/40/221271240.db2.gz	PIMLDHYWFMBDBW-UHFFFAOYSA-N	-1	3	389.437	1.114	50	0		GDAAHM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000018102938	221386962	/nfs/dbraw/zinc/38/69/62/221386962.db2.gz	KPVNJWTUJVZBLZ-WMZOPIPTSA-N	-1	3	393.399	1.993	50	0		GDAAHM
CCOC([O-])=NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)n1N	ZINC000018743881	221392661	/nfs/dbraw/zinc/39/26/61/221392661.db2.gz	PGRCKGPBPWYFRO-UHFFFAOYSA-N	-1	3	379.442	1.553	50	0		GDAAHM
CCOC(=O)[N-]C(=O)CSc1nnc(COc2cc(C)cc(C)c2)n1N	ZINC000018743881	221392663	/nfs/dbraw/zinc/39/26/63/221392663.db2.gz	PGRCKGPBPWYFRO-UHFFFAOYSA-N	-1	3	379.442	1.553	50	0		GDAAHM
CN(C[C@H]1CCN(C)C1)c1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096132578	136184201	/nfs/dbraw/zinc/18/42/01/136184201.db2.gz	KBQZIAKMOUMGQF-AWEZNQCLSA-N	-1	3	377.489	1.063	50	0		GDAAHM
CSc1nnc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)[n-]1	ZINC000062581654	222065601	/nfs/dbraw/zinc/06/56/01/222065601.db2.gz	QXOLSYUNQVYDJC-LLVKDONJSA-N	-1	3	397.482	1.236	50	0		GDAAHM
CSc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1	ZINC000062581654	222065605	/nfs/dbraw/zinc/06/56/05/222065605.db2.gz	QXOLSYUNQVYDJC-LLVKDONJSA-N	-1	3	397.482	1.236	50	0		GDAAHM
CSc1nc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n[n-]1	ZINC000062581654	222065606	/nfs/dbraw/zinc/06/56/06/222065606.db2.gz	QXOLSYUNQVYDJC-LLVKDONJSA-N	-1	3	397.482	1.236	50	0		GDAAHM
O=C(NCc1cc(=O)[n-]cn1)c1coc(COc2cccc3cccnc32)n1	ZINC000067643123	222151295	/nfs/dbraw/zinc/15/12/95/222151295.db2.gz	PJTZCGQLKTZUQH-UHFFFAOYSA-N	-1	3	377.360	1.815	50	0		GDAAHM
Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2c[nH]c(=O)[n-]c2=O)CCO3)cc1	ZINC000067920587	222166766	/nfs/dbraw/zinc/16/67/66/222166766.db2.gz	NJKLQABTXFGBBM-UHFFFAOYSA-N	-1	3	393.399	1.779	50	0		GDAAHM
COc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)cc1C(=O)[O-]	ZINC000072432689	222261245	/nfs/dbraw/zinc/26/12/45/222261245.db2.gz	GBSFOXXASBNHPG-FUHWJXTLSA-N	-1	3	390.480	1.979	50	0		GDAAHM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CN1C1CC1	ZINC000079092446	222303645	/nfs/dbraw/zinc/30/36/45/222303645.db2.gz	XCGQTHHKZCWARY-MNOVXSKESA-N	-1	3	392.930	1.647	50	0		GDAAHM
CN(C)C(=O)N1C[C@@H]2CN(Cc3cccc(OC(F)F)c3)C[C@]2(C(=O)[O-])C1	ZINC000096152269	222392109	/nfs/dbraw/zinc/39/21/09/222392109.db2.gz	JZBTYNOLWZQNSQ-UGSOOPFHSA-N	-1	3	383.395	1.788	50	0		GDAAHM
CN1CC[C@@](C)(CNc2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1	ZINC000096131751	536475809	/nfs/dbraw/zinc/47/58/09/536475809.db2.gz	LTURACCRUSRLBT-IBGZPJMESA-N	-1	3	377.489	1.429	50	0		GDAAHM
CN1CCCC[C@H]1CNc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1	ZINC000096165231	536359519	/nfs/dbraw/zinc/35/95/19/536359519.db2.gz	UNZJCNJSVCNBLX-AWEZNQCLSA-N	-1	3	377.489	1.572	50	0		GDAAHM
CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)NC3(C)C)CC1	ZINC000023248983	570352201	/nfs/dbraw/zinc/35/22/01/570352201.db2.gz	HFNVNUYPQCNKHX-UHFFFAOYSA-N	-1	3	394.541	1.792	50	0		GDAAHM
CCOC(=O)c1[n-]c(=O)[nH]c1CN1CCC[C@@H]1c1ccc(C(=O)NC)s1	ZINC000023337637	570354850	/nfs/dbraw/zinc/35/48/50/570354850.db2.gz	OKVNGOBWVWFYTP-LLVKDONJSA-N	-1	3	378.454	1.638	50	0		GDAAHM
O=c1ccc(-c2ccncc2)nn1CC[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000011744860	570432053	/nfs/dbraw/zinc/43/20/53/570432053.db2.gz	RGOXUNQPASYTAR-UHFFFAOYSA-N	-1	3	392.387	1.562	50	0		GDAAHM
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000005189593	570498539	/nfs/dbraw/zinc/49/85/39/570498539.db2.gz	OOHBPLFZYNTOEC-UHFFFAOYSA-N	-1	3	376.365	1.512	50	0		GDAAHM
Cc1cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)n(C)n1	ZINC000013614538	570661419	/nfs/dbraw/zinc/66/14/19/570661419.db2.gz	QYCKDVQHJOHGHN-UHFFFAOYSA-N	-1	3	390.425	1.281	50	0		GDAAHM
CN1CCN(Cc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)CC1	ZINC000101796154	570834516	/nfs/dbraw/zinc/83/45/16/570834516.db2.gz	NIELWWDSWGYIAE-UHFFFAOYSA-N	-1	3	387.875	1.431	50	0		GDAAHM
Cc1cc(=NC(=O)CCc2ccc3c(c2)CCO3)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159222	570876304	/nfs/dbraw/zinc/87/63/04/570876304.db2.gz	MGJGBPFGWCVCNR-MRXNPFEDSA-N	-1	3	389.477	1.479	50	0		GDAAHM
CCOC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc(CO)cc(=O)c1[O-]	ZINC000071283188	570887072	/nfs/dbraw/zinc/88/70/72/570887072.db2.gz	QNHAAOGUHOUXGU-AWEZNQCLSA-N	-1	3	378.377	1.940	50	0		GDAAHM
CCOC(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1)c1oc(CO)cc(=O)c1[O-]	ZINC000071283483	570887360	/nfs/dbraw/zinc/88/73/60/570887360.db2.gz	BBFKHJKFLJEBRU-CQSZACIVSA-N	-1	3	396.417	1.326	50	0		GDAAHM
O=C(NCCc1ccccc1)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F	ZINC000004742410	570956817	/nfs/dbraw/zinc/95/68/17/570956817.db2.gz	SIKOBAAKONVROK-GUYCJALGSA-N	-1	3	383.370	1.985	50	0		GDAAHM
COc1ccc(-c2cc(N3CCN(C(=O)c4cc(=O)[n-]cn4)CC3)ncn2)cc1	ZINC000252507678	570978208	/nfs/dbraw/zinc/97/82/08/570978208.db2.gz	WRIJTXOHHZJEMM-UHFFFAOYSA-N	-1	3	392.419	1.610	50	0		GDAAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)n1	ZINC000091321369	571003416	/nfs/dbraw/zinc/00/34/16/571003416.db2.gz	XAZLUJFCXPAKMF-HNNXBMFYSA-N	-1	3	386.427	1.315	50	0		GDAAHM
Cc1nc(-c2ncc(C(=O)NCCN3CCCC[C@H]3CO)c(=O)[n-]2)cs1	ZINC000091694828	571026385	/nfs/dbraw/zinc/02/63/85/571026385.db2.gz	CSIMSKAXOMIMJK-LBPRGKRZSA-N	-1	3	377.470	1.191	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091914647	571036198	/nfs/dbraw/zinc/03/61/98/571036198.db2.gz	PMZYSRSTRJUYGZ-MJGOQNOKSA-N	-1	3	391.487	1.698	50	0		GDAAHM
COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCC(N3CCNC(=O)CC3)CC2)c1	ZINC000095360715	571055195	/nfs/dbraw/zinc/05/51/95/571055195.db2.gz	YZTZJSSBUBVWOV-IBGZPJMESA-N	-1	3	391.468	1.116	50	0		GDAAHM
CCOC([O-])=NC(=O)COC(=O)CCS(=O)(=O)c1ccccc1Cl	ZINC000003297406	530533888	/nfs/dbraw/zinc/53/38/88/530533888.db2.gz	FWBXVKZMYKFXRD-UHFFFAOYSA-N	-1	3	377.802	1.320	50	0		GDAAHM
CCOC(=O)[N-]C(=O)COC(=O)CCS(=O)(=O)c1ccccc1Cl	ZINC000003297406	530533890	/nfs/dbraw/zinc/53/38/90/530533890.db2.gz	FWBXVKZMYKFXRD-UHFFFAOYSA-N	-1	3	377.802	1.320	50	0		GDAAHM
CCN(C(=O)COC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000005101845	530538271	/nfs/dbraw/zinc/53/82/71/530538271.db2.gz	FSHPRDGVIMEVGO-NSHDSACASA-N	-1	3	375.830	1.238	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccccc1N1CCCC1=O	ZINC000024652716	530578082	/nfs/dbraw/zinc/57/80/82/530578082.db2.gz	KRTJTIBYOCBWCY-UHFFFAOYSA-N	-1	3	379.463	1.792	50	0		GDAAHM
CCCNC(=O)CN(C)C(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C	ZINC000032971864	530610424	/nfs/dbraw/zinc/61/04/24/530610424.db2.gz	KWTXZNAIGUOYAJ-CQSZACIVSA-N	-1	3	375.516	1.036	50	0		GDAAHM
O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)NC(=O)CO2	ZINC000032988883	530610939	/nfs/dbraw/zinc/61/09/39/530610939.db2.gz	DVPUBYWPANEPHM-UHFFFAOYSA-N	-1	3	381.435	1.386	50	0		GDAAHM
Cc1noc(C)c1-c1ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)s1	ZINC000670455610	531833325	/nfs/dbraw/zinc/83/33/25/531833325.db2.gz	LRWMCOUGEDWWDD-SNVBAGLBSA-N	-1	3	376.481	1.485	50	0		GDAAHM
COc1ccc([C@@H]2N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1	ZINC000245246434	212134535	/nfs/dbraw/zinc/13/45/35/212134535.db2.gz	LRFLYGAWILIZLP-OWSLCNJRSA-N	-1	3	396.399	1.607	50	0		GDAAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccccc2)c(=O)[n-]c1=O	ZINC000007654453	221004651	/nfs/dbraw/zinc/00/46/51/221004651.db2.gz	YXERCFHEPGLULB-UHFFFAOYSA-N	-1	3	394.431	1.612	50	0		GDAAHM
CCOC(=O)CNC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1	ZINC000012465736	221198534	/nfs/dbraw/zinc/19/85/34/221198534.db2.gz	CSOSKKCCNSTIQT-LBPRGKRZSA-N	-1	3	389.499	1.011	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1nc2ccccc2[nH]1	ZINC000012628886	221216077	/nfs/dbraw/zinc/21/60/77/221216077.db2.gz	XDKGFPHFJOHMOG-GFCCVEGCSA-N	-1	3	390.440	1.728	50	0		GDAAHM
CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000012871402	221240470	/nfs/dbraw/zinc/24/04/70/221240470.db2.gz	YPVWKCHMUGMHOX-QGTPRVQTSA-N	-1	3	389.496	1.411	50	0	biogenic	GDAAHM
COc1cc(C)c(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1OC	ZINC000013986569	221294105	/nfs/dbraw/zinc/29/41/05/221294105.db2.gz	ZKLOSTBFEMTITL-UHFFFAOYSA-N	-1	3	398.213	1.263	50	0		GDAAHM
CN1CC[C@]2(CCN(c3ncc(C(C)(C)C(=O)[O-])c(N4CCOCC4)n3)C2)C1	ZINC000096149762	136184535	/nfs/dbraw/zinc/18/45/35/136184535.db2.gz	WXFJBSJYBPQVBO-FQEVSTJZSA-N	-1	3	389.500	1.207	50	0		GDAAHM
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)C1	ZINC000065371088	222125724	/nfs/dbraw/zinc/12/57/24/222125724.db2.gz	WUKHGHACLFPITR-KDOFPFPSSA-N	-1	3	383.448	1.850	50	0		GDAAHM
Cc1nc2c(c(=O)[n-]1)CCN(c1ncccc1C(=O)N1C[C@H]3CC[C@@H]1C3)CC2	ZINC000065383482	222126413	/nfs/dbraw/zinc/12/64/13/222126413.db2.gz	WUDIWYYPOSTXRI-LSDHHAIUSA-N	-1	3	379.464	1.703	50	0		GDAAHM
Cc1cccc(C(=O)N2CCCn3nc(C(=O)N4CCOCC4)cc3C2)c1[O-]	ZINC000065452358	222130108	/nfs/dbraw/zinc/13/01/08/222130108.db2.gz	SKFZVTOUJUNHGM-UHFFFAOYSA-N	-1	3	384.436	1.416	50	0		GDAAHM
O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1	ZINC000067855763	222162948	/nfs/dbraw/zinc/16/29/48/222162948.db2.gz	PKJAUTRROVCTOZ-CQSZACIVSA-N	-1	3	379.420	1.809	50	0		GDAAHM
Cc1ccn(-c2cc(NCC[N-]S(=O)(=O)c3ccc(F)c(F)c3)ncn2)n1	ZINC000072115522	222207097	/nfs/dbraw/zinc/20/70/97/222207097.db2.gz	ZRHCSZATGORNHR-UHFFFAOYSA-N	-1	3	394.407	1.639	50	0		GDAAHM
CCNc1ncc(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)cn1	ZINC000072156291	222212450	/nfs/dbraw/zinc/21/24/50/222212450.db2.gz	GSJRXPBGCWMKKD-UHFFFAOYSA-N	-1	3	376.420	1.857	50	0		GDAAHM
CCOC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CO)cc(=O)c1[O-]	ZINC000072324674	222227463	/nfs/dbraw/zinc/22/74/63/222227463.db2.gz	NNXPKDALTADKCJ-LBPRGKRZSA-N	-1	3	394.376	1.646	50	0	biogenic	GDAAHM
CCN1C[C@]2(CCCN(C(=O)c3cc(-n4cnnn4)ccc3[O-])C2)CCC1=O	ZINC000072435632	222261174	/nfs/dbraw/zinc/26/11/74/222261174.db2.gz	UTROWTNUPSHYBJ-IBGZPJMESA-N	-1	3	384.440	1.233	50	0		GDAAHM
O=C([O-])c1ccnc(-c2ccnc(N3CCCO[C@@H](CN4CCCC4)C3)n2)c1	ZINC000072454398	222262219	/nfs/dbraw/zinc/26/22/19/222262219.db2.gz	WJHFAUIRERRIBQ-INIZCTEOSA-N	-1	3	383.452	1.928	50	0		GDAAHM
CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2cc(=O)[n-]c(=O)[nH]2)C1	ZINC000095507824	222340566	/nfs/dbraw/zinc/34/05/66/222340566.db2.gz	UIZXIYRSBHIQOJ-INIZCTEOSA-N	-1	3	399.495	1.152	50	0		GDAAHM
COCCn1nnn(-c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1=O	ZINC000077100154	222272989	/nfs/dbraw/zinc/27/29/89/222272989.db2.gz	FTZJMYCTMMVLDV-UHFFFAOYSA-N	-1	3	389.437	1.017	50	0		GDAAHM
O=C(NCCc1nnc[nH]1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000078994133	222300743	/nfs/dbraw/zinc/30/07/43/222300743.db2.gz	WGUUOBGKXJXMMW-UHFFFAOYSA-N	-1	3	389.412	1.717	50	0		GDAAHM
O=C(NCCc1nc[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000078994133	222300746	/nfs/dbraw/zinc/30/07/46/222300746.db2.gz	WGUUOBGKXJXMMW-UHFFFAOYSA-N	-1	3	389.412	1.717	50	0		GDAAHM
CCOc1ccc(Oc2cc(CNC(=O)c3n[n-]c(=S)[nH]c3=O)ccn2)cc1	ZINC000095983144	222368192	/nfs/dbraw/zinc/36/81/92/222368192.db2.gz	KHSWGIXASAIYTI-UHFFFAOYSA-N	-1	3	399.432	1.970	50	0		GDAAHM
Cc1c2cc(C)ccc2oc1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000096140257	222388516	/nfs/dbraw/zinc/38/85/16/222388516.db2.gz	RLBFINWMRBWSIE-AUUYWEPGSA-N	-1	3	392.477	1.828	50	0		GDAAHM
CCCn1cc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)ccc1=O	ZINC000048368671	570248473	/nfs/dbraw/zinc/24/84/73/570248473.db2.gz	FTFKUBGBIOINCO-UHFFFAOYSA-N	-1	3	380.404	1.468	50	0		GDAAHM
Cc1cc2nc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)cc(=O)n2[n-]1	ZINC000102103405	570256382	/nfs/dbraw/zinc/25/63/82/570256382.db2.gz	DFWQGGGIWDTZDC-QFBILLFUSA-N	-1	3	378.480	1.822	50	0		GDAAHM
CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[N-]S(=O)(=O)c1c(Cl)nc2sccn21	ZINC000218918883	570343806	/nfs/dbraw/zinc/34/38/06/570343806.db2.gz	GRYICOSMVYHBAP-UTINFBMNSA-N	-1	3	376.891	1.045	50	0		GDAAHM
Cn1cc(-c2nccnc2C[N-]S(=O)(=O)c2cccc3nsnc32)cn1	ZINC000575620675	570369836	/nfs/dbraw/zinc/36/98/36/570369836.db2.gz	UHFUIKPXRJOQCU-UHFFFAOYSA-N	-1	3	387.450	1.360	50	0		GDAAHM
CN(c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1)S(C)(=O)=O	ZINC000004756701	570403734	/nfs/dbraw/zinc/40/37/34/570403734.db2.gz	PXGGMRRSJDGEEX-UHFFFAOYSA-N	-1	3	397.478	1.706	50	0		GDAAHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)CC1	ZINC000248085045	570438299	/nfs/dbraw/zinc/43/82/99/570438299.db2.gz	RGPVJNHIMSQFEG-KPLDXPABSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
CC(C)C(=O)N1CCN(c2nc(CN(C)Cc3ccccc3)cc(=O)[n-]2)CC1	ZINC000035926482	570479713	/nfs/dbraw/zinc/47/97/13/570479713.db2.gz	VEROXKUHSKRRTC-UHFFFAOYSA-N	-1	3	383.496	1.707	50	0		GDAAHM
CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	ZINC000029966137	570483269	/nfs/dbraw/zinc/48/32/69/570483269.db2.gz	RYPVCBPKIKCGOR-UHFFFAOYSA-N	-1	3	391.497	1.067	50	0		GDAAHM
Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)N(C)[C@@H]1CCc2ccccc21	ZINC000030562061	570491289	/nfs/dbraw/zinc/49/12/89/570491289.db2.gz	WJQGZRGVIHUDEL-MRXNPFEDSA-N	-1	3	380.448	1.942	50	0		GDAAHM
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)[N-]C2=O	ZINC000005189560	570498650	/nfs/dbraw/zinc/49/86/50/570498650.db2.gz	KPKOSRUDLAMLRJ-UHFFFAOYSA-N	-1	3	376.365	1.512	50	0		GDAAHM
CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O	ZINC000269078616	570523603	/nfs/dbraw/zinc/52/36/03/570523603.db2.gz	BTMDROSMRHQBQR-KZNAEPCWSA-N	-1	3	387.480	1.131	50	0		GDAAHM
COc1cc([C@@H]2c3c(C)[nH]nc3Nc3[nH]c(=O)[n-]c(=O)c32)ccc1OC(F)F	ZINC000036357359	570637402	/nfs/dbraw/zinc/63/74/02/570637402.db2.gz	IIFATHNVRXGMNR-LLVKDONJSA-N	-1	3	391.334	1.942	50	0		GDAAHM
Cc1nc(S(=O)(=O)[N-]CC(=O)OCC(=O)c2ccc(C(C)C)cc2)cn1C	ZINC000058175775	570716301	/nfs/dbraw/zinc/71/63/01/570716301.db2.gz	OFZZGSYNCBXTRY-UHFFFAOYSA-N	-1	3	393.465	1.556	50	0		GDAAHM
Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1nnc([C@@H]2CCCO2)s1	ZINC000072402061	570738798	/nfs/dbraw/zinc/73/87/98/570738798.db2.gz	LAXQQYPHWASBRW-ZDUSSCGKSA-N	-1	3	387.421	1.752	50	0		GDAAHM
CC(C)c1ccc(N2CC[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])C2=O)cc1	ZINC000299751466	570828311	/nfs/dbraw/zinc/82/83/11/570828311.db2.gz	QOOPJXMQYKIAAV-KRWDZBQOSA-N	-1	3	375.469	1.638	50	0		GDAAHM
CCn1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c(C)n1	ZINC000091594997	571016643	/nfs/dbraw/zinc/01/66/43/571016643.db2.gz	WCBCELKSJDWPKW-AEFFLSMTSA-N	-1	3	391.516	1.154	50	0		GDAAHM
O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2	ZINC000095355436	571052025	/nfs/dbraw/zinc/05/20/25/571052025.db2.gz	XGCGBZJDYXBFFR-DZGCQCFKSA-N	-1	3	376.420	1.730	50	0		GDAAHM
COc1ccc([C@@H]2CN(C(=O)c3cnc(C)[n-]c3=O)[C@H]3[C@@H]2N2CCC3CC2)cc1	ZINC000095510182	571081517	/nfs/dbraw/zinc/08/15/17/571081517.db2.gz	HWPBJCZDMXAMPU-XUVXKRRUSA-N	-1	3	394.475	1.789	50	0		GDAAHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccccn1	ZINC000004937854	530537150	/nfs/dbraw/zinc/53/71/50/530537150.db2.gz	MZVAHPDVDZDADG-NSHDSACASA-N	-1	3	383.857	1.727	50	0		GDAAHM
O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000006722029	530542889	/nfs/dbraw/zinc/54/28/89/530542889.db2.gz	HFNUGFWTXFQTOO-UHFFFAOYSA-N	-1	3	383.470	1.514	50	0		GDAAHM
CC(C)N(C)S(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000032935917	530610594	/nfs/dbraw/zinc/61/05/94/530610594.db2.gz	SLOWZOSQCRRGOD-UHFFFAOYSA-N	-1	3	381.545	1.076	50	0		GDAAHM
CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1	ZINC000079111594	530808134	/nfs/dbraw/zinc/80/81/34/530808134.db2.gz	SKNCCVRCCCOUJH-UHFFFAOYSA-N	-1	3	388.854	1.991	50	0		GDAAHM
Cc1nc(C[N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(F)c2)cs1	ZINC000226686737	531032641	/nfs/dbraw/zinc/03/26/41/531032641.db2.gz	FUWPGYPNCPVCNQ-UHFFFAOYSA-N	-1	3	387.458	1.536	50	0		GDAAHM
CC(C)c1nc(S(=O)(=O)[N-]C[C@H](O)c2ccc3c(c2)OCCO3)cn1C	ZINC000253473432	212137805	/nfs/dbraw/zinc/13/78/05/212137805.db2.gz	UWGLPXVMQLPBEO-ZDUSSCGKSA-N	-1	3	381.454	1.327	50	0		GDAAHM
O=C(N[C@]1(C(F)(F)F)[N-]C(=O)N(Cc2cccnc2)C1=O)c1ccccc1F	ZINC000009305297	221077061	/nfs/dbraw/zinc/07/70/61/221077061.db2.gz	KSMDTBKGJZBRDA-INIZCTEOSA-N	-1	3	396.300	1.961	50	0		GDAAHM
CC(C)C[C@@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)N1CCOCC1	ZINC000012521086	221201947	/nfs/dbraw/zinc/20/19/47/221201947.db2.gz	AATQAONJBNUAER-KRWDZBQOSA-N	-1	3	383.514	1.535	50	0		GDAAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)NC1CCCC1	ZINC000012796462	221232620	/nfs/dbraw/zinc/23/26/20/221232620.db2.gz	YINMLZXXQQJVTG-VXGBXAGGSA-N	-1	3	386.445	1.483	50	0		GDAAHM
COc1ccc(CC(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1	ZINC000013686727	221281342	/nfs/dbraw/zinc/28/13/42/221281342.db2.gz	FFDKSJBKWWFUGU-UHFFFAOYSA-N	-1	3	389.415	1.976	50	0		GDAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccn(C)n1	ZINC000019078737	221394637	/nfs/dbraw/zinc/39/46/37/221394637.db2.gz	TZQFOEGLRFVVPG-CYBMUJFWSA-N	-1	3	394.482	1.366	50	0		GDAAHM
Cc1nc(C)c(CC(=O)N2CCN(c3ncnc4ccccc43)CC2)c(=O)[n-]1	ZINC000072423984	136169851	/nfs/dbraw/zinc/16/98/51/136169851.db2.gz	VSLICHIAYBTFMN-UHFFFAOYSA-N	-1	3	378.436	1.221	50	0		GDAAHM
COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1OC	ZINC000057521105	222034737	/nfs/dbraw/zinc/03/47/37/222034737.db2.gz	UFHNBMLINVIVNU-UHFFFAOYSA-N	-1	3	388.449	1.985	50	0		GDAAHM
COc1ccccc1CN1C[C@H](C(=O)NCc2ccncc2)C[C@H](C(=O)[O-])C1	ZINC000071682122	222186690	/nfs/dbraw/zinc/18/66/90/222186690.db2.gz	GFLZHSXOARBAQI-MSOLQXFVSA-N	-1	3	383.448	1.929	50	0		GDAAHM
CCc1nccn1CCC(=O)N1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1	ZINC000072168938	222215202	/nfs/dbraw/zinc/21/52/02/222215202.db2.gz	HEXFHMUMIFCPJX-UHFFFAOYSA-N	-1	3	378.436	1.566	50	0		GDAAHM
CC(C)=CCN1CCN(C(=O)c2cc(C)ccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000072424088	222259899	/nfs/dbraw/zinc/25/98/99/222259899.db2.gz	VCVZPXJHBFEARF-SJORKVTESA-N	-1	3	378.494	1.590	50	0		GDAAHM
O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC[C@H]1C(=O)N1CCCCC1	ZINC000097553168	570246126	/nfs/dbraw/zinc/24/61/26/570246126.db2.gz	UXBYLAQSHIVFJL-INIZCTEOSA-N	-1	3	384.436	1.360	50	0		GDAAHM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100070404	570265712	/nfs/dbraw/zinc/26/57/12/570265712.db2.gz	KPVNJWTUJVZBLZ-FUHWJXTLSA-N	-1	3	393.399	1.993	50	0		GDAAHM
COc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)nc(N2CCCC2)n1	ZINC000575607908	570330677	/nfs/dbraw/zinc/33/06/77/570330677.db2.gz	QVQANEVKNSRCDL-UHFFFAOYSA-N	-1	3	397.888	1.921	50	0		GDAAHM
Cn1ccc(C2CCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CC2)n1	ZINC000575617041	570359955	/nfs/dbraw/zinc/35/99/55/570359955.db2.gz	VPXMCONBHOPQKB-UHFFFAOYSA-N	-1	3	391.432	1.308	50	0		GDAAHM
CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1CCCN(c2ncccn2)C1	ZINC000024896506	570397932	/nfs/dbraw/zinc/39/79/32/570397932.db2.gz	HEEVQQFUVMHAQR-CYBMUJFWSA-N	-1	3	375.454	1.703	50	0		GDAAHM
CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000248080403	570438156	/nfs/dbraw/zinc/43/81/56/570438156.db2.gz	PDAPPZMPVIHFMQ-AJNGGQMLSA-N	-1	3	387.546	1.215	50	0	biogenic	GDAAHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	ZINC000248085056	570438600	/nfs/dbraw/zinc/43/86/00/570438600.db2.gz	RGPVJNHIMSQFEG-UYLCUJDWSA-N	-1	3	383.533	1.898	50	0	biogenic	GDAAHM
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)[N-]C2=NCCS2)C1=O	ZINC000005173996	570492774	/nfs/dbraw/zinc/49/27/74/570492774.db2.gz	QJBMSZQWEBGKNH-IBGZPJMESA-N	-1	3	382.445	1.826	50	0		GDAAHM
NC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C1	ZINC000072301825	570505451	/nfs/dbraw/zinc/50/54/51/570505451.db2.gz	NLVFMARSMQRXBY-JTQLQIEISA-N	-1	3	382.392	1.472	50	0		GDAAHM
COc1ccc(C2(c3noc(C[N-]S(C)(=O)=O)n3)CCCC2)cc1OC	ZINC000225554756	570587524	/nfs/dbraw/zinc/58/75/24/570587524.db2.gz	OXOBRTVWYHZBQG-UHFFFAOYSA-N	-1	3	381.454	1.996	50	0		GDAAHM
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1	ZINC000005173034	570659817	/nfs/dbraw/zinc/65/98/17/570659817.db2.gz	JVTMKAHQLAVIOR-UHFFFAOYSA-N	-1	3	393.446	1.592	50	0		GDAAHM
Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1	ZINC000206791982	570752741	/nfs/dbraw/zinc/75/27/41/570752741.db2.gz	VUDZVXNUEAAUCV-LLVKDONJSA-N	-1	3	375.376	1.391	50	0		GDAAHM
CCOC(=O)[N-]C(=O)C(=CNc1ccccc1OC)C(=O)NC(=O)OCC	ZINC000004419723	570753207	/nfs/dbraw/zinc/75/32/07/570753207.db2.gz	RFNKBUMEGBPNFD-UHFFFAOYSA-N	-1	3	379.369	1.536	50	0		GDAAHM
COc1c[n-]c(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1=O	ZINC000524732834	570767653	/nfs/dbraw/zinc/76/76/53/570767653.db2.gz	RVZLNVBJNVBKHN-UHFFFAOYSA-N	-1	3	377.422	1.566	50	0		GDAAHM
O=C(CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)NC[C@H]1CCCO1	ZINC000036712355	570803001	/nfs/dbraw/zinc/80/30/01/570803001.db2.gz	ZRQWDWFASMRVRW-CQSZACIVSA-N	-1	3	399.476	1.555	50	0		GDAAHM
COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1	ZINC000005688786	570810339	/nfs/dbraw/zinc/81/03/39/570810339.db2.gz	WZQUPCFOVWUDQD-UHFFFAOYSA-N	-1	3	397.884	1.980	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(OC)cc1OC	ZINC000031618230	570818325	/nfs/dbraw/zinc/81/83/25/570818325.db2.gz	UWCGUXPIOQTMOL-UHFFFAOYSA-N	-1	3	393.421	1.613	50	0		GDAAHM
COC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)NCCCc1ccccc1	ZINC000031618303	570818365	/nfs/dbraw/zinc/81/83/65/570818365.db2.gz	NMQGYEHGDPWCDD-UHFFFAOYSA-N	-1	3	375.450	1.706	50	0		GDAAHM
Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)on1	ZINC000014572198	570849732	/nfs/dbraw/zinc/84/97/32/570849732.db2.gz	JOQHPXKJPVKXHX-LLVKDONJSA-N	-1	3	386.364	1.219	50	0		GDAAHM
COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)cc1C	ZINC000072149070	570872679	/nfs/dbraw/zinc/87/26/79/570872679.db2.gz	HZQVHFKUZILFKD-ZDUSSCGKSA-N	-1	3	385.420	1.424	50	0		GDAAHM
Cc1ccc([C@@H](CNC(=O)c2ccccc2-c2nnn[n-]2)N2CCOCC2)o1	ZINC000299761710	570893002	/nfs/dbraw/zinc/89/30/02/570893002.db2.gz	ZEBZNJXJJPQVPF-MRXNPFEDSA-N	-1	3	382.424	1.571	50	0		GDAAHM
Cc1ccc([C@@H](CNC(=O)c2ccccc2-c2nn[n-]n2)N2CCOCC2)o1	ZINC000299761710	570893003	/nfs/dbraw/zinc/89/30/03/570893003.db2.gz	ZEBZNJXJJPQVPF-MRXNPFEDSA-N	-1	3	382.424	1.571	50	0		GDAAHM
O=C(N[C@H]1CCS(=O)(=O)C1)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O	ZINC000044903304	570982271	/nfs/dbraw/zinc/98/22/71/570982271.db2.gz	VJCKLLJNEDUWNP-QMMMGPOBSA-N	-1	3	390.339	1.344	50	0		GDAAHM
CCc1[nH]nc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)c1C	ZINC000091474726	571010374	/nfs/dbraw/zinc/01/03/74/571010374.db2.gz	PNUCAJXGFOCLCJ-WBVHZDCISA-N	-1	3	391.516	1.223	50	0		GDAAHM
CSc1nc(=O)[n-]c(C)c1C(=O)OCC(=O)N(C)Cc1ccccc1C	ZINC000084235839	571010672	/nfs/dbraw/zinc/01/06/72/571010672.db2.gz	ZWLVDIZFFQJVMT-UHFFFAOYSA-N	-1	3	375.450	1.924	50	0		GDAAHM
CN1CCN([C@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@H]2CCC(=O)[O-])CC1	ZINC000091872327	571034298	/nfs/dbraw/zinc/03/42/98/571034298.db2.gz	QGZGXRWGMWNAEZ-MJGOQNOKSA-N	-1	3	391.487	1.698	50	0		GDAAHM
NC(=O)C1(N2CCCCC2)CCN([C@H](C(=O)[O-])c2ccc(N)c(F)c2)CC1	ZINC000095372010	571061765	/nfs/dbraw/zinc/06/17/65/571061765.db2.gz	QKXSPDCELPXTAD-INIZCTEOSA-N	-1	3	378.448	1.339	50	0		GDAAHM