smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(O)cc3c1OC(C)(C)C3)C2	ZINC000026940919	202150502	/nfs/dbraw/zinc/15/05/02/202150502.db2.gz	XDBKBIKMLNHPLX-AGUYFDCRSA-N	1	1	330.428	2.461	1	0		EEAFMO
CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@H]1[N@H+]2C	ZINC000028525015	202171853	/nfs/dbraw/zinc/17/18/53/202171853.db2.gz	QKTXQEDBXGTOFH-GTUIKHEBSA-N	1	1	329.396	2.410	1	0		EEAFMO
COc1ccc(CCO[C@@H]2CCCC[C@H]2[NH+]2CCNCC2)cc1OC	ZINC000028653884	202173553	/nfs/dbraw/zinc/17/35/53/202173553.db2.gz	HNDXSQDAAHOVRN-QZTJIDSGSA-N	1	1	348.487	2.479	1	0		EEAFMO
O[C@H]1C[N@@H+](Cc2ccc(C3CCCC3)s2)C[C@@H]1N1CCOCC1	ZINC000022919019	202095682	/nfs/dbraw/zinc/09/56/82/202095682.db2.gz	HBCRLYRUVBGIPM-IRXDYDNUSA-N	1	1	336.501	2.283	1	0		EEAFMO
COc1cc2c(cc1OC)[C@@H]1C[C@@]3(CN(C)C(=O)O3)CC[N@H+]1CC2	ZINC000029221675	202182864	/nfs/dbraw/zinc/18/28/64/202182864.db2.gz	OHKGHMJFMQQDDV-KBXCAEBGSA-N	1	1	332.400	2.218	1	0		EEAFMO
CCn1c2ccccc2n(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=O	ZINC000000004621	201357373	/nfs/dbraw/zinc/35/73/73/201357373.db2.gz	JJZXGTBGAPUCHC-PBWFPOADSA-N	1	1	329.400	2.433	1	0	in-vitro	EEAFMO
CC(C)c1cnc(CN(C)[C@@H]2CC[N@@H+](CCc3cnn(C)c3)C2)o1	ZINC000078892164	463162011	/nfs/dbraw/zinc/16/20/11/463162011.db2.gz	KDIQIYVCRBIMND-MRXNPFEDSA-N	1	1	331.464	2.280	1	0		EEAFMO
CN1CC[NH+](Cc2cccc(-c3nc4c(cccc4C(N)=O)[nH]3)c2)CC1	ZINC000026492683	202143537	/nfs/dbraw/zinc/14/35/37/202143537.db2.gz	JBHCTBKEANVJGQ-UHFFFAOYSA-N	1	1	349.438	2.076	1	0		EEAFMO
CCC[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCc2c(O)cccc2C1	ZINC000028010680	202163737	/nfs/dbraw/zinc/16/37/37/202163737.db2.gz	REHXXYIOTYMGDS-OAHLLOKOSA-N	1	1	325.474	2.396	1	0		EEAFMO
CC[NH+](CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C	ZINC000001847296	201358610	/nfs/dbraw/zinc/35/86/10/201358610.db2.gz	LJVLWBNWPQLYFD-UHFFFAOYSA-N	1	1	346.406	2.379	1	0		EEAFMO
Cc1nc2cc(C)nc(C)n2c1C[NH+]1CCN(c2ccccn2)CC1	ZINC000043120634	132412938	/nfs/dbraw/zinc/41/29/38/132412938.db2.gz	URKAJHJBVOPDPZ-UHFFFAOYSA-N	1	1	336.443	2.372	1	0		EEAFMO
CN(C)C(=O)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000029554302	202189898	/nfs/dbraw/zinc/18/98/98/202189898.db2.gz	HCYYQRZLXJGERU-AGUYFDCRSA-N	1	1	330.432	2.135	1	0		EEAFMO
CC(=O)Nc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1	ZINC000022932716	202096117	/nfs/dbraw/zinc/09/61/17/202096117.db2.gz	VFOLNMXCWZJXGM-IBGZPJMESA-N	1	1	333.476	2.170	3	0		EEAFMO
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)[N@H+]3C)cc1	ZINC000036177318	202318051	/nfs/dbraw/zinc/31/80/51/202318051.db2.gz	SAGKYUWOOFCCBT-YDZRNGNQSA-N	1	1	328.456	2.420	1	0		EEAFMO
CC(C)=CCC1=C[C@@](O)(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@H]1O	ZINC000014930170	560227542	/nfs/dbraw/zinc/22/75/42/560227542.db2.gz	WTJGJRJHDRYDGX-RUBXOHKTSA-N	1	1	349.471	2.323	1	0	biogenic,in-vitro	EEAFMO
NC(=O)c1cncc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1	ZINC000101363772	219123844	/nfs/dbraw/zinc/12/38/44/219123844.db2.gz	ILSXMIVMEKRQPZ-ZSHCYNCHSA-N	1	1	338.411	2.150	1	0		EEAFMO
C[N@H+]1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1	ZINC000040875877	213396407	/nfs/dbraw/zinc/39/64/07/213396407.db2.gz	PUTYLQRIQFVFDQ-INIZCTEOSA-N	1	1	335.448	2.485	1	0		EEAFMO
C[N@H+]1CCC=C([C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1	ZINC000040875882	213395877	/nfs/dbraw/zinc/39/58/77/213395877.db2.gz	WKNNFHUIZFRHBO-INIZCTEOSA-N	1	1	335.448	2.485	1	0		EEAFMO
Cc1c2c(c(C)c(O)c1C)[C@@H](CN1CC[NH+](CCO)CC1)C(C)(C)O2	ZINC000022934286	212337490	/nfs/dbraw/zinc/33/74/90/212337490.db2.gz	TXFFRQXQLQRADA-MRXNPFEDSA-N	1	1	348.487	2.182	1	0		EEAFMO
CCNC(=[NH2+])NCCC[C@H](N)C(=O)Nc1cccc2ccccc21	ZINC000103239276	219273357	/nfs/dbraw/zinc/27/33/57/219273357.db2.gz	LVVMJONZXBSLJZ-HNNXBMFYSA-N	1	1	327.432	2.020	1	0		EEAFMO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1	ZINC000040374155	213293570	/nfs/dbraw/zinc/29/35/70/213293570.db2.gz	GOHDSZGHAHFEHG-NAPGPNBUSA-N	1	1	342.439	2.440	1	0	in-vitro	EEAFMO
C[C@@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1	ZINC000040374159	213293500	/nfs/dbraw/zinc/29/35/00/213293500.db2.gz	GOHDSZGHAHFEHG-GYJQIRMQSA-N	1	1	342.439	2.440	1	0		EEAFMO
CCCC[N@@H+](CC)CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O	ZINC000004056889	210108955	/nfs/dbraw/zinc/10/89/55/210108955.db2.gz	CLMITHKNQUAEQC-QGZVFWFLSA-N	1	1	346.475	2.438	3	0		EEAFMO
OCC[NH+]1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1	ZINC000022925258	212335453	/nfs/dbraw/zinc/33/54/53/212335453.db2.gz	YHNPEPCGBKSLOS-INIZCTEOSA-N	1	1	347.459	2.443	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1	ZINC000011664340	211231065	/nfs/dbraw/zinc/23/10/65/211231065.db2.gz	QSVRAGHCOWYAPB-MRXNPFEDSA-N	1	1	327.432	2.240	1	0		EEAFMO
CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000011664340	211231069	/nfs/dbraw/zinc/23/10/69/211231069.db2.gz	QSVRAGHCOWYAPB-MRXNPFEDSA-N	1	1	327.432	2.240	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000011664340	211231071	/nfs/dbraw/zinc/23/10/71/211231071.db2.gz	QSVRAGHCOWYAPB-MRXNPFEDSA-N	1	1	327.432	2.240	1	0		EEAFMO
[NH3+][C@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2c3ccccc3sc2CN1	ZINC000027105928	212546735	/nfs/dbraw/zinc/54/67/35/212546735.db2.gz	JNPLFADFIGKWML-RRFJBIMHSA-N	1	1	329.469	2.302	1	0		EEAFMO
CC(C)Cc1ccc(C2=NN(CN3CC[NH+](C)CC3)C(=O)CC2)cc1	ZINC000049803245	214033082	/nfs/dbraw/zinc/03/30/82/214033082.db2.gz	LPECGIDWCJGCDQ-UHFFFAOYSA-N	1	1	342.487	2.417	1	0		EEAFMO
CCN(CC)CC[NH+]1CCC(c2nc3c(cccc3C(N)=O)[nH]2)CC1	ZINC000040863094	213394994	/nfs/dbraw/zinc/39/49/94/213394994.db2.gz	YFWKBYJZGLOJSM-UHFFFAOYSA-N	1	1	343.475	2.183	1	0		EEAFMO
COc1cc([C@H](c2c[nH+]c(N)nc2N)C(C)C)cc(OC)c1OC	ZINC000040567764	213352261	/nfs/dbraw/zinc/35/22/61/213352261.db2.gz	QOKSGFCNMMCDIW-CQSZACIVSA-N	1	1	332.404	2.455	1	0		EEAFMO
COc1cc(CNc2ccc3[nH+]c(N)nc(N)c3c2)cc(OC)c1	ZINC000003814867	210077477	/nfs/dbraw/zinc/07/74/77/210077477.db2.gz	WFWMBUFEDMTUNR-UHFFFAOYSA-N	1	1	325.372	2.424	1	0		EEAFMO
C[NH+]1CCN(Cc2ccc(-c3ccc4ccn(C(N)=O)c4n3)cc2)CC1	ZINC000103236257	219273843	/nfs/dbraw/zinc/27/38/43/219273843.db2.gz	JKGMZEORGIKORD-UHFFFAOYSA-N	1	1	349.438	2.378	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000012449263	279241677	/nfs/dbraw/zinc/24/16/77/279241677.db2.gz	UOWBRWMOGYBYBQ-AWEZNQCLSA-N	1	1	331.445	2.060	1	0		EEAFMO
COc1ccc(C[N@@H+]2CCC(=O)N([C@H](CO)CC(C)C)CC2)cc1	ZINC000012474388	211390774	/nfs/dbraw/zinc/39/07/74/211390774.db2.gz	RHMJTBZVILEWKY-KRWDZBQOSA-N	1	1	334.460	2.137	3	0		EEAFMO
O=C(C1CC=CC1)N1C[C@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1	ZINC000299842409	257655460	/nfs/dbraw/zinc/65/54/60/257655460.db2.gz	PQNLJKHVBARITE-IAGOWNOFSA-N	1	1	332.469	2.374	1	0		EEAFMO
COc1ccccc1NC(=S)N1CCO[C@H](C2=CCC[N@@H+](C)C2)C1	ZINC000040879898	213396945	/nfs/dbraw/zinc/39/69/45/213396945.db2.gz	FLBPYDBQECBQLV-KRWDZBQOSA-N	1	1	347.484	2.355	1	0		EEAFMO
CCNc1nc(N2CCC[N@@H+](C)CC2)nc2cc(OC)c(OC)cc21	ZINC000036382569	213092736	/nfs/dbraw/zinc/09/27/36/213092736.db2.gz	ZPGSQOKCCPVAQI-UHFFFAOYSA-N	1	1	345.447	2.221	1	0		EEAFMO
Cc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3)CC2)c(C)c1	ZINC000028473675	212620573	/nfs/dbraw/zinc/62/05/73/212620573.db2.gz	LLECKUACDUYOJG-UHFFFAOYSA-N	1	1	338.455	2.250	1	0		EEAFMO
CCC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1	ZINC000052913671	214155139	/nfs/dbraw/zinc/15/51/39/214155139.db2.gz	VJANRDVJTYOXQP-LBPRGKRZSA-N	1	1	341.814	2.408	1	0		EEAFMO
COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC	ZINC000103230658	219272094	/nfs/dbraw/zinc/27/20/94/219272094.db2.gz	DJIVYOZJUUNZBB-WDNDVIMCSA-N	1	1	335.400	2.494	1	0		EEAFMO
CC(C)Cn1c2ccccc2nc1CN1CC[N@@H+](C)[C@@H](CCO)C1	ZINC000022926633	212335737	/nfs/dbraw/zinc/33/57/37/212335737.db2.gz	VVMOPJSIDOESHF-INIZCTEOSA-N	1	1	330.476	2.191	3	0		EEAFMO
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CCC1=CC[N@H+]3C[C@H]2O	ZINC000084153817	560046266	/nfs/dbraw/zinc/04/62/66/560046266.db2.gz	OKOWTOMZIDGJAC-CRFBAAHOSA-N	1	1	331.412	2.387	1	0	biogenic,in-vitro	EEAFMO
COCCc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1	ZINC000055072622	214269712	/nfs/dbraw/zinc/26/97/12/214269712.db2.gz	YMUXLZJXHPWBAB-FQEVSTJZSA-N	1	1	344.503	2.363	1	0		EEAFMO
O=C(c1ccncc1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC000299842208	257655614	/nfs/dbraw/zinc/65/56/14/257655614.db2.gz	LROYFULYDRDHGY-WMZOPIPTSA-N	1	1	341.386	2.198	1	0		EEAFMO
C[N@@H+](Cc1cnc(N)nc1)[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000020205938	212112586	/nfs/dbraw/zinc/11/25/86/212112586.db2.gz	ILFLCUMMLLHEFT-MRXNPFEDSA-N	1	1	329.423	2.294	1	0		EEAFMO
CN(Cc1cnc(N)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000020205938	212112588	/nfs/dbraw/zinc/11/25/88/212112588.db2.gz	ILFLCUMMLLHEFT-MRXNPFEDSA-N	1	1	329.423	2.294	1	0		EEAFMO
CN(Cc1cnc(N)nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000020205938	212112589	/nfs/dbraw/zinc/11/25/89/212112589.db2.gz	ILFLCUMMLLHEFT-MRXNPFEDSA-N	1	1	329.423	2.294	1	0		EEAFMO
CSCO[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103268994	219280560	/nfs/dbraw/zinc/28/05/60/219280560.db2.gz	NPNYNQBJHKFRMK-WNRNVDISSA-N	1	1	347.436	2.093	1	0		EEAFMO
NC(=O)c1cccc2[nH]c(-c3cccc(C[NH+]4CCOCC4)c3)nc21	ZINC000026491799	581100582	/nfs/dbraw/zinc/10/05/82/581100582.db2.gz	CMBUUWJUNUVXHT-UHFFFAOYSA-N	1	1	336.395	2.161	1	0		EEAFMO
C[N@@H+](CCNC(=O)c1nc(-c2cccnc2)no1)C1CCCCC1	ZINC000009405781	211079661	/nfs/dbraw/zinc/07/96/61/211079661.db2.gz	VICZNZRPJALAQN-UHFFFAOYSA-N	1	1	329.404	2.126	1	0		EEAFMO
Cc1ccc2nc3c(O)n(CCC[NH+]4CCOCC4)cnc-3c2c1	ZINC000008579237	201753433	/nfs/dbraw/zinc/75/34/33/201753433.db2.gz	KCUHRGIWHRGIBE-UHFFFAOYSA-N	1	1	326.400	2.272	1	0		EEAFMO
CC1(C)[C@@H](n2cnc3ccccc3c2=O)C=C[C@@H]2[C@@H](O)CCC[N@H+]21	ZINC000026574211	202145660	/nfs/dbraw/zinc/14/56/60/202145660.db2.gz	OZBWFXXASLWIRC-IKGGRYGDSA-N	1	1	325.412	2.111	1	0		EEAFMO
Cc1cccc(NC(=O)C[NH+]2CCC(c3cccc[n+]3[O-])CC2)c1	ZINC000035075419	202286386	/nfs/dbraw/zinc/28/63/86/202286386.db2.gz	NJHQEWHCSIFEMP-UHFFFAOYSA-N	1	1	325.412	2.447	1	0		EEAFMO
NC(=O)n1ccc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)nc21	ZINC000103236252	204069018	/nfs/dbraw/zinc/06/90/18/204069018.db2.gz	QHIIDJMYFYGHEO-UHFFFAOYSA-N	1	1	336.395	2.462	1	0		EEAFMO
O=C1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000029234664	202183148	/nfs/dbraw/zinc/18/31/48/202183148.db2.gz	XNXORWDKIQPSNX-BBNYVJOESA-N	1	1	325.408	2.411	1	0		EEAFMO
CN([C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1)S(=O)(=O)N1CCCC1	ZINC000029216351	202183387	/nfs/dbraw/zinc/18/33/87/202183387.db2.gz	PDYPHDGHRXHNNJ-AEFFLSMTSA-N	1	1	349.500	2.021	1	0		EEAFMO
COc1ccc(CNc2ccc3[nH+]c(N)nc(N)c3c2)c(OC)c1	ZINC000005889048	201665816	/nfs/dbraw/zinc/66/58/16/201665816.db2.gz	BZYVACJRYZJYKG-UHFFFAOYSA-N	1	1	325.372	2.424	1	0		EEAFMO
COc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)c1cccnc1CO2	ZINC000022441281	202085569	/nfs/dbraw/zinc/08/55/69/202085569.db2.gz	XJMABPLMLZHDIW-LJQANCHMSA-N	1	1	325.412	2.319	1	0		EEAFMO
C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](C)C2)C1=O	ZINC000026385377	202142691	/nfs/dbraw/zinc/14/26/91/202142691.db2.gz	JEBIQDWUBWGGRV-KBPBESRZSA-N	1	1	344.411	2.085	1	0		EEAFMO
CCOC(=O)C1=C(O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(O)cc42)[C@H]3C1	ZINC000028115237	202165399	/nfs/dbraw/zinc/16/53/99/202165399.db2.gz	XUOQREZRAUHJRW-CNVJLJKISA-N	1	1	343.423	2.049	1	0		EEAFMO
CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2c1OCCN2C	ZINC000028250152	202167637	/nfs/dbraw/zinc/16/76/37/202167637.db2.gz	BKZJUXQQYKNDDO-CYBMUJFWSA-N	1	1	337.851	2.383	1	0		EEAFMO
Cc1cccc(N2CC[C@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)[nH+]1	ZINC000299841830	257656375	/nfs/dbraw/zinc/65/63/75/257656375.db2.gz	YKCQOSGHTUHVMR-DOTOQJQBSA-N	1	1	341.411	2.351	1	0		EEAFMO
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1CC[N@H+]3CCC2	ZINC000014440758	560221456	/nfs/dbraw/zinc/22/14/56/560221456.db2.gz	ZBIQTIQJLXNQFZ-DBVUQKKJSA-N	1	1	345.439	2.257	1	0	biogenic,in-vitro	EEAFMO
O=C(c1csnn1)N1CCC[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1	ZINC000003956249	210095638	/nfs/dbraw/zinc/09/56/38/210095638.db2.gz	HBEIXDKTEYFLAR-KRWDZBQOSA-N	1	1	343.456	2.061	1	0		EEAFMO
CC1=NN(c2ccccc2)[C@@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12	ZINC000073199547	216363833	/nfs/dbraw/zinc/36/38/33/216363833.db2.gz	BIFOHDNJLUSULU-SFHVURJKSA-N	1	1	331.383	2.482	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1	ZINC000011664341	279241639	/nfs/dbraw/zinc/24/16/39/279241639.db2.gz	QSVRAGHCOWYAPB-INIZCTEOSA-N	1	1	327.432	2.240	1	0		EEAFMO
CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000011664341	279241640	/nfs/dbraw/zinc/24/16/40/279241640.db2.gz	QSVRAGHCOWYAPB-INIZCTEOSA-N	1	1	327.432	2.240	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1	ZINC000011664341	279241642	/nfs/dbraw/zinc/24/16/42/279241642.db2.gz	QSVRAGHCOWYAPB-INIZCTEOSA-N	1	1	327.432	2.240	1	0		EEAFMO
O=S(=O)(CC[NH+]1CCCC1)Cc1ccc(Br)cc1	ZINC000103249100	219275761	/nfs/dbraw/zinc/27/57/61/219275761.db2.gz	GZBNEYLHLVLOQM-UHFFFAOYSA-N	1	1	332.263	2.460	1	0		EEAFMO
COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC	ZINC000103227327	219273012	/nfs/dbraw/zinc/27/30/12/219273012.db2.gz	DJIVYOZJUUNZBB-BTTYYORXSA-N	1	1	335.400	2.494	1	0		EEAFMO
C[NH+]1CCN(Cc2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)CC1	ZINC000026489932	581098814	/nfs/dbraw/zinc/09/88/14/581098814.db2.gz	FIYMDYYTMPMPSL-UHFFFAOYSA-N	1	1	349.438	2.076	1	0		EEAFMO
OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@H](O)C[NH2+]C2	ZINC000053296404	214175170	/nfs/dbraw/zinc/17/51/70/214175170.db2.gz	ZRKUIHUDCUBDPN-OAHLLOKOSA-N	1	1	331.441	2.039	1	0		EEAFMO
COc1ccc(CN(C)c2ccc3[nH+]c(N)nc(N)c3c2)c(OC)c1	ZINC000003814864	210076850	/nfs/dbraw/zinc/07/68/50/210076850.db2.gz	QABCVDFLEMLVBN-UHFFFAOYSA-N	1	1	339.399	2.448	1	0		EEAFMO
CCC[N@H+]1C[C@@H](Cn2cccn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21	ZINC000103224174	219271879	/nfs/dbraw/zinc/27/18/79/219271879.db2.gz	VGUCRFZEXJNJAG-KVSKMBFKSA-N	1	1	327.428	2.236	1	0		EEAFMO
NC(=O)c1cccc2[nH]c(-c3ccc(C[NH+]4CCOCC4)cc3)nc21	ZINC000026487656	581100464	/nfs/dbraw/zinc/10/04/64/581100464.db2.gz	UPZUGQSKDPPDCM-UHFFFAOYSA-N	1	1	336.395	2.161	1	0		EEAFMO
COc1ccc(NCc2ccc3[nH+]c(N)nc(N)c3c2)cc1OC	ZINC000049583069	214019793	/nfs/dbraw/zinc/01/97/93/214019793.db2.gz	FDHLKVXBJSMYEW-UHFFFAOYSA-N	1	1	325.372	2.424	1	0		EEAFMO
CCCn1cc(C(=O)[O-])c(=O)c2ccc(N3CC[NH+](CC)CC3)cc21	ZINC000103286548	219283305	/nfs/dbraw/zinc/28/33/05/219283305.db2.gz	QVWZXOKAEWZCHP-UHFFFAOYSA-N	1	1	343.427	2.252	1	0		EEAFMO
COc1cc([C@@H](c2c[nH+]c(N)nc2N)C(C)C)cc(OC)c1OC	ZINC000040567762	213352483	/nfs/dbraw/zinc/35/24/83/213352483.db2.gz	QOKSGFCNMMCDIW-AWEZNQCLSA-N	1	1	332.404	2.455	1	0		EEAFMO
COc1ccc(NC(=S)N2CCO[C@H](C3=CCC[N@@H+](C)C3)C2)cc1	ZINC000040879915	213397895	/nfs/dbraw/zinc/39/78/95/213397895.db2.gz	FRVVRIWPLGATRV-KRWDZBQOSA-N	1	1	347.484	2.355	1	0		EEAFMO
CC(C)[C@@H]([NH+]1CCOCC1)C(O)(c1cccnc1)c1cccnc1	ZINC000038278223	213206817	/nfs/dbraw/zinc/20/68/17/213206817.db2.gz	BOEKOZVTAVMFTP-GOSISDBHSA-N	1	1	327.428	2.069	1	0		EEAFMO
O=C(NCCC[NH+]1CCOCC1)c1cc2ccc3cccnc3c2[nH]1	ZINC000020575394	212148879	/nfs/dbraw/zinc/14/88/79/212148879.db2.gz	FKRCJTATZUGGJZ-UHFFFAOYSA-N	1	1	338.411	2.168	1	0		EEAFMO
Cc1noc(C)c1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CCOCC1	ZINC000096064694	218559258	/nfs/dbraw/zinc/55/92/58/218559258.db2.gz	FNGIKFJLPGWPAB-ROUUACIJSA-N	1	1	347.459	2.283	1	0		EEAFMO
Clc1cc(CC[NH+]2CCN(c3ncccn3)CC2)cc2[nH]cnc21	ZINC000040938807	132408216	/nfs/dbraw/zinc/40/82/16/132408216.db2.gz	CULFPNBQRAJNAL-UHFFFAOYSA-N	1	1	342.834	2.371	1	0		EEAFMO
C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](C)C2)C1=O	ZINC000100824875	219107792	/nfs/dbraw/zinc/10/77/92/219107792.db2.gz	JEBIQDWUBWGGRV-KGLIPLIRSA-N	1	1	344.411	2.085	1	0		EEAFMO
CCOCC[NH+]1CCN(C[C@]2(c3ccc(F)cc3)CCOC2)CC1	ZINC000020135068	212104971	/nfs/dbraw/zinc/10/49/71/212104971.db2.gz	SZHMCYXQLACWCJ-LJQANCHMSA-N	1	1	336.451	2.138	1	0		EEAFMO
COCCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1	ZINC000055072626	214269242	/nfs/dbraw/zinc/26/92/42/214269242.db2.gz	YMUXLZJXHPWBAB-HXUWFJFHSA-N	1	1	344.503	2.363	1	0		EEAFMO
C[NH+]1CCN(CC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1	ZINC000022940450	212338332	/nfs/dbraw/zinc/33/83/32/212338332.db2.gz	JWIJGZQWKSXTDS-FQEVSTJZSA-N	1	1	330.472	2.271	1	0		EEAFMO
CC(C)[N@H+]1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1CCO	ZINC000104549695	219394409	/nfs/dbraw/zinc/39/44/09/219394409.db2.gz	NOWUGUFGOPPHSG-CQSZACIVSA-N	1	1	340.851	2.346	3	0		EEAFMO
O=C1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CC[N@@H+](CC2(O)CC2)C3)C1	ZINC000072170958	216061671	/nfs/dbraw/zinc/06/16/71/216061671.db2.gz	HIXLAMQESUHGDK-AZUAARDMSA-N	1	1	327.424	2.156	1	0		EEAFMO
COc1cc(C)c2nc3n[nH]c(C)c3c(C[N@H+]3CC[C@@H](O)C3)c2c1	ZINC000073157523	216358786	/nfs/dbraw/zinc/35/87/86/216358786.db2.gz	LPMLXYRXWMPONQ-GFCCVEGCSA-N	1	1	326.400	2.303	1	0		EEAFMO
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3CC2CC2)C1	ZINC000038192060	213205144	/nfs/dbraw/zinc/20/51/44/213205144.db2.gz	JKSUUZMNWGEVRC-VAMGGRTRSA-N	1	1	327.424	2.155	1	0		EEAFMO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)N2CCOCC2)[N@H+]3C)cc1	ZINC000036177323	213074690	/nfs/dbraw/zinc/07/46/90/213074690.db2.gz	SAGKYUWOOFCCBT-AKHDSKFASA-N	1	1	328.456	2.420	1	0		EEAFMO
CC(C)C[N@H+]1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO	ZINC000019758227	212062346	/nfs/dbraw/zinc/06/23/46/212062346.db2.gz	PSVZCRAAAHBJED-KRWDZBQOSA-N	1	1	328.460	2.154	3	0		EEAFMO
C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](C)C2)C1=O	ZINC000100824873	219107876	/nfs/dbraw/zinc/10/78/76/219107876.db2.gz	JEBIQDWUBWGGRV-UONOGXRCSA-N	1	1	344.411	2.085	1	0		EEAFMO
CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000012449262	285122436	/nfs/dbraw/zinc/12/24/36/285122436.db2.gz	UOWBRWMOGYBYBQ-CQSZACIVSA-N	1	1	331.445	2.060	1	0		EEAFMO
C[C@@H](c1ccncn1)[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000067872877	215237257	/nfs/dbraw/zinc/23/72/57/215237257.db2.gz	DZQIBFJHECAUDS-NSHDSACASA-N	1	1	338.367	2.240	1	0		EEAFMO
CC(C)[C@H]([NH+]1CCOCC1)C(O)(c1cccnc1)c1cccnc1	ZINC000038278222	213206406	/nfs/dbraw/zinc/20/64/06/213206406.db2.gz	BOEKOZVTAVMFTP-SFHVURJKSA-N	1	1	327.428	2.069	1	0		EEAFMO
CC(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C[C@H]1[N@H+]2C	ZINC000095908910	560057691	/nfs/dbraw/zinc/05/76/91/560057691.db2.gz	QKTXQEDBXGTOFH-HZENTTGOSA-N	1	1	329.396	2.410	1	0	biogenic,in-vitro	EEAFMO
COc1ccc(NC(=S)N2CCO[C@@H](C3=CCC[N@@H+](C)C3)C2)cc1	ZINC000040879921	213397067	/nfs/dbraw/zinc/39/70/67/213397067.db2.gz	FRVVRIWPLGATRV-QGZVFWFLSA-N	1	1	347.484	2.355	1	0		EEAFMO
COc1cc(Cc2c[nH+]c(N)nc2N)c2c(c1OC)OC(C)(C)C=C2	ZINC000039316054	213233974	/nfs/dbraw/zinc/23/39/74/213233974.db2.gz	LUNQTBSXJCBXKL-UHFFFAOYSA-N	1	1	342.399	2.433	1	0		EEAFMO
C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]21	ZINC000107203511	204228872	/nfs/dbraw/zinc/22/88/72/204228872.db2.gz	ZRNCWOMUHMKKKS-VYDXJSESSA-N	1	1	344.484	2.109	1	0		EEAFMO
CC[C@@H](C)Oc1c(OC)cc(Cc2c[nH+]c(N)nc2N)cc1OC	ZINC000028014204	202164623	/nfs/dbraw/zinc/16/46/23/202164623.db2.gz	MLUFWQXJVNOYHL-SNVBAGLBSA-N	1	1	332.404	2.426	1	0		EEAFMO
CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)o1	ZINC000078892171	463160834	/nfs/dbraw/zinc/16/08/34/463160834.db2.gz	KDIQIYVCRBIMND-INIZCTEOSA-N	1	1	331.464	2.280	1	0		EEAFMO
Cc1[nH+]ccn1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1	ZINC000035049908	202285608	/nfs/dbraw/zinc/28/56/08/202285608.db2.gz	GPSDEPHBJFHJLA-UHFFFAOYSA-N	1	1	335.414	2.028	1	0		EEAFMO
OC[C@@H]1CCCC[N@H+]1CCn1ccnc1-c1nc2ccccc2[nH]1	ZINC000071497996	203098430	/nfs/dbraw/zinc/09/84/30/203098430.db2.gz	BPFNOXGNXWJAQX-AWEZNQCLSA-N	1	1	325.416	2.273	1	0		EEAFMO
Cc1ccc2nc3c(O)n(CCCN4CC[NH+](C)CC4)cnc-3c2c1	ZINC000101260745	204003790	/nfs/dbraw/zinc/00/37/90/204003790.db2.gz	FKJOQOPZCRPFQN-UHFFFAOYSA-N	1	1	339.443	2.188	1	0		EEAFMO
Oc1ccc2c(c1)CC[N@H+]([C@H]1CO[C@H](c3ccccc3)OC1)C[C@@H]2O	ZINC000101376885	204004554	/nfs/dbraw/zinc/00/45/54/204004554.db2.gz	DKUNGJZSUMCVMS-FFZOFVMBSA-N	1	1	341.407	2.398	1	0		EEAFMO
Oc1ccc2c(c1)CC[N@@H+]([C@H]1CO[C@H](c3ccccc3)OC1)C[C@@H]2O	ZINC000101376885	204004559	/nfs/dbraw/zinc/00/45/59/204004559.db2.gz	DKUNGJZSUMCVMS-FFZOFVMBSA-N	1	1	341.407	2.398	1	0		EEAFMO
C[N@H+]1CCCN(c2nc(N)nc3c4cc(Cl)cnc4oc32)CC1	ZINC000073161363	203258369	/nfs/dbraw/zinc/25/83/69/203258369.db2.gz	RJVDCNQAKCLXBN-UHFFFAOYSA-N	1	1	332.795	2.149	1	0		EEAFMO
COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000027845452	202160909	/nfs/dbraw/zinc/16/09/09/202160909.db2.gz	IXRJVYCFCPTYKT-VTCSZTPNSA-N	1	1	329.440	2.361	1	0		EEAFMO
C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1	ZINC000029485291	202187831	/nfs/dbraw/zinc/18/78/31/202187831.db2.gz	GOHDSZGHAHFEHG-VIXOLBLUSA-N	1	1	342.439	2.440	1	0		EEAFMO
C[C@@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1	ZINC000029485297	202188020	/nfs/dbraw/zinc/18/80/20/202188020.db2.gz	GOHDSZGHAHFEHG-FETDOPKISA-N	1	1	342.439	2.440	1	0		EEAFMO
CCCn1c2ccccc2n(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=O	ZINC000026143345	202138435	/nfs/dbraw/zinc/13/84/35/202138435.db2.gz	OAZOOTIRHCWITI-GOOCMWNKSA-N	1	1	342.443	2.396	1	0		EEAFMO
COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCC[N@H+]4CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C	ZINC000038287757	560086373	/nfs/dbraw/zinc/08/63/73/560086373.db2.gz	LXAQGNNSRKLTLE-PPBHGVCISA-N	1	1	347.411	2.311	1	0	biogenic,in-vitro	EEAFMO
CC[C@]1(O)C[N@H+]2CC[C@@]34c5ccccc5NC3=C(C(=O)OC)[C@@H]1C[C@@H]24	ZINC000085511397	560073823	/nfs/dbraw/zinc/07/38/23/560073823.db2.gz	DGKIJZKKTDPACC-KMTJZVEASA-N	1	1	340.423	2.026	1	0	biogenic,in-vitro	EEAFMO
O=C1CC[N@H+](Cc2ccccc2)CCN1[C@H](CO)Cc1ccccc1	ZINC000012474397	211390862	/nfs/dbraw/zinc/39/08/62/211390862.db2.gz	SAZXWWGVXQPTQQ-FQEVSTJZSA-N	1	1	338.451	2.325	3	0		EEAFMO
COc1cc2c(c(OC)c1OC)[C@@H](O)O[C@@H]1CC=C3CC[N@@H+](C)[C@@H]3[C@H]21	ZINC000070454207	560048535	/nfs/dbraw/zinc/04/85/35/560048535.db2.gz	MNAREALDHXFRFJ-FYHWNKSOSA-N	1	1	347.411	2.220	1	0	biogenic,in-vitro	EEAFMO
C[C@@H]1C[N@@H+](CCC(=O)NCCc2cccnc2)Cc2ccccc2O1	ZINC000012034486	211281464	/nfs/dbraw/zinc/28/14/64/211281464.db2.gz	REELUDSAEMGFOW-MRXNPFEDSA-N	1	1	339.439	2.414	1	0		EEAFMO
COc1cc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2cc1OC	ZINC000036382493	536895280	/nfs/dbraw/zinc/89/52/80/536895280.db2.gz	LVUJOLCEUFZVGG-UHFFFAOYSA-N	1	1	330.388	2.058	1	0		EEAFMO
COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000040915856	213399313	/nfs/dbraw/zinc/39/93/13/213399313.db2.gz	IBGCEAJBKNAHSX-KRWDZBQOSA-N	1	1	342.395	2.485	1	0		EEAFMO
[NH3+]Cc1noc(-c2c3ccccc3nn2Cc2ccc3c(c2)OCO3)n1	ZINC000040876577	213396422	/nfs/dbraw/zinc/39/64/22/213396422.db2.gz	WEINPPVEJKWVCU-UHFFFAOYSA-N	1	1	349.350	2.322	1	0		EEAFMO
C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CC[N@H+]2C[C@H]1CCCO1	ZINC000040860871	213395060	/nfs/dbraw/zinc/39/50/60/213395060.db2.gz	OWRBBFHZDDJXIW-GNYRAKODSA-N	1	1	328.456	2.489	1	0		EEAFMO
CCOc1ccc(S(=O)(=O)NN2Cc3ccccc3C2=[NH2+])cc1	ZINC000035510863	213035178	/nfs/dbraw/zinc/03/51/78/213035178.db2.gz	IBTZCYCFZIWKJV-UHFFFAOYSA-N	1	1	331.397	2.120	3	0		EEAFMO
Cc1c2c(c(C)c(O)c1C)[C@H](CN1CC[NH+](CCO)CC1)C(C)(C)O2	ZINC000022934282	212338053	/nfs/dbraw/zinc/33/80/53/212338053.db2.gz	TXFFRQXQLQRADA-INIZCTEOSA-N	1	1	348.487	2.182	1	0		EEAFMO
COc1ccc(C(=O)[C@@H]2CCCN(c3nc(N)cc[nH+]3)C2)c(C)c1	ZINC000091425108	218003226	/nfs/dbraw/zinc/00/32/26/218003226.db2.gz	UEEAQYRQXIOSLK-CYBMUJFWSA-N	1	1	326.400	2.475	1	0		EEAFMO
COc1ccc2c(c1)CC[C@H]([N@H+]1C=CN(C)CC1)[C@H]2N(C)C(C)=O	ZINC000101756131	219161855	/nfs/dbraw/zinc/16/18/55/219161855.db2.gz	KOLBHGRNRPCNRR-OALUTQOASA-N	1	1	329.444	2.248	1	0		EEAFMO
COc1ccc2c(c1)CC[C@H]([N@@H+]1C=CN(C)CC1)[C@H]2N(C)C(C)=O	ZINC000101756131	219161856	/nfs/dbraw/zinc/16/18/56/219161856.db2.gz	KOLBHGRNRPCNRR-OALUTQOASA-N	1	1	329.444	2.248	1	0		EEAFMO
COc1ccc2c(c1)CC[C@H](N1C=C[N@@H+](C)CC1)[C@H]2N(C)C(C)=O	ZINC000101756131	219161858	/nfs/dbraw/zinc/16/18/58/219161858.db2.gz	KOLBHGRNRPCNRR-OALUTQOASA-N	1	1	329.444	2.248	1	0		EEAFMO
COc1ccc2c(c1)CC[C@H](N1C=C[N@H+](C)CC1)[C@H]2N(C)C(C)=O	ZINC000101756131	219161860	/nfs/dbraw/zinc/16/18/60/219161860.db2.gz	KOLBHGRNRPCNRR-OALUTQOASA-N	1	1	329.444	2.248	1	0		EEAFMO
COc1cc(CN(C)c2ccc3[nH+]c(N)nc(N)c3c2)cc(OC)c1	ZINC000003814863	210077075	/nfs/dbraw/zinc/07/70/75/210077075.db2.gz	KPUKMCAOBYZDQE-UHFFFAOYSA-N	1	1	339.399	2.448	1	0		EEAFMO
COC(=O)C[C@@H]1[C@H]2CC[C@H]3[C@H]4C(=O)O[C@H]([C@H]4C(C)C)[C@@H]([N@H+]1C)[C@@]23C	ZINC000085493085	560075011	/nfs/dbraw/zinc/07/50/11/560075011.db2.gz	IAIIJNHQMKXPHL-HYXRZFGTSA-N	1	1	335.444	2.092	1	0	biogenic,in-vitro	EEAFMO
CC(C)n1c2ccccc2n(C(=O)NC[C@@H]2CC[N@H+]3CCC[C@@H]23)c1=O	ZINC000003801356	210074882	/nfs/dbraw/zinc/07/48/82/210074882.db2.gz	QLKYHAQZBFWRHO-GJZGRUSLSA-N	1	1	342.443	2.426	1	0		EEAFMO
C[N@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccccc3F)CCO2)C1	ZINC000040875879	213395615	/nfs/dbraw/zinc/39/56/15/213395615.db2.gz	PUTYLQRIQFVFDQ-MRXNPFEDSA-N	1	1	335.448	2.485	1	0		EEAFMO
C[N@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)C1	ZINC000040875885	213396023	/nfs/dbraw/zinc/39/60/23/213396023.db2.gz	WKNNFHUIZFRHBO-MRXNPFEDSA-N	1	1	335.448	2.485	1	0		EEAFMO
COc1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)c1cccnc1CO2	ZINC000022942260	212338486	/nfs/dbraw/zinc/33/84/86/212338486.db2.gz	XJMABPLMLZHDIW-IBGZPJMESA-N	1	1	325.412	2.319	1	0		EEAFMO
C[C@@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1)[C@H](C)O	ZINC000040374147	213293217	/nfs/dbraw/zinc/29/32/17/213293217.db2.gz	GOHDSZGHAHFEHG-GLYSNPQVSA-N	1	1	342.439	2.440	1	0		EEAFMO
COc1cc(-c2nc(CN3CC[NH+](C)CC3)co2)cc(OC)c1OC	ZINC000072182106	216066956	/nfs/dbraw/zinc/06/69/56/216066956.db2.gz	BKFCRGJNEPWZQS-UHFFFAOYSA-N	1	1	347.415	2.115	1	0		EEAFMO
O=C1CC[N@H+](Cc2ccc(O)cc2)CCN1[C@H](CO)c1ccccc1	ZINC000012474561	211390031	/nfs/dbraw/zinc/39/00/31/211390031.db2.gz	BBSMOMYKEHJDLJ-LJQANCHMSA-N	1	1	340.423	2.160	3	0		EEAFMO
O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5	ZINC000079641521	217245574	/nfs/dbraw/zinc/24/55/74/217245574.db2.gz	XNXORWDKIQPSNX-SMHQJORMSA-N	1	1	325.408	2.411	1	0		EEAFMO
COc1cccc(NC(=S)N2CCO[C@@H](C3=CCC[N@@H+](C)C3)C2)c1	ZINC000040879911	213396796	/nfs/dbraw/zinc/39/67/96/213396796.db2.gz	KDZOZIJJZTVFLL-QGZVFWFLSA-N	1	1	347.484	2.355	1	0		EEAFMO
C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)c3ncccc23)CC1	ZINC000072322957	216149961	/nfs/dbraw/zinc/14/99/61/216149961.db2.gz	QPIGTDKFMRCHQV-UHFFFAOYSA-N	1	1	334.423	2.472	1	0		EEAFMO
COc1ccc(C(=O)[C@H]2CCCN(c3nc(N)cc[nH+]3)C2)c(C)c1	ZINC000091425109	218002884	/nfs/dbraw/zinc/00/28/84/218002884.db2.gz	UEEAQYRQXIOSLK-ZDUSSCGKSA-N	1	1	326.400	2.475	1	0		EEAFMO
Cc1ccc(N2C[C@H]3C[N@@H+](Cc4ccsc4)CCO[C@@H]3C2)nn1	ZINC000299841957	257656132	/nfs/dbraw/zinc/65/61/32/257656132.db2.gz	FZVASWMNHHBPTO-HZPDHXFCSA-N	1	1	330.457	2.184	1	0		EEAFMO
CCn1c2ccccc2n(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=O	ZINC000000004620	560176565	/nfs/dbraw/zinc/17/65/65/560176565.db2.gz	MZRKHUUDDHJVHS-AGUYFDCRSA-N	1	1	328.416	2.006	1	0	in-vitro	EEAFMO
OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CC[N@H+]1CC1CC1	ZINC000040913923	213399295	/nfs/dbraw/zinc/39/92/95/213399295.db2.gz	KZPYCWJXCIGRQW-XRXFAXGQSA-N	1	1	341.451	2.354	1	0		EEAFMO
Fc1cnc(N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2Cc2ccccc2)nc1	ZINC000096070010	303137071	/nfs/dbraw/zinc/13/70/71/303137071.db2.gz	NWMCATCDZVOFFK-MSOLQXFVSA-N	1	1	342.418	2.138	1	0		EEAFMO
COc1cc(Cc2c[nH+]c(N)nc2N)c2c(c1OC)O[C@H](C)C=C2	ZINC000039316050	213235156	/nfs/dbraw/zinc/23/51/56/213235156.db2.gz	YXVYIKAJJZFIQN-SECBINFHSA-N	1	1	328.372	2.043	1	0		EEAFMO
COc1cc2c(cc1OC)=C1C=Cc3cc4c(cc3[C@H]1[N@@H+](C)C=2)OCO4	ZINC000095486030	560061780	/nfs/dbraw/zinc/06/17/80/560061780.db2.gz	CUPJBBLOERFPFT-NRFANRHFSA-N	1	1	349.386	2.035	1	0	biogenic,in-vitro	EEAFMO
COc1cc2c(cc1OC)=C1C=Cc3cc4c(cc3[C@H]1[N@H+](C)C=2)OCO4	ZINC000095486030	560061781	/nfs/dbraw/zinc/06/17/81/560061781.db2.gz	CUPJBBLOERFPFT-NRFANRHFSA-N	1	1	349.386	2.035	1	0	biogenic,in-vitro	EEAFMO
COc1cc2c(c(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c1)O[C@@H](C)C2	ZINC000026948747	202149967	/nfs/dbraw/zinc/14/99/67/202149967.db2.gz	HEGCNUMCFQIISG-PRTUASRFSA-N	1	1	330.428	2.374	1	0		EEAFMO
C[N@@H+](Cc1cnc(N)nc1)[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000020205942	212112457	/nfs/dbraw/zinc/11/24/57/212112457.db2.gz	ILFLCUMMLLHEFT-INIZCTEOSA-N	1	1	329.423	2.294	1	0		EEAFMO
CN(Cc1cnc(N)nc1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000020205942	212112459	/nfs/dbraw/zinc/11/24/59/212112459.db2.gz	ILFLCUMMLLHEFT-INIZCTEOSA-N	1	1	329.423	2.294	1	0		EEAFMO
CN(Cc1cnc(N)nc1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000020205942	212112461	/nfs/dbraw/zinc/11/24/61/212112461.db2.gz	ILFLCUMMLLHEFT-INIZCTEOSA-N	1	1	329.423	2.294	1	0		EEAFMO
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C[N@@H+](C)[C@H](C)[C@@H]1c1ccccc1	ZINC000028464669	202171123	/nfs/dbraw/zinc/17/11/23/202171123.db2.gz	PLIBPCZWAZTVBS-DZUCGIPZSA-N	1	1	333.428	2.463	1	0		EEAFMO
CC[C@@H](C)[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5	ZINC000169341391	206552804	/nfs/dbraw/zinc/55/28/04/206552804.db2.gz	DHWOEIFEZNBNSB-QHOWBERBSA-N	1	1	327.424	2.367	1	0		EEAFMO
C[NH+]1CCN(CC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1	ZINC000019358838	202005972	/nfs/dbraw/zinc/00/59/72/202005972.db2.gz	JWIJGZQWKSXTDS-HXUWFJFHSA-N	1	1	330.472	2.271	1	0		EEAFMO
COc1ccc2c3c1O[C@H]1[C@@H](O)C(C)(C)C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000027845446	202159875	/nfs/dbraw/zinc/15/98/75/202159875.db2.gz	IXRJVYCFCPTYKT-KWAUXISBSA-N	1	1	329.440	2.361	1	0		EEAFMO
COc1ccc(OC)c(CCCc2c[nH]c3nc(N)[nH+]c(N)c23)c1	ZINC000038237719	202399733	/nfs/dbraw/zinc/39/97/33/202399733.db2.gz	NIWUWGYGSDKPLD-UHFFFAOYSA-N	1	1	327.388	2.315	1	0		EEAFMO
OCC[NH+]1CCN(C2=Nc3ccccc3Nc3cscc32)CC1	ZINC000039241375	213232848	/nfs/dbraw/zinc/23/28/48/213232848.db2.gz	DIUWEUYKNKHBOT-UHFFFAOYSA-N	1	1	328.441	2.493	1	0		EEAFMO
O=C1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5	ZINC000169306091	226239476	/nfs/dbraw/zinc/23/94/76/226239476.db2.gz	XNXORWDKIQPSNX-FQZPYLGXSA-N	1	1	325.408	2.411	1	0		EEAFMO
O=C1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000029234657	212658865	/nfs/dbraw/zinc/65/88/65/212658865.db2.gz	XNXORWDKIQPSNX-WZBLMQSHSA-N	1	1	325.408	2.411	1	0		EEAFMO
Cn1cc2c(n1)Nc1ccc(Cl)cc1N=C2N1CC[NH+](C)CC1	ZINC000026576554	212526947	/nfs/dbraw/zinc/52/69/47/212526947.db2.gz	LBZWPAIXXRQBFP-UHFFFAOYSA-N	1	1	330.823	2.456	1	0		EEAFMO
[NH3+]Cc1noc(-c2nn(Cc3ccc4c(c3)OCO4)c3ccccc32)n1	ZINC000040401780	213299324	/nfs/dbraw/zinc/29/93/24/213299324.db2.gz	VHKUSJSIQBRTTA-UHFFFAOYSA-N	1	1	349.350	2.322	1	0		EEAFMO
O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)NC1CC1	ZINC000004908176	210318806	/nfs/dbraw/zinc/31/88/06/210318806.db2.gz	KJTLSXGIBHEINN-AYHJJNSGSA-N	1	1	341.455	2.081	1	0		EEAFMO
COc1cc2[nH+]c(N3CCOCC3)nc(NC(C)C)c2cc1OC	ZINC000036382502	536895626	/nfs/dbraw/zinc/89/56/26/536895626.db2.gz	QUBSZANWLFYCHI-UHFFFAOYSA-N	1	1	332.404	2.304	1	0		EEAFMO
COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@H+]4CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C	ZINC000101591782	219143533	/nfs/dbraw/zinc/14/35/33/219143533.db2.gz	LXAQGNNSRKLTLE-KDZIKLRDSA-N	1	1	347.411	2.311	1	0		EEAFMO
CC(C)Cn1c2ccccc2nc1CN1CC[N@@H+](C)[C@H](CCO)C1	ZINC000036379976	213091987	/nfs/dbraw/zinc/09/19/87/213091987.db2.gz	VVMOPJSIDOESHF-MRXNPFEDSA-N	1	1	330.476	2.191	3	0		EEAFMO
COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@H+]2C[C@@H](C(C)=O)[C@H]1C[C@@H]23	ZINC000049802403	214033248	/nfs/dbraw/zinc/03/32/48/214033248.db2.gz	DHAOEWPYRANXCZ-LROULRCXSA-N	1	1	338.407	2.090	1	0		EEAFMO
Oc1ccc2c(c1)CC[N@H+]([C@H]1CO[C@H](c3ccccc3)OC1)C[C@H]2O	ZINC000101376889	219124978	/nfs/dbraw/zinc/12/49/78/219124978.db2.gz	DKUNGJZSUMCVMS-AHRSYUTCSA-N	1	1	341.407	2.398	1	0		EEAFMO
Oc1ccc2c(c1)CC[N@@H+]([C@H]1CO[C@H](c3ccccc3)OC1)C[C@H]2O	ZINC000101376889	219124980	/nfs/dbraw/zinc/12/49/80/219124980.db2.gz	DKUNGJZSUMCVMS-AHRSYUTCSA-N	1	1	341.407	2.398	1	0		EEAFMO
COc1ccc2c(c1)sc1c2nc(N)nc1N1CC[NH+](C)CC1	ZINC000073196044	216361886	/nfs/dbraw/zinc/36/18/86/216361886.db2.gz	LNOHQKPOCBJPMP-UHFFFAOYSA-N	1	1	329.429	2.187	1	0		EEAFMO
OCC[NH+]1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1	ZINC000022925253	212336824	/nfs/dbraw/zinc/33/68/24/212336824.db2.gz	YHNPEPCGBKSLOS-MRXNPFEDSA-N	1	1	347.459	2.443	1	0		EEAFMO
COCc1ncc(C[N@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1	ZINC000067742405	215200728	/nfs/dbraw/zinc/20/07/28/215200728.db2.gz	OZVDBWXVJKOPFU-AZUAARDMSA-N	1	1	341.455	2.439	1	0		EEAFMO
CC1=NN(c2ccccc2)[C@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12	ZINC000073199549	216363423	/nfs/dbraw/zinc/36/34/23/216363423.db2.gz	BIFOHDNJLUSULU-GOSISDBHSA-N	1	1	331.383	2.482	1	0		EEAFMO
COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N@H+]3C[C@@H]2O	ZINC000085730798	560066852	/nfs/dbraw/zinc/06/68/52/560066852.db2.gz	QWWCVLZNFFVFTR-IYJAJMOOSA-N	1	1	329.396	2.163	1	0	biogenic,in-vitro	EEAFMO
C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CC[N@H+]2C[C@@H]1CCCO1	ZINC000040873138	213395639	/nfs/dbraw/zinc/39/56/39/213395639.db2.gz	OWRBBFHZDDJXIW-BPODSCFKSA-N	1	1	328.456	2.489	1	0		EEAFMO
CC(C)[N@H+]1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1CCO	ZINC000022932852	212336298	/nfs/dbraw/zinc/33/62/98/212336298.db2.gz	NOWUGUFGOPPHSG-AWEZNQCLSA-N	1	1	340.851	2.346	3	0		EEAFMO
COc1cc(C)nc2c(OC)cc(Cc3c[nH+]c(N)nc3N)cc12	ZINC000029561284	212672961	/nfs/dbraw/zinc/67/29/61/212672961.db2.gz	LLBXUDUWEWTJRQ-UHFFFAOYSA-N	1	1	325.372	2.106	1	0		EEAFMO
Cn1cc(C[N@@H+](C)CCCN2CCOCC2)c(-c2ccccc2F)n1	ZINC000096431885	679889943	/nfs/dbraw/zinc/88/99/43/679889943.db2.gz	DJOASIDIFGROAX-UHFFFAOYSA-N	1	1	346.450	2.380	3	0		EEAFMO
Cc1cc2c(N)nc(N)[nH+]c2cc1-c1ccc(S(C)(=O)=O)cc1	ZINC000072118179	216012910	/nfs/dbraw/zinc/01/29/10/216012910.db2.gz	HFWXNEFGEGPRCI-UHFFFAOYSA-N	1	1	328.397	2.173	1	0		EEAFMO