smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CC[N@H+]1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21	ZINC000003953083	204116652	/nfs/dbraw/zinc/11/66/52/204116652.db2.gz	XZYWRBPKJXHPIN-QZTJIDSGSA-N	1	1	374.550	3.971	1	0		FHAFMO
CC(C)CC[N@H+]1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1	ZINC000028825036	204889448	/nfs/dbraw/zinc/88/94/48/204889448.db2.gz	FYVOABSNOLJXJQ-UHFFFAOYSA-N	1	1	353.466	3.767	1	0		FHAFMO
COc1ccc2c(c1)[C@]13CC[N@@H+](CC4CCC4)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3	ZINC000029216144	204896595	/nfs/dbraw/zinc/89/65/95/204896595.db2.gz	JKRWGJJCQQNKLV-MMWSRIRUSA-N	1	1	353.506	3.979	1	0		FHAFMO
CN(c1ccc2nc(-c3n[nH]c4ccccc43)[nH]c2c1)C1CC[NH+](C)CC1	ZINC000036176903	205007380	/nfs/dbraw/zinc/00/73/80/205007380.db2.gz	AEXAYHMFAIXNSU-UHFFFAOYSA-N	1	1	360.465	3.637	1	0		FHAFMO
COc1ccc(C[N@@H+]2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1	ZINC000040425357	205070706	/nfs/dbraw/zinc/07/07/06/205070706.db2.gz	XCLFRXFWVWXROF-JOCHJYFZSA-N	1	1	353.462	3.984	1	0		FHAFMO
COc1ccc(C[N@H+]2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1	ZINC000040425357	205070710	/nfs/dbraw/zinc/07/07/10/205070710.db2.gz	XCLFRXFWVWXROF-JOCHJYFZSA-N	1	1	353.462	3.984	1	0		FHAFMO
C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1	ZINC000049089386	205168394	/nfs/dbraw/zinc/16/83/94/205168394.db2.gz	PZVTWWKRIHYSCB-KBPBESRZSA-N	1	1	373.382	3.536	1	0		FHAFMO
C[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc32)CC1	ZINC000061927315	205289619	/nfs/dbraw/zinc/28/96/19/205289619.db2.gz	WEGVNEBWPZMPBP-UHFFFAOYSA-N	1	1	356.372	3.766	3	0		FHAFMO
[NH3+]CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1	ZINC000066097855	205364501	/nfs/dbraw/zinc/36/45/01/205364501.db2.gz	FBJGCUBGHZNZIT-UHFFFAOYSA-N	1	1	353.466	3.715	1	0		FHAFMO
C[NH+]1CCN(c2nc3ccc(Cl)cc3nc2OCc2ccccc2)CC1	ZINC000040860732	136120482	/nfs/dbraw/zinc/12/04/82/136120482.db2.gz	CNRAIALELQBKRS-UHFFFAOYSA-N	1	1	368.868	3.614	1	0		FHAFMO
C[NH+]1CCN(C(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)CC1	ZINC000034870139	204981724	/nfs/dbraw/zinc/98/17/24/204981724.db2.gz	SKMZMWOBFYLZIH-UHFFFAOYSA-N	1	1	373.909	3.797	1	0		FHAFMO
CCC1C(=O)[n+]2ccsc2N(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000040554742	205071821	/nfs/dbraw/zinc/07/18/21/205071821.db2.gz	BGZULEMVJLVKNZ-GOSISDBHSA-N	1	1	363.462	3.835	1	0		FHAFMO
O=C(Cc1ccccc1)N[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1	ZINC000045191327	205117460	/nfs/dbraw/zinc/11/74/60/205117460.db2.gz	SKPDMKAGVITLSE-QGZVFWFLSA-N	1	1	365.864	3.826	1	0		FHAFMO
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(SC)cc1)[N@H+]2CCCF	ZINC000045290732	205119403	/nfs/dbraw/zinc/11/94/03/205119403.db2.gz	GBDCEJWZYYZILX-BGTYHANMSA-N	1	1	351.487	3.878	1	0		FHAFMO
C[C@H]1CCC[N@H+]1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O	ZINC000059114026	205279804	/nfs/dbraw/zinc/27/98/04/205279804.db2.gz	PESOUNLSPHQJGL-INIZCTEOSA-N	1	1	352.453	3.975	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@H](C[NH+]1Cc1ccccc1F)[C@@H]23	ZINC000169333609	206252101	/nfs/dbraw/zinc/25/21/01/206252101.db2.gz	RAMXBPYKMDFNSS-DBQGFPOUSA-N	1	1	374.500	3.755	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@@H+]1Cc1ccccc1F)[C@@H]23	ZINC000169333609	206252104	/nfs/dbraw/zinc/25/21/04/206252104.db2.gz	RAMXBPYKMDFNSS-DBQGFPOUSA-N	1	1	374.500	3.755	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@H+]1Cc1ccccc1F)[C@@H]23	ZINC000169333609	206252106	/nfs/dbraw/zinc/25/21/06/206252106.db2.gz	RAMXBPYKMDFNSS-DBQGFPOUSA-N	1	1	374.500	3.755	1	0		FHAFMO
COc1cccc(NC(=O)Oc2ccc3c(c2)C[N@H+]2CCC[C@H]2N3C)c1	ZINC000169294341	132261350	/nfs/dbraw/zinc/26/13/50/132261350.db2.gz	NVDKATMGTBTTNE-IBGZPJMESA-N	1	1	353.422	3.678	1	0		FHAFMO
COc1cccc(NC(=O)Oc2ccc3c(c2)C[N@@H+]2CCC[C@H]2N3C)c1	ZINC000169294341	132261351	/nfs/dbraw/zinc/26/13/51/132261351.db2.gz	NVDKATMGTBTTNE-IBGZPJMESA-N	1	1	353.422	3.678	1	0		FHAFMO
C[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1	ZINC000004564896	204147773	/nfs/dbraw/zinc/14/77/73/204147773.db2.gz	XEGOBYSRTDSXFT-YWZLYKJASA-N	1	1	352.434	3.827	3	0		FHAFMO
Cc1nc2ccccc2c2oc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc21	ZINC000004902798	204174106	/nfs/dbraw/zinc/17/41/06/204174106.db2.gz	UTJCXGBYVFOGTA-CQSZACIVSA-N	1	1	351.450	3.894	3	0		FHAFMO
CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1	ZINC000004940316	204178656	/nfs/dbraw/zinc/17/86/56/204178656.db2.gz	ZUJAQNXITNYJQA-HNNXBMFYSA-N	1	1	371.912	3.981	1	0		FHAFMO
COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@@H+](C)C1	ZINC000040374589	205067617	/nfs/dbraw/zinc/06/76/17/205067617.db2.gz	ISVOYYWZUYYPHT-QSFXBCCZSA-N	1	1	352.478	3.889	1	0		FHAFMO
COc1cccc(C[N@@H+]2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)c1	ZINC000040859884	205083382	/nfs/dbraw/zinc/08/33/82/205083382.db2.gz	WDOCEXZDZODFFC-JOCHJYFZSA-N	1	1	353.462	3.984	1	0		FHAFMO
COc1cccc(C[N@H+]2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)c1	ZINC000040859884	205083387	/nfs/dbraw/zinc/08/33/87/205083387.db2.gz	WDOCEXZDZODFFC-JOCHJYFZSA-N	1	1	353.462	3.984	1	0		FHAFMO
CC[NH+]1CCN(C(=O)c2cc(Nc3ccccc3)nc3ccccc32)CC1	ZINC000058095083	205249336	/nfs/dbraw/zinc/24/93/36/205249336.db2.gz	MLSHSPMWUJHRMD-UHFFFAOYSA-N	1	1	360.461	3.756	1	0		FHAFMO
COc1ccc(-c2coc3c2cccc3C(=O)N2CC[NH+](C)CC2)c(C)c1	ZINC000061898571	205288327	/nfs/dbraw/zinc/28/83/27/205288327.db2.gz	VGJDOXVXJMVYMH-UHFFFAOYSA-N	1	1	364.445	3.804	3	0		FHAFMO
Cc1noc(C)c1C(=O)Nc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)cc1	ZINC000059263170	205280213	/nfs/dbraw/zinc/28/02/13/205280213.db2.gz	QRBMQEJZPMHHQG-LIRRHRJNSA-N	1	1	368.481	3.607	1	0		FHAFMO
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@@H+](C)C1	ZINC000169312743	206250646	/nfs/dbraw/zinc/25/06/46/206250646.db2.gz	ISVOYYWZUYYPHT-CVAIRZPRSA-N	1	1	352.478	3.889	1	0		FHAFMO
Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ccc(F)cc4)CC[N@H+]3C2)cc1	ZINC000053275877	136124877	/nfs/dbraw/zinc/12/48/77/136124877.db2.gz	YBGMRLZOHGQJTB-UZLBHIALSA-N	1	1	358.432	3.944	1	0		FHAFMO
C[NH+]1CCN(c2cc3[nH]c(SCc4ccc(F)cc4)nc3cc2F)CC1	ZINC000029048693	136153636	/nfs/dbraw/zinc/15/36/36/136153636.db2.gz	NPSUGZFKWNMBHA-UHFFFAOYSA-N	1	1	374.460	3.885	1	0		FHAFMO
COc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](C)CC3)cc1C(F)(F)F	ZINC000002005397	204023915	/nfs/dbraw/zinc/02/39/15/204023915.db2.gz	HSAUNWQVISCPTB-UHFFFAOYSA-N	1	1	364.367	3.954	1	0		FHAFMO
CCCC[N@@H+](CCNC(=O)NCc1noc2ccccc21)Cc1ccco1	ZINC000006860026	204277627	/nfs/dbraw/zinc/27/76/27/204277627.db2.gz	HPHVXFNEBOEEPP-UHFFFAOYSA-N	1	1	370.453	3.522	1	0		FHAFMO
CC[N@@H+](C)CCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c21	ZINC000039829612	205047872	/nfs/dbraw/zinc/04/78/72/205047872.db2.gz	FWMIXTKPPHIFDD-UHFFFAOYSA-N	1	1	356.491	3.885	1	0	in-vitro	FHAFMO
C[C@H]1CCc2nc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1	ZINC000040412889	205070667	/nfs/dbraw/zinc/07/06/67/205070667.db2.gz	FHITVFDYWLZSRT-KRWDZBQOSA-N	1	1	363.505	3.617	1	0		FHAFMO
CCCCCCS(=O)(=O)c1cc(C)c(C(=O)CC[NH+](C)C)c(C)c1	ZINC000043071599	205099260	/nfs/dbraw/zinc/09/92/60/205099260.db2.gz	SRXBBERHRSYYGM-UHFFFAOYSA-N	1	1	353.528	3.792	1	0		FHAFMO
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1	ZINC000043074790	205100044	/nfs/dbraw/zinc/10/00/44/205100044.db2.gz	QOQUTGPQLQCUSD-UHFFFAOYSA-N	1	1	359.832	3.737	1	0		FHAFMO
CC(C)[N@H+]1CCC[C@H](c2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)C1	ZINC000049070863	205168426	/nfs/dbraw/zinc/16/84/26/205168426.db2.gz	QTONZRQJLGKQRC-KRWDZBQOSA-N	1	1	362.477	3.917	1	0		FHAFMO
CC(C)[N@@H+]1CCC[C@H](c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)C1	ZINC000049070863	205168429	/nfs/dbraw/zinc/16/84/29/205168429.db2.gz	QTONZRQJLGKQRC-KRWDZBQOSA-N	1	1	362.477	3.917	1	0		FHAFMO
CC(C)[N@H+]1CCC[C@H](c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)C1	ZINC000049070863	205168434	/nfs/dbraw/zinc/16/84/34/205168434.db2.gz	QTONZRQJLGKQRC-KRWDZBQOSA-N	1	1	362.477	3.917	1	0		FHAFMO
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCCC[C@@H]12	ZINC000169350240	206253560	/nfs/dbraw/zinc/25/35/60/206253560.db2.gz	TYJSHDWVKFXKBY-UXHICEINSA-N	1	1	351.494	3.643	1	0		FHAFMO
CCNc1ccc[nH+]c1N1CCN(C(=O)c2ccc3ccccc3c2)CC1	ZINC000006385414	535526603	/nfs/dbraw/zinc/52/66/03/535526603.db2.gz	ANIUBUJDCACIOW-UHFFFAOYSA-N	1	1	360.461	3.629	1	0		FHAFMO
C[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1	ZINC000004564895	204148327	/nfs/dbraw/zinc/14/83/27/204148327.db2.gz	XEGOBYSRTDSXFT-QRWLVFNGSA-N	1	1	352.434	3.827	3	0		FHAFMO
CCCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)c(OC)c1)C2	ZINC000004356499	204135346	/nfs/dbraw/zinc/13/53/46/204135346.db2.gz	MBUKBAGZJPOJON-AYHJJNSGSA-N	1	1	360.498	3.619	1	0		FHAFMO
CC(C)COc1cccc(-c2nc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c1O	ZINC000005882031	204228270	/nfs/dbraw/zinc/22/82/70/204228270.db2.gz	RTSLVPMQUZXPBZ-UHFFFAOYSA-N	1	1	358.829	3.908	1	0	in-vivo	FHAFMO
CC[N@@H+]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2	ZINC000038696264	205041326	/nfs/dbraw/zinc/04/13/26/205041326.db2.gz	TXCJYBYVNMEZBY-HNNXBMFYSA-N	1	1	353.418	3.575	1	0		FHAFMO
CC[N@H+]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2	ZINC000038696264	205041331	/nfs/dbraw/zinc/04/13/31/205041331.db2.gz	TXCJYBYVNMEZBY-HNNXBMFYSA-N	1	1	353.418	3.575	1	0		FHAFMO
COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2[N@@H+](C)C1	ZINC000040374585	205068388	/nfs/dbraw/zinc/06/83/88/205068388.db2.gz	ISVOYYWZUYYPHT-BPAFIMBUSA-N	1	1	352.478	3.889	1	0		FHAFMO
CC[N@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@H]12	ZINC000013453892	581095510	/nfs/dbraw/zinc/09/55/10/581095510.db2.gz	PVMNTYXKDFRXKP-UNMCSNQZSA-N	1	1	350.462	3.883	1	0		FHAFMO
NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1	ZINC000101048695	581101544	/nfs/dbraw/zinc/10/15/44/581101544.db2.gz	LMPLONXZQILWNS-UHFFFAOYSA-N	1	1	358.401	3.722	1	0		FHAFMO
Cn1cccc1C(=O)N1CCC2(CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000003956379	204117225	/nfs/dbraw/zinc/11/72/25/204117225.db2.gz	OCNRLXBEBVUSMS-UHFFFAOYSA-N	1	1	351.494	3.544	1	0		FHAFMO
Cc1[nH+]c2c(NCc3c(C)cccc3C)cc(N3CCNC3=O)cn2c1C	ZINC000040424681	205070229	/nfs/dbraw/zinc/07/02/29/205070229.db2.gz	KOHDMWKBUVOITI-UHFFFAOYSA-N	1	1	363.465	3.710	1	0		FHAFMO
C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1	ZINC000043204919	205101078	/nfs/dbraw/zinc/10/10/78/205101078.db2.gz	PYUCVLVRHYGSER-YLJYHZDGSA-N	1	1	356.514	3.767	1	0		FHAFMO
OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](C[N@@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333634	206251908	/nfs/dbraw/zinc/25/19/08/206251908.db2.gz	ITSRLYKHJPKWRD-NMIHRBCNSA-N	1	1	360.517	3.663	1	0		FHAFMO
OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](C[N@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333634	206251913	/nfs/dbraw/zinc/25/19/13/206251913.db2.gz	ITSRLYKHJPKWRD-NMIHRBCNSA-N	1	1	360.517	3.663	1	0		FHAFMO
FC(F)(F)c1cccc(N2CC[NH+](CCc3ccc4nc[nH]c4c3)CC2)c1	ZINC000038544489	136118886	/nfs/dbraw/zinc/11/88/86/136118886.db2.gz	NTHRQJJWSIUTOE-UHFFFAOYSA-N	1	1	374.410	3.946	1	0		FHAFMO
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O	ZINC000013444381	581093972	/nfs/dbraw/zinc/09/39/72/581093972.db2.gz	VHCWDBADFMDZND-QFYYESIMSA-N	1	1	368.412	3.926	1	0		FHAFMO
Cc1noc(C)c1C(=O)N1CCC2(CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000004238051	204129078	/nfs/dbraw/zinc/12/90/78/204129078.db2.gz	GQGFUTGKSKXFTG-UHFFFAOYSA-N	1	1	367.493	3.810	1	0		FHAFMO
CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3	ZINC000036221675	205008397	/nfs/dbraw/zinc/00/83/97/205008397.db2.gz	SGHKXPYOPVKZJP-CZTZKLFOSA-N	1	1	354.494	3.873	1	0	in-vivo	FHAFMO
O=C(Cc1ccccc1)N[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1	ZINC000045191329	205117550	/nfs/dbraw/zinc/11/75/50/205117550.db2.gz	SKPDMKAGVITLSE-KRWDZBQOSA-N	1	1	365.864	3.826	1	0		FHAFMO
CCOC(C(=O)OC[C@@H]1CCC[N@@H+](C)C1)(c1ccccc1)c1ccccc1	ZINC000045231108	205119639	/nfs/dbraw/zinc/11/96/39/205119639.db2.gz	XATPSNKTMXPJNE-LJQANCHMSA-N	1	1	367.489	3.852	1	0		FHAFMO
Cc1c(C[NH+]2CCN(C(=O)Nc3ccccn3)CC2)sc2ccccc12	ZINC000043021960	205100203	/nfs/dbraw/zinc/10/02/03/205100203.db2.gz	XEXBQWZFVIPKOI-UHFFFAOYSA-N	1	1	366.490	3.954	1	0		FHAFMO
C[N@H+]1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1	ZINC000049089194	205168676	/nfs/dbraw/zinc/16/86/76/205168676.db2.gz	VXDULNMFVNRQBT-KBPBESRZSA-N	1	1	373.382	3.536	1	0		FHAFMO
CC(C)[C@H](c1ccccn1)N(CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066078203	205362003	/nfs/dbraw/zinc/36/20/03/205362003.db2.gz	VTRPJUPDZLHKFJ-OAQYLSRUSA-N	1	1	351.498	3.896	1	0		FHAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(C2=NN(C)C(=O)[C@H]3CCC[C@@H]23)cc1	ZINC000169351788	206253895	/nfs/dbraw/zinc/25/38/95/206253895.db2.gz	GKEPUTPZCYQUOQ-AHRSYUTCSA-N	1	1	369.509	3.532	1	0		FHAFMO
Cc1ccc(C)c(N2CC[NH+]([C@H](C(=O)NC3CCCC3)C(C)C)CC2)c1	ZINC000095601702	132215857	/nfs/dbraw/zinc/21/58/57/132215857.db2.gz	DJYKRZORDGBNOS-NRFANRHFSA-N	1	1	357.542	3.509	3	0		FHAFMO
O=C(Oc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1	ZINC000004237942	204128739	/nfs/dbraw/zinc/12/87/39/204128739.db2.gz	VTBDTIPPCXUWQW-IBGZPJMESA-N	1	1	357.479	3.630	1	0		FHAFMO
O=C(Oc1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1	ZINC000004237942	204128743	/nfs/dbraw/zinc/12/87/43/204128743.db2.gz	VTBDTIPPCXUWQW-IBGZPJMESA-N	1	1	357.479	3.630	1	0		FHAFMO
C[NH+]1CCN(C[C@@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1	ZINC000022442363	204777966	/nfs/dbraw/zinc/77/79/66/204777966.db2.gz	LGRZVDOIDOOMRO-SFHVURJKSA-N	1	1	370.459	3.732	1	0	in-vitro	FHAFMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1c2ccccc2OCc2ncccc21	ZINC000040514680	205071241	/nfs/dbraw/zinc/07/12/41/205071241.db2.gz	ATMKCXWXGQDJKI-JKSBSHDWSA-N	1	1	351.494	3.916	1	0		FHAFMO
CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@@H]1CCC[N@H+]1CC	ZINC000045321406	205120156	/nfs/dbraw/zinc/12/01/56/205120156.db2.gz	JDTWWYUMTZWCLP-HNNXBMFYSA-N	1	1	371.481	3.706	1	0		FHAFMO
Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccoc1	ZINC000043204904	205101335	/nfs/dbraw/zinc/10/13/35/205101335.db2.gz	AHORHYFCKLAFIO-LPHOPBHVSA-N	1	1	353.466	3.903	1	0		FHAFMO
CCC[N@H+]1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049069268	205169496	/nfs/dbraw/zinc/16/94/96/205169496.db2.gz	AVVYPTYKGGWLGP-HNNXBMFYSA-N	1	1	358.507	3.571	1	0		FHAFMO
COc1cc2c(cc1OC)[C@H]1C[C@H](NCCF)[C@H](CC(C)C)C[N@@H+]1CC2	ZINC000058480574	205275901	/nfs/dbraw/zinc/27/59/01/205275901.db2.gz	YMERYCTWSIREBR-NZSAHSFTSA-N	1	1	364.505	3.597	1	0		FHAFMO
COc1cc2c(cc1OC)[C@H]1C[C@H](NCCF)[C@H](CC(C)C)C[N@H+]1CC2	ZINC000058480574	205275904	/nfs/dbraw/zinc/27/59/04/205275904.db2.gz	YMERYCTWSIREBR-NZSAHSFTSA-N	1	1	364.505	3.597	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@H](C[NH+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333610	206252335	/nfs/dbraw/zinc/25/23/35/206252335.db2.gz	KBQRSCLEPBFVGC-RQGSJKACSA-N	1	1	374.500	3.755	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333610	206252337	/nfs/dbraw/zinc/25/23/37/206252337.db2.gz	KBQRSCLEPBFVGC-RQGSJKACSA-N	1	1	374.500	3.755	1	0		FHAFMO
O=C([O-])CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@H](C[N@H+]1Cc1cccc(F)c1)[C@@H]23	ZINC000169333610	206252341	/nfs/dbraw/zinc/25/23/41/206252341.db2.gz	KBQRSCLEPBFVGC-RQGSJKACSA-N	1	1	374.500	3.755	1	0		FHAFMO
COc1cccc(NC(=O)Oc2ccc3c(c2)C[N@H+]2CCC[C@@H]2N3C)c1	ZINC000095571955	132215542	/nfs/dbraw/zinc/21/55/42/132215542.db2.gz	NVDKATMGTBTTNE-LJQANCHMSA-N	1	1	353.422	3.678	1	0		FHAFMO
COc1cccc(NC(=O)Oc2ccc3c(c2)C[N@@H+]2CCC[C@@H]2N3C)c1	ZINC000095571955	132215543	/nfs/dbraw/zinc/21/55/43/132215543.db2.gz	NVDKATMGTBTTNE-LJQANCHMSA-N	1	1	353.422	3.678	1	0		FHAFMO
Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1C(N)=O	ZINC000101363780	209225338	/nfs/dbraw/zinc/22/53/38/209225338.db2.gz	MCFXYDVDYPKNHH-BWTSREIZSA-N	1	1	350.462	3.668	1	0		FHAFMO
CCc1c(O)c(=O)ccn1CCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000096917813	209161639	/nfs/dbraw/zinc/16/16/39/209161639.db2.gz	INUFIOHMHABZLF-UHFFFAOYSA-N	1	1	357.841	3.820	1	0		FHAFMO
C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2	ZINC000011711634	207320320	/nfs/dbraw/zinc/32/03/20/207320320.db2.gz	AMOFWXXTBJPKPC-HVRLMCRZSA-N	1	1	358.526	3.958	1	0		FHAFMO
CCCCC[C@H]1C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@H+]3C)[C@@H](O5)C1=O	ZINC000040670881	208261662	/nfs/dbraw/zinc/26/16/62/208261662.db2.gz	OMZWQYNMKBPQOL-RIWFRRHWSA-N	1	1	369.505	3.740	1	0		FHAFMO
CC[N@@H+]1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3	ZINC000095586194	209082286	/nfs/dbraw/zinc/08/22/86/209082286.db2.gz	VHZDKWQFOJPTGT-HNNXBMFYSA-N	1	1	355.434	3.560	1	0		FHAFMO
CC[N@H+]1CCc2cc(OC)c(O)c3c2[C@@H]1Cc1cc(OC)c(OC)cc1-3	ZINC000095586194	209082289	/nfs/dbraw/zinc/08/22/89/209082289.db2.gz	VHZDKWQFOJPTGT-HNNXBMFYSA-N	1	1	355.434	3.560	1	0		FHAFMO
Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2	ZINC000101366362	209224957	/nfs/dbraw/zinc/22/49/57/209224957.db2.gz	IQNJFMKUOZAASF-CEQLMSFQSA-N	1	1	350.462	3.668	1	0		FHAFMO
Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CNOC1	ZINC000008582025	207236147	/nfs/dbraw/zinc/23/61/47/207236147.db2.gz	FZLOALBUJDUYTI-HNNXBMFYSA-N	1	1	373.416	3.549	1	0		FHAFMO
COc1ccc2c(c1)[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@@H]1[C@@H](C)[C@H](C)C(=O)C3	ZINC000029216570	207984610	/nfs/dbraw/zinc/98/46/10/207984610.db2.gz	QKEMXTZZPULBCH-SBGJMSNXSA-N	1	1	353.506	3.835	1	0		FHAFMO
C[N@H+]1CC(=Cc2cccs2)C2=NC(=S)N[C@H](c3cccs3)[C@@H]2C1	ZINC000034073491	208102568	/nfs/dbraw/zinc/10/25/68/208102568.db2.gz	FMDRPUQOKDUQEP-HDEOUBMNSA-N	1	1	359.545	3.825	1	0		FHAFMO
C[N@@H+]1CC(=Cc2cccs2)C2=NC(=S)N[C@H](c3cccs3)[C@@H]2C1	ZINC000034073491	208102571	/nfs/dbraw/zinc/10/25/71/208102571.db2.gz	FMDRPUQOKDUQEP-HDEOUBMNSA-N	1	1	359.545	3.825	1	0		FHAFMO
C[NH+](C)C1CSC(C(=O)c2ccccc2)(C(=O)c2ccccc2)SC1	ZINC000034069491	208103026	/nfs/dbraw/zinc/10/30/26/208103026.db2.gz	CLYHYWMWZOPDJC-UHFFFAOYSA-N	1	1	371.527	3.859	1	0		FHAFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]2CO	ZINC000034891958	208113374	/nfs/dbraw/zinc/11/33/74/208113374.db2.gz	DHPAYGMVHAIWBY-BQJUDKOJSA-N	1	1	373.443	3.914	1	0		FHAFMO
C[C@H]1C[N@H+]2C[C@@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075246	208120216	/nfs/dbraw/zinc/12/02/16/208120216.db2.gz	FYKCIOAYMLTGHC-UOAUAQBLSA-N	1	1	350.506	3.575	1	0		FHAFMO
C[C@H]1CN2C[C@@H](Cc3ccccc3)[NH2+]C[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075246	208120218	/nfs/dbraw/zinc/12/02/18/208120218.db2.gz	FYKCIOAYMLTGHC-UOAUAQBLSA-N	1	1	350.506	3.575	1	0		FHAFMO
O[C@@]1(c2ccc(-c3nc4ccccc4s3)cc2)C[N@@H+]2CCCC[C@@H]2CO1	ZINC000040951704	208276513	/nfs/dbraw/zinc/27/65/13/208276513.db2.gz	ZTONOAATDZXAON-UTKZUKDTSA-N	1	1	366.486	3.993	1	0	in-vitro	FHAFMO
O[C@@]1(c2ccc(-c3nc4ccccc4s3)cc2)C[N@H+]2CCCC[C@@H]2CO1	ZINC000040951704	208276519	/nfs/dbraw/zinc/27/65/19/208276519.db2.gz	ZTONOAATDZXAON-UTKZUKDTSA-N	1	1	366.486	3.993	1	0	in-vitro	FHAFMO
C[N@H+]1CCc2cc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3cc2CC1	ZINC000040402866	208250512	/nfs/dbraw/zinc/25/05/12/208250512.db2.gz	AKBRLFXEFQHICT-UHFFFAOYSA-N	1	1	374.893	3.562	1	0		FHAFMO
CCOC(=O)c1cnc2ccc(OCC)cc2c1NC[C@H]1CCC[N@H+]1CC	ZINC000045321402	208330125	/nfs/dbraw/zinc/33/01/25/208330125.db2.gz	JDTWWYUMTZWCLP-OAHLLOKOSA-N	1	1	371.481	3.706	1	0		FHAFMO
Nc1[nH]c2c(ccnc2-c2cc(Cc3ccccc3)c(Br)[nH]2)[nH+]1	ZINC000045302235	208330184	/nfs/dbraw/zinc/33/01/84/208330184.db2.gz	XHWBZAYNHPMGGO-UHFFFAOYSA-N	1	1	368.238	3.889	1	0		FHAFMO
Nc1[nH]c2c(ccnc2-c2cc(-c3ccccc3)c(Br)[nH]2)[nH+]1	ZINC000045262057	208330446	/nfs/dbraw/zinc/33/04/46/208330446.db2.gz	RAXLQYNMWRTECE-UHFFFAOYSA-N	1	1	354.211	3.965	1	0		FHAFMO
CCC[N@H+]1CCc2cc3sc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1	ZINC000045347393	208332540	/nfs/dbraw/zinc/33/25/40/208332540.db2.gz	DUOFEVDVQQKFMG-FQEVSTJZSA-N	1	1	368.502	3.966	1	0		FHAFMO
CCCCOc1ccc([C@](O)(CC[NH+]2CCOCC2)c2ccccc2)cc1	ZINC000019855772	520898775	/nfs/dbraw/zinc/89/87/75/520898775.db2.gz	LTDLMDRADXKBIO-QHCPKHFHSA-N	1	1	369.505	3.824	3	0		FHAFMO
Cc1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1	ZINC000096900124	209160703	/nfs/dbraw/zinc/16/07/03/209160703.db2.gz	CCTPGUQMKQKYAJ-DNQXCXABSA-N	1	1	364.533	3.810	1	0		FHAFMO
Cc1ccccc1C[N@H+]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1	ZINC000096900124	209160705	/nfs/dbraw/zinc/16/07/05/209160705.db2.gz	CCTPGUQMKQKYAJ-DNQXCXABSA-N	1	1	364.533	3.810	1	0		FHAFMO
CO[C@@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1C[N@H+]2Cc1ccccc1	ZINC000096318626	209150689	/nfs/dbraw/zinc/15/06/89/209150689.db2.gz	WYUPWHUGPAKEOJ-YTFSRNRJSA-N	1	1	350.506	3.593	1	0		FHAFMO
Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCC3)c2)cc1	ZINC000004231773	207008487	/nfs/dbraw/zinc/00/84/87/207008487.db2.gz	QYXVDSPFDUFEOL-UHFFFAOYSA-N	1	1	351.450	3.672	3	0		FHAFMO
Cc1nc2ccccc2c2oc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc21	ZINC000004902792	207059560	/nfs/dbraw/zinc/05/95/60/207059560.db2.gz	UTJCXGBYVFOGTA-AWEZNQCLSA-N	1	1	351.450	3.894	3	0		FHAFMO
CCCCCC(=O)NCCC[N@H+]1CCC[C@H]1CC(=O)c1c(C)cccc1O	ZINC000005820108	207117179	/nfs/dbraw/zinc/11/71/79/207117179.db2.gz	LZFMYZNYVOKFEE-SFHVURJKSA-N	1	1	374.525	3.824	1	0	in-vivo	FHAFMO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)[N@H+]3C)[C@@H]12	ZINC000028367265	207962591	/nfs/dbraw/zinc/96/25/91/207962591.db2.gz	MSKMNIYJSITCIE-XSWYFRFISA-N	1	1	363.542	3.614	1	0		FHAFMO
CC[C@@H](C)[N@H+](C[C@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC	ZINC000040933581	208274453	/nfs/dbraw/zinc/27/44/53/208274453.db2.gz	CMUQIECDLISBIR-SOLBZPMBSA-N	1	1	359.514	3.915	1	0		FHAFMO
C[NH2+]CC(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1	ZINC000045201943	208327057	/nfs/dbraw/zinc/32/70/57/208327057.db2.gz	NMBPQRBUHVFQLX-UHFFFAOYSA-N	1	1	356.857	3.995	1	0		FHAFMO
CCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1	ZINC000061898515	208599998	/nfs/dbraw/zinc/59/99/98/208599998.db2.gz	OBMIGJGMENFUSG-JOCHJYFZSA-N	1	1	351.494	3.877	3	0		FHAFMO
C[NH+]1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)cc2)CC1	ZINC000029053125	136153600	/nfs/dbraw/zinc/15/36/00/136153600.db2.gz	PYPZVKWBGYMJNM-UHFFFAOYSA-N	1	1	354.841	3.827	1	0		FHAFMO
Nc1cccc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1	ZINC000006101211	207129260	/nfs/dbraw/zinc/12/92/60/207129260.db2.gz	FVIZXTHHNZRGNE-QHCPKHFHSA-N	1	1	371.484	3.940	1	0		FHAFMO
CC[N@@H+](C)Cc1ccc(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040914509	208275138	/nfs/dbraw/zinc/27/51/38/208275138.db2.gz	LQLHQUVZQVHQBV-SFHVURJKSA-N	1	1	353.462	3.753	1	0		FHAFMO
OCc1cccc(C2=[NH+]CC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1	ZINC000040972541	208279093	/nfs/dbraw/zinc/27/90/93/208279093.db2.gz	HWNJFZICDNZALT-UHFFFAOYSA-N	1	1	364.395	3.751	1	0		FHAFMO
CC[C@@H]1CC(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13	ZINC000040663126	208260784	/nfs/dbraw/zinc/26/07/84/208260784.db2.gz	KRRDPQUROQJNSW-HKDUHGGJSA-N	1	1	353.506	3.979	1	0		FHAFMO
CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3[N@@H+](C)CC2)OCO4	ZINC000040876197	208272097	/nfs/dbraw/zinc/27/20/97/208272097.db2.gz	FGVJIXQZYKSQKY-HNNXBMFYSA-N	1	1	353.418	3.575	1	0		FHAFMO
CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3[N@H+](C)CC2)OCO4	ZINC000040876197	208272102	/nfs/dbraw/zinc/27/21/02/208272102.db2.gz	FGVJIXQZYKSQKY-HNNXBMFYSA-N	1	1	353.418	3.575	1	0		FHAFMO
C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H]1c1ccc(OCc2cccc(F)c2)cc1	ZINC000045191765	208328330	/nfs/dbraw/zinc/32/83/30/208328330.db2.gz	DCHBITHJABIYOA-MGPUTAFESA-N	1	1	356.441	3.806	1	0		FHAFMO
COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC3CCCCC3)C[N@H+]1CC2	ZINC000071331500	208762810	/nfs/dbraw/zinc/76/28/10/208762810.db2.gz	CRICLBURZAGDER-YSIASYRMSA-N	1	1	359.510	3.954	1	0		FHAFMO
Nc1nc(-n2cc(-c3cccnc3Cl)c3cnc(Cl)cc32)cc[nH+]1	ZINC000095605223	209084938	/nfs/dbraw/zinc/08/49/38/209084938.db2.gz	UNLYRICJXHKLFW-UHFFFAOYSA-N	1	1	357.204	3.767	1	0		FHAFMO
O=C(c1cccc(F)c1)N1CCC2(CCC[N@@H+](Cc3nccs3)C2)CC1	ZINC000004238179	207008460	/nfs/dbraw/zinc/00/84/60/207008460.db2.gz	NOKRKVHGRBJJJA-UHFFFAOYSA-N	1	1	373.497	3.801	1	0		FHAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccccc1)c1ccccc1)[N@H+]2C	ZINC000027205772	207927967	/nfs/dbraw/zinc/92/79/67/207927967.db2.gz	JHZOGWJGKSOSOG-WOZUAGRISA-N	1	1	365.473	3.817	1	0		FHAFMO
CCC(=O)N1c2ccccc2OC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@H]21	ZINC000036190573	208148769	/nfs/dbraw/zinc/14/87/69/208148769.db2.gz	XJZCYMONKQXDLC-VQTJNVASSA-N	1	1	364.489	3.755	1	0		FHAFMO
C/C=C1\[C@H]2C[C@@H](O[C@@H]1OC)n1c3ccc(O)cc3c3c1[C@H](C2)[N@H+](C)CC3	ZINC000040877940	208272741	/nfs/dbraw/zinc/27/27/41/208272741.db2.gz	GNHJRZWCDXRDDL-HSQPBGLJSA-N	1	1	354.450	3.734	1	0		FHAFMO
C/C=C1\[C@H]2C[C@@H](O[C@@H]1OC)n1c3ccc(O)cc3c3c1[C@H](C2)[N@@H+](C)CC3	ZINC000040877940	208272747	/nfs/dbraw/zinc/27/27/47/208272747.db2.gz	GNHJRZWCDXRDDL-HSQPBGLJSA-N	1	1	354.450	3.734	1	0		FHAFMO
Cc1c(C[NH+]2CCN(C(=O)Nc3cccnc3)CC2)sc2ccccc12	ZINC000043014966	208299390	/nfs/dbraw/zinc/29/93/90/208299390.db2.gz	BYSRXACITVZGHQ-UHFFFAOYSA-N	1	1	366.490	3.954	1	0		FHAFMO
CC(C)[N@@H+](CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O	ZINC000095560051	209080397	/nfs/dbraw/zinc/08/03/97/209080397.db2.gz	OGCSNFFNLCCVLC-UHFFFAOYSA-N	1	1	373.493	3.955	1	0		FHAFMO
CCC[N@@H+]1CCc2cc(OC)c(O)c3c2[C@H]1Cc1cc(OC)c(OC)cc1-3	ZINC000095588624	209084022	/nfs/dbraw/zinc/08/40/22/209084022.db2.gz	VOUFDSCQEPRICK-MRXNPFEDSA-N	1	1	369.461	3.950	1	0		FHAFMO
CCC[N@H+]1CCc2cc(OC)c(O)c3c2[C@H]1Cc1cc(OC)c(OC)cc1-3	ZINC000095588624	209084024	/nfs/dbraw/zinc/08/40/24/209084024.db2.gz	VOUFDSCQEPRICK-MRXNPFEDSA-N	1	1	369.461	3.950	1	0		FHAFMO
CC[N@@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1	ZINC000096282936	209150113	/nfs/dbraw/zinc/15/01/13/209150113.db2.gz	BCBPTKMBLADSLS-ZPBCLNFZSA-N	1	1	361.514	3.879	1	0		FHAFMO
C[N@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1	ZINC000006013424	207127057	/nfs/dbraw/zinc/12/70/57/207127057.db2.gz	GYFABGMYDPKBEU-AWEZNQCLSA-N	1	1	374.893	3.951	1	0		FHAFMO
C/C=C1\[C@H]2C[C@@H](O[C@H]1OC)n1c3ccc(O)cc3c3c1[C@H](C2)[N@H+](C)CC3	ZINC000040874165	208272060	/nfs/dbraw/zinc/27/20/60/208272060.db2.gz	GNHJRZWCDXRDDL-XWXSJHKHSA-N	1	1	354.450	3.734	1	0		FHAFMO
C/C=C1\[C@H]2C[C@@H](O[C@H]1OC)n1c3ccc(O)cc3c3c1[C@H](C2)[N@@H+](C)CC3	ZINC000040874165	208272063	/nfs/dbraw/zinc/27/20/63/208272063.db2.gz	GNHJRZWCDXRDDL-XWXSJHKHSA-N	1	1	354.450	3.734	1	0		FHAFMO
CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3[N@@H+](C)CC2)OCO4	ZINC000040877519	208272839	/nfs/dbraw/zinc/27/28/39/208272839.db2.gz	XZSQIFFQVQMLFK-MRXNPFEDSA-N	1	1	367.445	3.965	1	0		FHAFMO
CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3[N@H+](C)CC2)OCO4	ZINC000040877519	208272843	/nfs/dbraw/zinc/27/28/43/208272843.db2.gz	XZSQIFFQVQMLFK-MRXNPFEDSA-N	1	1	367.445	3.965	1	0		FHAFMO
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1	ZINC000043021975	208300808	/nfs/dbraw/zinc/30/08/08/208300808.db2.gz	DEPZVFJRGVKNJM-UHFFFAOYSA-N	1	1	359.832	3.737	1	0		FHAFMO
Fc1ccc(-c2[nH]cc(CCC[NH+]3CCNCC3)c2-c2ccncc2)cc1	ZINC000043012167	208301548	/nfs/dbraw/zinc/30/15/48/208301548.db2.gz	ALYGNJLYDRVUFC-UHFFFAOYSA-N	1	1	364.468	3.721	1	0		FHAFMO
C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CCCCC3)cc2)C1	ZINC000043204920	208301798	/nfs/dbraw/zinc/30/17/98/208301798.db2.gz	PYUCVLVRHYGSER-FXAWDEMLSA-N	1	1	356.514	3.767	1	0		FHAFMO
COc1cc2[nH+]c(-c3ccccc3)cc(N3CCN(C)CC3)c2c(OC)c1	ZINC000098083125	132232013	/nfs/dbraw/zinc/23/20/13/132232013.db2.gz	PLIQXFGTHSMWHJ-UHFFFAOYSA-N	1	1	363.461	3.671	1	0		FHAFMO
c1[nH]c2ccccc2c1[C@H]1ON=C(c2ccccc2)[C@@H]1C[NH+]1CCOCC1	ZINC000103287899	209251985	/nfs/dbraw/zinc/25/19/85/209251985.db2.gz	PDFYKKURFMOUES-SIKLNZKXSA-N	1	1	361.445	3.592	1	0		FHAFMO
CC[N@@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)C2C1	ZINC000096282937	209149727	/nfs/dbraw/zinc/14/97/27/209149727.db2.gz	BCBPTKMBLADSLS-ITICKHJUSA-N	1	1	361.514	3.879	1	0		FHAFMO
COc1cc2c(cc1OC)C[N@@H+](CCOc1ccc3ccccc3n1)CC2	ZINC000096272350	209148654	/nfs/dbraw/zinc/14/86/54/209148654.db2.gz	OBOOGPODPPLOFG-UHFFFAOYSA-N	1	1	364.445	3.689	1	0		FHAFMO
C[C@H]1C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075221	208116243	/nfs/dbraw/zinc/11/62/43/208116243.db2.gz	ITXRIFRTTPJIPH-XTQVGHSUSA-N	1	1	366.505	3.582	1	0		FHAFMO
CC[C@H]1CC(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13	ZINC000040373843	208249514	/nfs/dbraw/zinc/24/95/14/208249514.db2.gz	KRRDPQUROQJNSW-AZIXLERZSA-N	1	1	353.506	3.979	1	0		FHAFMO
C[C@@H]1CCc2nc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1	ZINC000040412885	208252824	/nfs/dbraw/zinc/25/28/24/208252824.db2.gz	FHITVFDYWLZSRT-QGZVFWFLSA-N	1	1	363.505	3.617	1	0		FHAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(SC)cc1)[N@H+]2CCCF	ZINC000045290735	208330217	/nfs/dbraw/zinc/33/02/17/208330217.db2.gz	GBDCEJWZYYZILX-HPBDAGMYSA-N	1	1	351.487	3.878	1	0		FHAFMO
Clc1ccc(N2CC[NH+](Cc3cnn4ccccc34)CC2)cc1Cl	ZINC000013862514	132871879	/nfs/dbraw/zinc/87/18/79/132871879.db2.gz	HRYDPQMCWYAUTL-UHFFFAOYSA-N	1	1	361.276	3.963	1	0		FHAFMO
Cc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@@H+](C)CCC2=O)cc1	ZINC000013830310	211061929	/nfs/dbraw/zinc/06/19/29/211061929.db2.gz	HPCVDNKMWCLBJS-HXUWFJFHSA-N	1	1	368.546	3.863	1	0		FHAFMO
Cc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@H+](C)CCC2=O)cc1	ZINC000013830310	211061932	/nfs/dbraw/zinc/06/19/32/211061932.db2.gz	HPCVDNKMWCLBJS-HXUWFJFHSA-N	1	1	368.546	3.863	1	0		FHAFMO
C[N@H+]1C[C@H](COC(=O)C2CCCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000013793935	211059640	/nfs/dbraw/zinc/05/96/40/211059640.db2.gz	LBMASRRMMMURHJ-JLTOFOAXSA-N	1	1	350.462	3.771	1	0		FHAFMO
C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21	ZINC000013451345	211033687	/nfs/dbraw/zinc/03/36/87/211033687.db2.gz	NZYFTXGDQKJVTP-VKJFTORMSA-N	1	1	362.901	3.973	1	0		FHAFMO
CO[C@H]1CC[C@H]2CN(CCc3ccccc3)[C@@H]1C[N@H+]2Cc1ccccc1	ZINC000096318627	222114585	/nfs/dbraw/zinc/11/45/85/222114585.db2.gz	WYUPWHUGPAKEOJ-ZRBLBEILSA-N	1	1	350.506	3.593	1	0		FHAFMO
c1sc(NC[C@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1-c1ccccn1	ZINC000101637697	222278946	/nfs/dbraw/zinc/27/89/46/222278946.db2.gz	UQSCBZYWISCZMJ-BCDXTJNWSA-N	1	1	362.502	3.995	1	0		FHAFMO
Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CNOC1	ZINC000008582024	581098462	/nfs/dbraw/zinc/09/84/62/581098462.db2.gz	FZLOALBUJDUYTI-OAHLLOKOSA-N	1	1	373.416	3.549	1	0		FHAFMO
COc1ccc(CC[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC	ZINC000005811653	210232027	/nfs/dbraw/zinc/23/20/27/210232027.db2.gz	AECKSTRRHRODOS-SFHVURJKSA-N	1	1	371.477	3.883	1	0		FHAFMO
NC(=O)c1cc(Cl)cc2nc(-c3ccc([C@H]4CCC[NH2+]C4)cc3F)[nH]c21	ZINC000063540118	212032383	/nfs/dbraw/zinc/03/23/83/212032383.db2.gz	UGHBIMSDMGHFIE-NSHDSACASA-N	1	1	372.831	3.588	1	0		FHAFMO
COCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000061927418	212028728	/nfs/dbraw/zinc/02/87/28/212028728.db2.gz	HWZZIQNXHGBEJF-QFIPXVFZSA-N	1	1	366.505	3.718	3	0		FHAFMO
CC[N@@H+](C)Cc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040914507	211763950	/nfs/dbraw/zinc/76/39/50/211763950.db2.gz	LQLHQUVZQVHQBV-GOSISDBHSA-N	1	1	353.462	3.753	1	0		FHAFMO
COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2	ZINC000022930445	211371571	/nfs/dbraw/zinc/37/15/71/211371571.db2.gz	KWLGTWNZMNKIRK-NRFANRHFSA-N	1	1	366.505	3.727	1	0		FHAFMO
CCC[N@@H+](C/C=C\I)[C@@H]1CCc2cccc(O)c2C1	ZINC000013719831	211052315	/nfs/dbraw/zinc/05/23/15/211052315.db2.gz	QBXHUZJZYDSLRH-RXTQTKKPSA-N	1	1	371.262	3.910	1	0	in-vitro	FHAFMO
O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1	ZINC000013593486	211042629	/nfs/dbraw/zinc/04/26/29/211042629.db2.gz	LOKCGQMABNKXKB-HNNXBMFYSA-N	1	1	355.825	3.971	3	0		FHAFMO
Cc1ccc(-c2cn3c(n2)c2c([nH]c3=O)CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000013492020	211035807	/nfs/dbraw/zinc/03/58/07/211035807.db2.gz	CFHGKTQPFHVLQX-UHFFFAOYSA-N	1	1	370.456	3.969	1	0		FHAFMO
Cc1ccc(-c2cn3c(n2)c2c([nH]c3=O)CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000013492020	211035811	/nfs/dbraw/zinc/03/58/11/211035811.db2.gz	CFHGKTQPFHVLQX-UHFFFAOYSA-N	1	1	370.456	3.969	1	0		FHAFMO
COC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1	ZINC000013475009	211035261	/nfs/dbraw/zinc/03/52/61/211035261.db2.gz	HADDGTXUFMJHIP-MOPGFXCFSA-N	1	1	359.853	3.824	1	0		FHAFMO
NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C2(c3ccccc3)CC2)c1	ZINC000101366425	222271239	/nfs/dbraw/zinc/27/12/39/222271239.db2.gz	DFAQDDJMQNABPJ-CEQLMSFQSA-N	1	1	362.473	3.849	1	0		FHAFMO
Nc1nc(N)c2cc(CN(N=O)c3ccc(Cl)c(Cl)c3)ccc2[nH+]1	ZINC000004772226	210228570	/nfs/dbraw/zinc/22/85/70/210228570.db2.gz	PVXUCJRLHRKXFJ-UHFFFAOYSA-N	1	1	363.208	3.789	1	0		FHAFMO
COCc1ccc(O)cc1CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1	ZINC000085486947	291076654	/nfs/dbraw/zinc/07/66/54/291076654.db2.gz	MYTOTPYYDYGXFE-FCHUYYIVSA-N	1	1	355.478	3.669	1	0	biogenic,in-vitro	FHAFMO
CCNS(=O)(=O)c1ccc(-c2ccc(CC[N@H+]3CCC[C@H]3C)cc2)cc1	ZINC000043012724	211784941	/nfs/dbraw/zinc/78/49/41/211784941.db2.gz	GQLPRIVQAONOIR-QGZVFWFLSA-N	1	1	372.534	3.679	1	0		FHAFMO
CCc1cc2c(s1)Nc1cc(F)c(F)cc1N=C2N1CC[NH+](C)CC1	ZINC000027992032	211476438	/nfs/dbraw/zinc/47/64/38/211476438.db2.gz	HRFSXBSLHXKDLL-UHFFFAOYSA-N	1	1	362.449	3.971	1	0		FHAFMO
OCC[NH+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1	ZINC000022937816	211372317	/nfs/dbraw/zinc/37/23/17/211372317.db2.gz	WVMPJMHWCBRDFH-FPOVZHCZSA-N	1	1	374.887	3.666	1	0		FHAFMO
OCC[NH+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1	ZINC000022937810	211371850	/nfs/dbraw/zinc/37/18/50/211371850.db2.gz	ZTECBXOHIVSPQL-CTNGQTDRSA-N	1	1	374.887	3.666	1	0		FHAFMO
Oc1ccc(C[C@@H]2CNCC[N@H+]2CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000022929283	211370100	/nfs/dbraw/zinc/37/01/00/211370100.db2.gz	FKUGFZNBSHPYHT-LOIQHOORSA-N	1	1	354.538	3.815	3	0		FHAFMO
Oc1ccc(C[C@@H]2C[NH2+]CCN2CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000022929283	211370104	/nfs/dbraw/zinc/37/01/04/211370104.db2.gz	FKUGFZNBSHPYHT-LOIQHOORSA-N	1	1	354.538	3.815	3	0		FHAFMO
CCc1c(Sc2ccc(Br)cc2)[nH]c2nc(N)[nH+]c(N)c21	ZINC000014967420	211109628	/nfs/dbraw/zinc/10/96/28/211109628.db2.gz	OBDTUXPOQMMIAC-UHFFFAOYSA-N	1	1	364.272	3.598	1	0		FHAFMO
COC(=O)CCCC[N@H+](C)[C@]1(c2ccccc2Cl)CCCCC1=O	ZINC000096911387	222138658	/nfs/dbraw/zinc/13/86/58/222138658.db2.gz	FRANGXMVILSKAR-IBGZPJMESA-N	1	1	351.874	3.954	1	0		FHAFMO
COC(=O)CCCC[N@@H+](C)[C@]1(c2ccccc2Cl)CCCCC1=O	ZINC000096911387	222138660	/nfs/dbraw/zinc/13/86/60/222138660.db2.gz	FRANGXMVILSKAR-IBGZPJMESA-N	1	1	351.874	3.954	1	0		FHAFMO
Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1	ZINC000096922464	222139859	/nfs/dbraw/zinc/13/98/59/222139859.db2.gz	YDGOIAYLQWVZCN-PXNSSMCTSA-N	1	1	364.493	3.705	1	0		FHAFMO
C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2	ZINC000101366407	222272064	/nfs/dbraw/zinc/27/20/64/222272064.db2.gz	IDPGDKXBQTZRGW-KBMWQNTOSA-N	1	1	350.462	3.921	1	0		FHAFMO
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)[N@H+]2C/C=C/C[18F]	ZINC000102143585	222289730	/nfs/dbraw/zinc/28/97/30/222289730.db2.gz	LMVDJMCDHZLBFE-HQIMTIOZSA-N	1	1	350.852	3.975	1	0		FHAFMO
CC(C)c1ccc(-c2c(=O)c(=O)c2NCCC[N@H+]2CCC[C@H](C)C2)cc1	ZINC000020510302	519833732	/nfs/dbraw/zinc/83/37/32/519833732.db2.gz	IPHMFNVTBSZBCI-INIZCTEOSA-N	1	1	354.494	3.607	1	0		FHAFMO
C[N@@H+]1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@@H]12	ZINC000058556665	212012586	/nfs/dbraw/zinc/01/25/86/212012586.db2.gz	NQWMDCHHKKVXGW-DHIUTWEWSA-N	1	1	356.473	3.639	1	0		FHAFMO
C[N@H+]1CC[C@@]2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)[C@@H]12	ZINC000058556665	212012587	/nfs/dbraw/zinc/01/25/87/212012587.db2.gz	NQWMDCHHKKVXGW-DHIUTWEWSA-N	1	1	356.473	3.639	1	0		FHAFMO
CNC(=O)Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N@H+](CC1CC1)CC3	ZINC000028709207	211496042	/nfs/dbraw/zinc/49/60/42/211496042.db2.gz	SGHKXPYOPVKZJP-VCOUNFBDSA-N	1	1	354.494	3.873	1	0		FHAFMO
OCC[NH+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1	ZINC000022937835	211370954	/nfs/dbraw/zinc/37/09/54/211370954.db2.gz	HKWOIXRWXXYROZ-QUCCMNQESA-N	1	1	374.887	3.666	1	0		FHAFMO
COc1cc(Br)c2c(c1)CC[N@@H+](C)[C@H]2Cc1ccccc1O	ZINC000013805162	211060567	/nfs/dbraw/zinc/06/05/67/211060567.db2.gz	MKINKQXZCCTYOJ-INIZCTEOSA-N	1	1	362.267	3.935	1	0		FHAFMO
COc1cc(Br)c2c(c1)CC[N@H+](C)[C@H]2Cc1ccccc1O	ZINC000013805162	211060568	/nfs/dbraw/zinc/06/05/68/211060568.db2.gz	MKINKQXZCCTYOJ-INIZCTEOSA-N	1	1	362.267	3.935	1	0		FHAFMO
O=C1c2ccccc2C(=O)N1C1CCC([N@H+]2CCc3ccccc3C2)CC1	ZINC000013802419	211059875	/nfs/dbraw/zinc/05/98/75/211059875.db2.gz	YKDSRIXEEBYQEB-UHFFFAOYSA-N	1	1	360.457	3.652	1	0		FHAFMO
C[N@@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCC1	ZINC000013738804	211055133	/nfs/dbraw/zinc/05/51/33/211055133.db2.gz	WAGDYUJHDQNZLO-FQEVSTJZSA-N	1	1	368.521	3.614	1	0		FHAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Br)c1)[N@H+]2C	ZINC000013642587	211046697	/nfs/dbraw/zinc/04/66/97/211046697.db2.gz	CLDUXOXUODATIA-DRABBMOASA-N	1	1	372.690	3.842	1	0		FHAFMO
Cc1ccc(SC[C@H](c2ccccc2)N2CC[N@@H+](C)CCC2=O)cc1	ZINC000013661802	211046193	/nfs/dbraw/zinc/04/61/93/211046193.db2.gz	MUWQDOWWRPLKCU-HXUWFJFHSA-N	1	1	354.519	3.993	3	0		FHAFMO
Cc1ccc(SC[C@H](c2ccccc2)N2CC[N@H+](C)CCC2=O)cc1	ZINC000013661802	211046197	/nfs/dbraw/zinc/04/61/97/211046197.db2.gz	MUWQDOWWRPLKCU-HXUWFJFHSA-N	1	1	354.519	3.993	3	0		FHAFMO
COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCCCC3)C[N@H+]1CC2	ZINC000071331498	221343492	/nfs/dbraw/zinc/34/34/92/221343492.db2.gz	CRICLBURZAGDER-MISYRCLQSA-N	1	1	359.510	3.954	1	0		FHAFMO
CCC[N@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21	ZINC000000598070	210250624	/nfs/dbraw/zinc/25/06/24/210250624.db2.gz	SDDAWVZASDNIOK-UHFFFAOYSA-N	1	1	356.401	3.882	1	0		FHAFMO
CC(C)CNC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1	ZINC000061908797	212026974	/nfs/dbraw/zinc/02/69/74/212026974.db2.gz	FXNQRDCCMYTWIM-KRWDZBQOSA-N	1	1	358.404	3.712	3	0		FHAFMO
OCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3c2cccc3Cl)CC1	ZINC000022937783	211369986	/nfs/dbraw/zinc/36/99/86/211369986.db2.gz	ADWYWJGQPNBBNY-AZUAARDMSA-N	1	1	374.887	3.666	1	0		FHAFMO
C[C@@H](CC[N@H+]1CCC[C@@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21	ZINC000013531243	211037607	/nfs/dbraw/zinc/03/76/07/211037607.db2.gz	XZYWRBPKJXHPIN-MSOLQXFVSA-N	1	1	374.550	3.971	1	0		FHAFMO
CCC[N@@H+](C)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1	ZINC000013529279	211038221	/nfs/dbraw/zinc/03/82/21/211038221.db2.gz	OVJLBHULUOXYFR-LJQANCHMSA-N	1	1	355.478	3.584	1	0		FHAFMO
CC(C)[C@@H](c1ccccn1)N(CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066078202	221239921	/nfs/dbraw/zinc/23/99/21/221239921.db2.gz	VTRPJUPDZLHKFJ-NRFANRHFSA-N	1	1	351.498	3.896	1	0		FHAFMO
COC(=O)CCCC[N@H+](C)[C@@]1(c2ccccc2Cl)CCCCC1=O	ZINC000096911388	222138817	/nfs/dbraw/zinc/13/88/17/222138817.db2.gz	FRANGXMVILSKAR-LJQANCHMSA-N	1	1	351.874	3.954	1	0		FHAFMO
COC(=O)CCCC[N@@H+](C)[C@@]1(c2ccccc2Cl)CCCCC1=O	ZINC000096911388	222138820	/nfs/dbraw/zinc/13/88/20/222138820.db2.gz	FRANGXMVILSKAR-LJQANCHMSA-N	1	1	351.874	3.954	1	0		FHAFMO
Cc1nc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1	ZINC000103271977	222330478	/nfs/dbraw/zinc/33/04/78/222330478.db2.gz	VOSRGYYQXSUOEL-LPHOPBHVSA-N	1	1	364.493	3.705	1	0		FHAFMO
C[NH+]1CCN(C[C@H](c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1	ZINC000022942492	211371349	/nfs/dbraw/zinc/37/13/49/211371349.db2.gz	LGRZVDOIDOOMRO-GOSISDBHSA-N	1	1	370.459	3.732	1	0	in-vitro	FHAFMO
COc1cc2c(cc1OC)Cc1[nH]c3ccccc3c1CC[N@@H+](C)CC2	ZINC000013808576	211060394	/nfs/dbraw/zinc/06/03/94/211060394.db2.gz	ILLDXVCWSLGVJR-UHFFFAOYSA-N	1	1	350.462	3.806	1	0		FHAFMO
CC(C)NC(=O)CSC[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(Cl)cc1	ZINC000013677519	211049219	/nfs/dbraw/zinc/04/92/19/211049219.db2.gz	GPNABXAHBDYHFE-DOTOQJQBSA-N	1	1	354.947	3.633	1	0		FHAFMO
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[N@@H+](C)CCc1ccccn1)O2	ZINC000013651339	211045649	/nfs/dbraw/zinc/04/56/49/211045649.db2.gz	HFFHVLHCRKCOOJ-JOCHJYFZSA-N	1	1	354.494	3.971	1	0		FHAFMO
C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12	ZINC000013607551	211042783	/nfs/dbraw/zinc/04/27/83/211042783.db2.gz	AEPVZNANVLFOQO-KRWDZBQOSA-N	1	1	369.490	3.605	1	0		FHAFMO
O=c1[nH]c(CCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)nc2ccccc21	ZINC000013581572	211040231	/nfs/dbraw/zinc/04/02/31/211040231.db2.gz	KVSWJONATOQUSH-UHFFFAOYSA-N	1	1	358.445	3.808	1	0		FHAFMO
O=c1[nH]c(CCC[N@H+]2CCc3c4ccccc4[nH]c3C2)nc2ccccc21	ZINC000013581572	211040236	/nfs/dbraw/zinc/04/02/36/211040236.db2.gz	KVSWJONATOQUSH-UHFFFAOYSA-N	1	1	358.445	3.808	1	0		FHAFMO
NC(=[NH2+])c1cc2nc(-c3cccc(OC4CCCC4)c3O)[nH]c2cc1F	ZINC000013444367	211034082	/nfs/dbraw/zinc/03/40/82/211034082.db2.gz	HGCWQYNOYKMTPT-UHFFFAOYSA-N	1	1	354.385	3.680	1	0		FHAFMO
COc1cc(-c2[nH+]c3cccc(C)n3c2NC[C@@H]2CCCO2)ccc1O	ZINC000000904118	210288306	/nfs/dbraw/zinc/28/83/06/210288306.db2.gz	HXZMXRGDQKXTQE-HNNXBMFYSA-N	1	1	353.422	3.615	3	0		FHAFMO
C[N@H+]1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O	ZINC000071316962	221341100	/nfs/dbraw/zinc/34/11/00/221341100.db2.gz	YEFYNZHDZSJWCN-QGZVFWFLSA-N	1	1	367.880	3.735	1	0		FHAFMO
COc1ccccc1N1CC[NH+](Cc2c(C)c(C)sc2NC(C)=O)CC1	ZINC000053022814	136124743	/nfs/dbraw/zinc/12/47/43/136124743.db2.gz	RNJTZLZBENZWCD-UHFFFAOYSA-N	1	1	373.522	3.654	1	0		FHAFMO
CC[N@@H+]1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(F)cc2F)C1	ZINC000096917472	222138740	/nfs/dbraw/zinc/13/87/40/222138740.db2.gz	PSXAUHKFMLAJCF-UHFFFAOYSA-N	1	1	362.424	3.917	1	0		FHAFMO
CC[N@H+]1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(F)cc2F)C1	ZINC000096917472	222138742	/nfs/dbraw/zinc/13/87/42/222138742.db2.gz	PSXAUHKFMLAJCF-UHFFFAOYSA-N	1	1	362.424	3.917	1	0		FHAFMO
CC(=O)c1ccc(O[C@]2(C)CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1	ZINC000061908097	212027055	/nfs/dbraw/zinc/02/70/55/212027055.db2.gz	WSBXRHGAPKITNZ-JOCHJYFZSA-N	1	1	367.445	3.704	3	0		FHAFMO
C[NH+]1CCN(C(=O)c2cccc3c(-c4ccc(F)c(F)c4)coc32)CC1	ZINC000061896320	212027087	/nfs/dbraw/zinc/02/70/87/212027087.db2.gz	ACGLXQOMPTUDHH-UHFFFAOYSA-N	1	1	356.372	3.766	3	0		FHAFMO
C[N@H+]1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc13	ZINC000058594102	212012562	/nfs/dbraw/zinc/01/25/62/212012562.db2.gz	HDRKKGULQPRYBL-TUACAJSNSA-N	1	1	356.469	3.853	1	0	in-vivo	FHAFMO
CC(C)NC(=O)CSC[C@H]1C[N@@H+](C)CC[C@H]1c1ccc(Cl)cc1	ZINC000013677493	220084928	/nfs/dbraw/zinc/08/49/28/220084928.db2.gz	GPNABXAHBDYHFE-WBVHZDCISA-N	1	1	354.947	3.633	1	0		FHAFMO
COc1cc2c(cc1OC)Sc1ccccc1[C@@H](N1CC[NH+](C)CC1)C2	ZINC000022460901	211350720	/nfs/dbraw/zinc/35/07/20/211350720.db2.gz	DAPHHFZZMZLBQM-KRWDZBQOSA-N	1	1	370.518	3.700	1	0		FHAFMO
CC[N@H+]1CCC[C@@H]1CNc1ncnc2onc(-c3ccc(Cl)cc3)c21	ZINC000020329714	211275672	/nfs/dbraw/zinc/27/56/72/211275672.db2.gz	CRBUWGABDPXDNM-CQSZACIVSA-N	1	1	357.845	3.834	1	0		FHAFMO
C[N@@H+](C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C(C)(C)C	ZINC000013738799	211055483	/nfs/dbraw/zinc/05/54/83/211055483.db2.gz	LDYQURJWCGZMCC-IBGZPJMESA-N	1	1	370.537	3.860	1	0		FHAFMO
COC(C(=O)OCC[C@H]1CCC[N@H+]1C)(c1ccccc1)c1ccccc1	ZINC000002032993	210376717	/nfs/dbraw/zinc/37/67/17/210376717.db2.gz	OVTSPRWPWDXYLZ-HXUWFJFHSA-N	1	1	353.462	3.604	1	0		FHAFMO
C[C@@H]1CCC[N@H+]1CCc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1	ZINC000068151795	221314386	/nfs/dbraw/zinc/31/43/86/221314386.db2.gz	XIWFPNSSTOCGHV-GOSISDBHSA-N	1	1	359.473	3.926	1	0		FHAFMO
CC[C@H](C)C[N@H+]1CCN(c2cc(NC(=O)c3cccs3)ccn2)[C@@H](C)C1	ZINC000169295967	132261637	/nfs/dbraw/zinc/26/16/37/132261637.db2.gz	SHPAVHNYNUXNEN-HOTGVXAUSA-N	1	1	372.538	3.952	1	0		FHAFMO
C[NH+]1CCN(c2nc3ccccc3nc2OCc2ccc(Cl)cc2)CC1	ZINC000029053376	136153588	/nfs/dbraw/zinc/15/35/88/136153588.db2.gz	AGPIKWIOEVLNPA-UHFFFAOYSA-N	1	1	368.868	3.614	1	0		FHAFMO
CC(C)[N@@H+](C)C[C@@H](O)COc1ccc2cc(Br)ccc2c1	ZINC000096903465	222137913	/nfs/dbraw/zinc/13/79/13/222137913.db2.gz	RTSPQNYEIWFBCP-MRXNPFEDSA-N	1	1	352.272	3.682	1	0		FHAFMO
C[NH+]1CCN(Cc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)CC1	ZINC000103217749	222326854	/nfs/dbraw/zinc/32/68/54/222326854.db2.gz	RSSBGXPJEGPONR-UHFFFAOYSA-N	1	1	368.864	3.861	1	0		FHAFMO
C[C@@H]1CCC[N@H+]1CCN1CCc2cc(-c3ccc(F)cc3)ccc2C1=O	ZINC000059114028	212014802	/nfs/dbraw/zinc/01/48/02/212014802.db2.gz	PESOUNLSPHQJGL-MRXNPFEDSA-N	1	1	352.453	3.975	1	0		FHAFMO
CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1	ZINC000022939501	211371784	/nfs/dbraw/zinc/37/17/84/211371784.db2.gz	ADYWDZJRWKEHMW-JOCHJYFZSA-N	1	1	365.521	3.505	1	0		FHAFMO
CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1	ZINC000022939498	211370536	/nfs/dbraw/zinc/37/05/36/211370536.db2.gz	ADYWDZJRWKEHMW-QFIPXVFZSA-N	1	1	365.521	3.505	1	0		FHAFMO
Cc1noc(C)c1-c1ccc2ncnc(NC[C@H]3CCCC[N@@H+]3C)c2c1	ZINC000013828601	211061246	/nfs/dbraw/zinc/06/12/46/211061246.db2.gz	VBBQLTUTNDYBQT-MRXNPFEDSA-N	1	1	351.454	3.798	3	0		FHAFMO
c1[nH]c2ccccc2c1[C@@H]1ON=C(c2ccccc2)[C@@H]1C[NH+]1CCOCC1	ZINC000103287902	222331516	/nfs/dbraw/zinc/33/15/16/222331516.db2.gz	PDFYKKURFMOUES-UGKGYDQZSA-N	1	1	361.445	3.592	1	0		FHAFMO
Cc1ccc(C(N)=O)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000101363778	222272273	/nfs/dbraw/zinc/27/22/73/222272273.db2.gz	JTJFSCIURFCZGE-PMOLBWCYSA-N	1	1	350.462	3.668	1	0		FHAFMO
Cc1[nH]nc2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccccc4)c3)cc12	ZINC000014957892	581091663	/nfs/dbraw/zinc/09/16/63/581091663.db2.gz	AIGXEZVGFUERRR-IBGZPJMESA-N	1	1	357.461	3.915	1	0		FHAFMO
c1ccc2c(c1)[nH]nc2-c1nc2ccc(OCCC[NH+]3CCCC3)cc2[nH]1	ZINC000036176871	581092509	/nfs/dbraw/zinc/09/25/09/581092509.db2.gz	GFMYTWVSAZEZRD-UHFFFAOYSA-N	1	1	361.449	3.971	1	0		FHAFMO
CC[N@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@@H]12	ZINC000029225732	581095436	/nfs/dbraw/zinc/09/54/36/581095436.db2.gz	PVMNTYXKDFRXKP-IRLDBZIGSA-N	1	1	350.462	3.883	1	0		FHAFMO
CC(C)C[N@@H+]1CCC(=O)N([C@H](COc2ccccc2)c2ccccc2)CC1	ZINC000012474507	220000222	/nfs/dbraw/zinc/00/02/22/220000222.db2.gz	ACQDLKRDWAJZDZ-JOCHJYFZSA-N	1	1	366.505	3.997	3	0		FHAFMO
CCCC[C@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000013740710	220092338	/nfs/dbraw/zinc/09/23/38/220092338.db2.gz	XPLDMBFWNMAYJN-YYFZDKIDSA-N	1	1	351.494	3.733	1	0		FHAFMO
CC[NH+]1CCN(C(=O)C23C[C@@H]4C[C@@H](CC(Cc5ccccc5)(C4)C2)C3)CC1	ZINC000015593957	220157154	/nfs/dbraw/zinc/15/71/54/220157154.db2.gz	WEEDVZDWNMVNFV-MNZGCLKASA-N	1	1	366.549	3.980	1	0		FHAFMO
Cc1nc(C(=O)Nc2ccc(N3CC[C@H]([N@@H+]4CCC[C@@H]4C)C3)cc2C)co1	ZINC000059263159	221124955	/nfs/dbraw/zinc/12/49/55/221124955.db2.gz	SJCPAVQYCMSYEE-YJBOKZPZSA-N	1	1	368.481	3.607	1	0		FHAFMO
C[NH+]1CCN(C(=O)c2cn3c4c2cccc4OC[C@H]3C2CCCCC2)CC1	ZINC000058506429	221121098	/nfs/dbraw/zinc/12/10/98/221121098.db2.gz	ROYMHWOULZALOP-IBGZPJMESA-N	1	1	367.493	3.543	1	0		FHAFMO
COc1ccccc1N1CC[NH+](CC[C@@H]2CCc3sccc3C2=O)CC1	ZINC000013471665	132867522	/nfs/dbraw/zinc/86/75/22/132867522.db2.gz	HIFLACAUPGVDAM-INIZCTEOSA-N	1	1	370.518	3.714	1	0		FHAFMO
Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)cc1	ZINC000101366352	222272069	/nfs/dbraw/zinc/27/20/69/222272069.db2.gz	NBCIMSDAMDKCQO-CEQLMSFQSA-N	1	1	350.462	3.668	1	0		FHAFMO
CCCCOc1ccc([C@@](O)(CC[NH+]2CCOCC2)c2ccccc2)cc1	ZINC000019855770	520897119	/nfs/dbraw/zinc/89/71/19/520897119.db2.gz	LTDLMDRADXKBIO-HSZRJFAPSA-N	1	1	369.505	3.824	3	0		FHAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C\Br)cc1)[N@H+]2C	ZINC000013559568	220073954	/nfs/dbraw/zinc/07/39/54/220073954.db2.gz	QRRDJSMVPRYYBA-YRVSDYCQSA-N	1	1	364.283	3.792	1	0		FHAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nc2ccccc21	ZINC000013581578	220076544	/nfs/dbraw/zinc/07/65/44/220076544.db2.gz	JFSNQOXGPKPECX-UHFFFAOYSA-N	1	1	363.436	3.784	1	0		FHAFMO
O=C1Nc2ccc(Cl)cc2[C@]12[NH2+]CCCCc1c3ccccc3[nH]c12	ZINC000049110238	221019052	/nfs/dbraw/zinc/01/90/52/221019052.db2.gz	BHHHVBQTPZIDOR-HXUWFJFHSA-N	1	1	351.837	3.943	1	0		FHAFMO
CCC[N@H+]1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049069270	221019415	/nfs/dbraw/zinc/01/94/15/221019415.db2.gz	AVVYPTYKGGWLGP-OAHLLOKOSA-N	1	1	358.507	3.571	1	0		FHAFMO
CC(C)CNC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1	ZINC000061908798	221137179	/nfs/dbraw/zinc/13/71/79/221137179.db2.gz	FXNQRDCCMYTWIM-QGZVFWFLSA-N	1	1	358.404	3.712	3	0		FHAFMO
CC(C)CC[N@@H+]1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1	ZINC000066167105	221242939	/nfs/dbraw/zinc/24/29/39/221242939.db2.gz	POXPJZRJBSECAL-ALOPSCKCSA-N	1	1	355.309	3.947	1	0		FHAFMO
Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccnc1	ZINC000096922465	222139876	/nfs/dbraw/zinc/13/98/76/222139876.db2.gz	YDGOIAYLQWVZCN-FXAWDEMLSA-N	1	1	364.493	3.705	1	0		FHAFMO
Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C(N)=O)c1	ZINC000101363776	222271568	/nfs/dbraw/zinc/27/15/68/222271568.db2.gz	LJTNAYABPZKATH-KXTWHKPSSA-N	1	1	350.462	3.668	1	0		FHAFMO
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4cc[nH+]cc43)nc21	ZINC000005841838	581095757	/nfs/dbraw/zinc/09/57/57/581095757.db2.gz	BOCZNEJOYWHXFD-UHFFFAOYSA-N	1	1	370.416	3.768	1	0		FHAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccccc3)CC2)nc2cccc(F)c21	ZINC000013581542	220075616	/nfs/dbraw/zinc/07/56/16/220075616.db2.gz	AGWUKGSYPXFPSJ-UHFFFAOYSA-N	1	1	363.436	3.784	1	0		FHAFMO
COc1cccc2c1CCC[C@H]2C[N@@H+](C)CCc1ccc2c(c1)CC(=O)N2	ZINC000013761437	220093565	/nfs/dbraw/zinc/09/35/65/220093565.db2.gz	BYHTZWPPZDLFLX-KRWDZBQOSA-N	1	1	364.489	3.784	1	0		FHAFMO
O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](C2CCOCC2)C1	ZINC000015073873	220146253	/nfs/dbraw/zinc/14/62/53/220146253.db2.gz	FVKAIFNJIJHBMV-MRXNPFEDSA-N	1	1	371.506	3.640	1	0		FHAFMO
c1ccc(CC[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1	ZINC000015779158	220165677	/nfs/dbraw/zinc/16/56/77/220165677.db2.gz	GPTHNIPEPKHMSI-UHFFFAOYSA-N	1	1	374.444	3.550	1	0		FHAFMO
C[N@H+]1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1	ZINC000049048802	221017942	/nfs/dbraw/zinc/01/79/42/221017942.db2.gz	XXPIPRYYDWMLIM-GJZGRUSLSA-N	1	1	373.382	3.536	1	0		FHAFMO
Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([N@@H+]4CCC[C@@H]4C)C3)cc2C)on1	ZINC000059263903	221125342	/nfs/dbraw/zinc/12/53/42/221125342.db2.gz	ZZHUXSGMUONPBN-WMZOPIPTSA-N	1	1	368.481	3.607	1	0		FHAFMO
COc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)c3occc32)c(C)c1	ZINC000061904970	221137255	/nfs/dbraw/zinc/13/72/55/221137255.db2.gz	RJMOUNAMHKBLHB-UHFFFAOYSA-N	1	1	364.445	3.804	3	0		FHAFMO
COCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1	ZINC000061903726	221135523	/nfs/dbraw/zinc/13/55/23/221135523.db2.gz	JJEQROKAKBSZLM-FQEVSTJZSA-N	1	1	366.505	3.718	3	0		FHAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H](c3ccccc3)c3ccccc31)C2	ZINC000003783657	219525353	/nfs/dbraw/zinc/52/53/53/219525353.db2.gz	LSBPGQZSPXOWCV-QYYYHEGRSA-N	1	1	361.489	3.973	1	0		FHAFMO
O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC[N@H+](C2CC2)CC1	ZINC000053293803	221044945	/nfs/dbraw/zinc/04/49/45/221044945.db2.gz	QUECJXNZRPXUEO-UHFFFAOYSA-N	1	1	371.868	3.838	1	0		FHAFMO
COCOc1cccc(C[N@H+]2CC[C@@](C)(Oc3ccc(C(C)=O)cc3)C2)c1	ZINC000061902700	221135811	/nfs/dbraw/zinc/13/58/11/221135811.db2.gz	PMCWJKUXICNUPW-JOCHJYFZSA-N	1	1	369.461	3.915	3	0		FHAFMO
COCCNC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C)c3ccccc23)C1	ZINC000061908511	221136552	/nfs/dbraw/zinc/13/65/52/221136552.db2.gz	YEDHLYRTNMJICD-JOCHJYFZSA-N	1	1	354.494	3.513	3	0		FHAFMO
Cc1cccc(S(=O)(=O)c2ccc3[nH]nc(C4CC[NH+](C)CC4)c3c2)c1	ZINC000071295938	221341092	/nfs/dbraw/zinc/34/10/92/221341092.db2.gz	CUOBXOYPSPRZOA-UHFFFAOYSA-N	1	1	369.490	3.513	1	0		FHAFMO
Cc1ccc[nH+]c1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1	ZINC000013611984	132868803	/nfs/dbraw/zinc/86/88/03/132868803.db2.gz	NGVOFCKLNMBOIB-UHFFFAOYSA-N	1	1	364.371	3.763	1	0		FHAFMO
C[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1	ZINC000100001943	222231488	/nfs/dbraw/zinc/23/14/88/222231488.db2.gz	GHDWIFTUSXQYGK-FWYOQMDTSA-N	1	1	352.272	3.721	1	0		FHAFMO
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(O)c1)c1ccccc1	ZINC000101644930	222279119	/nfs/dbraw/zinc/27/91/19/222279119.db2.gz	NNGQTBXHBXQGOX-KXTWHKPSSA-N	1	1	351.446	3.787	1	0		FHAFMO
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1)c1ccccc1	ZINC000101644909	222279374	/nfs/dbraw/zinc/27/93/74/222279374.db2.gz	CAELFFAMXVUOKR-BQJUDKOJSA-N	1	1	351.446	3.572	1	0	in-vitro	FHAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)[N@H+]2C/C=C/C[18F]	ZINC000102143587	222289858	/nfs/dbraw/zinc/28/98/58/222289858.db2.gz	LMVDJMCDHZLBFE-PNMOZHTDSA-N	1	1	350.852	3.975	1	0		FHAFMO
CC(C)c1ccc(-c2c(=O)c(=O)c2NCCC[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000020510300	519833782	/nfs/dbraw/zinc/83/37/82/519833782.db2.gz	IPHMFNVTBSZBCI-MRXNPFEDSA-N	1	1	354.494	3.607	1	0		FHAFMO
COc1cc2cc(CCC(C)=O)c3c(c2cc1OC)C[C@@H]1CCC[N@H+]1C3	ZINC000014829387	291077861	/nfs/dbraw/zinc/07/78/61/291077861.db2.gz	FMOOLBLKBMPLJD-KRWDZBQOSA-N	1	1	353.462	3.899	1	0	biogenic,in-vitro	FHAFMO
C[N@@H+]1CC=C(c2c[nH]c3ccc(N4C(=O)c5ccccc5C4=O)cc32)CC1	ZINC000013731846	220090793	/nfs/dbraw/zinc/09/07/93/220090793.db2.gz	WVMXJALMALVULM-UHFFFAOYSA-N	1	1	357.413	3.687	1	0		FHAFMO
CCC[N@@H+](C/C=C/I)[C@H]1CCc2c(O)cccc2C1	ZINC000013739884	220091973	/nfs/dbraw/zinc/09/19/73/220091973.db2.gz	LYFXQSOWXVVQIV-MDDUGHTDSA-N	1	1	371.262	3.910	1	0		FHAFMO
C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c3c(ccc21)CCO3	ZINC000013761409	220093546	/nfs/dbraw/zinc/09/35/46/220093546.db2.gz	KXPCINIHFIZOCL-SFHVURJKSA-N	1	1	365.473	3.945	1	0		FHAFMO
CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[NH+]2CCOCC2)cc1	ZINC000013803485	220096200	/nfs/dbraw/zinc/09/62/00/220096200.db2.gz	HXDJHYKSRHALMQ-NRFANRHFSA-N	1	1	352.478	3.590	1	0		FHAFMO
CC(C)[NH+]1CCC(c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)CC1	ZINC000049071167	221018958	/nfs/dbraw/zinc/01/89/58/221018958.db2.gz	XAWRSZTWBZKLHW-UHFFFAOYSA-N	1	1	362.477	3.917	1	0		FHAFMO
O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1	ZINC000096902109	222136244	/nfs/dbraw/zinc/13/62/44/222136244.db2.gz	LOKCGQMABNKXKB-OAHLLOKOSA-N	1	1	355.825	3.971	3	0		FHAFMO
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1)c1ccccc1	ZINC000101644905	222279186	/nfs/dbraw/zinc/27/91/86/222279186.db2.gz	CAELFFAMXVUOKR-IVAOSVALSA-N	1	1	351.446	3.572	1	0		FHAFMO
C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12	ZINC000013607549	220078059	/nfs/dbraw/zinc/07/80/59/220078059.db2.gz	AEPVZNANVLFOQO-QGZVFWFLSA-N	1	1	369.490	3.605	1	0		FHAFMO
COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000017701835	220217043	/nfs/dbraw/zinc/21/70/43/220217043.db2.gz	MHBUXFIHOVRGPW-HXUWFJFHSA-N	1	1	360.457	3.853	1	0		FHAFMO
C[C@H]1CCc2c3ccccc3[nH]c2[C@@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12	ZINC000049034678	221017835	/nfs/dbraw/zinc/01/78/35/221017835.db2.gz	VLGARHNNCOWEGF-PRWKNARSSA-N	1	1	351.837	3.941	1	0		FHAFMO
C[C@H]1CCc2c3ccccc3[nH]c2[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12	ZINC000049034674	221018116	/nfs/dbraw/zinc/01/81/16/221018116.db2.gz	VLGARHNNCOWEGF-YBTHPKLGSA-N	1	1	351.837	3.941	1	0		FHAFMO
Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccco1	ZINC000059262792	221124878	/nfs/dbraw/zinc/12/48/78/221124878.db2.gz	WFSAHCWIQYOYHH-WMZOPIPTSA-N	1	1	353.466	3.903	1	0		FHAFMO
COCCNC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c3ccccc23)C1	ZINC000061908512	221137123	/nfs/dbraw/zinc/13/71/23/221137123.db2.gz	YEDHLYRTNMJICD-QFIPXVFZSA-N	1	1	354.494	3.513	3	0		FHAFMO
COCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000061927415	221136613	/nfs/dbraw/zinc/13/66/13/221136613.db2.gz	HWZZIQNXHGBEJF-JOCHJYFZSA-N	1	1	366.505	3.718	3	0		FHAFMO
C[C@H](CC[N@H+]1CCC[C@H](C)C1)N(C)S(=O)(=O)c1cccc2ccccc21	ZINC000005493659	263341700	/nfs/dbraw/zinc/34/17/00/263341700.db2.gz	XZYWRBPKJXHPIN-ZWKOTPCHSA-N	1	1	374.550	3.971	1	0		FHAFMO
Cc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1	ZINC000015779164	220165476	/nfs/dbraw/zinc/16/54/76/220165476.db2.gz	SQUXJJARQIYWJC-UHFFFAOYSA-N	1	1	374.444	3.816	1	0		FHAFMO
Cc1ccccc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1	ZINC000015779164	220165479	/nfs/dbraw/zinc/16/54/79/220165479.db2.gz	SQUXJJARQIYWJC-UHFFFAOYSA-N	1	1	374.444	3.816	1	0		FHAFMO
O=C(Nc1ccc(C2=[NH+]CCN2)nc1)c1sc2ccccc2c1Cl	ZINC000040949778	220926401	/nfs/dbraw/zinc/92/64/01/220926401.db2.gz	QQGAJBGTHMDAQP-UHFFFAOYSA-N	1	1	356.838	3.552	1	0		FHAFMO
C[C@@H](c1ccccn1)N(CCCC[NH3+])Cc1ncccc1C(F)(F)F	ZINC000066077630	221240481	/nfs/dbraw/zinc/24/04/81/221240481.db2.gz	NXOVWJQOIFZYII-AWEZNQCLSA-N	1	1	352.404	3.798	1	0		FHAFMO
Cc1ccc(C)c(N2CC[NH+]([C@@H](C(=O)NC3CCCC3)C(C)C)CC2)c1	ZINC000095601703	132215848	/nfs/dbraw/zinc/21/58/48/132215848.db2.gz	DJYKRZORDGBNOS-OAQYLSRUSA-N	1	1	357.542	3.509	3	0		FHAFMO
CNC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1	ZINC000101363799	222272184	/nfs/dbraw/zinc/27/21/84/222272184.db2.gz	ANRXIHXQFLKMRJ-KXTWHKPSSA-N	1	1	350.462	3.621	1	0		FHAFMO
COc1cc(-c2[nH+]c3cccc(C)n3c2NC[C@H]2CCCO2)ccc1O	ZINC000000904115	219339371	/nfs/dbraw/zinc/33/93/71/219339371.db2.gz	HXZMXRGDQKXTQE-OAHLLOKOSA-N	1	1	353.422	3.615	3	0		FHAFMO
C[N@@H+]1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1	ZINC000012474519	220000319	/nfs/dbraw/zinc/00/03/19/220000319.db2.gz	VTRQINMULFJJRM-IBGZPJMESA-N	1	1	354.519	3.554	3	0		FHAFMO
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nc2ccccc21	ZINC000013581593	220076073	/nfs/dbraw/zinc/07/60/73/220076073.db2.gz	VVYGOCQBAQDXOA-UHFFFAOYSA-N	1	1	361.445	3.763	1	0		FHAFMO
C[N@H+]1CCCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn32)CC1	ZINC000061907674	221137108	/nfs/dbraw/zinc/13/71/08/221137108.db2.gz	LHYCGZWDKSKPQZ-UHFFFAOYSA-N	1	1	357.461	3.691	3	0		FHAFMO
C[NH+]1CCN(c2nc(C(F)(F)F)nc3c4cc(Cl)ccc4oc32)CC1	ZINC000038238520	136118621	/nfs/dbraw/zinc/11/86/21/136118621.db2.gz	UUCRANZICWLCDT-UHFFFAOYSA-N	1	1	370.762	3.800	1	0		FHAFMO