smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](C2CCOCC2)C1	ZINC000012706643	201861342	/nfs/dbraw/zinc/86/13/42/201861342.db2.gz	BWRHVSVBPYOXNS-NRFANRHFSA-N	1	1	345.483	3.444	1	0		EGAFMO
CC(C)C[N@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO	ZINC000022932598	202094747	/nfs/dbraw/zinc/09/47/47/202094747.db2.gz	DBWUKIMJRWRTSX-INIZCTEOSA-N	1	1	344.421	3.230	3	0		EGAFMO
Cc1[nH+]ccn1C[C@@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026280538	202141263	/nfs/dbraw/zinc/14/12/63/202141263.db2.gz	QQROFNGGSWKGSC-MRXNPFEDSA-N	1	1	333.435	3.299	1	0		EGAFMO
Cc1[nH+]ccn1CC[C@](C(N)=O)(c1ccccc1)c1ccc(C)cc1	ZINC000026284101	202141370	/nfs/dbraw/zinc/14/13/70/202141370.db2.gz	DVXYCISFEOBNGC-NRFANRHFSA-N	1	1	333.435	3.362	1	0		EGAFMO
Clc1ccc(CO[C@]2(C3=[NH+]CCN3)COc3ccccc3O2)cc1	ZINC000026003365	202138187	/nfs/dbraw/zinc/13/81/87/202138187.db2.gz	UOUGCBRTMRDAPB-GOSISDBHSA-N	1	1	344.798	3.026	1	0		EGAFMO
CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1C[NH+]1CCCCC1	ZINC000031872387	202212470	/nfs/dbraw/zinc/21/24/70/202212470.db2.gz	SWOAEJVPQYWSIU-VBKFSLOCSA-N	1	1	329.469	3.341	1	0		EGAFMO
COC1=C[C@@H]2CCC[N@@H+]3CCC4=CC[C@H](OC)C[C@@]43[C@@H]2C=C1OC	ZINC000085530716	560073412	/nfs/dbraw/zinc/07/34/12/560073412.db2.gz	RBHHHGGATPLHFO-REGYPHIPSA-N	1	1	331.456	3.267	1	0	biogenic,in-vitro	EGAFMO
CC[NH+]1CCN([C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1	ZINC000020108543	202031955	/nfs/dbraw/zinc/03/19/55/202031955.db2.gz	JOZRJGRRCAZKBP-SFHVURJKSA-N	1	1	349.906	3.077	3	0		EGAFMO
C[C@H]1C[NH+](CCn2ccc3ccc(Br)cc32)C[C@H](C)N1	ZINC000022939978	202095448	/nfs/dbraw/zinc/09/54/48/202095448.db2.gz	SYRJGMVLKSMDSP-STQMWFEESA-N	1	1	336.277	3.086	1	0		EGAFMO
CCCN(CC)[C@@H](C[N@@H+](CC)CCC)C(=O)Nc1ccccc1OC	ZINC000026005730	202137390	/nfs/dbraw/zinc/13/73/90/202137390.db2.gz	ZSLVIUAPFXFIDG-SFHVURJKSA-N	1	1	349.519	3.466	1	0		EGAFMO
CS(=O)(=O)c1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3ccccc32)cc1	ZINC000026666178	202146210	/nfs/dbraw/zinc/14/62/10/202146210.db2.gz	VWAZBFLLAFBCKP-RTBURBONSA-N	1	1	327.449	3.373	1	0		EGAFMO
C[NH+]1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1	ZINC000026668349	202146363	/nfs/dbraw/zinc/14/63/63/202146363.db2.gz	URZPDWAADSKBHJ-UEVCKROQSA-N	1	1	348.490	3.452	1	0		EGAFMO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@H+]3CCC[C@@H](O)C3)[C@@H]12	ZINC000028016609	202164679	/nfs/dbraw/zinc/16/46/79/202164679.db2.gz	MPMBYCYHKVVBJT-BCNVYZLRSA-N	1	1	349.515	3.227	1	0		EGAFMO
Cc1ccc(CC[NH2+]C[C@H](c2ccccc2)N2CCN(C)CC2)cc1	ZINC000028523399	202171228	/nfs/dbraw/zinc/17/12/28/202171228.db2.gz	DCIFHYZQBNVLIP-JOCHJYFZSA-N	1	1	337.511	3.116	1	0		EGAFMO
Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(C[N@@H+]3C[C@H]4C[C@@H]3CO4)c12	ZINC000073195810	203259566	/nfs/dbraw/zinc/25/95/66/203259566.db2.gz	WMMNZISSDPRVMN-CHWSQXEVSA-N	1	1	342.830	3.354	1	0		EGAFMO
Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(C[N@H+]3C[C@H]4C[C@@H]3CO4)c12	ZINC000073195810	203259570	/nfs/dbraw/zinc/25/95/70/203259570.db2.gz	WMMNZISSDPRVMN-CHWSQXEVSA-N	1	1	342.830	3.354	1	0		EGAFMO
COc1cc2[nH+]c(N3CCCCC3)nc(NC3CC3)c2cc1OC	ZINC000036382491	536895000	/nfs/dbraw/zinc/89/50/00/536895000.db2.gz	WRWVSNGYBZTQED-UHFFFAOYSA-N	1	1	328.416	3.212	1	0		EGAFMO
COc1cccc(C)c1-c1nc2ccc(N3CC[NH+](C)CC3)cc2[nH]1	ZINC000587785684	1298053762	/nfs/dbraw/zinc/05/37/62/1298053762.db2.gz	FLDJEICNGWYEQT-UHFFFAOYSA-N	1	1	336.439	3.299	1	0		EGAFMO
C[N@@H+]1Cc2c(NC(=O)CN3CCCC3)cccc2[C@@H](c2ccccc2)C1	ZINC000028219397	202166491	/nfs/dbraw/zinc/16/64/91/202166491.db2.gz	YDJJPPIMCFBACU-LJQANCHMSA-N	1	1	349.478	3.298	1	0		EGAFMO
CC(C)C[N@@H+]1C[C@@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@@H]2C1	ZINC000101637702	204016717	/nfs/dbraw/zinc/01/67/17/204016717.db2.gz	ZHQZERHXDRINRI-QDMKHBRRSA-N	1	1	328.485	3.451	1	0		EGAFMO
CN1CCC[N@@H+](CCn2ccc3ccc(Br)cc32)CC1	ZINC000022939903	202095408	/nfs/dbraw/zinc/09/54/08/202095408.db2.gz	NAKAXDBDUSCXMP-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@@H+]1CCCN(CCn2ccc3ccc(Br)cc32)CC1	ZINC000022939903	202095412	/nfs/dbraw/zinc/09/54/12/202095412.db2.gz	NAKAXDBDUSCXMP-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@H+]1CCCN(CCn2ccc3ccc(Br)cc32)CC1	ZINC000022939903	202095414	/nfs/dbraw/zinc/09/54/14/202095414.db2.gz	NAKAXDBDUSCXMP-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
Cc1ccc(C[NH+]2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)cc1	ZINC000026247421	202140501	/nfs/dbraw/zinc/14/05/01/202140501.db2.gz	GDOWWYCKCLQFKP-OAQYLSRUSA-N	1	1	349.478	3.066	1	0		EGAFMO
C[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)CC1=O	ZINC000029218861	202183646	/nfs/dbraw/zinc/18/36/46/202183646.db2.gz	QZAHEMXNNCHNHX-JRJNMRRASA-N	1	1	325.452	3.286	1	0		EGAFMO
CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21	ZINC000029566932	202189174	/nfs/dbraw/zinc/18/91/74/202189174.db2.gz	JTJIKSNRWLSIER-MQVJKMGUSA-N	1	1	325.456	3.406	1	0		EGAFMO
c1c[nH]c(CN2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)n1	ZINC000015064097	203274943	/nfs/dbraw/zinc/27/49/43/203274943.db2.gz	ALGHXOXAEWHOMI-FQEVSTJZSA-N	1	1	338.499	3.186	1	0		EGAFMO
Oc1ccc2c(c1)[C@@]13CCCC[C@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3	ZINC000003830349	560189828	/nfs/dbraw/zinc/18/98/28/560189828.db2.gz	IFKLAQQSCNILHL-HKBOAZHASA-N	1	1	327.468	3.366	1	0	in-vitro	EGAFMO
COc1cc(-c2nc(C[N@H+]3CC=CCC3)co2)cc(OC)c1OC	ZINC000072102068	203162669	/nfs/dbraw/zinc/16/26/69/203162669.db2.gz	WBXCNMBGHKOYRP-UHFFFAOYSA-N	1	1	330.384	3.129	1	0		EGAFMO
COc1cc(-c2nc(C[N@@H+]3CC=CCC3)co2)cc(OC)c1OC	ZINC000072102068	203162673	/nfs/dbraw/zinc/16/26/73/203162673.db2.gz	WBXCNMBGHKOYRP-UHFFFAOYSA-N	1	1	330.384	3.129	1	0		EGAFMO
NC(=O)c1cccc2[nH]c([C@@H]3CCC[N@H+](C4CCCC4)CC3)nc21	ZINC000040864902	581100611	/nfs/dbraw/zinc/10/06/11/581100611.db2.gz	BHQQKXGTQNEJFM-CYBMUJFWSA-N	1	1	326.444	3.174	1	0		EGAFMO
NC(=O)c1cccc2nc([C@@H]3CCC[N@@H+](C4CCCC4)CC3)[nH]c21	ZINC000040864902	581100612	/nfs/dbraw/zinc/10/06/12/581100612.db2.gz	BHQQKXGTQNEJFM-CYBMUJFWSA-N	1	1	326.444	3.174	1	0		EGAFMO
NC(=O)c1cccc2nc([C@@H]3CCC[N@H+](C4CCCC4)CC3)[nH]c21	ZINC000040864902	581100613	/nfs/dbraw/zinc/10/06/13/581100613.db2.gz	BHQQKXGTQNEJFM-CYBMUJFWSA-N	1	1	326.444	3.174	1	0		EGAFMO
COc1cccc(-c2cn(-c3cccc(CO)c3)c3nc[nH+]c(N)c23)c1	ZINC000003815391	210076401	/nfs/dbraw/zinc/07/64/01/210076401.db2.gz	DHKJMXHLKKNTKJ-UHFFFAOYSA-N	1	1	346.390	3.171	1	0		EGAFMO
O=C1c2ccccc2CC[C@H]1C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022933178	202094714	/nfs/dbraw/zinc/09/47/14/202094714.db2.gz	XBLBQWNQIGPMRE-FQEVSTJZSA-N	1	1	334.463	3.250	1	0		EGAFMO
CN1CCC[N@@H+](CCn2ccc3ccc(C(F)(F)F)cc32)CC1	ZINC000022939911	202095760	/nfs/dbraw/zinc/09/57/60/202095760.db2.gz	WMVRLHZMOIYJRE-UHFFFAOYSA-N	1	1	325.378	3.298	1	0		EGAFMO
C[N@@H+]1CCCN(CCn2ccc3ccc(C(F)(F)F)cc32)CC1	ZINC000022939911	202095764	/nfs/dbraw/zinc/09/57/64/202095764.db2.gz	WMVRLHZMOIYJRE-UHFFFAOYSA-N	1	1	325.378	3.298	1	0		EGAFMO
C[N@H+]1CCCN(CCn2ccc3ccc(C(F)(F)F)cc32)CC1	ZINC000022939911	202095767	/nfs/dbraw/zinc/09/57/67/202095767.db2.gz	WMVRLHZMOIYJRE-UHFFFAOYSA-N	1	1	325.378	3.298	1	0		EGAFMO
Cc1[nH+]cn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C	ZINC000029485132	202188402	/nfs/dbraw/zinc/18/84/02/202188402.db2.gz	FGOUEWXNKDCSJT-UHFFFAOYSA-N	1	1	333.435	3.362	1	0		EGAFMO
Nc1nc(N)c(Cc2ccc(OCCCc3ccccc3)cc2)c[nH+]1	ZINC000005974507	201361732	/nfs/dbraw/zinc/36/17/32/201361732.db2.gz	FRAJNIZEYIIIAQ-UHFFFAOYSA-N	1	1	334.423	3.243	1	0		EGAFMO
C[NH+]1CCN(C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1	ZINC000026668345	202146181	/nfs/dbraw/zinc/14/61/81/202146181.db2.gz	URZPDWAADSKBHJ-WWPVKYPJSA-N	1	1	348.490	3.452	1	0		EGAFMO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCN[C@@H](C)C3)[C@@H]12	ZINC000028012723	202163618	/nfs/dbraw/zinc/16/36/18/202163618.db2.gz	OFAPIFLQCMZNOL-NIPLRTIXSA-N	1	1	348.531	3.064	1	0		EGAFMO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@H+]3CCN[C@@H](C)C3)[C@@H]12	ZINC000028012723	202163620	/nfs/dbraw/zinc/16/36/20/202163620.db2.gz	OFAPIFLQCMZNOL-NIPLRTIXSA-N	1	1	348.531	3.064	1	0		EGAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccccn3)cc1)[N@H+]2C	ZINC000028565507	202172365	/nfs/dbraw/zinc/17/23/65/202172365.db2.gz	GGSMUQJJLOHRLS-ONCXSQPRSA-N	1	1	336.435	3.488	1	0		EGAFMO
CC[NH+](CC)C[C@H](c1ccccc1C(F)(F)F)N1CCN(C)CC1	ZINC000028526829	202172578	/nfs/dbraw/zinc/17/25/78/202172578.db2.gz	IXSIXHASDGLFGV-QGZVFWFLSA-N	1	1	343.437	3.336	1	0		EGAFMO
C[C@H]1CC(=O)C[C@@]23CC[N@@H+](CC4CC4)[C@@H](Cc4ccc(O)cc42)[C@@H]13	ZINC000029318727	202184276	/nfs/dbraw/zinc/18/42/76/202184276.db2.gz	LHBKJDAAKOBCFF-KAIZKOENSA-N	1	1	325.452	3.286	1	0		EGAFMO
COc1ccc2c3c1O[C@H]1c4oc(C)cc4C[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314	ZINC000029230962	202183296	/nfs/dbraw/zinc/18/32/96/202183296.db2.gz	BQHDNRWYTDCCBR-UGCQDJOBSA-N	1	1	337.419	3.401	1	0		EGAFMO
Oc1ccc2c(c1)-c1c(c3ccccc3n1CC[NH+]1CCOCC1)CC2	ZINC000031896127	202212356	/nfs/dbraw/zinc/21/23/56/202212356.db2.gz	VJXJWENCODNZRE-UHFFFAOYSA-N	1	1	348.446	3.445	1	0		EGAFMO
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCC[C@H]12	ZINC000028524103	202171132	/nfs/dbraw/zinc/17/11/32/202171132.db2.gz	WIQUOWNSAPQDKI-RBUKOAKNSA-N	1	1	337.467	3.253	1	0		EGAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2cccn(C)c2=O)cc1	ZINC000073159420	203258823	/nfs/dbraw/zinc/25/88/23/203258823.db2.gz	BDBQDYBQZMQOOA-MRXNPFEDSA-N	1	1	326.440	3.306	1	0		EGAFMO
Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](CCc2ccccc2)C[C@@H]3O)c1	ZINC000073292440	203262768	/nfs/dbraw/zinc/26/27/68/203262768.db2.gz	RYGOAYGVHBVXQE-ILWGZMRPSA-N	1	1	337.463	3.492	1	0		EGAFMO
CC1=C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)[C@H]4OCC[N@H+]4[C@@H]5[C@H]2C[C@H]1C[C@H]36	ZINC000095918717	560054415	/nfs/dbraw/zinc/05/44/15/560054415.db2.gz	UUSVVFZDHJBYKC-YFDYARAVSA-N	1	1	339.479	3.395	1	0	biogenic,in-vitro	EGAFMO
C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000013491359	581094842	/nfs/dbraw/zinc/09/48/42/581094842.db2.gz	DUKNIHFTDAXJON-DZDCQFRTSA-N	1	1	335.451	3.047	1	0		EGAFMO
NC(=O)c1cc(F)cc2nc(-c3ccc([C@H]4CCCC[NH2+]4)cc3)[nH]c21	ZINC000049066644	581100886	/nfs/dbraw/zinc/10/08/86/581100886.db2.gz	JYZNVPGMEAGFPG-OAHLLOKOSA-N	1	1	338.386	3.283	1	0		EGAFMO
O=c1nc2c(c3[nH]c(-c4ccccc4F)cn31)C[N@@H+](CC1CC1)CC2	ZINC000100928853	219112052	/nfs/dbraw/zinc/11/20/52/219112052.db2.gz	MPWAPKMGKXJWBD-UHFFFAOYSA-N	1	1	338.386	3.009	1	0		EGAFMO
Oc1cccc([C@]23CCC[C@H]([C@H]2O)[N@H+](CCc2ccccc2)CC3)c1	ZINC000028710329	212633247	/nfs/dbraw/zinc/63/32/47/212633247.db2.gz	YJDWRJHIVSZYJV-YPAWHYETSA-N	1	1	337.463	3.492	1	0		EGAFMO
COc1cccc(Cn2cc[nH+]c2C[C@@H]2COc3ccccc3O2)c1	ZINC000027744438	212575661	/nfs/dbraw/zinc/57/56/61/212575661.db2.gz	LGOXLYITLAZHAX-QGZVFWFLSA-N	1	1	336.391	3.323	1	0		EGAFMO
CCC[C@](O)(CC[NH+]1CCOCC1)c1ccc(Br)cc1	ZINC000021348191	212221350	/nfs/dbraw/zinc/22/13/50/212221350.db2.gz	NHJFALXWESPYPR-INIZCTEOSA-N	1	1	342.277	3.159	3	0		EGAFMO
CC[NH+]1CCN([C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1	ZINC000020108542	212102188	/nfs/dbraw/zinc/10/21/88/212102188.db2.gz	JOZRJGRRCAZKBP-GOSISDBHSA-N	1	1	349.906	3.077	3	0		EGAFMO
CCc1c(Sc2cccc3cccnc32)[nH]c2nc(N)[nH+]c(N)c21	ZINC000014967451	581093311	/nfs/dbraw/zinc/09/33/11/581093311.db2.gz	QNAXVTNLXFHEBW-UHFFFAOYSA-N	1	1	336.424	3.384	1	0		EGAFMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccc(F)cc2)C1	ZINC000040977261	1291411899	/nfs/dbraw/zinc/41/18/99/1291411899.db2.gz	CUPLVGMPOUXCKN-DLBZAZTESA-N	1	1	326.415	3.039	1	0		EGAFMO
O=C(Oc1ccc(Br)cc1)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000084708159	1292708921	/nfs/dbraw/zinc/70/89/21/1292708921.db2.gz	NEQLCLMTLRLIDI-CYBMUJFWSA-N	1	1	339.233	3.118	1	0		EGAFMO
C[N@H+]1CCCN(CCn2ccc3cccc(Br)c32)CC1	ZINC000022940006	212338567	/nfs/dbraw/zinc/33/85/67/212338567.db2.gz	BRQXDKAJEKLOHW-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
[NH3+]Cc1noc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)n1	ZINC000040876694	213396505	/nfs/dbraw/zinc/39/65/05/213396505.db2.gz	ZGIXYZWZFRYWHE-UHFFFAOYSA-N	1	1	339.786	3.247	1	0		EGAFMO
COc1cc2c(cc1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3	ZINC000014511241	560222235	/nfs/dbraw/zinc/22/22/35/560222235.db2.gz	MNYYCWDTJBJERS-CQSZACIVSA-N	1	1	341.407	3.170	1	0	biogenic,in-vitro	EGAFMO
COc1cc2c(cc1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3	ZINC000014511241	560222236	/nfs/dbraw/zinc/22/22/36/560222236.db2.gz	MNYYCWDTJBJERS-CQSZACIVSA-N	1	1	341.407	3.170	1	0	biogenic,in-vitro	EGAFMO
C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1	ZINC000027431636	581094808	/nfs/dbraw/zinc/09/48/08/581094808.db2.gz	DUKNIHFTDAXJON-AEVLCDIHSA-N	1	1	335.451	3.047	1	0		EGAFMO
O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C[NH+]1CCOCC1	ZINC000103267791	219279163	/nfs/dbraw/zinc/27/91/63/219279163.db2.gz	AIKJCZAUVKYLRC-AQNXPRMDSA-N	1	1	337.419	3.017	1	0		EGAFMO
COc1ccc2c3c1O[C@H]1c4oc(C)cc4C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000040670315	213366361	/nfs/dbraw/zinc/36/63/61/213366361.db2.gz	BQHDNRWYTDCCBR-YQMDMEMYSA-N	1	1	337.419	3.401	1	0		EGAFMO
CN1CCC[N@@H+](CCn2ccc3cc(Br)ccc32)CC1	ZINC000022939901	212337151	/nfs/dbraw/zinc/33/71/51/212337151.db2.gz	SGZRPVACMJUUAK-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@@H+]1CCCN(CCn2ccc3cc(Br)ccc32)CC1	ZINC000022939901	212337154	/nfs/dbraw/zinc/33/71/54/212337154.db2.gz	SGZRPVACMJUUAK-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@H+]1CCCN(CCn2ccc3cc(Br)ccc32)CC1	ZINC000022939901	212337157	/nfs/dbraw/zinc/33/71/57/212337157.db2.gz	SGZRPVACMJUUAK-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
O=C(NC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1cccs1	ZINC000011813443	211249389	/nfs/dbraw/zinc/24/93/89/211249389.db2.gz	XJNQGBIUDRSYCA-HNNXBMFYSA-N	1	1	340.492	3.357	3	0		EGAFMO
C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022459917	212297698	/nfs/dbraw/zinc/29/76/98/212297698.db2.gz	FMANCDFISXCUPC-QAPCUYQASA-N	1	1	349.544	3.122	3	0		EGAFMO
CN1C2=N[C@@H]3C=CC=C[C@H]3C2=C(N2CCC[N@@H+](C)CC2)c2ccccc21	ZINC000169301256	530046622	/nfs/dbraw/zinc/04/66/22/530046622.db2.gz	MJLWWTBAXVQCHQ-SJLPKXTDSA-N	1	1	346.478	3.008	1	0		EGAFMO
C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3oc(C4CC4)nc31)C2	ZINC000103266998	219278819	/nfs/dbraw/zinc/27/88/19/219278819.db2.gz	SFVKVHVOODTRCH-QKDCVEJESA-N	1	1	339.439	3.450	1	0		EGAFMO
OC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072185918	216066962	/nfs/dbraw/zinc/06/69/62/216066962.db2.gz	IIZMOZQQOYEMMW-INIZCTEOSA-N	1	1	337.345	3.042	1	0		EGAFMO
Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](CCc2ccccc2)C[C@H]3O)c1	ZINC000073292444	216373834	/nfs/dbraw/zinc/37/38/34/216373834.db2.gz	RYGOAYGVHBVXQE-KSEOMHKRSA-N	1	1	337.463	3.492	1	0		EGAFMO
COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c(OC)c1	ZINC000012305701	211340471	/nfs/dbraw/zinc/34/04/71/211340471.db2.gz	XKQDIEPSYOLYHY-MRXNPFEDSA-N	1	1	340.423	3.194	1	0		EGAFMO
COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c(OC)c1	ZINC000012305701	211340476	/nfs/dbraw/zinc/34/04/76/211340476.db2.gz	XKQDIEPSYOLYHY-MRXNPFEDSA-N	1	1	340.423	3.194	1	0		EGAFMO
COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]2[N@@H+](C)C1	ZINC000169312023	533075313	/nfs/dbraw/zinc/07/53/13/533075313.db2.gz	LTGIFHAPVOBYNS-HFTRVMKXSA-N	1	1	326.440	3.355	1	0		EGAFMO
COc1ccc(C[C@H]2c3cc(O)c(OC)cc3C=C[N@H+]2C)cc1O	ZINC000069482333	560078372	/nfs/dbraw/zinc/07/83/72/560078372.db2.gz	HLEWKCOLTVQJDS-HNNXBMFYSA-N	1	1	327.380	3.315	1	0	biogenic,in-vitro	EGAFMO
COc1ccc(C[C@H]2c3cc(O)c(OC)cc3C=C[N@@H+]2C)cc1O	ZINC000069482333	560078374	/nfs/dbraw/zinc/07/83/74/560078374.db2.gz	HLEWKCOLTVQJDS-HNNXBMFYSA-N	1	1	327.380	3.315	1	0	biogenic,in-vitro	EGAFMO
COc1cc2c(cc1OC)[C@@H]1C[N@@H+](C)[C@H](C2)c2cc3c(cc21)OCO3	ZINC000014421006	560221274	/nfs/dbraw/zinc/22/12/74/560221274.db2.gz	CHGJYZLWIIUFAG-JKSUJKDBSA-N	1	1	339.391	3.107	1	0	biogenic,in-vitro	EGAFMO
CN1C2=N[C@H]3C=CC=C[C@@H]3C2=C(N2CCC[N@@H+](C)CC2)c2ccccc21	ZINC000169301254	530046667	/nfs/dbraw/zinc/04/66/67/530046667.db2.gz	MJLWWTBAXVQCHQ-WMZOPIPTSA-N	1	1	346.478	3.008	1	0		EGAFMO
COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)[N@@H+](C)CC2	ZINC000040556785	213350886	/nfs/dbraw/zinc/35/08/86/213350886.db2.gz	MTXCEBJJKJATFS-MRXNPFEDSA-N	1	1	341.407	3.204	1	0		EGAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(C2=NNC(=O)CC2(C)C)cc1	ZINC000073224203	216366970	/nfs/dbraw/zinc/36/69/70/216366970.db2.gz	IOBNDNZQHVJSNG-OAHLLOKOSA-N	1	1	343.471	3.190	1	0		EGAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(Br)c1)[N@H+]2C	ZINC000013826346	211646585	/nfs/dbraw/zinc/64/65/85/211646585.db2.gz	ORJOVSLDGBGQAL-YJNKXOJESA-N	1	1	338.245	3.188	1	0		EGAFMO
CCC[N@@H+]1CCC(=O)N([C@H](COc2ccccc2)CC(C)C)CC1	ZINC000012474469	211391003	/nfs/dbraw/zinc/39/10/03/211391003.db2.gz	OTNBVRFZNNLZFI-SFHVURJKSA-N	1	1	332.488	3.424	3	0		EGAFMO
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]2[N@@H+](C)C1	ZINC000169312021	533547241	/nfs/dbraw/zinc/54/72/41/533547241.db2.gz	LTGIFHAPVOBYNS-LESCRADOSA-N	1	1	326.440	3.355	1	0		EGAFMO
C[NH+]1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1	ZINC000027105152	212546421	/nfs/dbraw/zinc/54/64/21/212546421.db2.gz	VUQLWEZYDIEMAG-IBGZPJMESA-N	1	1	327.859	3.170	1	0		EGAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2cccc(=O)n2C)cc1	ZINC000073159415	216358150	/nfs/dbraw/zinc/35/81/50/216358150.db2.gz	CDBMTHSLJBFRAM-MRXNPFEDSA-N	1	1	326.440	3.306	1	0		EGAFMO
Clc1ccc(N2CC[NH+](Cc3ccc4ccnn4c3)CC2)cc1	ZINC000013863614	135703864	/nfs/dbraw/zinc/70/38/64/135703864.db2.gz	VQWRIGMLIDJHJV-UHFFFAOYSA-N	1	1	326.831	3.310	1	0		EGAFMO
Cc1cc(C)cc(Cn2nc(-c3nc(C[NH3+])no3)c3ccccc32)c1	ZINC000040833683	213390958	/nfs/dbraw/zinc/39/09/58/213390958.db2.gz	DJBOMQYKACJXOD-UHFFFAOYSA-N	1	1	333.395	3.210	1	0		EGAFMO
Cc1[nH+]c2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C	ZINC000040431163	213303844	/nfs/dbraw/zinc/30/38/44/213303844.db2.gz	CBSTWWNKPZEYLR-UHFFFAOYSA-N	1	1	345.406	3.109	1	0		EGAFMO
CCc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)nc3C)CC2)cc1	ZINC000028713651	212633781	/nfs/dbraw/zinc/63/37/81/212633781.db2.gz	RVLMMJLZDYKQAI-UHFFFAOYSA-N	1	1	338.499	3.282	1	0		EGAFMO
Cc1nc(C[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1	ZINC000072433447	216228568	/nfs/dbraw/zinc/22/85/68/216228568.db2.gz	LJBAZYOVUAHUOP-UHFFFAOYSA-N	1	1	343.500	3.221	1	0		EGAFMO
CC(C)(C)C[N@H+]1CC[C@H](C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1	ZINC000020774452	212170210	/nfs/dbraw/zinc/17/02/10/212170210.db2.gz	NYCRJCUWQCQTHB-KRWDZBQOSA-N	1	1	345.487	3.007	1	0		EGAFMO
CSc1nccc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)n1	ZINC000299862280	1296778214	/nfs/dbraw/zinc/77/82/14/1296778214.db2.gz	MYMAFAMKSQCMAU-UHFFFAOYSA-N	1	1	346.475	3.438	1	0		EGAFMO
[NH3+]Cc1noc(-c2nn(Cc3cccc(Cl)c3)c3ccccc32)n1	ZINC000040874741	213396072	/nfs/dbraw/zinc/39/60/72/213396072.db2.gz	LPFNWKQJVMNEJE-UHFFFAOYSA-N	1	1	339.786	3.247	1	0		EGAFMO
O=C1OC2(CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c2ccccc21	ZINC000040430244	213303045	/nfs/dbraw/zinc/30/30/45/213303045.db2.gz	YCPYOJBHAKGTTA-UHFFFAOYSA-N	1	1	333.391	3.225	1	0		EGAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1c3c(ccc1Cl)CC(C)(C)O3)C2	ZINC000026936368	212540770	/nfs/dbraw/zinc/54/07/70/212540770.db2.gz	JGCCULDMNNKJIF-AGUYFDCRSA-N	1	1	348.874	3.409	1	0		EGAFMO
C[C@@H]1C[N@@H+](CCn2ccc3ccc(Br)cc32)C[C@H](C)N1	ZINC000022939976	212337276	/nfs/dbraw/zinc/33/72/76/212337276.db2.gz	SYRJGMVLKSMDSP-BETUJISGSA-N	1	1	336.277	3.086	1	0		EGAFMO
C[C@@H]1C[N@H+](CCn2ccc3ccc(Br)cc32)C[C@H](C)N1	ZINC000022939976	212337277	/nfs/dbraw/zinc/33/72/77/212337277.db2.gz	SYRJGMVLKSMDSP-BETUJISGSA-N	1	1	336.277	3.086	1	0		EGAFMO
Cc1ccc(COc2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1	ZINC000029053387	135742698	/nfs/dbraw/zinc/74/26/98/135742698.db2.gz	RWWSYZFWBKIOPV-UHFFFAOYSA-N	1	1	348.450	3.269	1	0		EGAFMO
CC(C)COc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1O	ZINC000005882036	581094021	/nfs/dbraw/zinc/09/40/21/581094021.db2.gz	NSUDDASMRZSVON-UHFFFAOYSA-N	1	1	342.374	3.393	1	0	in-vivo	EGAFMO
CN(C)C(=O)N[C@H]1CC[C@@H](CC[N@H+]2CCc3ccccc3C2)CC1	ZINC000100908807	219111304	/nfs/dbraw/zinc/11/13/04/219111304.db2.gz	UNJDLBOQEKJGAH-RUCARUNLSA-N	1	1	329.488	3.265	1	0		EGAFMO
C[C@H]1C[N@H+]2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075230	213006502	/nfs/dbraw/zinc/00/65/02/213006502.db2.gz	RVSPXGKTWMCWAK-YRISNDGFSA-N	1	1	340.467	3.469	1	0		EGAFMO
C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1	ZINC000027431914	581094831	/nfs/dbraw/zinc/09/48/31/581094831.db2.gz	DUKNIHFTDAXJON-IZSNYMMISA-N	1	1	335.451	3.047	1	0		EGAFMO
COc1cc(N)c(Cl)cc1C(=O)OCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000003824992	560189790	/nfs/dbraw/zinc/18/97/90/560189790.db2.gz	BUEFUOFMOXJXAR-TXEJJXNPSA-N	1	1	340.851	3.066	1	0	in-vitro	EGAFMO
C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000013491358	581094769	/nfs/dbraw/zinc/09/47/69/581094769.db2.gz	DUKNIHFTDAXJON-FCIKYMEBSA-N	1	1	335.451	3.047	1	0		EGAFMO
CC1(C)[NH2+]C(C)(C)c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)ccc21	ZINC000040407838	213300645	/nfs/dbraw/zinc/30/06/45/213300645.db2.gz	PHRYWTFZJOLORC-UHFFFAOYSA-N	1	1	334.423	3.402	1	0		EGAFMO
O=C(C[NH+]1CCCC1)NN1c2ccccc2Sc2ccccc21	ZINC000073163722	216359953	/nfs/dbraw/zinc/35/99/53/216359953.db2.gz	NUEOXSIDDNCRSA-UHFFFAOYSA-N	1	1	325.437	3.416	1	0		EGAFMO
CC[N@H+]1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049089760	581098309	/nfs/dbraw/zinc/09/83/09/581098309.db2.gz	PSMLCFXRXFWWAG-AWEZNQCLSA-N	1	1	344.480	3.181	1	0		EGAFMO
Cc1cc(C)cc(Cn2nc3ccccc3c2-c2nc(C[NH3+])no2)c1	ZINC000040835236	213392240	/nfs/dbraw/zinc/39/22/40/213392240.db2.gz	LSLUEUFGHGWWDS-UHFFFAOYSA-N	1	1	333.395	3.210	1	0		EGAFMO
C[NH+]1CCN(C(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1	ZINC000103229279	219272157	/nfs/dbraw/zinc/27/21/57/219272157.db2.gz	YUKFRZFVEJITFH-NYLDSWQDSA-N	1	1	332.447	3.058	1	0		EGAFMO
C[N@H+]1CCC[C@@H]1[C@@H]1C[S@@](=O)C(c2ccccc2)(c2ccccc2)O1	ZINC000040430708	213303237	/nfs/dbraw/zinc/30/32/37/213303237.db2.gz	WKEGMVFSZKEMJV-IMWIBFENSA-N	1	1	341.476	3.129	1	0		EGAFMO
C[N@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1	ZINC000072177318	216065775	/nfs/dbraw/zinc/06/57/75/216065775.db2.gz	UEMBANHXOBGHAG-HNNXBMFYSA-N	1	1	340.448	3.297	1	0		EGAFMO
Cc1cccnc1N1CCC(c2[nH+]ccn2Cc2cscn2)CC1	ZINC000091550430	218020591	/nfs/dbraw/zinc/02/05/91/218020591.db2.gz	WUEFRGFQRLNUDJ-UHFFFAOYSA-N	1	1	339.468	3.475	1	0		EGAFMO
NC(=O)c1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1	ZINC000101363756	219124491	/nfs/dbraw/zinc/12/44/91/219124491.db2.gz	YUVVBGVQWMKSGU-ACDBMABISA-N	1	1	335.451	3.393	1	0		EGAFMO
COC(=O)N1CCC2(CCC[N@@H+](Cc3ccccc3OC)C2)CC1	ZINC000003955873	210095754	/nfs/dbraw/zinc/09/57/54/210095754.db2.gz	PAJSQIJTMBSDHL-UHFFFAOYSA-N	1	1	332.444	3.140	1	0		EGAFMO
CCOc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1	ZINC000067561240	215162145	/nfs/dbraw/zinc/16/21/45/215162145.db2.gz	UBKDMUHLFXFYLC-PZJWPPBQSA-N	1	1	340.467	3.296	1	0		EGAFMO
CC[C@@H]1[C@@H](C)C(=O)C[C@]23CC[N@@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13	ZINC000040670301	213366287	/nfs/dbraw/zinc/36/62/87/213366287.db2.gz	SOIRLXJJWMWZKS-IDSBWOBGSA-N	1	1	327.468	3.445	1	0		EGAFMO
CCNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](C)CC3	ZINC000036221670	213077647	/nfs/dbraw/zinc/07/76/47/213077647.db2.gz	ZNJDUQHDGFWNKK-ILZDJORESA-N	1	1	328.456	3.483	1	0	in-vivo	EGAFMO
[NH3+]CCCCN(Cc1cn2ccccc2n1)[C@H]1CCCc2cccnc21	ZINC000035813688	213050957	/nfs/dbraw/zinc/05/09/57/213050957.db2.gz	IKLZGHCMOLBHGR-IBGZPJMESA-N	1	1	349.482	3.348	1	0		EGAFMO
C[C@@H]1C[NH+](CCn2ccc3ccc(Br)cc32)C[C@@H](C)N1	ZINC000022939972	212338531	/nfs/dbraw/zinc/33/85/31/212338531.db2.gz	SYRJGMVLKSMDSP-CHWSQXEVSA-N	1	1	336.277	3.086	1	0		EGAFMO
COc1cc2[nH+]c(N3CCCCC3)nc(NC(C)C)c2cc1OC	ZINC000036382500	536894980	/nfs/dbraw/zinc/89/49/80/536894980.db2.gz	MUUSPIVEKLPMPE-UHFFFAOYSA-N	1	1	330.432	3.458	1	0		EGAFMO
COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCN(C)CC3)cc2)cc1	ZINC000220945801	1296126794	/nfs/dbraw/zinc/12/67/94/1296126794.db2.gz	FAYIZHYBIYZTTN-UHFFFAOYSA-N	1	1	338.451	3.278	1	0		EGAFMO
COC(=O)c1ccc(-c2ccc(CN3CCC[N@H+](C)CC3)cc2)cc1	ZINC000220945801	1296126798	/nfs/dbraw/zinc/12/67/98/1296126798.db2.gz	FAYIZHYBIYZTTN-UHFFFAOYSA-N	1	1	338.451	3.278	1	0		EGAFMO
COC(=O)c1ccc(-c2ccc(CN3CCC[N@@H+](C)CC3)cc2)cc1	ZINC000220945801	1296126801	/nfs/dbraw/zinc/12/68/01/1296126801.db2.gz	FAYIZHYBIYZTTN-UHFFFAOYSA-N	1	1	338.451	3.278	1	0		EGAFMO
COc1ccc(/C=C2\N=C(SC)N(C[NH+]3CCCCC3)C2=O)cc1	ZINC000031872385	212755646	/nfs/dbraw/zinc/75/56/46/212755646.db2.gz	IVIFDIXHPZKVHL-VBKFSLOCSA-N	1	1	345.468	3.041	1	0		EGAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(Br)c1)[N@H+]2C	ZINC000027995086	212594180	/nfs/dbraw/zinc/59/41/80/212594180.db2.gz	ORJOVSLDGBGQAL-GBJTYRQASA-N	1	1	338.245	3.188	1	0		EGAFMO
CC[C@H]1[N@@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC	ZINC000299842510	1296777507	/nfs/dbraw/zinc/77/75/07/1296777507.db2.gz	HLKKPSKENTXJCE-QUCCMNQESA-N	1	1	348.462	3.208	1	0		EGAFMO
NC(=O)c1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000101363813	219124532	/nfs/dbraw/zinc/12/45/32/219124532.db2.gz	VZUNLOUVARCFRX-PIIMJCKOSA-N	1	1	336.435	3.360	1	0		EGAFMO
Cc1c(=O)c2cc(N3CC[NH+](C)CC3)ccc2[nH]c1-c1ccccc1	ZINC000072114578	216011512	/nfs/dbraw/zinc/01/15/12/216011512.db2.gz	YKTLZQSEVADCIU-UHFFFAOYSA-N	1	1	333.435	3.255	1	0		EGAFMO
C[NH+]1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1	ZINC000072182926	216067363	/nfs/dbraw/zinc/06/73/63/216067363.db2.gz	SLHQGCDITNBJLZ-UHFFFAOYSA-N	1	1	326.227	3.396	1	0		EGAFMO
COc1ccc2c3c1O[C@H]1c4[nH]c(C)cc4C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000169304919	533323401	/nfs/dbraw/zinc/32/34/01/533323401.db2.gz	AZFVBLNULSJPKC-RPQNVMPDSA-N	1	1	336.435	3.136	1	0		EGAFMO
Cc1c2ccccc2sc1C[NH+]1CCN(C(=O)NC(C)C)CC1	ZINC000042921581	213541810	/nfs/dbraw/zinc/54/18/10/213541810.db2.gz	AVFZEBZNXTWSSH-UHFFFAOYSA-N	1	1	331.485	3.445	1	0		EGAFMO
C[NH+]1CCN(C(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)CC1	ZINC000103229281	219272337	/nfs/dbraw/zinc/27/23/37/219272337.db2.gz	YUKFRZFVEJITFH-KBWCOIMZSA-N	1	1	332.447	3.058	1	0		EGAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1	ZINC000073168729	216359883	/nfs/dbraw/zinc/35/98/83/216359883.db2.gz	MCNAJLPLCULBOJ-MRXNPFEDSA-N	1	1	326.440	3.306	1	0		EGAFMO
COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)c(OC)c1	ZINC000012305703	211339857	/nfs/dbraw/zinc/33/98/57/211339857.db2.gz	XKQDIEPSYOLYHY-INIZCTEOSA-N	1	1	340.423	3.194	1	0		EGAFMO
COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccncc3)C2)c(OC)c1	ZINC000012305703	211339864	/nfs/dbraw/zinc/33/98/64/211339864.db2.gz	XKQDIEPSYOLYHY-INIZCTEOSA-N	1	1	340.423	3.194	1	0		EGAFMO
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2[N@H+]1Cc1ccc(C(C)(C)C)cc1	ZINC000008860381	211012794	/nfs/dbraw/zinc/01/27/94/211012794.db2.gz	PIGAVMPGGQBFFK-LULLPPNCSA-N	1	1	345.483	3.261	3	0		EGAFMO
O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[N@H+](C2CC2)CC1	ZINC000053226775	214171023	/nfs/dbraw/zinc/17/10/23/214171023.db2.gz	HDCILHQMVLSSKP-UHFFFAOYSA-N	1	1	337.423	3.184	1	0		EGAFMO
NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1	ZINC000101363785	219123712	/nfs/dbraw/zinc/12/37/12/219123712.db2.gz	MXQRIZAKRVYJHN-RUYXUALKSA-N	1	1	336.435	3.360	1	0		EGAFMO
O[C@]1(c2ccc(Cl)cc2)CC[N@@H+](Cc2c[nH]c3ncccc23)C1	ZINC000040861980	213394304	/nfs/dbraw/zinc/39/43/04/213394304.db2.gz	BUOWMBFFJAPTLV-GOSISDBHSA-N	1	1	327.815	3.310	1	0		EGAFMO
CCC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(Br)cc1	ZINC000021348184	212221318	/nfs/dbraw/zinc/22/13/18/212221318.db2.gz	NHJFALXWESPYPR-MRXNPFEDSA-N	1	1	342.277	3.159	3	0		EGAFMO
CC(C)(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1	ZINC000020774450	212170758	/nfs/dbraw/zinc/17/07/58/212170758.db2.gz	NYCRJCUWQCQTHB-QGZVFWFLSA-N	1	1	345.487	3.007	1	0		EGAFMO
C[C@@H](OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO)c1ccc(Cl)cc1	ZINC000006940190	258052845	/nfs/dbraw/zinc/05/28/45/258052845.db2.gz	RRQYSZVQNSEVRF-OLMNPRSZSA-N	1	1	341.879	3.015	1	0		EGAFMO
COc1ccccc1CN1CCC[N@@H+](Cc2ccccc2OC)CC1	ZINC000023247649	212363160	/nfs/dbraw/zinc/36/31/60/212363160.db2.gz	SVDVJTMCOCEVGV-UHFFFAOYSA-N	1	1	340.467	3.412	1	0		EGAFMO
Cc1cccc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n1	ZINC000019794960	212069207	/nfs/dbraw/zinc/06/92/07/212069207.db2.gz	LVXLJBFWDYBXFZ-UHFFFAOYSA-N	1	1	349.390	3.332	1	0		EGAFMO
Cc1cccc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n1	ZINC000019794960	212069210	/nfs/dbraw/zinc/06/92/10/212069210.db2.gz	LVXLJBFWDYBXFZ-UHFFFAOYSA-N	1	1	349.390	3.332	1	0		EGAFMO
C[N@@H+]1[C@@H]2CC[C@H]1CN(c1ncnc3c4cc(Cl)ccc4oc31)C2	ZINC000035978647	132390759	/nfs/dbraw/zinc/39/07/59/132390759.db2.gz	UHSBYBSNAGJIDG-TXEJJXNPSA-N	1	1	328.803	3.312	1	0		EGAFMO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2CC(=O)N(C)c1ccccc1	ZINC000004058062	210108788	/nfs/dbraw/zinc/10/87/88/210108788.db2.gz	ZELVKWOOZROPCQ-FPOVZHCZSA-N	1	1	349.478	3.266	3	0		EGAFMO
C[N@H+]1CCC[C@H]1CCn1ccc(-c2cccc(-c3cncnc3)c2)n1	ZINC000020209092	212112210	/nfs/dbraw/zinc/11/22/10/212112210.db2.gz	CDWAAYNSJBCGGJ-IBGZPJMESA-N	1	1	333.439	3.491	1	0		EGAFMO
O=C(NCCCc1ccccc1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1	ZINC000205431719	1296092869	/nfs/dbraw/zinc/09/28/69/1296092869.db2.gz	ZAPSIFHAHIBDRC-UHFFFAOYSA-N	1	1	349.478	3.289	1	0		EGAFMO
O=C(NCCCc1ccccc1)N1CC2(CC[N@H+]2Cc2ccccc2)C1	ZINC000205431719	1296092884	/nfs/dbraw/zinc/09/28/84/1296092884.db2.gz	ZAPSIFHAHIBDRC-UHFFFAOYSA-N	1	1	349.478	3.289	1	0		EGAFMO
CC[NH+](CC)C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(C)CC1	ZINC000028526837	202172350	/nfs/dbraw/zinc/17/23/50/202172350.db2.gz	CNVGQBJQJKAOGI-KRWDZBQOSA-N	1	1	343.437	3.336	1	0		EGAFMO
CC[NH+]1CCN(C(=S)Nc2ccnc3cc(Cl)ccc32)CC1	ZINC000028950263	202179726	/nfs/dbraw/zinc/17/97/26/202179726.db2.gz	NMHPSQGKQPIZHM-UHFFFAOYSA-N	1	1	334.876	3.223	1	0		EGAFMO
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Br)cc1)[N@H+]2C	ZINC000036270804	202319894	/nfs/dbraw/zinc/31/98/94/202319894.db2.gz	HNVGNUVAMRLMSG-APIJFGDWSA-N	1	1	338.245	3.188	1	0		EGAFMO
Nc1nc(N)c2cc(NC(=O)Cc3ccc4ccccc4c3)ccc2[nH+]1	ZINC000025970866	201383788	/nfs/dbraw/zinc/38/37/88/201383788.db2.gz	FUIQKBMIYCFQGZ-UHFFFAOYSA-N	1	1	343.390	3.129	1	0		EGAFMO
CCc1[nH+]ccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000029481835	201387794	/nfs/dbraw/zinc/38/77/94/201387794.db2.gz	KJIUYOWIHUZEIV-UHFFFAOYSA-N	1	1	333.435	3.307	1	0		EGAFMO
C[C@@H]1CCC[N@H+]1CCCOc1ccc(-c2ccn(C)c(=O)c2)cc1	ZINC000073168732	203258504	/nfs/dbraw/zinc/25/85/04/203258504.db2.gz	NJLMTCGYPBTHBH-MRXNPFEDSA-N	1	1	326.440	3.306	1	0		EGAFMO
NC(=O)c1cccc2[nH]c([C@H]3CCC[N@H+](C4CCCC4)CC3)nc21	ZINC000040864905	581100588	/nfs/dbraw/zinc/10/05/88/581100588.db2.gz	BHQQKXGTQNEJFM-ZDUSSCGKSA-N	1	1	326.444	3.174	1	0		EGAFMO
NC(=O)c1cccc2nc([C@H]3CCC[N@@H+](C4CCCC4)CC3)[nH]c21	ZINC000040864905	581100589	/nfs/dbraw/zinc/10/05/89/581100589.db2.gz	BHQQKXGTQNEJFM-ZDUSSCGKSA-N	1	1	326.444	3.174	1	0		EGAFMO
NC(=O)c1cccc2nc([C@H]3CCC[N@H+](C4CCCC4)CC3)[nH]c21	ZINC000040864905	581100590	/nfs/dbraw/zinc/10/05/90/581100590.db2.gz	BHQQKXGTQNEJFM-ZDUSSCGKSA-N	1	1	326.444	3.174	1	0		EGAFMO
C[NH+]1CCN(c2ccc3nc(-c4ccc(F)c(F)c4)[nH]c3c2)CC1	ZINC000587145738	1298053099	/nfs/dbraw/zinc/05/30/99/1298053099.db2.gz	QWOOOHIYRFGIHY-UHFFFAOYSA-N	1	1	328.366	3.260	1	0		EGAFMO
Brc1ccc2ccn(CCN3CC[N@H+]4CCC[C@@H]4C3)c2c1	ZINC000022939983	202095110	/nfs/dbraw/zinc/09/51/10/202095110.db2.gz	HPYBBMHRDSJCIB-MRXNPFEDSA-N	1	1	348.288	3.184	1	0		EGAFMO
C[N@H+]1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1	ZINC000026839565	202149261	/nfs/dbraw/zinc/14/92/61/202149261.db2.gz	SSAFFXFMDGWVGO-UHFFFAOYSA-N	1	1	325.437	3.227	1	0		EGAFMO
CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccn3C)c1)[N@H+]2C	ZINC000027527187	202156269	/nfs/dbraw/zinc/15/62/69/202156269.db2.gz	OQJPSRDMUHEIGX-ISARSNTHSA-N	1	1	326.440	3.308	1	0		EGAFMO
CC[NH+](CC)C[C@H](c1cccc(C(F)(F)F)c1)N1CCN(C)CC1	ZINC000028526835	202172204	/nfs/dbraw/zinc/17/22/04/202172204.db2.gz	CNVGQBJQJKAOGI-QGZVFWFLSA-N	1	1	343.437	3.336	1	0		EGAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccccn3)cc1)[N@H+]2C	ZINC000028565505	202173096	/nfs/dbraw/zinc/17/30/96/202173096.db2.gz	GGSMUQJJLOHRLS-CUDHKJQZSA-N	1	1	336.435	3.488	1	0		EGAFMO
C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@H+]3CC2CC2)CC1=O	ZINC000029219902	202182834	/nfs/dbraw/zinc/18/28/34/202182834.db2.gz	QZAHEMXNNCHNHX-WXOSOQMESA-N	1	1	325.452	3.286	1	0		EGAFMO
CC1=CC(C)(C)Nc2c1cc(Cc1c[nH+]c(N)nc1N)c1cccnc12	ZINC000029566041	202189761	/nfs/dbraw/zinc/18/97/61/202189761.db2.gz	PJABDBLAJSDQEX-UHFFFAOYSA-N	1	1	346.438	3.387	1	0		EGAFMO
[NH3+]CCCCN(Cc1cn2ccccc2n1)[C@@H]1CCCc2cccnc21	ZINC000035813687	202310281	/nfs/dbraw/zinc/31/02/81/202310281.db2.gz	IKLZGHCMOLBHGR-LJQANCHMSA-N	1	1	349.482	3.348	1	0		EGAFMO
Cc1cccc(Cc2nn(C[C@H]3CCC[N@@H+]3C)c(=O)c3ccccc32)c1	ZINC000071318749	203092914	/nfs/dbraw/zinc/09/29/14/203092914.db2.gz	YMFHXRKTKHBRIX-GOSISDBHSA-N	1	1	347.462	3.390	1	0		EGAFMO
COCc1ccc(O)cc1CC[N@@H+](C)[C@@H](C)[C@H](O)c1ccccc1	ZINC000085486958	560076100	/nfs/dbraw/zinc/07/61/00/560076100.db2.gz	KVIVHSUTDIVZMW-YWZLYKJASA-N	1	1	329.440	3.135	1	0	biogenic,in-vitro	EGAFMO
Cc1[nH+]ccn1CC[C@@](C(N)=O)(c1ccccc1)c1ccc(C)cc1	ZINC000026284106	202142034	/nfs/dbraw/zinc/14/20/34/202142034.db2.gz	DVXYCISFEOBNGC-OAQYLSRUSA-N	1	1	333.435	3.362	1	0		EGAFMO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@H+]3CCC[C@H](O)C3)[C@@H]12	ZINC000028016614	202164842	/nfs/dbraw/zinc/16/48/42/202164842.db2.gz	MPMBYCYHKVVBJT-ONDWCAEFSA-N	1	1	349.515	3.227	1	0		EGAFMO
CCOc1cc(Cc2c[nH+]c(N)nc2N)cc2c1NC(C)(C)C=C2C	ZINC000029565790	202189042	/nfs/dbraw/zinc/18/90/42/202189042.db2.gz	DQPUBTQFXJVGQW-UHFFFAOYSA-N	1	1	339.443	3.238	1	0		EGAFMO
CC1(C)[NH2+]C(C)(C)c2sc(-c3nc4cccc(C(N)=O)c4[nH]3)cc21	ZINC000036375199	202323364	/nfs/dbraw/zinc/32/33/64/202323364.db2.gz	JLZVGUKETWQLKR-UHFFFAOYSA-N	1	1	340.452	3.464	1	0		EGAFMO
NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCCC2)c1	ZINC000101366422	204004730	/nfs/dbraw/zinc/00/47/30/204004730.db2.gz	ALLBEOBPSZQTFY-IZZQQSIFSA-N	1	1	328.456	3.492	1	0		EGAFMO
Cn1ccnc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2	ZINC000011664002	211231619	/nfs/dbraw/zinc/23/16/19/211231619.db2.gz	WDTIWHLWNIQDTC-FQEVSTJZSA-N	1	1	342.462	3.047	1	0		EGAFMO
Cc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@H](NC(=O)C(C)(C)C)C[N@@H+]1C	ZINC000003802834	210075233	/nfs/dbraw/zinc/07/52/33/210075233.db2.gz	ZNMWUMGOSWLWOH-FDQGKXFDSA-N	1	1	339.483	3.351	1	0		EGAFMO
NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1	ZINC000101363732	204005053	/nfs/dbraw/zinc/00/50/53/204005053.db2.gz	NBLFFMILGMAYPO-OPVJXMOQSA-N	1	1	336.435	3.360	1	0		EGAFMO
Clc1ccc2c(c1)nccc2-n1cc(C[NH+]2CCCCC2)nn1	ZINC000103270089	204070137	/nfs/dbraw/zinc/07/01/37/204070137.db2.gz	PXHMDSOIWQJCNS-UHFFFAOYSA-N	1	1	327.819	3.455	1	0		EGAFMO
O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1C[NH+]1CCOCC1	ZINC000103267794	204070260	/nfs/dbraw/zinc/07/02/60/204070260.db2.gz	AIKJCZAUVKYLRC-XUVXKRRUSA-N	1	1	337.419	3.017	1	0		EGAFMO
Clc1ccc(CO[C@@]2(C3=[NH+]CCN3)COc3ccccc3O2)cc1	ZINC000026003358	202138301	/nfs/dbraw/zinc/13/83/01/202138301.db2.gz	UOUGCBRTMRDAPB-SFHVURJKSA-N	1	1	344.798	3.026	1	0		EGAFMO
C[NH+]1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1	ZINC000027105150	202151274	/nfs/dbraw/zinc/15/12/74/202151274.db2.gz	VUQLWEZYDIEMAG-LJQANCHMSA-N	1	1	327.859	3.170	1	0		EGAFMO
COc1ccc(C[N@@H+](CCCC[NH3+])Cc2ccccc2)cc1OC	ZINC000027656588	202159167	/nfs/dbraw/zinc/15/91/67/202159167.db2.gz	PHXWUXRWITXEAP-UHFFFAOYSA-N	1	1	328.456	3.445	1	0		EGAFMO
COc1ccc2c(c1)Oc1cscc1C(N1CC[NH+](C)CC1)=N2	ZINC000029347837	202185997	/nfs/dbraw/zinc/18/59/97/202185997.db2.gz	DQRPDYSKVIYHCZ-UHFFFAOYSA-N	1	1	329.425	3.188	1	0		EGAFMO
C[NH+]1CCN(NCCN2c3ccccc3Sc3ccccc32)CC1	ZINC000033882174	202269902	/nfs/dbraw/zinc/26/99/02/202269902.db2.gz	MWUAENAQTGSUCO-UHFFFAOYSA-N	1	1	340.496	3.041	1	0		EGAFMO
C[C@H]1CC(=O)C[C@]23CC[N@@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13	ZINC000034347845	202272449	/nfs/dbraw/zinc/27/24/49/202272449.db2.gz	LHBKJDAAKOBCFF-DJJREKMQSA-N	1	1	325.452	3.286	1	0		EGAFMO
CC(=O)C[C@H]1c2cc(Cl)ccc2[NH+]=C(n2cncn2)N1C(C)C	ZINC000103176724	204064727	/nfs/dbraw/zinc/06/47/27/204064727.db2.gz	RPGHLTVXWVYGMA-HNNXBMFYSA-N	1	1	331.807	3.212	1	0		EGAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccnc3)cc1)[N@H+]2C	ZINC000028565881	202172997	/nfs/dbraw/zinc/17/29/97/202172997.db2.gz	NXORWCWVGVRNEV-NMLBUPMWSA-N	1	1	336.435	3.488	1	0		EGAFMO
C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@H+]3CC2CC2)CC1=O	ZINC000029218866	202182964	/nfs/dbraw/zinc/18/29/64/202182964.db2.gz	QZAHEMXNNCHNHX-YDUONIPWSA-N	1	1	325.452	3.286	1	0		EGAFMO
COc1ccc(C(=O)Oc2cc[nH+]c3cc(OC)cc(OC)c32)cc1	ZINC000045320668	202549134	/nfs/dbraw/zinc/54/91/34/202549134.db2.gz	VKAFYFWYKPCSQK-UHFFFAOYSA-N	1	1	339.347	3.480	1	0		EGAFMO
Oc1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4)CC3)co2)cc1	ZINC000072186032	203183446	/nfs/dbraw/zinc/18/34/46/203183446.db2.gz	OPTOAOVCBKONGZ-UHFFFAOYSA-N	1	1	349.434	3.365	1	0		EGAFMO
CC1=C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)C[N@@H+](CCO)[C@@H]5[C@H]2C[C@H]1C[C@H]36	ZINC000095918714	560054316	/nfs/dbraw/zinc/05/43/16/560054316.db2.gz	WPALKPOGFCZSHT-PVOZCVFRSA-N	1	1	341.495	3.031	1	0	biogenic,in-vitro	EGAFMO
CC[C@@H]1[N@@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2C	ZINC000096092049	1292947515	/nfs/dbraw/zinc/94/75/15/1292947515.db2.gz	IZWUDAIRPJLBGJ-ICSRJNTNSA-N	1	1	346.471	3.069	1	0		EGAFMO
C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022459923	202085382	/nfs/dbraw/zinc/08/53/82/202085382.db2.gz	FMANCDFISXCUPC-MAUKXSAKSA-N	1	1	349.544	3.122	3	0		EGAFMO
OCC[C@@H]1CN(Cc2c(F)cccc2Cl)CC[N@H+]1C1CCCC1	ZINC000022932895	202096105	/nfs/dbraw/zinc/09/61/05/202096105.db2.gz	QUKVHMIEEWVWPU-OAHLLOKOSA-N	1	1	340.870	3.290	3	0		EGAFMO
CC[C@@H](C)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21	ZINC000029570765	202189165	/nfs/dbraw/zinc/18/91/65/202189165.db2.gz	MFOJQKDFBGAHGQ-WZYMTQMTSA-N	1	1	340.471	3.362	1	0		EGAFMO
CC[N@H+]1CCC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1	ZINC000005341390	201362235	/nfs/dbraw/zinc/36/22/35/201362235.db2.gz	OAWRXBDGRIPUMA-AZUAARDMSA-N	1	1	331.456	3.092	1	0		EGAFMO
C[NH+]1CCN(c2ccc3nc(-c4ccc(O)cc4Cl)[nH]c3c2)CC1	ZINC000587053806	1298053879	/nfs/dbraw/zinc/05/38/79/1298053879.db2.gz	IRDGWFNQXUYSGB-UHFFFAOYSA-N	1	1	342.830	3.341	1	0		EGAFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C(F)(F)F)cc1)[N@H+]2C	ZINC000026727587	202147993	/nfs/dbraw/zinc/14/79/93/202147993.db2.gz	YDHBZQLWPITXGF-GBJTYRQASA-N	1	1	327.346	3.445	1	0		EGAFMO
COc1ccc(C(=O)Nc2cnc3c(c2)C[N@H+](C)CC3(C)C)cc1F	ZINC000029390659	202185012	/nfs/dbraw/zinc/18/50/12/202185012.db2.gz	TWVQLTKBMAIMAX-UHFFFAOYSA-N	1	1	343.402	3.205	1	0		EGAFMO
COc1ccc(C(=O)Nc2cnc3c(c2)C[N@@H+](C)CC3(C)C)cc1F	ZINC000029390659	202185016	/nfs/dbraw/zinc/18/50/16/202185016.db2.gz	TWVQLTKBMAIMAX-UHFFFAOYSA-N	1	1	343.402	3.205	1	0		EGAFMO
O=C(Cc1ccccc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1	ZINC000036286112	202320174	/nfs/dbraw/zinc/32/01/74/202320174.db2.gz	QXRXXIKAVZAGHZ-SFTDATJTSA-N	1	1	334.463	3.147	1	0		EGAFMO
COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCC3)C[N@H+]1CC2	ZINC000071340246	203093995	/nfs/dbraw/zinc/09/39/95/203093995.db2.gz	NIPYWOLSVPPTKN-KBAYOESNSA-N	1	1	331.456	3.174	1	0		EGAFMO
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)[N@H+]2C/C=C/C[18F]	ZINC000102162291	204034013	/nfs/dbraw/zinc/03/40/13/204034013.db2.gz	SGCXLJVGGMOGGK-BXTGHSNDSA-N	1	1	334.397	3.461	1	0		EGAFMO
CCCN1CCC[C@@]2(CC[N@@H+](Cc3cncn3C3CCCC3)C2)C1=O	ZINC000091656591	276009718	/nfs/dbraw/zinc/00/97/18/276009718.db2.gz	HWOBSRVHTCDSRJ-FQEVSTJZSA-N	1	1	344.503	3.223	1	0		EGAFMO
C[NH+]1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1	ZINC000040631345	213361470	/nfs/dbraw/zinc/36/14/70/213361470.db2.gz	WDQGZGQWBRMQPY-UHFFFAOYSA-N	1	1	330.435	3.329	1	0		EGAFMO
OC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072185919	216067277	/nfs/dbraw/zinc/06/72/77/216067277.db2.gz	IIZMOZQQOYEMMW-MRXNPFEDSA-N	1	1	337.345	3.042	1	0		EGAFMO
CC[N@H+]1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049089761	581098286	/nfs/dbraw/zinc/09/82/86/581098286.db2.gz	PSMLCFXRXFWWAG-CQSZACIVSA-N	1	1	344.480	3.181	1	0		EGAFMO
C[NH+]1CCC(c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)CC1	ZINC000049071809	213984355	/nfs/dbraw/zinc/98/43/55/213984355.db2.gz	FKYXYTRRMYNSQO-UHFFFAOYSA-N	1	1	334.423	3.138	1	0		EGAFMO
C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2F)CC1	ZINC000103245465	219274509	/nfs/dbraw/zinc/27/45/09/219274509.db2.gz	DIHDZHGCVMLXMR-JXMROGBWSA-N	1	1	339.414	3.229	1	0		EGAFMO
C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022459911	212298417	/nfs/dbraw/zinc/29/84/17/212298417.db2.gz	FMANCDFISXCUPC-YJBOKZPZSA-N	1	1	349.544	3.122	3	0		EGAFMO
Cc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)s1	ZINC000020784205	212171631	/nfs/dbraw/zinc/17/16/31/212171631.db2.gz	QCQJDVDQDIESRR-SFHVURJKSA-N	1	1	330.497	3.125	3	0		EGAFMO
Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)s1	ZINC000020784205	212171635	/nfs/dbraw/zinc/17/16/35/212171635.db2.gz	QCQJDVDQDIESRR-SFHVURJKSA-N	1	1	330.497	3.125	3	0		EGAFMO
Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)s1	ZINC000020784205	212171636	/nfs/dbraw/zinc/17/16/36/212171636.db2.gz	QCQJDVDQDIESRR-SFHVURJKSA-N	1	1	330.497	3.125	3	0		EGAFMO
NC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1	ZINC000101363730	219123707	/nfs/dbraw/zinc/12/37/07/219123707.db2.gz	NBLFFMILGMAYPO-RUYXUALKSA-N	1	1	336.435	3.360	1	0		EGAFMO
CCC[N@@H+]1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1	ZINC000066128570	215015150	/nfs/dbraw/zinc/01/51/50/215015150.db2.gz	AJYQQHRESICHPO-GOOCMWNKSA-N	1	1	327.255	3.311	1	0		EGAFMO
C[N@H+]1CCC[C@@H]1[C@@H]1C[S@](=O)C(c2ccccc2)(c2ccccc2)O1	ZINC000040430710	213302473	/nfs/dbraw/zinc/30/24/73/213302473.db2.gz	WKEGMVFSZKEMJV-YDIMBITNSA-N	1	1	341.476	3.129	1	0		EGAFMO
Cc1nn(C)c(=O)cc1-c1ccc(OCCC[N@@H+]2CCC[C@H]2C)cc1	ZINC000073296454	216373916	/nfs/dbraw/zinc/37/39/16/216373916.db2.gz	FVBMQXFSNPPRRM-OAHLLOKOSA-N	1	1	341.455	3.009	1	0		EGAFMO
NC(=O)c1cccc2nc(-c3ccc(C[NH+]4CCCCC4)cc3)[nH]c21	ZINC000026487662	581100555	/nfs/dbraw/zinc/10/05/55/581100555.db2.gz	SLVCHAWPLCGGHZ-UHFFFAOYSA-N	1	1	334.423	3.315	1	0		EGAFMO
C[NH+]1CCN(c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)CC1	ZINC000587022933	1298053450	/nfs/dbraw/zinc/05/34/50/1298053450.db2.gz	FUIOAXGDBARMGV-UHFFFAOYSA-N	1	1	333.848	3.092	1	0		EGAFMO
CN1CC[NH+](Cc2cccc3c2Cc2c-3n[nH]c2-c2ccccc2)CC1	ZINC000040575387	213354196	/nfs/dbraw/zinc/35/41/96/213354196.db2.gz	XXYVZLIWJICVRO-UHFFFAOYSA-N	1	1	344.462	3.395	1	0		EGAFMO
C[NH+]1CCN(Cc2ccc(C(=S)Nc3ccccc3)s2)CC1	ZINC000022873499	212330434	/nfs/dbraw/zinc/33/04/34/212330434.db2.gz	LWMUKSLYFIPUDO-UHFFFAOYSA-N	1	1	331.510	3.283	1	0		EGAFMO
COC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1OC	ZINC000012299740	211337634	/nfs/dbraw/zinc/33/76/34/211337634.db2.gz	MMWZMEJGZJHHPL-HNNXBMFYSA-N	1	1	345.443	3.095	3	0		EGAFMO
CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)sc21	ZINC000058591437	581091886	/nfs/dbraw/zinc/09/18/86/581091886.db2.gz	GFBNKGCUTQJTCK-LBPRGKRZSA-N	1	1	338.473	3.133	1	0		EGAFMO
COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CC[N@H+]3CCC2	ZINC000015217666	286261399	/nfs/dbraw/zinc/26/13/99/286261399.db2.gz	FCYJGRFDMUVIHS-UZLBHIALSA-N	1	1	327.424	3.062	1	0		EGAFMO
NC(=O)c1cccc2nc(-c3cccc(C[NH+]4CCCCC4)c3)[nH]c21	ZINC000026499319	581100568	/nfs/dbraw/zinc/10/05/68/581100568.db2.gz	VDEKDAAHTBTVDG-UHFFFAOYSA-N	1	1	334.423	3.315	1	0		EGAFMO
NC(=O)c1cc(F)cc2nc(-c3ccc([C@@H]4CCCC[NH2+]4)cc3)[nH]c21	ZINC000049066642	581100965	/nfs/dbraw/zinc/10/09/65/581100965.db2.gz	JYZNVPGMEAGFPG-HNNXBMFYSA-N	1	1	338.386	3.283	1	0		EGAFMO
C[N@@H+]1CCN(Cc2nc(-c3cccs3)no2)C[C@@H]1c1ccccc1	ZINC000022852865	212329833	/nfs/dbraw/zinc/32/98/33/212329833.db2.gz	GPZBFLJYLXIQHV-OAHLLOKOSA-N	1	1	340.452	3.287	3	0		EGAFMO
C[N@H+]1CCN(Cc2nc(-c3cccs3)no2)C[C@@H]1c1ccccc1	ZINC000022852865	212329835	/nfs/dbraw/zinc/32/98/35/212329835.db2.gz	GPZBFLJYLXIQHV-OAHLLOKOSA-N	1	1	340.452	3.287	3	0		EGAFMO
C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1	ZINC000027442436	581094755	/nfs/dbraw/zinc/09/47/55/581094755.db2.gz	DUKNIHFTDAXJON-XXZHDZSNSA-N	1	1	335.451	3.047	1	0		EGAFMO
COc1cc(C)ccc1-c1nc2ccc(N3CC[NH+](C)CC3)cc2[nH]1	ZINC000587926238	1298054482	/nfs/dbraw/zinc/05/44/82/1298054482.db2.gz	VOHMTVSNCQRZLF-UHFFFAOYSA-N	1	1	336.439	3.299	1	0		EGAFMO
CC(=O)C[C@@H]1c2cc(Cl)ccc2[NH+]=C(n2cncn2)N1C(C)C	ZINC000103176721	219266160	/nfs/dbraw/zinc/26/61/60/219266160.db2.gz	RPGHLTVXWVYGMA-OAHLLOKOSA-N	1	1	331.807	3.212	1	0		EGAFMO
CC1(C)C=C(CSc2nc3cccc(C(N)=O)c3[nH]2)CC(C)(C)[NH2+]1	ZINC000036423243	213098176	/nfs/dbraw/zinc/09/81/76/213098176.db2.gz	NDYRRDODJUJDMX-UHFFFAOYSA-N	1	1	344.484	3.231	1	0		EGAFMO
C[N@H+]1CC[C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1	ZINC000072177319	216066394	/nfs/dbraw/zinc/06/63/94/216066394.db2.gz	UEMBANHXOBGHAG-OAHLLOKOSA-N	1	1	340.448	3.297	1	0		EGAFMO
C[C@@H]1C[N@H+](CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1	ZINC000022930240	212335823	/nfs/dbraw/zinc/33/58/23/212335823.db2.gz	DAVHXSIZTCBGJE-IYBDPMFKSA-N	1	1	336.483	3.449	1	0		EGAFMO
C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)[NH2+]1	ZINC000022930240	212335825	/nfs/dbraw/zinc/33/58/25/212335825.db2.gz	DAVHXSIZTCBGJE-IYBDPMFKSA-N	1	1	336.483	3.449	1	0		EGAFMO
CCCc1nc(N2CC[NH+](C)CC2)nc2c1Nc1ccccc1S2	ZINC000098081965	219080023	/nfs/dbraw/zinc/08/00/23/219080023.db2.gz	DXYDTHWIVOJBPB-UHFFFAOYSA-N	1	1	341.484	3.389	1	0		EGAFMO
CC(C)[N@@H+](C)[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1ccncc1	ZINC000299841917	257656108	/nfs/dbraw/zinc/65/61/08/257656108.db2.gz	BNPOYUOHJCOZFA-DLBZAZTESA-N	1	1	330.501	3.064	1	0		EGAFMO
CN1C2=N[C@H]3C=CC=C[C@H]3C2=C(N2CCC[N@@H+](C)CC2)c2ccccc21	ZINC000098083504	219081092	/nfs/dbraw/zinc/08/10/92/219081092.db2.gz	MJLWWTBAXVQCHQ-AEFFLSMTSA-N	1	1	346.478	3.008	1	0		EGAFMO
CCNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](C)CC3	ZINC000036221668	213077928	/nfs/dbraw/zinc/07/79/28/213077928.db2.gz	ZNJDUQHDGFWNKK-YVWKXTFCSA-N	1	1	328.456	3.483	1	0	in-vivo	EGAFMO
CCOc1cccc(-c2nc(CNCC[C@@H]3CCC[N@H+]3C)co2)c1	ZINC000072185395	216067631	/nfs/dbraw/zinc/06/76/31/216067631.db2.gz	UIMZDTCNCIWKOJ-KRWDZBQOSA-N	1	1	329.444	3.314	1	0		EGAFMO
Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)[N@H+](CCc2ccccc2)CC3)c1	ZINC000028710327	212633164	/nfs/dbraw/zinc/63/31/64/212633164.db2.gz	YJDWRJHIVSZYJV-BDTNDASRSA-N	1	1	337.463	3.492	1	0		EGAFMO
CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1	ZINC000012481059	211391912	/nfs/dbraw/zinc/39/19/12/211391912.db2.gz	OPJUPQQHZMVKBU-AYHJJNSGSA-N	1	1	331.529	3.099	3	0		EGAFMO
CN1CCC[N@@H+](CCn2ccc3c2cccc3Br)CC1	ZINC000022940003	212338106	/nfs/dbraw/zinc/33/81/06/212338106.db2.gz	IFAWMTHIXOPXLI-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@@H+]1CCCN(CCn2ccc3c2cccc3Br)CC1	ZINC000022940003	212338110	/nfs/dbraw/zinc/33/81/10/212338110.db2.gz	IFAWMTHIXOPXLI-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
C[N@H+]1CCCN(CCn2ccc3c2cccc3Br)CC1	ZINC000022940003	212338111	/nfs/dbraw/zinc/33/81/11/212338111.db2.gz	IFAWMTHIXOPXLI-UHFFFAOYSA-N	1	1	336.277	3.041	1	0		EGAFMO
O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)oc2ccccc12	ZINC000022443317	212298134	/nfs/dbraw/zinc/29/81/34/212298134.db2.gz	STRZBWNLFZFMED-UHFFFAOYSA-N	1	1	334.419	3.111	1	0		EGAFMO
C[C@@H]1Cc2cc(Cl)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2O1	ZINC000013650235	211598947	/nfs/dbraw/zinc/59/89/47/211598947.db2.gz	GYNKWJSTMFIZFD-SLYWTYHBSA-N	1	1	334.847	3.018	1	0		EGAFMO
C=CC(=O)NC1=CC=C2N=CNC(=[NH+]c3cccc(C(F)(F)F)c3)[C@@H]21	ZINC000040914226	213398967	/nfs/dbraw/zinc/39/89/67/213398967.db2.gz	ITUYHIVMFHHMAY-HNNXBMFYSA-N	1	1	346.312	3.258	1	0		EGAFMO
COc1ccc2c3c1O[C@H]1c4[nH]c(C)cc4C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000034950440	213002200	/nfs/dbraw/zinc/00/22/00/213002200.db2.gz	AZFVBLNULSJPKC-YQMDMEMYSA-N	1	1	336.435	3.136	1	0		EGAFMO
O=C1c2ccccc2CC[C@@H]1C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022933175	212336241	/nfs/dbraw/zinc/33/62/41/212336241.db2.gz	XBLBQWNQIGPMRE-HXUWFJFHSA-N	1	1	334.463	3.250	1	0		EGAFMO
C[N@@H+](CCC(=O)Nc1cc2ccccc2oc1=O)Cc1ccccc1	ZINC000095595029	1292945468	/nfs/dbraw/zinc/94/54/68/1292945468.db2.gz	JOAQPVWZBNGDJT-UHFFFAOYSA-N	1	1	336.391	3.254	1	0		EGAFMO
C[N@@H+](CCC(=O)NC1CCCCC1)[C@@H]1Cc2c[nH]c3cccc(c23)C1	ZINC000026579748	212527897	/nfs/dbraw/zinc/52/78/97/212527897.db2.gz	SZHXZCVHCVDRBX-SFHVURJKSA-N	1	1	339.483	3.406	1	0		EGAFMO
CCc1ccc(CNC[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)o1	ZINC000019225790	212007273	/nfs/dbraw/zinc/00/72/73/212007273.db2.gz	KYRGHOIRLUYJLS-QEEYODRMSA-N	1	1	346.446	3.125	1	0		EGAFMO
CCc1ccc(CNC[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)o1	ZINC000019225790	212007276	/nfs/dbraw/zinc/00/72/76/212007276.db2.gz	KYRGHOIRLUYJLS-QEEYODRMSA-N	1	1	346.446	3.125	1	0		EGAFMO
C/C=C1\[C@H]2[N@@H+]3CC[C@]24c2cccc(OC)c2N(C(C)=O)[C@@H]4C[C@H]1CC3	ZINC000085488166	560075812	/nfs/dbraw/zinc/07/58/12/560075812.db2.gz	CCNTUVFHVFQEJI-JULLEKLJSA-N	1	1	338.451	3.112	1	0	biogenic,in-vitro	EGAFMO
CC(C)NC(=O)c1cccc2nc(C3=CC(C)(C)[NH2+]C3(C)C)[nH]c21	ZINC000040407354	213299955	/nfs/dbraw/zinc/29/99/55/213299955.db2.gz	WBTKCVPWOXYIRK-UHFFFAOYSA-N	1	1	326.444	3.245	1	0		EGAFMO
CCCC[N@H+]1CCCN(c2nc3ccccc3n2CCOCC)CC1	ZINC000038142538	213201951	/nfs/dbraw/zinc/20/19/51/213201951.db2.gz	KVGVEPAVXJHHOX-UHFFFAOYSA-N	1	1	344.503	3.385	1	0		EGAFMO
O=C(Oc1ccc(Br)cc1)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000066124305	215013900	/nfs/dbraw/zinc/01/39/00/215013900.db2.gz	NEQLCLMTLRLIDI-ZDUSSCGKSA-N	1	1	339.233	3.118	1	0		EGAFMO
C[NH+]1CCN(C[C@@H](c2ccc(Cl)cc2)C2(O)CCCCC2)CC1	ZINC000040860996	213395203	/nfs/dbraw/zinc/39/52/03/213395203.db2.gz	QTRTUWQVBHBFRC-SFHVURJKSA-N	1	1	336.907	3.366	1	0	in-vitro	EGAFMO
C[NH+]1CCN(C[C@H](c2ccc(Cl)cc2)C2(O)CCCCC2)CC1	ZINC000040860998	213394223	/nfs/dbraw/zinc/39/42/23/213394223.db2.gz	QTRTUWQVBHBFRC-GOSISDBHSA-N	1	1	336.907	3.366	1	0	in-vitro	EGAFMO
Oc1cccc([C@]23CCC[C@H]([C@@H]2O)[N@H+](CCc2ccccc2)CC3)c1	ZINC000028710328	212633126	/nfs/dbraw/zinc/63/31/26/212633126.db2.gz	YJDWRJHIVSZYJV-BHIFYINESA-N	1	1	337.463	3.492	1	0		EGAFMO
C[NH+]1CCN(c2ccc3nc(-c4ncccc4Cl)[nH]c3c2)CC1	ZINC000587065467	1298053542	/nfs/dbraw/zinc/05/35/42/1298053542.db2.gz	RDNOSWGHSWHTET-UHFFFAOYSA-N	1	1	327.819	3.030	1	0		EGAFMO
CCOc1cccc(-c2nc(C[NH+]3CCC4(CC3)OCCO4)co2)c1	ZINC000072181280	216067755	/nfs/dbraw/zinc/06/77/55/216067755.db2.gz	IJPZEOHDHZAORO-UHFFFAOYSA-N	1	1	344.411	3.079	1	0		EGAFMO
C[N@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cncnc3)c2)n1	ZINC000020209088	212111865	/nfs/dbraw/zinc/11/18/65/212111865.db2.gz	CDWAAYNSJBCGGJ-LJQANCHMSA-N	1	1	333.439	3.491	1	0		EGAFMO
CCC[N@@H+](CCCNC(=O)OCC)[C@@H]1CCc2c(O)cccc2C1	ZINC000028007609	517578947	/nfs/dbraw/zinc/57/89/47/517578947.db2.gz	SVTNHUIMXHANJW-MRXNPFEDSA-N	1	1	334.460	3.098	1	0		EGAFMO
COc1ccc2c(c1)N=C(N1CC[NH+](C)CC1)c1cscc1N2	ZINC000053092920	214163622	/nfs/dbraw/zinc/16/36/22/214163622.db2.gz	HWYPEYZLLZJSTR-UHFFFAOYSA-N	1	1	328.441	3.139	1	0		EGAFMO
COc1ccc(C[C@@H]2Cc3cc(OC)c(OC)cc3C[N@H+]2C)cc1	ZINC000003593733	210060024	/nfs/dbraw/zinc/06/00/24/210060024.db2.gz	OQBFIWXZDDXDGU-QGZVFWFLSA-N	1	1	327.424	3.312	1	0		EGAFMO
[NH3+]Cc1noc(-c2nn(Cc3ccccc3Cl)c3ccccc32)n1	ZINC000040395271	213297926	/nfs/dbraw/zinc/29/79/26/213297926.db2.gz	DJXIFBTZOYSXRI-UHFFFAOYSA-N	1	1	339.786	3.247	1	0		EGAFMO
O=C(Cc1ccccc1)N1C[C@@H]2CCC[N@H+]2C[C@H]1Cc1ccccc1	ZINC000036285955	213081917	/nfs/dbraw/zinc/08/19/17/213081917.db2.gz	QXRXXIKAVZAGHZ-LEWJYISDSA-N	1	1	334.463	3.147	1	0		EGAFMO
CC(C)(O)CN(Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1	ZINC000036093166	213061969	/nfs/dbraw/zinc/06/19/69/213061969.db2.gz	SWHHPRMJECGQTA-UHFFFAOYSA-N	1	1	348.384	3.169	1	0		EGAFMO
C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cc3ccccc3)c3ccccc3)C[C@H]2C1	ZINC000095554451	1292944564	/nfs/dbraw/zinc/94/45/64/1292944564.db2.gz	SPYKXMZHFPJXHE-HBMCJLEFSA-N	1	1	334.463	3.033	1	0		EGAFMO
CN1C2=N[C@@H]3C=CC=C[C@@H]3C2=C(N2CCC[N@@H+](C)CC2)c2ccccc21	ZINC000169301253	530046736	/nfs/dbraw/zinc/04/67/36/530046736.db2.gz	MJLWWTBAXVQCHQ-FUHWJXTLSA-N	1	1	346.478	3.008	1	0		EGAFMO
COc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1	ZINC000103236625	219273237	/nfs/dbraw/zinc/27/32/37/219273237.db2.gz	CFSCHFKQAOMNAI-PHZGNYQRSA-N	1	1	340.423	3.214	1	0		EGAFMO
CCCc1c(Sc2ccc(OC)cc2)[nH]c2nc(N)[nH+]c(N)c21	ZINC000040917775	213399750	/nfs/dbraw/zinc/39/97/50/213399750.db2.gz	WHTDIMVEICTJMU-UHFFFAOYSA-N	1	1	329.429	3.235	1	0		EGAFMO
CCCCNC(=O)c1ccc2c(c1)[C@H]1OCC[N@@H+](CCC)[C@@H]1CC2	ZINC000040411869	213299960	/nfs/dbraw/zinc/29/99/60/213299960.db2.gz	PAZHMMYMPVTXLZ-RTBURBONSA-N	1	1	330.472	3.315	1	0		EGAFMO
C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000022459929	212298767	/nfs/dbraw/zinc/29/87/67/212298767.db2.gz	FMANCDFISXCUPC-CRAIPNDOSA-N	1	1	349.544	3.122	3	0		EGAFMO
C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)c3ccccc3)C[C@H]2C1	ZINC000095554452	218436427	/nfs/dbraw/zinc/43/64/27/218436427.db2.gz	SPYKXMZHFPJXHE-QHAWAJNXSA-N	1	1	334.463	3.033	1	0		EGAFMO
C[N@H+]1C[C@H]2CC[C@@H]1CN2c1ncnc2c3cc(Cl)ccc3oc21	ZINC000035824591	132391155	/nfs/dbraw/zinc/39/11/55/132391155.db2.gz	QQHWGWGTSDXWSQ-VXGBXAGGSA-N	1	1	328.803	3.312	1	0		EGAFMO
CC[C@@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32	ZINC000014719343	453542092	/nfs/dbraw/zinc/54/20/92/453542092.db2.gz	FNGGIPWAZSFKCN-HBMCJLEFSA-N	1	1	336.435	3.221	1	0		EGAFMO
Cc1noc(C)c1C(=O)N1CCC2(CCC[N@H+](CC(C)C)C2)CC1	ZINC000004238035	210148251	/nfs/dbraw/zinc/14/82/51/210148251.db2.gz	AIYGXVAILPSINZ-UHFFFAOYSA-N	1	1	333.476	3.266	1	0		EGAFMO
C[NH+](C)[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccccc32)C1	ZINC000066112109	215013878	/nfs/dbraw/zinc/01/38/78/215013878.db2.gz	KRVBCKPGPVGNKQ-CQSZACIVSA-N	1	1	334.423	3.143	1	0		EGAFMO
COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCC[C@H]3CO)ccc2c1	ZINC000012433443	211379388	/nfs/dbraw/zinc/37/93/88/211379388.db2.gz	BEUKSSIUCDJAPK-SFHVURJKSA-N	1	1	337.423	3.195	1	0		EGAFMO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)[N@H+]2C/C=C/C[18F]	ZINC000102162296	219187839	/nfs/dbraw/zinc/18/78/39/219187839.db2.gz	SGCXLJVGGMOGGK-GLRLTEGOSA-N	1	1	334.397	3.461	1	0		EGAFMO
C[C@H]1C[N@H+]2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075231	213007259	/nfs/dbraw/zinc/00/72/59/213007259.db2.gz	XNSUKSAFEUEKIG-LDQXTDLNSA-N	1	1	340.467	3.469	1	0		EGAFMO
Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000072122727	216015446	/nfs/dbraw/zinc/01/54/46/216015446.db2.gz	AWDJVAMSSJIVCL-GOSISDBHSA-N	1	1	348.450	3.110	1	0		EGAFMO
Cc1csc(-c2nc(CCC[NH3+])[nH]c2-c2ccc3c(c2)OCO3)n1	ZINC000073312227	216376609	/nfs/dbraw/zinc/37/66/09/216376609.db2.gz	NQXVTQJZWXAUJV-UHFFFAOYSA-N	1	1	342.424	3.129	1	0		EGAFMO
CC(C)[N@H+]1CCN(Cc2ccc3cc(Cl)ccc3n2)C[C@@H]1CCO	ZINC000023372966	212372834	/nfs/dbraw/zinc/37/28/34/212372834.db2.gz	QNZPPBAUALOJJS-SFHVURJKSA-N	1	1	347.890	3.165	1	0		EGAFMO
O[C@@]1(c2ccc(Cl)cc2)CC[N@@H+](Cc2c[nH]c3ncccc23)C1	ZINC000040861982	213395079	/nfs/dbraw/zinc/39/50/79/213395079.db2.gz	BUOWMBFFJAPTLV-SFHVURJKSA-N	1	1	327.815	3.310	1	0		EGAFMO
O=c1[nH]c2ccccc2cc1C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1	ZINC000067675023	280387638	/nfs/dbraw/zinc/38/76/38/280387638.db2.gz	DUEAVMOELRRONS-IBGZPJMESA-N	1	1	349.434	3.104	1	0		EGAFMO
Oc1cccc(CC[N@@H+]2CCCC[C@H]2[C@H](O)c2cccc(O)c2)c1	ZINC000085486961	560076086	/nfs/dbraw/zinc/07/60/86/560076086.db2.gz	OYNUALIDVIGIGO-VQTJNVASSA-N	1	1	327.424	3.228	1	0	biogenic,in-vitro	EGAFMO
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nc[nH]n1	ZINC000040935925	581098982	/nfs/dbraw/zinc/09/89/82/581098982.db2.gz	UXGPUPRVWVJSBT-INIZCTEOSA-N	1	1	337.383	3.016	1	0		EGAFMO
C[NH+]1CCN(c2ccc3nc(-c4ccc(Cl)nc4F)[nH]c3c2)CC1	ZINC000587178013	1298054000	/nfs/dbraw/zinc/05/40/00/1298054000.db2.gz	LTHKXYGZIYDLQN-UHFFFAOYSA-N	1	1	345.809	3.169	1	0		EGAFMO
CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@H+]3C)CC(=O)[C@H]1C	ZINC000040670170	213366994	/nfs/dbraw/zinc/36/69/94/213366994.db2.gz	SOIRLXJJWMWZKS-MMEHTYGQSA-N	1	1	327.468	3.445	1	0		EGAFMO
Cn1ccnc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2	ZINC000011664003	211231816	/nfs/dbraw/zinc/23/18/16/211231816.db2.gz	WDTIWHLWNIQDTC-HXUWFJFHSA-N	1	1	342.462	3.047	1	0		EGAFMO
C[C@@H](OC[C@H](O)C[N@H+]1CCCC[C@@H]1CCO)c1ccc(Cl)cc1	ZINC000006940181	258052664	/nfs/dbraw/zinc/05/26/64/258052664.db2.gz	RRQYSZVQNSEVRF-ZTFGCOKTSA-N	1	1	341.879	3.015	1	0		EGAFMO