smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000001087381	203882638	/nfs/dbraw/zinc/88/26/38/203882638.db2.gz	WKKWSEXHLVCNFV-UHFFFAOYSA-N	-1	1	398.400	2.228	40	0		GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1	ZINC000005126937	204114000	/nfs/dbraw/zinc/11/40/00/204114000.db2.gz	LGRDRRJIZQGMDI-UHFFFAOYSA-N	-1	1	398.506	2.445	40	0		GEABMM
CO[C@@H](C(=O)N1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1)c1ccccc1	ZINC000012113725	204372835	/nfs/dbraw/zinc/37/28/35/204372835.db2.gz	AUICNLDQYKNMLQ-GOSISDBHSA-N	-1	1	382.464	2.033	40	0		GEABMM
O=C(c1ccc2c(c1)OCO2)N1CCc2nc(-c3ccccc3)[n-]c(=O)c2C1	ZINC000012144704	204375791	/nfs/dbraw/zinc/37/57/91/204375791.db2.gz	HIMBLMADMBRRCU-UHFFFAOYSA-N	-1	1	375.384	2.364	40	0		GEABMM
Cc1ccc(CC(=O)N2CCc3nc(-c4cnc(C)cn4)[n-]c(=O)c3C2)cc1	ZINC000012258519	204387885	/nfs/dbraw/zinc/38/78/85/204387885.db2.gz	UCAGUZRCBGEZAB-UHFFFAOYSA-N	-1	1	375.432	2.383	40	0		GEABMM
COC(=O)c1ccc(NCCCO)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000223418128	206000067	/nfs/dbraw/zinc/00/00/67/206000067.db2.gz	OAGSVZSZVNQLDX-UHFFFAOYSA-N	-1	1	394.449	2.077	40	0		GEABMM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1	ZINC000224935903	206030898	/nfs/dbraw/zinc/03/08/98/206030898.db2.gz	SMONDVYXHKTTBT-UHFFFAOYSA-N	-1	1	380.491	2.491	40	0		GEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1C	ZINC000225675506	206066360	/nfs/dbraw/zinc/06/63/60/206066360.db2.gz	ZAIBFJRNVPFJBT-UHFFFAOYSA-N	-1	1	392.458	2.496	40	0		GEABMM
O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CCN1CCOCC1	ZINC000012481217	560212190	/nfs/dbraw/zinc/21/21/90/560212190.db2.gz	DYBHWMZEXVELDI-IRXDYDNUSA-N	-1	1	378.444	2.101	40	0	biogenic,in-vitro	GEABMM
Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000020800153	570281322	/nfs/dbraw/zinc/28/13/22/570281322.db2.gz	HMIYWVUCTFPWJP-CQSZACIVSA-N	-1	1	381.436	2.133	40	0		GEABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1	ZINC000022610043	570323078	/nfs/dbraw/zinc/32/30/78/570323078.db2.gz	ZMGPQTJAHVKHRE-CQSZACIVSA-N	-1	1	381.436	2.071	40	0		GEABMM
Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610256	570323175	/nfs/dbraw/zinc/32/31/75/570323175.db2.gz	WOVYOKCSHHKNDB-CQSZACIVSA-N	-1	1	395.463	2.379	40	0		GEABMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCOCC1	ZINC000408626226	570377748	/nfs/dbraw/zinc/37/77/48/570377748.db2.gz	VCZLTUYIYQLUDL-UHFFFAOYSA-N	-1	1	378.425	2.407	40	0		GEABMM
CNS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1	ZINC000222994892	570435876	/nfs/dbraw/zinc/43/58/76/570435876.db2.gz	RHWIWWUQOVZTKJ-UHFFFAOYSA-N	-1	1	384.479	2.021	40	0		GEABMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)OCCO3)oc(=O)n2C	ZINC000223337231	570459425	/nfs/dbraw/zinc/45/94/25/570459425.db2.gz	XPKKYMMDTLEMJB-UHFFFAOYSA-N	-1	1	376.390	2.012	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2	ZINC000004944402	570645648	/nfs/dbraw/zinc/64/56/48/570645648.db2.gz	MFSAQYSOFNFEQE-SECBINFHSA-N	-1	1	377.422	2.079	40	0		GEABMM
COc1cc(CNn2c(-c3ccccc3)n[n-]c2=S)ccc1OCC(N)=O	ZINC000008471022	570769132	/nfs/dbraw/zinc/76/91/32/570769132.db2.gz	JMVKMRFLQDPCFN-UHFFFAOYSA-N	-1	1	385.449	2.224	40	0		GEABMM
O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000409125982	231166867	/nfs/dbraw/zinc/16/68/67/231166867.db2.gz	DIWIKAYJRDPBBA-KHAFMBKQSA-N	-1	1	385.445	2.260	40	0		GEABMM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)NC[C@H]1CCCO1	ZINC000409218020	231182686	/nfs/dbraw/zinc/18/26/86/231182686.db2.gz	SDEMRIPFIVULQU-DKTFCQPKSA-N	-1	1	396.852	2.377	40	0		GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1	ZINC000010008778	204328461	/nfs/dbraw/zinc/32/84/61/204328461.db2.gz	STEAWIYUGJBSGV-UHFFFAOYSA-N	-1	1	392.433	2.032	40	0		GEABMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cn4ccnc4)cc3)cc2oc1=O	ZINC000012147672	204377126	/nfs/dbraw/zinc/37/71/26/204377126.db2.gz	BNXWGNNWIOAIMA-UHFFFAOYSA-N	-1	1	384.417	2.177	40	0		GEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1	ZINC000012200110	204382556	/nfs/dbraw/zinc/38/25/56/204382556.db2.gz	TXXUYQUBXNXKSS-UHFFFAOYSA-N	-1	1	387.417	2.099	40	0		GEABMM
CCc1nnc([N-]c2cc([C@H]3CCCN3C(=O)CN(C)C)nc(C)n2)s1	ZINC000072382779	205339391	/nfs/dbraw/zinc/33/93/91/205339391.db2.gz	AGJLFKGHLJESII-CYBMUJFWSA-N	-1	1	375.502	2.168	40	0		GEABMM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1	ZINC000223671194	206004972	/nfs/dbraw/zinc/00/49/72/206004972.db2.gz	BASQGCRTXRZQKV-UHFFFAOYSA-N	-1	1	394.474	2.018	40	0		GEABMM
Cc1cc2nc([C@@H](NCc3ccc(N4CCOCC4)nc3)C(C)C)cc(=O)n2[n-]1	ZINC000100217737	136189146	/nfs/dbraw/zinc/18/91/46/136189146.db2.gz	UXICEOMBTRXKQB-NRFANRHFSA-N	-1	1	396.495	2.462	40	0		GEABMM
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000019961210	570233857	/nfs/dbraw/zinc/23/38/57/570233857.db2.gz	SPRGSUQOKMVOMB-AWEZNQCLSA-N	-1	1	381.436	2.051	40	0		GEABMM
COC(=O)c1ccc(NCCCO)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000223410248	570464980	/nfs/dbraw/zinc/46/49/80/570464980.db2.gz	OPIUSYUGKGEXOW-UHFFFAOYSA-N	-1	1	378.450	2.377	40	0		GEABMM
CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCC(N)=O	ZINC000008339034	570768111	/nfs/dbraw/zinc/76/81/11/570768111.db2.gz	LEUYFDYPLQKODT-UHFFFAOYSA-N	-1	1	385.877	2.163	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2cccs2)CC4=O)n1	ZINC000013639712	570862598	/nfs/dbraw/zinc/86/25/98/570862598.db2.gz	HDLAGRUARWNABZ-SNVBAGLBSA-N	-1	1	393.428	2.492	40	0		GEABMM
COc1ccc(CN2CCc3c(=O)[n-]c(-c4cnc(C)cn4)nc3C2)c(F)c1	ZINC000019239056	570968407	/nfs/dbraw/zinc/96/84/07/570968407.db2.gz	AZGJRZDZPFUPOJ-UHFFFAOYSA-N	-1	1	381.411	2.241	40	0		GEABMM
O=C1C(=C2C(=O)[N-]C(=S)NC2=O)c2ccccc2N1Cc1ccccc1Cl	ZINC000409390785	231200675	/nfs/dbraw/zinc/20/06/75/231200675.db2.gz	VTTLJCOZHMTUEB-UHFFFAOYSA-N	-1	1	397.843	2.171	40	0		GEABMM
CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1	ZINC000223027976	222623995	/nfs/dbraw/zinc/62/39/95/222623995.db2.gz	UJLQVKJDNRJMTI-UHFFFAOYSA-N	-1	1	376.390	2.028	40	0		GEABMM
O=C1[N-]C(=S)NC(=O)C12[C@H](c1ccccc1)CC(O)C[C@H]2c1ccccc1	ZINC000005947683	204159110	/nfs/dbraw/zinc/15/91/10/204159110.db2.gz	IGNJAMPCGBJXJL-IRXDYDNUSA-N	-1	1	380.469	2.226	40	0		GEABMM
CC(C)(C)OC(=O)[C@@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)[C@H]1N	ZINC000071186636	205278092	/nfs/dbraw/zinc/27/80/92/205278092.db2.gz	QEYMLMNDJRIONC-KUHUBIRLSA-N	-1	1	378.425	2.117	40	0		GEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)cc3)n2)c(OC)c1	ZINC000223767162	206005382	/nfs/dbraw/zinc/00/53/82/206005382.db2.gz	PHLDTSZOVTZSKU-UHFFFAOYSA-N	-1	1	393.396	2.371	40	0		GEABMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2sc1=O	ZINC000225674432	206066369	/nfs/dbraw/zinc/06/63/69/206066369.db2.gz	QHBWUZLFTQBLAZ-UHFFFAOYSA-N	-1	1	378.431	2.172	40	0		GEABMM
CCOc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O	ZINC000252587008	206145836	/nfs/dbraw/zinc/14/58/36/206145836.db2.gz	VCAXNSSSFNQRAG-WRWLIDTKSA-N	-1	1	390.436	2.226	40	0		GEABMM
O=C([O-])COc1ccc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1	ZINC000012122041	221154978	/nfs/dbraw/zinc/15/49/78/221154978.db2.gz	BISQFJBWKVLRMD-UHFFFAOYSA-N	-1	1	392.415	2.266	40	0		GEABMM
Cc1cc2nc([C@H](NCc3ccc(N4CCOCC4)nc3)C(C)C)cc(=O)n2[n-]1	ZINC000100217736	136189154	/nfs/dbraw/zinc/18/91/54/136189154.db2.gz	UXICEOMBTRXKQB-OAQYLSRUSA-N	-1	1	396.495	2.462	40	0		GEABMM
CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000020800161	570281196	/nfs/dbraw/zinc/28/11/96/570281196.db2.gz	OWHWYYWRVGQYEG-CQSZACIVSA-N	-1	1	395.463	2.387	40	0		GEABMM
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022609927	570323308	/nfs/dbraw/zinc/32/33/08/570323308.db2.gz	NLLUUQAKIDFDAA-ZDUSSCGKSA-N	-1	1	381.436	2.133	40	0		GEABMM
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610258	570323327	/nfs/dbraw/zinc/32/33/27/570323327.db2.gz	WOVYOKCSHHKNDB-AWEZNQCLSA-N	-1	1	395.463	2.379	40	0		GEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1C	ZINC000028249683	570453191	/nfs/dbraw/zinc/45/31/91/570453191.db2.gz	YNGCWIZBFMLCCZ-UHFFFAOYSA-N	-1	1	388.445	2.491	40	0		GEABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2oc1=O	ZINC000223356394	570461304	/nfs/dbraw/zinc/46/13/04/570461304.db2.gz	WFTRTAAAWGQZLC-UHFFFAOYSA-N	-1	1	376.390	2.452	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccco2)CC4=O)n1	ZINC000013639708	570862626	/nfs/dbraw/zinc/86/26/26/570862626.db2.gz	QWKPLXYBEGVDSD-SNVBAGLBSA-N	-1	1	377.360	2.024	40	0		GEABMM
COc1cc(C)ccc1C[N@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1	ZINC000019134123	570958568	/nfs/dbraw/zinc/95/85/68/570958568.db2.gz	FEEMCMHKNXNXAU-UHFFFAOYSA-N	-1	1	377.448	2.145	40	0		GEABMM
C[C@H](NC(=O)CN1Cc2ccccc2C1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019458413	570988188	/nfs/dbraw/zinc/98/81/88/570988188.db2.gz	MGSROFCSMOTZEA-AWEZNQCLSA-N	-1	1	375.432	2.025	40	0		GEABMM
O=C1[N-]C(=S)NC(=O)C12[C@@H](c1ccccc1)C[C@H](O)C[C@H]2c1ccccc1	ZINC000247853329	571094885	/nfs/dbraw/zinc/09/48/85/571094885.db2.gz	IGNJAMPCGBJXJL-BJWYYQGGSA-N	-1	1	380.469	2.226	40	0		GEABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2[nH]c1=O	ZINC000013582107	531560938	/nfs/dbraw/zinc/56/09/38/531560938.db2.gz	DQDDOCCFOOOWKX-UHFFFAOYSA-N	-1	1	386.216	2.324	40	0		GEABMM
CCCn1cnc2sc(C(=O)[N-]c3nnc(COC)s3)c(C)c2c1=O	ZINC000019526132	531577583	/nfs/dbraw/zinc/57/75/83/531577583.db2.gz	KKVVJNIJJGQEKI-UHFFFAOYSA-N	-1	1	379.467	2.427	40	0		GEABMM
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388825	570743863	/nfs/dbraw/zinc/74/38/63/570743863.db2.gz	BMTCFXFLDAOMAU-ZFWWWQNUSA-N	-1	1	395.463	2.379	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)ccc1OC	ZINC000013678532	570772699	/nfs/dbraw/zinc/77/26/99/570772699.db2.gz	CYYRHLMZDKXMRL-UHFFFAOYSA-N	-1	1	392.433	2.032	40	0		GEABMM
CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2	ZINC000019498791	570991831	/nfs/dbraw/zinc/99/18/31/570991831.db2.gz	GSGBCMMAMLKOMI-CQSZACIVSA-N	-1	1	386.477	2.103	40	0		GEABMM
COc1ccccc1CC(=O)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1	ZINC000019569461	571009131	/nfs/dbraw/zinc/00/91/31/571009131.db2.gz	SCNXXNJTMHQPBM-MRXNPFEDSA-N	-1	1	390.443	2.399	40	0		GEABMM
O=C(Cc1c[nH]c2ccccc12)N1CCc2c(=O)[n-]c(N3CCCCC3)nc2C1	ZINC000012181417	204378645	/nfs/dbraw/zinc/37/86/45/204378645.db2.gz	GFIPGZWYQYFIBR-UHFFFAOYSA-N	-1	1	391.475	2.369	40	0		GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1	ZINC000055549425	205148703	/nfs/dbraw/zinc/14/87/03/205148703.db2.gz	HZZRISXARGWFRH-UHFFFAOYSA-N	-1	1	390.461	2.343	40	0		GEABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C	ZINC000223670954	206004354	/nfs/dbraw/zinc/00/43/54/206004354.db2.gz	KEAMJINEUXKSGC-UHFFFAOYSA-N	-1	1	397.474	2.376	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1	ZINC000223982001	206011096	/nfs/dbraw/zinc/01/10/96/206011096.db2.gz	BTOYCDINVDQVKO-QGZVFWFLSA-N	-1	1	390.461	2.405	40	0		GEABMM
CCOc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O	ZINC000230217495	206212175	/nfs/dbraw/zinc/21/21/75/206212175.db2.gz	VCAXNSSSFNQRAG-MDYRTPRTSA-N	-1	1	390.436	2.226	40	0		GEABMM
Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223053982	136205545	/nfs/dbraw/zinc/20/55/45/136205545.db2.gz	LVKCSDJUQSMSFS-TZMCWYRMSA-N	-1	1	395.463	2.379	40	0		GEABMM
CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc([O-])c(Br)c2)s1	ZINC000102964694	570384241	/nfs/dbraw/zinc/38/42/41/570384241.db2.gz	COUYKKHBFFQNOB-FHGRNIPQSA-N	-1	1	382.279	2.129	40	0		GEABMM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1	ZINC000223337627	570459453	/nfs/dbraw/zinc/45/94/53/570459453.db2.gz	AIHZUNOVQDEHPF-UHFFFAOYSA-N	-1	1	376.390	2.027	40	0		GEABMM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1	ZINC000013948403	570807772	/nfs/dbraw/zinc/80/77/72/570807772.db2.gz	YJDAMEZHJGXAQJ-UHFFFAOYSA-N	-1	1	396.475	2.140	40	0		GEABMM
N[C@@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218219712	570817004	/nfs/dbraw/zinc/81/70/04/570817004.db2.gz	NFBRGYBLEKQUDP-DZKIICNBSA-N	-1	1	396.262	2.171	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccco2)CC4=O)n1	ZINC000013639706	570862723	/nfs/dbraw/zinc/86/27/23/570862723.db2.gz	QWKPLXYBEGVDSD-JTQLQIEISA-N	-1	1	377.360	2.024	40	0		GEABMM
COc1cccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1	ZINC000019564049	571006304	/nfs/dbraw/zinc/00/63/04/571006304.db2.gz	GFDZXQYQOHXLOG-INIZCTEOSA-N	-1	1	390.443	2.399	40	0		GEABMM
Cc1ccc2c([O-])c(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cnc2n1	ZINC000019666359	571027946	/nfs/dbraw/zinc/02/79/46/571027946.db2.gz	DFMVBFYRWQGNLX-INIZCTEOSA-N	-1	1	378.432	2.448	40	0		GEABMM
Cc1ccc2c(n1)[n-]cc(C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)c2=O	ZINC000019666359	571027948	/nfs/dbraw/zinc/02/79/48/571027948.db2.gz	DFMVBFYRWQGNLX-INIZCTEOSA-N	-1	1	378.432	2.448	40	0		GEABMM
CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)NCCOC)c21	ZINC000409138291	529548812	/nfs/dbraw/zinc/54/88/12/529548812.db2.gz	ZPWOEXIQYBQMHE-DHDCSXOGSA-N	-1	1	387.461	2.290	40	0		GEABMM
O=C(CO)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1	ZINC000257326403	206179804	/nfs/dbraw/zinc/17/98/04/206179804.db2.gz	WXCUFFUTOKVDTE-UHFFFAOYSA-N	-1	1	381.358	2.332	40	0		GEABMM
C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(NCC(=O)[O-])COC1	ZINC000306145547	206208135	/nfs/dbraw/zinc/20/81/35/206208135.db2.gz	IFBPUJPQVWCHGE-CQSZACIVSA-N	-1	1	396.443	2.357	40	0		GEABMM
O=C1CSCN1n1c(=O)c(C=Cc2c(O)ccc3ccccc32)n[n-]c1=S	ZINC000005635565	570272227	/nfs/dbraw/zinc/27/22/27/570272227.db2.gz	LJMMKJSKACNBPE-VOTSOKGWSA-N	-1	1	398.469	2.499	40	0		GEABMM
CCOc1cc2c(cc1CN1CCc3nc4cc(C)[n-]n4c(=O)c3CC1)OCO2	ZINC000100775113	570277741	/nfs/dbraw/zinc/27/77/41/570277741.db2.gz	WKXMLAHQGUTTJU-UHFFFAOYSA-N	-1	1	396.447	2.472	40	0		GEABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1	ZINC000055558189	570351562	/nfs/dbraw/zinc/35/15/62/570351562.db2.gz	FVYCZGRNVAFNBO-UHFFFAOYSA-N	-1	1	381.406	2.056	40	0		GEABMM
COC(=O)[C@](O)(c1ccc(N2C(=O)C3=CCC=C[C@@H]3C2=O)c(C)c1)C(F)(F)F	ZINC000105337173	570426527	/nfs/dbraw/zinc/42/65/27/570426527.db2.gz	IRRYFWCAEKAMGR-FHSNZYRGSA-N	-1	1	395.333	2.150	40	0		GEABMM
CO[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)C1	ZINC000036719532	570561725	/nfs/dbraw/zinc/56/17/25/570561725.db2.gz	WSKVKLAKVDKOJV-OWCLPIDISA-N	-1	1	382.464	2.353	40	0		GEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2	ZINC000004944400	570645625	/nfs/dbraw/zinc/64/56/25/570645625.db2.gz	BNAHFVWWFDBASG-SNVBAGLBSA-N	-1	1	391.449	2.469	40	0		GEABMM
C=C1N=C(SCC(=O)[O-])N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC	ZINC000033690291	570910272	/nfs/dbraw/zinc/91/02/72/570910272.db2.gz	GQSKQCSQQCSCNC-INIZCTEOSA-N	-1	1	394.449	2.359	40	0		GEABMM
O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000016740476	570932031	/nfs/dbraw/zinc/93/20/31/570932031.db2.gz	WFDPANFRQHAACC-UHFFFAOYSA-N	-1	1	389.481	2.092	40	0		GEABMM
O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)c1cnccn1	ZINC000019369422	570980685	/nfs/dbraw/zinc/98/06/85/570980685.db2.gz	IJGLZMXTIBNHAT-GOSISDBHSA-N	-1	1	398.426	2.336	40	0		GEABMM
CCOc1cc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O	ZINC000095101363	571049727	/nfs/dbraw/zinc/04/97/27/571049727.db2.gz	VCAXNSSSFNQRAG-RIFZZMRRSA-N	-1	1	390.436	2.226	40	0		GEABMM
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242498495	532519151	/nfs/dbraw/zinc/51/91/51/532519151.db2.gz	HIKHPTMUUGBXQG-INMHGKMJSA-N	-1	1	381.837	2.070	40	0		GEABMM
O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3N3CCOCC3)ccc2N1	ZINC000005252549	204121894	/nfs/dbraw/zinc/12/18/94/204121894.db2.gz	RRXOJQGMBITWCZ-UHFFFAOYSA-N	-1	1	387.461	2.209	40	0		GEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)ccc1C	ZINC000225067392	206036150	/nfs/dbraw/zinc/03/61/50/206036150.db2.gz	OXFVPCQTUVLICY-UHFFFAOYSA-N	-1	1	392.458	2.496	40	0		GEABMM
CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1	ZINC000408563021	528046738	/nfs/dbraw/zinc/04/67/38/528046738.db2.gz	SXFUENFYENXAHW-UHFFFAOYSA-N	-1	1	390.465	2.460	40	0		GEABMM
C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2	ZINC000040388992	570599927	/nfs/dbraw/zinc/59/99/27/570599927.db2.gz	KTORHEMIPGMQEM-OCCSQVGLSA-N	-1	1	381.436	2.213	40	0		GEABMM
O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCC3)[n-]c(=O)c2C1	ZINC000019014982	570954063	/nfs/dbraw/zinc/95/40/63/570954063.db2.gz	OGNAJXPJQZFWMJ-KRWDZBQOSA-N	-1	1	384.480	2.331	40	0		GEABMM
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2	ZINC000019498853	570991793	/nfs/dbraw/zinc/99/17/93/570991793.db2.gz	BXFKFZOLVZIVFP-QGZVFWFLSA-N	-1	1	386.496	2.308	40	0		GEABMM
COc1ccc(OC)c(CN2CCc3c(nc(-c4ccccn4)[n-]c3=O)C2)c1	ZINC000019551655	571001258	/nfs/dbraw/zinc/00/12/58/571001258.db2.gz	PCXMIQLUONBQOQ-UHFFFAOYSA-N	-1	1	378.432	2.407	40	0		GEABMM
COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000409044608	231150325	/nfs/dbraw/zinc/15/03/25/231150325.db2.gz	WFMZCXRRQYUWDX-XBXARRHUSA-N	-1	1	376.004	2.401	40	0		GEABMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1	ZINC000408600360	529918112	/nfs/dbraw/zinc/91/81/12/529918112.db2.gz	AHDKJCYKFWYYAO-LBPRGKRZSA-N	-1	1	394.449	2.018	40	0		GEABMM
COc1ccc(CC(=O)N2CCc3nc(-c4cnc(C)cn4)[n-]c(=O)c3C2)cc1	ZINC000012258517	204387785	/nfs/dbraw/zinc/38/77/85/204387785.db2.gz	CBUTXHNHICSEBV-UHFFFAOYSA-N	-1	1	391.431	2.084	40	0		GEABMM
CSc1nc(C)c(CC(=O)N2CCC(O)(c3ccccc3C)CC2)c(=O)[n-]1	ZINC000012325357	204397687	/nfs/dbraw/zinc/39/76/87/204397687.db2.gz	RZUFGZSNVNUZAJ-UHFFFAOYSA-N	-1	1	387.505	2.161	40	0		GEABMM
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000040390671	205062695	/nfs/dbraw/zinc/06/26/95/205062695.db2.gz	YUIKXOIQJAICDY-CYBMUJFWSA-N	-1	1	381.436	2.051	40	0		GEABMM
CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000062184035	205185883	/nfs/dbraw/zinc/18/58/83/205185883.db2.gz	BJKVPASNWUSVMZ-UHFFFAOYSA-N	-1	1	377.441	2.014	40	0		GEABMM
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000019961206	570233766	/nfs/dbraw/zinc/23/37/66/570233766.db2.gz	SPRGSUQOKMVOMB-CQSZACIVSA-N	-1	1	381.436	2.051	40	0		GEABMM
O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)[n-]c(=O)c2C1	ZINC000019014985	570954013	/nfs/dbraw/zinc/95/40/13/570954013.db2.gz	OGNAJXPJQZFWMJ-QGZVFWFLSA-N	-1	1	384.480	2.331	40	0		GEABMM
COc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc2c1OCO2	ZINC000019549965	571000200	/nfs/dbraw/zinc/00/02/00/571000200.db2.gz	CQIRIQWLBHPEDG-UHFFFAOYSA-N	-1	1	392.415	2.128	40	0		GEABMM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000408589148	529917934	/nfs/dbraw/zinc/91/79/34/529917934.db2.gz	DRRXQXHTGSFOGF-ZDUSSCGKSA-N	-1	1	376.434	2.203	40	0		GEABMM
CCNc1nc(C(F)(F)F)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328969468	532801276	/nfs/dbraw/zinc/80/12/76/532801276.db2.gz	DEKWZCHDGZTMBC-UHFFFAOYSA-N	-1	1	377.348	2.613	40	0		GEABMM
CCOc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O	ZINC000095101364	209120097	/nfs/dbraw/zinc/12/00/97/209120097.db2.gz	VCAXNSSSFNQRAG-SYNHAJSKSA-N	-1	1	390.436	2.226	40	0		GEABMM
COc1cc2c(cc1CN1CCc3nc(-c4ccccn4)[n-]c(=O)c3C1)OCO2	ZINC000019550581	207130115	/nfs/dbraw/zinc/13/01/15/207130115.db2.gz	BISXGOYUIIFSPF-UHFFFAOYSA-N	-1	1	392.415	2.128	40	0		GEABMM
Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610162	207258086	/nfs/dbraw/zinc/25/80/86/207258086.db2.gz	UIXCERNVYIVKDM-OAHLLOKOSA-N	-1	1	395.463	2.379	40	0		GEABMM
COc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC	ZINC000095101345	208154544	/nfs/dbraw/zinc/15/45/44/208154544.db2.gz	WNQNPFIXDVOIQF-XAUMDUMWSA-N	-1	1	390.436	2.139	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)c1	ZINC000408592901	533620810	/nfs/dbraw/zinc/62/08/10/533620810.db2.gz	PAUHKCUIEUDUFO-UHFFFAOYSA-N	-1	1	378.450	2.399	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1	ZINC000408602145	533621010	/nfs/dbraw/zinc/62/10/10/533621010.db2.gz	HYPXMIRQLMRBPN-UHFFFAOYSA-N	-1	1	390.461	2.497	40	0		GEABMM
CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1	ZINC000222999533	570436410	/nfs/dbraw/zinc/43/64/10/570436410.db2.gz	QLFXEAWXRLYJNY-UHFFFAOYSA-N	-1	1	377.422	2.084	40	0		GEABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c1	ZINC000223306578	570457593	/nfs/dbraw/zinc/45/75/93/570457593.db2.gz	NLIXGFBBRHBTOO-UHFFFAOYSA-N	-1	1	376.434	2.157	40	0		GEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)c(OC)c1	ZINC000223775296	570483947	/nfs/dbraw/zinc/48/39/47/570483947.db2.gz	ZRFPCZHQCQVENV-UHFFFAOYSA-N	-1	1	381.435	2.294	40	0		GEABMM
CO[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)C1	ZINC000036719530	570561778	/nfs/dbraw/zinc/56/17/78/570561778.db2.gz	WSKVKLAKVDKOJV-HRCADAONSA-N	-1	1	382.464	2.353	40	0		GEABMM
O=C(NC1CCCCC1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399253	570603058	/nfs/dbraw/zinc/60/30/58/570603058.db2.gz	OFBLZWHQPHDEJU-AWEZNQCLSA-N	-1	1	381.436	2.388	40	0		GEABMM
COc1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1OC	ZINC000055555422	570696586	/nfs/dbraw/zinc/69/65/86/570696586.db2.gz	DHDJVRRIFWCADS-UHFFFAOYSA-N	-1	1	378.450	2.183	40	0		GEABMM
N[C@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218219513	570816987	/nfs/dbraw/zinc/81/69/87/570816987.db2.gz	NFBRGYBLEKQUDP-IJEWVQPXSA-N	-1	1	396.262	2.171	40	0		GEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000252515761	645566215	/nfs/dbraw/zinc/56/62/15/645566215.db2.gz	NFBRGYBLEKQUDP-SQWLQELKSA-N	-1	1	396.262	2.171	40	0		GEABMM
CCOc1ccc(CC[N-]S(=O)(=O)c2c(C)nn(C)c2F)cc1OCC	ZINC000252508018	209111478	/nfs/dbraw/zinc/11/14/78/209111478.db2.gz	XALKCCWJMMVQQT-UHFFFAOYSA-N	-1	1	385.461	2.186	40	0		GEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)NC(C)C	ZINC000408587446	534212878	/nfs/dbraw/zinc/21/28/78/534212878.db2.gz	BWLWVXFSHJWZEG-UHFFFAOYSA-N	-1	1	375.450	2.033	40	0		GEABMM
CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1C	ZINC000408602131	528443611	/nfs/dbraw/zinc/44/36/11/528443611.db2.gz	HWQLHSCCQVGYKT-UHFFFAOYSA-N	-1	1	375.450	2.035	40	0		GEABMM
O=c1c2c(ccn1-c1n[n-]c(=S)[nH]1)nc1ncnn1c2-c1ccc(Cl)cc1	ZINC000102336694	570288479	/nfs/dbraw/zinc/28/84/79/570288479.db2.gz	SVZQFJRGUKIWEM-UHFFFAOYSA-N	-1	1	396.823	2.156	40	0		GEABMM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1	ZINC000225683178	570602914	/nfs/dbraw/zinc/60/29/14/570602914.db2.gz	GPJCELYRHVGQGL-UHFFFAOYSA-N	-1	1	391.474	2.103	40	0		GEABMM
O=C(c1nccc2ccccc21)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000012181485	570619326	/nfs/dbraw/zinc/61/93/26/570619326.db2.gz	GLSJLMHTPLSOLF-UHFFFAOYSA-N	-1	1	375.432	2.117	40	0		GEABMM
CSc1nc(C)c(CC(=O)N2CCC(O)(c3cccc(C)c3)CC2)c(=O)[n-]1	ZINC000012325319	570643338	/nfs/dbraw/zinc/64/33/38/570643338.db2.gz	OZMMGPFKPAZEJT-UHFFFAOYSA-N	-1	1	387.505	2.161	40	0		GEABMM
CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCOCC3)c21	ZINC000409134825	529549056	/nfs/dbraw/zinc/54/90/56/529549056.db2.gz	PNFZRIVLDCKCRL-YBEGLDIGSA-N	-1	1	399.472	2.386	40	0		GEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225677267	532487909	/nfs/dbraw/zinc/48/79/09/532487909.db2.gz	KYDOHHUWPKAGBR-UHFFFAOYSA-N	-1	1	378.431	2.187	40	0		GEABMM
O=C1C[C@H](c2ccccc2)C2(C(=O)[N-]C(=S)NC2=O)[C@H](c2ccccc2)C1	ZINC000006581924	206294209	/nfs/dbraw/zinc/29/42/09/206294209.db2.gz	FXBREMWELLLXKZ-CALCHBBNSA-N	-1	1	378.453	2.434	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1C	ZINC000022609947	207257785	/nfs/dbraw/zinc/25/77/85/207257785.db2.gz	XSUXJKYQHAJHMN-OAHLLOKOSA-N	-1	1	395.463	2.442	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000223052582	136205520	/nfs/dbraw/zinc/20/55/20/136205520.db2.gz	OYNZPDILPAXLGT-UKRRQHHQSA-N	-1	1	395.463	2.379	40	0		GEABMM
COC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000223412351	136205822	/nfs/dbraw/zinc/20/58/22/136205822.db2.gz	RFEFVLJWKXUUBY-UHFFFAOYSA-N	-1	1	390.461	2.419	40	0		GEABMM
O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccccc2)C[C@@H]1CCN1CCOCC1	ZINC000012481264	560212142	/nfs/dbraw/zinc/21/21/42/560212142.db2.gz	ZVBSCDBSNLZUCB-IRXDYDNUSA-N	-1	1	375.469	2.354	40	0	biogenic,in-vitro	GEABMM
O=C(CN1CC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1[O-])C2)N1CCCC1	ZINC000585102062	570927882	/nfs/dbraw/zinc/92/78/82/570927882.db2.gz	PHHGQDICJWFMQH-HXUWFJFHSA-N	-1	1	391.899	2.349	40	0		GEABMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1C	ZINC000408605589	231077674	/nfs/dbraw/zinc/07/76/74/231077674.db2.gz	NBEHGTMYZRGABK-UHFFFAOYSA-N	-1	1	390.461	2.375	40	0		GEABMM
O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000409125991	231167575	/nfs/dbraw/zinc/16/75/75/231167575.db2.gz	DIWIKAYJRDPBBA-TUTDSIAXSA-N	-1	1	385.445	2.260	40	0		GEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225679627	532488156	/nfs/dbraw/zinc/48/81/56/532488156.db2.gz	OVADLFAOJDJIOM-UHFFFAOYSA-N	-1	1	377.447	2.359	40	0		GEABMM
CSCC[C@@H](NC(=O)c1cccnc1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573919	207138103	/nfs/dbraw/zinc/13/81/03/207138103.db2.gz	FVWRTAXSVIZYFM-CQSZACIVSA-N	-1	1	381.461	2.451	40	0		GEABMM
Cc1nc(-c2ccccc2)[n-]c(=O)c1CC(=O)N1CCN(c2nccs2)CC1	ZINC000019579506	207138850	/nfs/dbraw/zinc/13/88/50/207138850.db2.gz	VNQNKNWMMDODAP-UHFFFAOYSA-N	-1	1	395.488	2.093	40	0		GEABMM
COc1ccc(CCNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1OC	ZINC000019937195	207172325	/nfs/dbraw/zinc/17/23/25/207172325.db2.gz	KZKPFBMRYSKSNO-UHFFFAOYSA-N	-1	1	379.416	2.427	40	0		GEABMM
COc1cc2c(cc1OCc1ccccc1)ncnc2-n1cc(F)c(=O)[n-]c1=O	ZINC000085650627	208102742	/nfs/dbraw/zinc/10/27/42/208102742.db2.gz	QNMFNWSOAACBJM-UHFFFAOYSA-N	-1	1	394.362	2.196	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1	ZINC000408600876	533621028	/nfs/dbraw/zinc/62/10/28/533621028.db2.gz	CZMYABBVVWROLH-UHFFFAOYSA-N	-1	1	376.434	2.153	40	0		GEABMM
CCCn1ncc(C(=O)N2CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C2)c1C	ZINC000072346977	136168662	/nfs/dbraw/zinc/16/86/62/136168662.db2.gz	LRYKCVVGTGXCCU-UHFFFAOYSA-N	-1	1	398.511	2.120	40	0		GEABMM
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000223053717	136205608	/nfs/dbraw/zinc/20/56/08/136205608.db2.gz	BMTCFXFLDAOMAU-HIFRSBDPSA-N	-1	1	395.463	2.379	40	0		GEABMM
COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccc(C(=O)[O-])cc4)C[C@H]32)cc1	ZINC000067897206	560050243	/nfs/dbraw/zinc/05/02/43/560050243.db2.gz	SYJFGLICDHZGHQ-UXHICEINSA-N	-1	1	396.443	2.005	40	0	biogenic,in-vitro	GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1N1C(=O)CCC1=O	ZINC000223781719	570484324	/nfs/dbraw/zinc/48/43/24/570484324.db2.gz	GZIGHXFTSPSDGE-UHFFFAOYSA-N	-1	1	378.381	2.289	40	0		GEABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1	ZINC000007323731	570502889	/nfs/dbraw/zinc/50/28/89/570502889.db2.gz	QMLWSHGCGCHWRN-UHFFFAOYSA-N	-1	1	388.445	2.491	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1N1C(=O)CCC1=O	ZINC000224977358	570540953	/nfs/dbraw/zinc/54/09/53/570540953.db2.gz	FSDYBLCVNVFZGQ-UHFFFAOYSA-N	-1	1	396.371	2.428	40	0		GEABMM
CCc1cc(C(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)no1	ZINC000012276620	570632351	/nfs/dbraw/zinc/63/23/51/570632351.db2.gz	GPOABMMXBCQTAF-UHFFFAOYSA-N	-1	1	380.408	2.209	40	0		GEABMM
CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)[C@@H]1N	ZINC000071186633	570831597	/nfs/dbraw/zinc/83/15/97/570831597.db2.gz	QEYMLMNDJRIONC-IFXJQAMLSA-N	-1	1	378.425	2.117	40	0		GEABMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2OC)[n-]c1=O	ZINC000007421781	570840481	/nfs/dbraw/zinc/84/04/81/570840481.db2.gz	GUAZTEOBIPGLKZ-UHFFFAOYSA-N	-1	1	397.435	2.404	40	0		GEABMM
CCOC(=O)CCc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c([O-])c2c1=O	ZINC000014607076	570893071	/nfs/dbraw/zinc/89/30/71/570893071.db2.gz	MEJDOYFKNLXGOY-UHFFFAOYSA-N	-1	1	398.444	2.421	40	0		GEABMM
CCOC(=O)CCc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c1[O-]	ZINC000014607076	570893076	/nfs/dbraw/zinc/89/30/76/570893076.db2.gz	MEJDOYFKNLXGOY-UHFFFAOYSA-N	-1	1	398.444	2.421	40	0		GEABMM
O=C1C(=C2C(=O)[N-]C(=S)NC2=O)c2ccccc2N1Cc1ccc(Cl)cc1	ZINC000409390916	231200539	/nfs/dbraw/zinc/20/05/39/231200539.db2.gz	WGSZLCRJAYRRFI-UHFFFAOYSA-N	-1	1	397.843	2.171	40	0		GEABMM
CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1	ZINC000007601336	531540023	/nfs/dbraw/zinc/54/00/23/531540023.db2.gz	CYDHAWBKIKFLJG-UHFFFAOYSA-N	-1	1	385.877	2.163	40	0		GEABMM
CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2	ZINC000019498854	207125215	/nfs/dbraw/zinc/12/52/15/207125215.db2.gz	BXFKFZOLVZIVFP-KRWDZBQOSA-N	-1	1	386.496	2.308	40	0		GEABMM
Cc1ccc2c([O-])c(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cnc2n1	ZINC000019666362	207147441	/nfs/dbraw/zinc/14/74/41/207147441.db2.gz	DFMVBFYRWQGNLX-MRXNPFEDSA-N	-1	1	378.432	2.448	40	0		GEABMM
Cc1ccc2c(n1)[n-]cc(C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)c2=O	ZINC000019666362	207147445	/nfs/dbraw/zinc/14/74/45/207147445.db2.gz	DFMVBFYRWQGNLX-MRXNPFEDSA-N	-1	1	378.432	2.448	40	0		GEABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C	ZINC000408584277	533562869	/nfs/dbraw/zinc/56/28/69/533562869.db2.gz	NTDSRKZFKGMLTP-UHFFFAOYSA-N	-1	1	392.433	2.306	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1	ZINC000408616966	533621255	/nfs/dbraw/zinc/62/12/55/533621255.db2.gz	BUQICYBLPLWCGL-UHFFFAOYSA-N	-1	1	390.461	2.277	40	0		GEABMM
CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1	ZINC000408581959	528050942	/nfs/dbraw/zinc/05/09/42/528050942.db2.gz	BENZQYQEZYJMRK-UHFFFAOYSA-N	-1	1	390.465	2.364	40	0		GEABMM
CC(C)(C)OC(=O)N1C[C@@H](N2CCN(Cc3ccccc3)CC2)C[C@H]1C(=O)[O-]	ZINC000575436511	570312637	/nfs/dbraw/zinc/31/26/37/570312637.db2.gz	JTBYGZWXHCIGCM-ROUUACIJSA-N	-1	1	389.496	2.267	40	0		GEABMM
COc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1OC	ZINC000223337068	570459445	/nfs/dbraw/zinc/45/94/45/570459445.db2.gz	OJFHQBNAQOAWCK-UHFFFAOYSA-N	-1	1	378.406	2.258	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388770	570742917	/nfs/dbraw/zinc/74/29/17/570742917.db2.gz	OYNZPDILPAXLGT-DZGCQCFKSA-N	-1	1	395.463	2.379	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccccc2)CC4=O)n1	ZINC000013639675	570862537	/nfs/dbraw/zinc/86/25/37/570862537.db2.gz	DFCMTHHKCLEOMD-ZDUSSCGKSA-N	-1	1	387.399	2.431	40	0		GEABMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4nncn4C)c3)ccc21	ZINC000019019272	207101346	/nfs/dbraw/zinc/10/13/46/207101346.db2.gz	NGAXKJDDTXIEBG-UHFFFAOYSA-N	-1	1	397.460	2.192	40	0		GEABMM
COc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc(OC)c1O	ZINC000019549442	207131048	/nfs/dbraw/zinc/13/10/48/207131048.db2.gz	AARNEMYZTYSXED-UHFFFAOYSA-N	-1	1	394.431	2.113	40	0		GEABMM
CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000257292933	209069233	/nfs/dbraw/zinc/06/92/33/209069233.db2.gz	QNNHJVBQNGFOEK-QYZOEREBSA-N	-1	1	382.416	2.290	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000223052641	136205506	/nfs/dbraw/zinc/20/55/06/136205506.db2.gz	OYNZPDILPAXLGT-HIFRSBDPSA-N	-1	1	395.463	2.379	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1	ZINC000224039047	570495791	/nfs/dbraw/zinc/49/57/91/570495791.db2.gz	WJKPSXIXTHUFNJ-KRWDZBQOSA-N	-1	1	390.461	2.405	40	0		GEABMM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225067348	570546511	/nfs/dbraw/zinc/54/65/11/570546511.db2.gz	QJBFSJHBBDPARU-UHFFFAOYSA-N	-1	1	378.431	2.187	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1	ZINC000225741744	570611883	/nfs/dbraw/zinc/61/18/83/570611883.db2.gz	KWPURVRJKBUUFO-UHFFFAOYSA-N	-1	1	390.417	2.158	40	0		GEABMM
COc1cc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)ccc1F	ZINC000007361213	642338470	/nfs/dbraw/zinc/33/84/70/642338470.db2.gz	VHORNNVTNWSJJR-UHFFFAOYSA-N	-1	1	388.442	2.031	40	0		GEABMM
O=C1C[C@H](c2ccccc2)C2(C(=O)[N-]C(=S)NC2=O)[C@@H](c2ccccc2)C1	ZINC000006582193	206294304	/nfs/dbraw/zinc/29/43/04/206294304.db2.gz	FXBREMWELLLXKZ-IAGOWNOFSA-N	-1	1	378.453	2.434	40	0		GEABMM
O=C(Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCCCC1)c1ccc(Cl)cc1	ZINC000001617952	206387352	/nfs/dbraw/zinc/38/73/52/206387352.db2.gz	FEWQWUFOYTYZAO-UHFFFAOYSA-N	-1	1	390.827	2.031	40	0		GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nncn4C)c3)cc2oc1=O	ZINC000019524267	207127968	/nfs/dbraw/zinc/12/79/68/207127968.db2.gz	LGUDILLWJZSQDV-UHFFFAOYSA-N	-1	1	399.432	2.211	40	0		GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2oc1=O	ZINC000019936797	207171177	/nfs/dbraw/zinc/17/11/77/207171177.db2.gz	OAPGSXUIHIFBRM-UHFFFAOYSA-N	-1	1	378.406	2.432	40	0		GEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC	ZINC000095101343	208154084	/nfs/dbraw/zinc/15/40/84/208154084.db2.gz	WNQNPFIXDVOIQF-WRWLIDTKSA-N	-1	1	390.436	2.139	40	0		GEABMM
CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)CC1	ZINC000100232413	208374222	/nfs/dbraw/zinc/37/42/22/208374222.db2.gz	XVUUOIARIWWSBI-OAGGEKHMSA-N	-1	1	388.512	2.081	40	0		GEABMM
Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000223053657	136205582	/nfs/dbraw/zinc/20/55/82/136205582.db2.gz	BMTCFXFLDAOMAU-UKRRQHHQSA-N	-1	1	395.463	2.379	40	0		GEABMM
COC(=O)c1ccc(Cn2cc(/C=C3/NC(=S)[N-]C3=O)c3ccccc32)o1	ZINC000409393689	534165643	/nfs/dbraw/zinc/16/56/43/534165643.db2.gz	RZJABTHZIJIVBZ-RIYZIHGNSA-N	-1	1	381.413	2.414	40	0		GEABMM
CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000408597190	528406333	/nfs/dbraw/zinc/40/63/33/528406333.db2.gz	XUSPIMHMJIPYOG-UHFFFAOYSA-N	-1	1	378.450	2.401	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(C)c1	ZINC000020800194	570281345	/nfs/dbraw/zinc/28/13/45/570281345.db2.gz	BZCMZRCHAPCXJZ-CQSZACIVSA-N	-1	1	395.463	2.442	40	0		GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC)ccc2C)cc1C	ZINC000222997186	570436100	/nfs/dbraw/zinc/43/61/00/570436100.db2.gz	SMHKLHNYBVHHDP-UHFFFAOYSA-N	-1	1	398.506	2.411	40	0		GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)NC)cc2)cc1	ZINC000223291189	570456294	/nfs/dbraw/zinc/45/62/94/570456294.db2.gz	FEBPIZYOYBPVAJ-AWNIVKPZSA-N	-1	1	388.445	2.423	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1	ZINC000223981951	570492827	/nfs/dbraw/zinc/49/28/27/570492827.db2.gz	BTOYCDINVDQVKO-KRWDZBQOSA-N	-1	1	390.461	2.405	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)ccc1OC	ZINC000010008945	570564605	/nfs/dbraw/zinc/56/46/05/570564605.db2.gz	IBRFTOXWGWBYHM-UHFFFAOYSA-N	-1	1	391.449	2.204	40	0		GEABMM
C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2	ZINC000040388994	570599748	/nfs/dbraw/zinc/59/97/48/570599748.db2.gz	KTORHEMIPGMQEM-JSGCOSHPSA-N	-1	1	381.436	2.213	40	0		GEABMM
O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399199	570602812	/nfs/dbraw/zinc/60/28/12/570602812.db2.gz	ZRHJWEQQDAGPNA-OAHLLOKOSA-N	-1	1	389.415	2.256	40	0		GEABMM
CC(C)(C)OC(=O)[C@@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)[C@@H]1N	ZINC000071186634	570831500	/nfs/dbraw/zinc/83/15/00/570831500.db2.gz	QEYMLMNDJRIONC-LIRRHRJNSA-N	-1	1	378.425	2.117	40	0		GEABMM
O=C([O-])CNc1nc(NCc2ccccc2Br)cc(C2CC2)n1	ZINC000329034761	206242658	/nfs/dbraw/zinc/24/26/58/206242658.db2.gz	QZPOQFMNJFOKMU-UHFFFAOYSA-N	-1	1	377.242	2.069	40	0		GEABMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1	ZINC000016096379	207071730	/nfs/dbraw/zinc/07/17/30/207071730.db2.gz	YCUVXGKFOODSLK-UHFFFAOYSA-N	-1	1	378.406	2.241	40	0		GEABMM
CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2	ZINC000019498792	207125189	/nfs/dbraw/zinc/12/51/89/207125189.db2.gz	GSGBCMMAMLKOMI-AWEZNQCLSA-N	-1	1	386.477	2.103	40	0		GEABMM
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000022609970	207258037	/nfs/dbraw/zinc/25/80/37/207258037.db2.gz	SWBJYFNBPPDRCA-OAHLLOKOSA-N	-1	1	395.463	2.442	40	0		GEABMM
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000223054043	136205632	/nfs/dbraw/zinc/20/56/32/136205632.db2.gz	LVKCSDJUQSMSFS-OCCSQVGLSA-N	-1	1	395.463	2.379	40	0		GEABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1	ZINC000012200113	570624102	/nfs/dbraw/zinc/62/41/02/570624102.db2.gz	OOOCUJLDDSIYEG-UHFFFAOYSA-N	-1	1	387.417	2.099	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1OC)CC(=O)N2	ZINC000004944356	570645616	/nfs/dbraw/zinc/64/56/16/570645616.db2.gz	KJBBNSICXOFPHV-SNVBAGLBSA-N	-1	1	391.449	2.382	40	0		GEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccccc2F)CC3)cn1	ZINC000013227883	570751106	/nfs/dbraw/zinc/75/11/06/570751106.db2.gz	GTYIJTNITCNOFU-UHFFFAOYSA-N	-1	1	379.395	2.214	40	0		GEABMM
C[C@@H](NC(=O)CN1Cc2ccccc2C1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019458411	210250623	/nfs/dbraw/zinc/25/06/23/210250623.db2.gz	MGSROFCSMOTZEA-CQSZACIVSA-N	-1	1	375.432	2.025	40	0		GEABMM
O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)c1cnccn1	ZINC000019369424	210244322	/nfs/dbraw/zinc/24/43/22/210244322.db2.gz	IJGLZMXTIBNHAT-SFHVURJKSA-N	-1	1	398.426	2.336	40	0		GEABMM
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C(=O)[O-])cc1	ZINC000242498496	532518902	/nfs/dbraw/zinc/51/89/02/532518902.db2.gz	HIKHPTMUUGBXQG-VYDXJSESSA-N	-1	1	381.837	2.070	40	0		GEABMM
O=C([O-])CNc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1	ZINC000329071335	209161027	/nfs/dbraw/zinc/16/10/27/209161027.db2.gz	ZOSQATMXKDCOED-UHFFFAOYSA-N	-1	1	377.242	2.069	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1F	ZINC000408696032	533073596	/nfs/dbraw/zinc/07/35/96/533073596.db2.gz	VHZIMGBASONNNF-UHFFFAOYSA-N	-1	1	388.442	2.031	40	0		GEABMM
CSCC[C@H](NC(=O)c1ccncc1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573929	210268758	/nfs/dbraw/zinc/26/87/58/210268758.db2.gz	DPMCEZMXXVPWCS-AWEZNQCLSA-N	-1	1	381.461	2.451	40	0		GEABMM
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000022609974	570323112	/nfs/dbraw/zinc/32/31/12/570323112.db2.gz	SWBJYFNBPPDRCA-HNNXBMFYSA-N	-1	1	395.463	2.442	40	0		GEABMM
CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000022609889	570323221	/nfs/dbraw/zinc/32/32/21/570323221.db2.gz	FRRGGUQMDCNOOA-OAHLLOKOSA-N	-1	1	395.463	2.387	40	0		GEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1	ZINC000223774344	570483752	/nfs/dbraw/zinc/48/37/52/570483752.db2.gz	HUVMLUWFEAEMPS-UHFFFAOYSA-N	-1	1	393.396	2.371	40	0		GEABMM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1	ZINC000223783446	570484309	/nfs/dbraw/zinc/48/43/09/570484309.db2.gz	FANQCISSTBGYLD-UHFFFAOYSA-N	-1	1	392.433	2.032	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1C	ZINC000032586366	570511805	/nfs/dbraw/zinc/51/18/05/570511805.db2.gz	JKNNDMRTOJBCQS-UHFFFAOYSA-N	-1	1	398.506	2.363	40	0		GEABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2[nH]c1=O	ZINC000008661373	570536347	/nfs/dbraw/zinc/53/63/47/570536347.db2.gz	YZCCILCBOGMJAC-UHFFFAOYSA-N	-1	1	385.323	2.036	40	0		GEABMM
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2	ZINC000012117108	570611454	/nfs/dbraw/zinc/61/14/54/570611454.db2.gz	IHHPCYGJWZLPJC-UHFFFAOYSA-N	-1	1	385.445	2.417	40	0		GEABMM
CCOC(=O)Cc1cnc(NC(=O)CSc2nc(C(C)C)cc(=O)[n-]2)s1	ZINC000015879929	570909303	/nfs/dbraw/zinc/90/93/03/570909303.db2.gz	WRLJNVKNRFOZOO-UHFFFAOYSA-N	-1	1	396.494	2.186	40	0		GEABMM
CSCC[C@H](NC(=O)c1cccnc1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573923	571011005	/nfs/dbraw/zinc/01/10/05/571011005.db2.gz	FVWRTAXSVIZYFM-AWEZNQCLSA-N	-1	1	381.461	2.451	40	0		GEABMM
Cn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2sc1=O	ZINC000225037469	211880960	/nfs/dbraw/zinc/88/09/60/211880960.db2.gz	CLKIWRJHPZRDSZ-UHFFFAOYSA-N	-1	1	378.431	2.172	40	0		GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3cccc(NC(C)=O)c3)cc2oc1=O	ZINC000019936853	210309352	/nfs/dbraw/zinc/30/93/52/210309352.db2.gz	ZTHLLPMVIXGJQM-UHFFFAOYSA-N	-1	1	375.406	2.374	40	0		GEABMM
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1	ZINC000408713430	533421613	/nfs/dbraw/zinc/42/16/13/533421613.db2.gz	YJZJNQRERDECQY-UHFFFAOYSA-N	-1	1	392.462	2.249	40	0		GEABMM
Nc1nc(N2CCOCC2)[n-]c(=O)c1C(=S)Nc1ccc2ccccc2c1	ZINC000040385535	132403486	/nfs/dbraw/zinc/40/34/86/132403486.db2.gz	QULWUWVZUWUPPD-UHFFFAOYSA-N	-1	1	381.461	2.130	40	0		GEABMM
O=C([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)cc1	ZINC000067897174	560050283	/nfs/dbraw/zinc/05/02/83/560050283.db2.gz	ZVMHKBOISLRDAV-MOPGFXCFSA-N	-1	1	384.407	2.136	40	0	biogenic,in-vitro	GEABMM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(F)c3)n2)c1	ZINC000223774265	570483823	/nfs/dbraw/zinc/48/38/23/570483823.db2.gz	ZYUPXTKLCRKGFB-UHFFFAOYSA-N	-1	1	393.396	2.371	40	0		GEABMM
N[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218219639	570817017	/nfs/dbraw/zinc/81/70/17/570817017.db2.gz	NFBRGYBLEKQUDP-OFQRWUPVSA-N	-1	1	396.262	2.171	40	0		GEABMM
COc1ccc(-n2nc3[nH]c(CSc4ncccn4)cc(=O)c3c2[O-])cc1	ZINC000017077932	570917281	/nfs/dbraw/zinc/91/72/81/570917281.db2.gz	MBDAVBKVWPKIPH-UHFFFAOYSA-N	-1	1	381.417	2.098	40	0		GEABMM
COc1ccc(-n2nc3[nH]c(CSc4ncccn4)cc([O-])c-3c2=O)cc1	ZINC000017077932	570917285	/nfs/dbraw/zinc/91/72/85/570917285.db2.gz	MBDAVBKVWPKIPH-UHFFFAOYSA-N	-1	1	381.417	2.098	40	0		GEABMM
COc1ccc(C[N@H+]2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)c(OC)c1OC	ZINC000100775097	211391289	/nfs/dbraw/zinc/39/12/89/211391289.db2.gz	VXNUBRXEKXFGCQ-UHFFFAOYSA-N	-1	1	398.463	2.370	40	0		GEABMM
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000020800165	570281380	/nfs/dbraw/zinc/28/13/80/570281380.db2.gz	OWHWYYWRVGQYEG-AWEZNQCLSA-N	-1	1	395.463	2.387	40	0		GEABMM
CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)CC1	ZINC000022610047	570323040	/nfs/dbraw/zinc/32/30/40/570323040.db2.gz	ZMGPQTJAHVKHRE-AWEZNQCLSA-N	-1	1	381.436	2.071	40	0		GEABMM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1	ZINC000223339350	570459459	/nfs/dbraw/zinc/45/94/59/570459459.db2.gz	RFKAXGRFRJTEFH-UHFFFAOYSA-N	-1	1	375.406	2.199	40	0		GEABMM
COC(=O)c1ccc(NCCO)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000223414651	570464686	/nfs/dbraw/zinc/46/46/86/570464686.db2.gz	HNPQZOBHGQCTKV-UHFFFAOYSA-N	-1	1	384.841	2.332	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1NC(C)=O	ZINC000010515483	570571700	/nfs/dbraw/zinc/57/17/00/570571700.db2.gz	QSRNULJPCOZGQG-UHFFFAOYSA-N	-1	1	391.449	2.156	40	0		GEABMM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1	ZINC000040388766	570599920	/nfs/dbraw/zinc/59/99/20/570599920.db2.gz	BBFFCYJMLQFKQB-OCCSQVGLSA-N	-1	1	381.436	2.071	40	0		GEABMM
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388874	570743811	/nfs/dbraw/zinc/74/38/11/570743811.db2.gz	LVKCSDJUQSMSFS-JSGCOSHPSA-N	-1	1	395.463	2.379	40	0		GEABMM
O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2	ZINC000019014548	210221374	/nfs/dbraw/zinc/22/13/74/210221374.db2.gz	HQKMQZMUQBFUMB-SFHVURJKSA-N	-1	1	398.507	2.308	40	0		GEABMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001557161	209332557	/nfs/dbraw/zinc/33/25/57/209332557.db2.gz	NQIHMZLGCZNZBN-PXNSSMCTSA-N	-1	1	390.443	2.331	40	0	endogenous,in-man	GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1	ZINC000223337703	570459535	/nfs/dbraw/zinc/45/95/35/570459535.db2.gz	RKGXYNZHSQBUGG-UHFFFAOYSA-N	-1	1	390.417	2.417	40	0		GEABMM
O=C(C[C@H](NC(=O)OCc1ccccc1)c1nn[n-]n1)OCc1ccccc1	ZINC000006575062	570483974	/nfs/dbraw/zinc/48/39/74/570483974.db2.gz	RRRWSMXGMNESTN-INIZCTEOSA-N	-1	1	381.392	2.301	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(COC)c2)ccc1OC	ZINC000224224255	570504651	/nfs/dbraw/zinc/50/46/51/570504651.db2.gz	IWSKSGVAEVXCOX-UHFFFAOYSA-N	-1	1	378.450	2.392	40	0		GEABMM
CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)cc2sc1=O	ZINC000225731273	570610273	/nfs/dbraw/zinc/61/02/73/570610273.db2.gz	GCFAMBKLACEMMV-UHFFFAOYSA-N	-1	1	391.474	2.373	40	0		GEABMM
O=C(CN1CC[C@]12CCCN(C(=O)c1ccc(Cl)cc1[O-])C2)N1CCCC1	ZINC000585102061	570928144	/nfs/dbraw/zinc/92/81/44/570928144.db2.gz	PHHGQDICJWFMQH-FQEVSTJZSA-N	-1	1	391.899	2.349	40	0		GEABMM
O=C(Cc1cccc(F)c1)N1CCC[C@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000019293705	210239291	/nfs/dbraw/zinc/23/92/91/210239291.db2.gz	HKCRTPPMPIGWGI-HNNXBMFYSA-N	-1	1	393.422	2.315	40	0		GEABMM
C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(NCC(=O)[O-])COC1	ZINC000306145546	212056579	/nfs/dbraw/zinc/05/65/79/212056579.db2.gz	IFBPUJPQVWCHGE-AWEZNQCLSA-N	-1	1	396.443	2.357	40	0		GEABMM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1OC	ZINC000223602177	211838860	/nfs/dbraw/zinc/83/88/60/211838860.db2.gz	XWCPSIVCXOQPGO-UHFFFAOYSA-N	-1	1	381.435	2.294	40	0		GEABMM
CCOc1cccc2sc(NC(=O)CCc3c(C)nc4[n-]cnn4c3=O)nc21	ZINC000100779050	211392357	/nfs/dbraw/zinc/39/23/57/211392357.db2.gz	JFRJTYTVVODHJB-UHFFFAOYSA-N	-1	1	398.448	2.306	40	0		GEABMM
COCC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1	ZINC000019592984	210274537	/nfs/dbraw/zinc/27/45/37/210274537.db2.gz	PPDYVMPBRWOXRM-QGZVFWFLSA-N	-1	1	382.395	2.017	40	0		GEABMM
COCc1nc(N2CCN(c3ccccn3)CC2)[n-]c(=O)c1Cc1ccccc1	ZINC000022448633	570317208	/nfs/dbraw/zinc/31/72/08/570317208.db2.gz	GSCHNCUBVRMIKZ-UHFFFAOYSA-N	-1	1	391.475	2.229	40	0		GEABMM
Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022609923	570323229	/nfs/dbraw/zinc/32/32/29/570323229.db2.gz	NLLUUQAKIDFDAA-CYBMUJFWSA-N	-1	1	381.436	2.133	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1OC	ZINC000028687421	570463010	/nfs/dbraw/zinc/46/30/10/570463010.db2.gz	MMOVPSBUKWWCMJ-UHFFFAOYSA-N	-1	1	376.434	2.397	40	0		GEABMM
COCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1	ZINC000223418207	570465317	/nfs/dbraw/zinc/46/53/17/570465317.db2.gz	KCSYUXNVHSMXRF-UHFFFAOYSA-N	-1	1	394.449	2.341	40	0		GEABMM
CCn1c(C)cc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)ccc21	ZINC000012117121	570611378	/nfs/dbraw/zinc/61/13/78/570611378.db2.gz	HMZASMXPTHPARA-UHFFFAOYSA-N	-1	1	398.444	2.300	40	0		GEABMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2cccnc12	ZINC000178315348	570850866	/nfs/dbraw/zinc/85/08/66/570850866.db2.gz	XLSMRJUBMNFSCA-UHFFFAOYSA-N	-1	1	385.401	2.489	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1OC	ZINC000013680025	210077900	/nfs/dbraw/zinc/07/79/00/210077900.db2.gz	FBMSRRWIQKJLDA-UHFFFAOYSA-N	-1	1	376.434	2.448	40	0		GEABMM
CCOc1cc([C@@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O	ZINC000095101362	211219753	/nfs/dbraw/zinc/21/97/53/211219753.db2.gz	VCAXNSSSFNQRAG-OXFYSEKESA-N	-1	1	390.436	2.226	40	0		GEABMM
CCc1nnc([N-]c2cc([C@@H]3CCCN3C(=O)CN(C)C)nc(C)n2)s1	ZINC000072382778	211106979	/nfs/dbraw/zinc/10/69/79/211106979.db2.gz	AGJLFKGHLJESII-ZDUSSCGKSA-N	-1	1	375.502	2.168	40	0		GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(NC(C)=O)cc3)cc2oc1=O	ZINC000019936811	210309049	/nfs/dbraw/zinc/30/90/49/210309049.db2.gz	KWIVQEKAWFEQTP-UHFFFAOYSA-N	-1	1	375.406	2.374	40	0		GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)OC)cc3)cc2oc1=O	ZINC000019936805	210308894	/nfs/dbraw/zinc/30/88/94/210308894.db2.gz	QCAKJONWJXUCPV-UHFFFAOYSA-N	-1	1	376.390	2.202	40	0		GEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc(C(=O)OC)c1	ZINC000408693807	533893409	/nfs/dbraw/zinc/89/34/09/533893409.db2.gz	FBQKUQXMCWFDCB-UHFFFAOYSA-N	-1	1	397.380	2.208	40	0		GEABMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)ccc1C	ZINC000409411904	534826125	/nfs/dbraw/zinc/82/61/25/534826125.db2.gz	NFUISORUHFQNCF-UHFFFAOYSA-N	-1	1	387.505	2.492	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)ccc1C	ZINC000408610029	528226609	/nfs/dbraw/zinc/22/66/09/528226609.db2.gz	ULWRDRFGLIXEOA-UHFFFAOYSA-N	-1	1	376.434	2.332	40	0		GEABMM
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000020800157	570281297	/nfs/dbraw/zinc/28/12/97/570281297.db2.gz	HMIYWVUCTFPWJP-AWEZNQCLSA-N	-1	1	381.436	2.133	40	0		GEABMM
CC[C@]1(c2ccc([N-]S(=O)(=O)c3cccc(N)c3)cc2)CCC(=O)NC1=O	ZINC000005260010	570432725	/nfs/dbraw/zinc/43/27/25/570432725.db2.gz	GAPQLOXAMHHGMD-LJQANCHMSA-N	-1	1	387.461	2.154	40	0		GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC)ccc2C)cc1	ZINC000223002488	570436654	/nfs/dbraw/zinc/43/66/54/570436654.db2.gz	GGIIQPIMFTZNLB-UHFFFAOYSA-N	-1	1	384.479	2.103	40	0		GEABMM
O=C(NC1CCCCC1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399254	570603062	/nfs/dbraw/zinc/60/30/62/570603062.db2.gz	OFBLZWHQPHDEJU-CQSZACIVSA-N	-1	1	381.436	2.388	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388772	570742845	/nfs/dbraw/zinc/74/28/45/570742845.db2.gz	OYNZPDILPAXLGT-ZFWWWQNUSA-N	-1	1	395.463	2.379	40	0		GEABMM
CC(C)(C)Cn1c(=O)[n-]c(=O)n(-c2ccc(OC(F)(F)C(F)F)cc2)c1=O	ZINC000255190026	570744574	/nfs/dbraw/zinc/74/45/74/570744574.db2.gz	ULQAVBBIHFEMBA-UHFFFAOYSA-N	-1	1	391.321	2.383	40	0		GEABMM
COc1ccc(-n2nc3[nH]c(CSc4nccc(C)n4)cc(=O)c3c2[O-])cc1	ZINC000017080817	570919015	/nfs/dbraw/zinc/91/90/15/570919015.db2.gz	NHKRWVSQFOTWQQ-UHFFFAOYSA-N	-1	1	395.444	2.406	40	0		GEABMM
COc1ccc(-n2nc3[nH]c(CSc4nccc(C)n4)cc([O-])c-3c2=O)cc1	ZINC000017080817	570919016	/nfs/dbraw/zinc/91/90/16/570919016.db2.gz	NHKRWVSQFOTWQQ-UHFFFAOYSA-N	-1	1	395.444	2.406	40	0		GEABMM
C[C@@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1	ZINC000004385911	570973677	/nfs/dbraw/zinc/97/36/77/570973677.db2.gz	SXGBSTMIILUDRF-YRISNDGFSA-N	-1	1	379.416	2.309	40	0		GEABMM
CSCC[C@@H](NC(=O)c1ccncc1)c1cc(=O)[n-]c(-c2ccccn2)n1	ZINC000019573926	210268037	/nfs/dbraw/zinc/26/80/37/210268037.db2.gz	DPMCEZMXXVPWCS-CQSZACIVSA-N	-1	1	381.461	2.451	40	0		GEABMM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)NC[C@@H]1CCCO1	ZINC000409218021	231182435	/nfs/dbraw/zinc/18/24/35/231182435.db2.gz	SDEMRIPFIVULQU-ODYDIQAQSA-N	-1	1	396.852	2.377	40	0		GEABMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2[nH]c1=O	ZINC000013582109	210071476	/nfs/dbraw/zinc/07/14/76/210071476.db2.gz	NYHOUPHCVKZHDL-UHFFFAOYSA-N	-1	1	386.216	2.324	40	0		GEABMM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1C	ZINC000408627220	570379252	/nfs/dbraw/zinc/37/92/52/570379252.db2.gz	YLTFXJXNDITVBH-UHFFFAOYSA-N	-1	1	378.450	2.181	40	0		GEABMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N(C)C)cc3)ccc21	ZINC000010515660	570571748	/nfs/dbraw/zinc/57/17/48/570571748.db2.gz	HLOOBFNVWVBHEP-UHFFFAOYSA-N	-1	1	387.461	2.098	40	0		GEABMM
CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2	ZINC000004944401	570645782	/nfs/dbraw/zinc/64/57/82/570645782.db2.gz	BNAHFVWWFDBASG-JTQLQIEISA-N	-1	1	391.449	2.469	40	0		GEABMM
Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388823	570743608	/nfs/dbraw/zinc/74/36/08/570743608.db2.gz	BMTCFXFLDAOMAU-DZGCQCFKSA-N	-1	1	395.463	2.379	40	0		GEABMM
COc1ccccc1CC(=O)N1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1	ZINC000019569464	210265087	/nfs/dbraw/zinc/26/50/87/210265087.db2.gz	SCNXXNJTMHQPBM-INIZCTEOSA-N	-1	1	390.443	2.399	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1	ZINC000007056991	531537170	/nfs/dbraw/zinc/53/71/70/531537170.db2.gz	VWBJHFZUONRNCO-UHFFFAOYSA-N	-1	1	384.479	2.055	40	0		GEABMM
O=C([O-])CSCC(=O)c1ccc(NS(=O)(=O)Oc2ccccc2)cc1	ZINC000020458638	531584004	/nfs/dbraw/zinc/58/40/04/531584004.db2.gz	BQWBQCVOBOLUDU-UHFFFAOYSA-N	-1	1	381.431	2.423	40	0		GEABMM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1	ZINC000223247479	211826611	/nfs/dbraw/zinc/82/66/11/211826611.db2.gz	HODORLPRKGCUKB-UHFFFAOYSA-N	-1	1	390.461	2.465	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)cc1OC)CC(=O)N2	ZINC000004944337	211555195	/nfs/dbraw/zinc/55/51/95/211555195.db2.gz	HFUGOZWLQOFYNX-JTQLQIEISA-N	-1	1	391.449	2.382	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c(C)c1	ZINC000019961262	210309970	/nfs/dbraw/zinc/30/99/70/210309970.db2.gz	GDWZIKUDEMPPNT-CYBMUJFWSA-N	-1	1	381.436	2.051	40	0		GEABMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc(C(=O)OC)c1	ZINC000408585666	533895185	/nfs/dbraw/zinc/89/51/85/533895185.db2.gz	HZDRLFAFUVPEES-UHFFFAOYSA-N	-1	1	393.417	2.378	40	0		GEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)NCC(C)C	ZINC000408583301	534212630	/nfs/dbraw/zinc/21/26/30/534212630.db2.gz	HDCITONGKUJNRT-UHFFFAOYSA-N	-1	1	389.477	2.281	40	0		GEABMM
O=C1N[C@@H](c2cccnc2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1	ZINC000005451201	570255269	/nfs/dbraw/zinc/25/52/69/570255269.db2.gz	BJYVXXPWDHDBAL-WWGRRREGSA-N	-1	1	383.301	2.325	40	0		GEABMM
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610050	570323182	/nfs/dbraw/zinc/32/31/82/570323182.db2.gz	UKFSYFDUVLZFMU-OAHLLOKOSA-N	-1	1	395.463	2.379	40	0		GEABMM
CC[C@@]1(c2ccc([N-]S(=O)(=O)c3cccc(N)c3)cc2)CCC(=O)NC1=O	ZINC000005260022	570432645	/nfs/dbraw/zinc/43/26/45/570432645.db2.gz	GAPQLOXAMHHGMD-IBGZPJMESA-N	-1	1	387.461	2.154	40	0		GEABMM
CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1	ZINC000223030378	570438633	/nfs/dbraw/zinc/43/86/33/570438633.db2.gz	OGVOGFQIJJOGNM-UHFFFAOYSA-N	-1	1	390.417	2.038	40	0		GEABMM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1	ZINC000223245959	570452846	/nfs/dbraw/zinc/45/28/46/570452846.db2.gz	HNCHRMRSIDROSX-UHFFFAOYSA-N	-1	1	378.450	2.271	40	0		GEABMM
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)[nH]n1	ZINC000223301357	570457023	/nfs/dbraw/zinc/45/70/23/570457023.db2.gz	QNPZECSWFNTCQJ-UHFFFAOYSA-N	-1	1	386.433	2.050	40	0		GEABMM
O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nn[n-]n1)OCc1ccccc1	ZINC000006575065	570483991	/nfs/dbraw/zinc/48/39/91/570483991.db2.gz	RRRWSMXGMNESTN-MRXNPFEDSA-N	-1	1	381.392	2.301	40	0		GEABMM
Cc1cccc(C)c1OCC(=O)N1CCc2c(nc(-c3cnccn3)[n-]c2=O)C1	ZINC000012258322	570631502	/nfs/dbraw/zinc/63/15/02/570631502.db2.gz	XNILIMLDVXKKCC-UHFFFAOYSA-N	-1	1	391.431	2.220	40	0		GEABMM
COC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000008101737	570766739	/nfs/dbraw/zinc/76/67/39/570766739.db2.gz	JPJDQEJRZUSLOB-UHFFFAOYSA-N	-1	1	390.804	2.301	40	0		GEABMM
N[C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000252515760	645566075	/nfs/dbraw/zinc/56/60/75/645566075.db2.gz	NFBRGYBLEKQUDP-IIAWOOMASA-N	-1	1	396.262	2.171	40	0		GEABMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1	ZINC000408589142	529895404	/nfs/dbraw/zinc/89/54/04/529895404.db2.gz	DRRXQXHTGSFOGF-CYBMUJFWSA-N	-1	1	376.434	2.203	40	0		GEABMM
CN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O	ZINC000409195766	530045650	/nfs/dbraw/zinc/04/56/50/530045650.db2.gz	VXFURTYFBZOLTI-FPYGCLRLSA-N	-1	1	378.553	2.173	40	0		GEABMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(C)=O	ZINC000225767728	532486707	/nfs/dbraw/zinc/48/67/07/532486707.db2.gz	ZUGUTHHPZMMGBZ-UHFFFAOYSA-N	-1	1	379.463	2.267	40	0		GEABMM
O=C1[N-]C(=S)NC(=O)C12[C@@H](c1ccccc1)CC(O)C[C@@H]2c1ccccc1	ZINC000001085892	212215241	/nfs/dbraw/zinc/21/52/41/212215241.db2.gz	IGNJAMPCGBJXJL-IAGOWNOFSA-N	-1	1	380.469	2.226	40	0		GEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Cc2ccc(F)cc2)C3)cn1	ZINC000012258354	221172854	/nfs/dbraw/zinc/17/28/54/221172854.db2.gz	ODVWEWFAIIPPDD-UHFFFAOYSA-N	-1	1	379.395	2.214	40	0		GEABMM
CCc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)N(C)C)CC3)n2)s1	ZINC000072376154	222245718	/nfs/dbraw/zinc/24/57/18/222245718.db2.gz	HSZJVNNKQHXUMD-UHFFFAOYSA-N	-1	1	396.542	2.225	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c(C)c1	ZINC000020800198	570281315	/nfs/dbraw/zinc/28/13/15/570281315.db2.gz	BZCMZRCHAPCXJZ-AWEZNQCLSA-N	-1	1	395.463	2.442	40	0		GEABMM
CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2oc1=O	ZINC000223356471	570461347	/nfs/dbraw/zinc/46/13/47/570461347.db2.gz	QLHHNNXZDGMZOW-UHFFFAOYSA-N	-1	1	390.417	2.495	40	0		GEABMM
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c1	ZINC000040390673	570599947	/nfs/dbraw/zinc/59/99/47/570599947.db2.gz	YUIKXOIQJAICDY-ZDUSSCGKSA-N	-1	1	381.436	2.051	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1OC)CC(=O)N2	ZINC000004944357	570645610	/nfs/dbraw/zinc/64/56/10/570645610.db2.gz	KJBBNSICXOFPHV-JTQLQIEISA-N	-1	1	391.449	2.382	40	0		GEABMM
O=C1N[C@@H](c2cccnc2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1	ZINC000013591664	221275333	/nfs/dbraw/zinc/27/53/33/221275333.db2.gz	BJYVXXPWDHDBAL-DVOMOZLQSA-N	-1	1	383.301	2.325	40	0		GEABMM
O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2	ZINC000019014550	221394284	/nfs/dbraw/zinc/39/42/84/221394284.db2.gz	HQKMQZMUQBFUMB-GOSISDBHSA-N	-1	1	398.507	2.308	40	0		GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)cc1	ZINC000408597972	528238546	/nfs/dbraw/zinc/23/85/46/528238546.db2.gz	XBMWRBQENACQFF-UHFFFAOYSA-N	-1	1	376.434	2.332	40	0		GEABMM
CC(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1	ZINC000514288979	560033429	/nfs/dbraw/zinc/03/34/29/560033429.db2.gz	LUWPAXNREUHKRU-STQMWFEESA-N	-1	1	397.472	2.396	40	0	biogenic,in-vitro	GEABMM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2oc1=O	ZINC000019936799	570231853	/nfs/dbraw/zinc/23/18/53/570231853.db2.gz	RCLAGDQJKIGADZ-UHFFFAOYSA-N	-1	1	376.390	2.186	40	0		GEABMM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1C	ZINC000006348442	570360588	/nfs/dbraw/zinc/36/05/88/570360588.db2.gz	QKZLXQGDAONELT-UHFFFAOYSA-N	-1	1	393.417	2.134	40	0		GEABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)c1	ZINC000028242371	570453120	/nfs/dbraw/zinc/45/31/20/570453120.db2.gz	RPBNBBWGEOHMGV-UHFFFAOYSA-N	-1	1	376.434	2.284	40	0		GEABMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1C	ZINC000223825704	570485808	/nfs/dbraw/zinc/48/58/08/570485808.db2.gz	NFQFCZSJSSVWND-UHFFFAOYSA-N	-1	1	376.434	2.284	40	0		GEABMM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1	ZINC000040388768	570599597	/nfs/dbraw/zinc/59/95/97/570599597.db2.gz	BBFFCYJMLQFKQB-JSGCOSHPSA-N	-1	1	381.436	2.071	40	0		GEABMM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)c1	ZINC000041152811	570616023	/nfs/dbraw/zinc/61/60/23/570616023.db2.gz	WLJZWFZZKYNBTI-UHFFFAOYSA-N	-1	1	387.417	2.295	40	0		GEABMM
CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1	ZINC000257306981	570778915	/nfs/dbraw/zinc/77/89/15/570778915.db2.gz	SWUDMLRFFTYQJO-MRXNPFEDSA-N	-1	1	393.447	2.119	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2cccs2)CC4=O)n1	ZINC000013639710	570862564	/nfs/dbraw/zinc/86/25/64/570862564.db2.gz	HDLAGRUARWNABZ-JTQLQIEISA-N	-1	1	393.428	2.492	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)c(C)c1	ZINC000019961267	570233594	/nfs/dbraw/zinc/23/35/94/570233594.db2.gz	GDWZIKUDEMPPNT-ZDUSSCGKSA-N	-1	1	381.436	2.051	40	0		GEABMM
COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000223980437	570492676	/nfs/dbraw/zinc/49/26/76/570492676.db2.gz	SJFFOUBAKSBAQB-UHFFFAOYSA-N	-1	1	378.450	2.262	40	0		GEABMM
O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000007726776	570513902	/nfs/dbraw/zinc/51/39/02/570513902.db2.gz	NZIXRJQBJASOCU-UHFFFAOYSA-N	-1	1	385.445	2.499	40	0		GEABMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1	ZINC000041153034	570615936	/nfs/dbraw/zinc/61/59/36/570615936.db2.gz	ZXSWMGWPHKQESH-UHFFFAOYSA-N	-1	1	387.417	2.295	40	0		GEABMM
COc1ccc(OCc2nnc(SCC(=O)c3ccc([O-])cc3)n2N)cc1	ZINC000008158044	570767368	/nfs/dbraw/zinc/76/73/68/570767368.db2.gz	VGSZKPCGZDWVPM-UHFFFAOYSA-N	-1	1	386.433	2.260	40	0		GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	ZINC000014256905	570880133	/nfs/dbraw/zinc/88/01/33/570880133.db2.gz	PTTJNXVWVYQIKG-UHFFFAOYSA-N	-1	1	393.417	2.459	40	0		GEABMM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl	ZINC000408607820	231079113	/nfs/dbraw/zinc/07/91/13/231079113.db2.gz	QMKYDURTFOUUPN-UHFFFAOYSA-N	-1	1	398.868	2.282	40	0		GEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC	ZINC000107913319	212109932	/nfs/dbraw/zinc/10/99/32/212109932.db2.gz	WNQNPFIXDVOIQF-SYNHAJSKSA-N	-1	1	390.436	2.139	40	0		GEABMM
O=C([O-])CNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1	ZINC000329065763	212095091	/nfs/dbraw/zinc/09/50/91/212095091.db2.gz	XUOXMDXJVWJYAB-UHFFFAOYSA-N	-1	1	377.242	2.069	40	0		GEABMM
Cc1cnc(-c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccc(F)cc2)CC3)cn1	ZINC000013227879	221264467	/nfs/dbraw/zinc/26/44/67/221264467.db2.gz	RLLHDWITPMJYQJ-UHFFFAOYSA-N	-1	1	379.395	2.214	40	0		GEABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1	ZINC000055548776	222023440	/nfs/dbraw/zinc/02/34/40/222023440.db2.gz	UFNZZRPXRIDGDQ-UHFFFAOYSA-N	-1	1	375.450	2.124	40	0		GEABMM
COc1ccc([C@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC	ZINC000095101344	222330253	/nfs/dbraw/zinc/33/02/53/222330253.db2.gz	WNQNPFIXDVOIQF-RIFZZMRRSA-N	-1	1	390.436	2.139	40	0		GEABMM
CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000022609894	570323166	/nfs/dbraw/zinc/32/31/66/570323166.db2.gz	FRRGGUQMDCNOOA-HNNXBMFYSA-N	-1	1	395.463	2.387	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1	ZINC000224039096	570495854	/nfs/dbraw/zinc/49/58/54/570495854.db2.gz	WJKPSXIXTHUFNJ-QGZVFWFLSA-N	-1	1	390.461	2.405	40	0		GEABMM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)ccc1OC	ZINC000013679697	570773143	/nfs/dbraw/zinc/77/31/43/570773143.db2.gz	ZFGTZFLVDAAWDX-UHFFFAOYSA-N	-1	1	392.433	2.032	40	0		GEABMM
N[C@@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218219566	570817022	/nfs/dbraw/zinc/81/70/22/570817022.db2.gz	NFBRGYBLEKQUDP-YCPHGPKFSA-N	-1	1	396.262	2.171	40	0		GEABMM
Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccccc2)CC4=O)n1	ZINC000013639677	570862892	/nfs/dbraw/zinc/86/28/92/570862892.db2.gz	DFCMTHHKCLEOMD-CYBMUJFWSA-N	-1	1	387.399	2.431	40	0		GEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC	ZINC000230217454	570988871	/nfs/dbraw/zinc/98/88/71/570988871.db2.gz	WNQNPFIXDVOIQF-MDYRTPRTSA-N	-1	1	390.436	2.139	40	0		GEABMM
COc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1	ZINC000019564046	571006365	/nfs/dbraw/zinc/00/63/65/571006365.db2.gz	GFDZXQYQOHXLOG-MRXNPFEDSA-N	-1	1	390.443	2.399	40	0		GEABMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCCCO)cc2)cc1	ZINC000409352098	231194273	/nfs/dbraw/zinc/19/42/73/231194273.db2.gz	YQKZPNCYIUCDQV-UHFFFAOYSA-N	-1	1	376.478	2.227	40	0		GEABMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1	ZINC000223319854	222629498	/nfs/dbraw/zinc/62/94/98/222629498.db2.gz	JHGGNRPICFEZCK-UHFFFAOYSA-N	-1	1	376.390	2.407	40	0		GEABMM
CC(=O)c1cccc(NC(=O)N2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)c1	ZINC000013564787	221272880	/nfs/dbraw/zinc/27/28/80/221272880.db2.gz	SCLOVUCHDUVGTR-UHFFFAOYSA-N	-1	1	381.436	2.163	40	0		GEABMM
COCc1nc(N2CCN(C(=O)c3ccco3)CC2)[n-]c(=O)c1CCC(C)C	ZINC000022448867	221560501	/nfs/dbraw/zinc/56/05/01/221560501.db2.gz	NZBIENTXSIOYKP-UHFFFAOYSA-N	-1	1	388.468	2.060	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610055	570323060	/nfs/dbraw/zinc/32/30/60/570323060.db2.gz	UKFSYFDUVLZFMU-HNNXBMFYSA-N	-1	1	395.463	2.379	40	0		GEABMM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC000041152577	570615537	/nfs/dbraw/zinc/61/55/37/570615537.db2.gz	SYBMVPLYISDPSN-UHFFFAOYSA-N	-1	1	387.417	2.295	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2	ZINC000004944403	570645712	/nfs/dbraw/zinc/64/57/12/570645712.db2.gz	MFSAQYSOFNFEQE-VIFPVBQESA-N	-1	1	377.422	2.079	40	0		GEABMM
O=C1N[C@@H](c2cccnc2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1	ZINC000102789358	570721035	/nfs/dbraw/zinc/72/10/35/570721035.db2.gz	BJYVXXPWDHDBAL-HEHGZKQESA-N	-1	1	383.301	2.325	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(C)=O	ZINC000006316076	570741674	/nfs/dbraw/zinc/74/16/74/570741674.db2.gz	BDWDNEZDPYQOEK-UHFFFAOYSA-N	-1	1	377.422	2.413	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)N1CCOCC1	ZINC000007360459	570758066	/nfs/dbraw/zinc/75/80/66/570758066.db2.gz	UUXQGQIHHPYIDP-UHFFFAOYSA-N	-1	1	390.461	2.277	40	0		GEABMM
Cc1ccccc1CC(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1	ZINC000019237034	570966774	/nfs/dbraw/zinc/96/67/74/570966774.db2.gz	JHVTUOAJPWHEQQ-UHFFFAOYSA-N	-1	1	389.459	2.484	40	0		GEABMM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1	ZINC000408560855	231061763	/nfs/dbraw/zinc/06/17/63/231061763.db2.gz	FINGMIOBZIMAKM-UHFFFAOYSA-N	-1	1	388.449	2.214	40	0		GEABMM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1	ZINC000408600359	529895263	/nfs/dbraw/zinc/89/52/63/529895263.db2.gz	AHDKJCYKFWYYAO-GFCCVEGCSA-N	-1	1	394.449	2.018	40	0		GEABMM
Cc1cc(N2C[C@@]3(F)CN(C(=O)c4ccc([O-])cn4)C[C@@]3(F)C2=O)c(C)s1	ZINC000306128545	222794622	/nfs/dbraw/zinc/79/46/22/222794622.db2.gz	HDJCQXFOICVKKP-ZWKOTPCHSA-N	-1	1	393.415	2.385	40	0		GEABMM
O=C(Cc1ccc2c(c1)OCO2)N1CCc2nc(-c3ccccc3)[n-]c(=O)c2C1	ZINC000012144703	221159241	/nfs/dbraw/zinc/15/92/41/221159241.db2.gz	COKYYVQPFDSLFQ-UHFFFAOYSA-N	-1	1	389.411	2.293	40	0		GEABMM
C[C@H]1O[C@@H](C)CN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@H]12	ZINC000102783610	136190438	/nfs/dbraw/zinc/19/04/38/136190438.db2.gz	QWXGWEVPJKYEEU-XRHKRYNHSA-N	-1	1	385.464	2.088	40	0		GEABMM
CCOc1cc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O	ZINC000095101365	222330122	/nfs/dbraw/zinc/33/01/22/222330122.db2.gz	VCAXNSSSFNQRAG-KNBMTAEXSA-N	-1	1	390.436	2.226	40	0		GEABMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)N1CCCC1	ZINC000408593773	534213162	/nfs/dbraw/zinc/21/31/62/534213162.db2.gz	NKUGRVGDHQFLAZ-UHFFFAOYSA-N	-1	1	387.461	2.131	40	0		GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1Cl	ZINC000408588069	528589203	/nfs/dbraw/zinc/58/92/03/528589203.db2.gz	XATUHQAMVFOFJP-UHFFFAOYSA-N	-1	1	390.870	2.187	40	0		GEABMM
CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1	ZINC000408582339	528847047	/nfs/dbraw/zinc/84/70/47/528847047.db2.gz	CKWRBOVKXZNHKN-UHFFFAOYSA-N	-1	1	392.433	2.388	40	0		GEABMM
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000022609985	570323028	/nfs/dbraw/zinc/32/30/28/570323028.db2.gz	NDTLEFYPVMWBQR-CQSZACIVSA-N	-1	1	395.463	2.442	40	0		GEABMM
O=C([O-])CN1CCCC[C@H](N2CCC3(CCc4ccccc4C3=O)CC2)C1=O	ZINC000685938872	570398012	/nfs/dbraw/zinc/39/80/12/570398012.db2.gz	JWGQKLCDWKHYDK-SFHVURJKSA-N	-1	1	384.476	2.363	40	0		GEABMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1	ZINC000223290455	570456379	/nfs/dbraw/zinc/45/63/79/570456379.db2.gz	JKJKJRGPYGKDBU-IZZDOVSWSA-N	-1	1	376.434	2.264	40	0		GEABMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)cc2C)cc1	ZINC000224008904	570494486	/nfs/dbraw/zinc/49/44/86/570494486.db2.gz	AQNRTFKLQMBSET-UHFFFAOYSA-N	-1	1	390.461	2.277	40	0		GEABMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225067499	570546508	/nfs/dbraw/zinc/54/65/08/570546508.db2.gz	IHSUVKUWNHYRNP-UHFFFAOYSA-N	-1	1	392.458	2.496	40	0		GEABMM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000225673931	570601505	/nfs/dbraw/zinc/60/15/05/570601505.db2.gz	IYGNGFAGOJRGKZ-UHFFFAOYSA-N	-1	1	392.458	2.496	40	0		GEABMM
O=C(NCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21	ZINC000040399200	570602906	/nfs/dbraw/zinc/60/29/06/570602906.db2.gz	ZRHJWEQQDAGPNA-HNNXBMFYSA-N	-1	1	389.415	2.256	40	0		GEABMM
CCOC(=O)c1nc2nc(CSc3nc4ccccc4s3)cc(=O)n2[n-]1	ZINC000010157038	570783567	/nfs/dbraw/zinc/78/35/67/570783567.db2.gz	JXMGUKKORYQFAW-UHFFFAOYSA-N	-1	1	387.446	2.496	40	0		GEABMM
C[C@@]1(O)Cc2[n-][nH]c(=O)c2[C@@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1	ZINC000004385913	570973709	/nfs/dbraw/zinc/97/37/09/570973709.db2.gz	SXGBSTMIILUDRF-HGHGUNKESA-N	-1	1	379.416	2.309	40	0		GEABMM
COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O	ZINC000008103517	531544634	/nfs/dbraw/zinc/54/46/34/531544634.db2.gz	PAVYZBVEHFVMOM-JYRVWZFOSA-N	-1	1	384.841	2.235	40	0		GEABMM
O=C1C[C@@H](c2ccccc2)C2(C(=O)[N-]C(=S)NC2=O)[C@H](c2ccccc2)C1	ZINC000006581925	212147443	/nfs/dbraw/zinc/14/74/43/212147443.db2.gz	FXBREMWELLLXKZ-IRXDYDNUSA-N	-1	1	378.453	2.434	40	0		GEABMM
O=C([O-])c1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)NCc2ccccc2)cc1	ZINC000015676216	221340097	/nfs/dbraw/zinc/34/00/97/221340097.db2.gz	QNHARXBBNPKEER-FQEVSTJZSA-N	-1	1	390.443	2.351	40	0	biogenic,in-vitro	GEABMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1	ZINC000055545948	222022306	/nfs/dbraw/zinc/02/23/06/222022306.db2.gz	IEAIERFVFBTCDP-UHFFFAOYSA-N	-1	1	375.450	2.124	40	0		GEABMM
CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)[C@H]1N	ZINC000071186635	222178284	/nfs/dbraw/zinc/17/82/84/222178284.db2.gz	QEYMLMNDJRIONC-AUUYWEPGSA-N	-1	1	378.425	2.117	40	0		GEABMM
COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC	ZINC000095101342	222330872	/nfs/dbraw/zinc/33/08/72/222330872.db2.gz	WNQNPFIXDVOIQF-OXFYSEKESA-N	-1	1	390.436	2.139	40	0		GEABMM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCCCO	ZINC000408594560	534626977	/nfs/dbraw/zinc/62/69/77/534626977.db2.gz	SVOPQSZTCQIWOR-UHFFFAOYSA-N	-1	1	398.868	2.018	40	0		GEABMM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1OC	ZINC000408588765	529107539	/nfs/dbraw/zinc/10/75/39/529107539.db2.gz	YMHQAKJYJPBFTO-UHFFFAOYSA-N	-1	1	393.421	2.163	40	0		GEABMM
COc1ccccc1N1CCN(C(=O)c2cnc(-c3ccccc3)[n-]c2=O)CC1	ZINC000019937290	570232178	/nfs/dbraw/zinc/23/21/78/570232178.db2.gz	MIBSYLKYZCATBN-UHFFFAOYSA-N	-1	1	390.443	2.408	40	0		GEABMM
O=C1N[C@@H](c2cccnc2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1	ZINC000005451203	570255090	/nfs/dbraw/zinc/25/50/90/570255090.db2.gz	BJYVXXPWDHDBAL-XEZPLFJOSA-N	-1	1	383.301	2.325	40	0		GEABMM
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)c1	ZINC000022609989	570323205	/nfs/dbraw/zinc/32/32/05/570323205.db2.gz	NDTLEFYPVMWBQR-AWEZNQCLSA-N	-1	1	395.463	2.442	40	0		GEABMM
O=C([O-])CN1CCCC[C@@H](N2CCC3(CCc4ccccc4C3=O)CC2)C1=O	ZINC000685938871	570398176	/nfs/dbraw/zinc/39/81/76/570398176.db2.gz	JWGQKLCDWKHYDK-GOSISDBHSA-N	-1	1	384.476	2.363	40	0		GEABMM
C=C1N=C(SCC(=O)[O-])N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC	ZINC000033690290	570910727	/nfs/dbraw/zinc/91/07/27/570910727.db2.gz	GQSKQCSQQCSCNC-MRXNPFEDSA-N	-1	1	394.449	2.359	40	0		GEABMM
O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2cc(=O)[n-]c(-c3cnccn3)n2)C1	ZINC000019293704	570973291	/nfs/dbraw/zinc/97/32/91/570973291.db2.gz	HKCRTPPMPIGWGI-OAHLLOKOSA-N	-1	1	393.422	2.315	40	0		GEABMM
COCC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1	ZINC000019592983	571019713	/nfs/dbraw/zinc/01/97/13/571019713.db2.gz	PPDYVMPBRWOXRM-KRWDZBQOSA-N	-1	1	382.395	2.017	40	0		GEABMM
Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)CCC(=O)[O-])n2)c1	ZINC000020464491	575366927	/nfs/dbraw/zinc/36/69/27/575366927.db2.gz	PDNBYIUBMBSCED-HNNXBMFYSA-N	-1	1	381.392	2.259	40	0	biogenic,in-vitro	GEABMM
Cn1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)cc2oc1=O	ZINC000012117105	221152194	/nfs/dbraw/zinc/15/21/94/221152194.db2.gz	PKMRJQISFHNOTB-UHFFFAOYSA-N	-1	1	387.417	2.059	40	0		GEABMM
CO[C@H](C(=O)N1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1)c1ccccc1	ZINC000012113726	221152351	/nfs/dbraw/zinc/15/23/51/221152351.db2.gz	AUICNLDQYKNMLQ-SFHVURJKSA-N	-1	1	382.464	2.033	40	0		GEABMM
CSc1nc(C)c(CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(=O)[n-]1	ZINC000012193066	221164944	/nfs/dbraw/zinc/16/49/44/221164944.db2.gz	QUHCQCFUZKNBTH-UHFFFAOYSA-N	-1	1	387.440	2.365	40	0		GEABMM
Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)CCC(=O)[O-])n2)cc1	ZINC000015675802	221338787	/nfs/dbraw/zinc/33/87/87/221338787.db2.gz	XYLDNCUMYVOQAG-HNNXBMFYSA-N	-1	1	381.392	2.259	40	0	biogenic,in-vitro	GEABMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)CC	ZINC000408699668	528587433	/nfs/dbraw/zinc/58/74/33/528587433.db2.gz	YLMIYNPIRCLHRN-UHFFFAOYSA-N	-1	1	391.449	2.334	40	0		GEABMM
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1C	ZINC000022609951	570323096	/nfs/dbraw/zinc/32/30/96/570323096.db2.gz	XSUXJKYQHAJHMN-HNNXBMFYSA-N	-1	1	395.463	2.442	40	0		GEABMM
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610165	570323198	/nfs/dbraw/zinc/32/31/98/570323198.db2.gz	UIXCERNVYIVKDM-HNNXBMFYSA-N	-1	1	395.463	2.379	40	0		GEABMM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)cc1	ZINC000223338103	570459521	/nfs/dbraw/zinc/45/95/21/570459521.db2.gz	MPTDDNAUUJKWJJ-UHFFFAOYSA-N	-1	1	375.406	2.199	40	0		GEABMM
COCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1	ZINC000224009354	570494649	/nfs/dbraw/zinc/49/46/49/570494649.db2.gz	JKTOQJOJUMMJBU-UHFFFAOYSA-N	-1	1	378.450	2.181	40	0		GEABMM
COCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000224036959	570495899	/nfs/dbraw/zinc/49/58/99/570495899.db2.gz	UIHBVSXZMJGCFM-UHFFFAOYSA-N	-1	1	378.450	2.262	40	0		GEABMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)cc1OC)CC(=O)N2	ZINC000004944336	570645731	/nfs/dbraw/zinc/64/57/31/570645731.db2.gz	HFUGOZWLQOFYNX-SNVBAGLBSA-N	-1	1	391.449	2.382	40	0		GEABMM
Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388872	570743564	/nfs/dbraw/zinc/74/35/64/570743564.db2.gz	LVKCSDJUQSMSFS-GXTWGEPZSA-N	-1	1	395.463	2.379	40	0		GEABMM
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1	ZINC000019291853	570972143	/nfs/dbraw/zinc/97/21/43/570972143.db2.gz	BDJFTTQDCXDNCU-UHFFFAOYSA-N	-1	1	382.401	2.389	40	0		GEABMM