smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097847	204191680	/nfs/dbraw/zinc/19/16/80/204191680.db2.gz	VYABQZCNRWBVCK-FQEVSTJZSA-N	1	0	355.482	2.859	50	10		FFCARO
CCOc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1O	ZINC000039519053	205046148	/nfs/dbraw/zinc/04/61/48/205046148.db2.gz	HWSNVCUOLGTTPD-LJQANCHMSA-N	1	0	362.514	2.992	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c(O)c1	ZINC000039552301	205046535	/nfs/dbraw/zinc/04/65/35/205046535.db2.gz	UPLKJQQIVSNXDX-GOSISDBHSA-N	1	0	374.456	2.609	50	10		FFCARO
CCCc1cnc(N2CC[NH+](Cc3cccc(OCC)c3O)CC2)nc1	ZINC000065395571	205344715	/nfs/dbraw/zinc/34/47/15/205344715.db2.gz	ITLLNGMKUSDFGL-UHFFFAOYSA-N	1	0	356.470	2.856	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c(O)c1	ZINC000104380100	206238167	/nfs/dbraw/zinc/23/81/67/206238167.db2.gz	WCNXSNJILUCASS-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C	ZINC000072446727	136148209	/nfs/dbraw/zinc/14/82/09/136148209.db2.gz	UXTAGDFRAOBSTI-UHFFFAOYSA-N	1	0	353.466	2.685	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1ccc(F)cc1)cc2=O	ZINC000047279869	205145323	/nfs/dbraw/zinc/14/53/23/205145323.db2.gz	BIYSUZMRKMQZMC-GFCCVEGCSA-N	1	0	372.400	2.944	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3Cl)cc2)CC1	ZINC000065364350	205340497	/nfs/dbraw/zinc/34/04/97/205340497.db2.gz	GTJGUDUZIZHKRL-UHFFFAOYSA-N	1	0	373.884	2.787	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c(O)c1	ZINC000105904091	206011329	/nfs/dbraw/zinc/01/13/29/206011329.db2.gz	UPLKJQQIVSNXDX-SFHVURJKSA-N	1	0	374.456	2.609	50	10		FFCARO
Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4n3CCCCC4)C1)OCO2	ZINC000012884560	506911250	/nfs/dbraw/zinc/91/12/50/506911250.db2.gz	HJKMMSQKYDFAGJ-AWEZNQCLSA-N	1	0	370.453	2.818	50	10		FFCARO
O=[N+]([O-])c1cccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c1	ZINC000013809783	506957454	/nfs/dbraw/zinc/95/74/54/506957454.db2.gz	IVUNOEOGWUEBRN-SFHVURJKSA-N	1	0	356.427	2.766	50	10		FFCARO
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OC	ZINC000005097809	204191989	/nfs/dbraw/zinc/19/19/89/204191989.db2.gz	RUQBGDYMXLEGSK-SFHVURJKSA-N	1	0	371.481	2.803	50	10		FFCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(N)=O)cc1	ZINC000005137400	204193200	/nfs/dbraw/zinc/19/32/00/204193200.db2.gz	DZRKLZVYCUHLEK-NRSPTQNISA-N	1	0	359.514	2.686	50	10		FFCARO
OCCN1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1	ZINC000020507289	206337467	/nfs/dbraw/zinc/33/74/67/206337467.db2.gz	SAAMDLFHGJROHF-IBGZPJMESA-N	1	0	369.490	2.701	50	10	aggregator	FFCARO
COc1ccc(N2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)cc1	ZINC000032863550	506302987	/nfs/dbraw/zinc/30/29/87/506302987.db2.gz	LBBYLCNUKJMZDC-UHFFFAOYSA-N	1	0	374.529	2.791	50	10		FFCARO
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12	ZINC000299788328	511681332	/nfs/dbraw/zinc/68/13/32/511681332.db2.gz	RUGUOUJOCXNIPC-OTWHNJEPSA-N	1	0	352.434	2.940	50	10		FFCARO
COc1ccc(N2CCN(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1	ZINC000009314674	536684538	/nfs/dbraw/zinc/68/45/38/536684538.db2.gz	QTOWZMDPZWXUKO-UHFFFAOYSA-N	1	0	374.529	2.649	50	10		FFCARO
COc1ccccc1N1CCc2nc(N)c(C#N)c([C@H]3CCC[NH2+]C3)c2C1	ZINC000072159019	1019834127	/nfs/dbraw/zinc/83/41/27/1019834127.db2.gz	CUYJIRSCMYDQQT-AWEZNQCLSA-N	1	0	363.465	2.574	50	10		FFCARO
COc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c1O	ZINC000039445134	205046486	/nfs/dbraw/zinc/04/64/86/205046486.db2.gz	RQJAYPXPAHPQFN-LJQANCHMSA-N	1	0	362.514	2.850	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C	ZINC000054470731	205200866	/nfs/dbraw/zinc/20/08/66/205200866.db2.gz	WOPMBSGXTKJQBT-IAGOWNOFSA-N	1	0	360.498	2.857	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)cc1C	ZINC000104371238	206237297	/nfs/dbraw/zinc/23/72/97/206237297.db2.gz	DWYWECVZSAFVLH-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1	ZINC000048748742	136123790	/nfs/dbraw/zinc/12/37/90/136123790.db2.gz	NKGQYLFXFYRDIP-UHFFFAOYSA-N	1	0	357.429	2.911	50	10		FFCARO
COC(=O)c1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1	ZINC000032819578	506298282	/nfs/dbraw/zinc/29/82/82/506298282.db2.gz	VTYAQOYIDZYBLP-UHFFFAOYSA-N	1	0	354.450	2.942	50	10		FFCARO
O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2	ZINC000091964807	508028058	/nfs/dbraw/zinc/02/80/58/508028058.db2.gz	XELBOUNTDNRBAX-DOTOQJQBSA-N	1	0	370.424	2.974	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4c[nH]c(C)n4)C3)CC2)cc1	ZINC000020452218	524431327	/nfs/dbraw/zinc/43/13/27/524431327.db2.gz	RCKNHIOCNSZBGA-HXUWFJFHSA-N	1	0	369.513	2.513	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c(O)c1	ZINC000104557108	206238678	/nfs/dbraw/zinc/23/86/78/206238678.db2.gz	FJKLOTWIXMGNGQ-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)C=C(C)C)C3)CC2)cc1	ZINC000055271451	136126360	/nfs/dbraw/zinc/12/63/60/136126360.db2.gz	JEADFBYWBQJUBV-IBGZPJMESA-N	1	0	357.498	2.774	50	10		FFCARO
O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CCc1ccc(F)cc1	ZINC000011753983	506793158	/nfs/dbraw/zinc/79/31/58/506793158.db2.gz	JROQZPUVSSBNRQ-LJQANCHMSA-N	1	0	354.425	2.694	50	10		FFCARO
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000096028115	508202976	/nfs/dbraw/zinc/20/29/76/508202976.db2.gz	GBTWAPVFXUKHOI-CYBMUJFWSA-N	1	0	353.418	2.590	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1O	ZINC000077329634	508301113	/nfs/dbraw/zinc/30/11/13/508301113.db2.gz	WTWDTQCGQRDBLA-GOSISDBHSA-N	1	0	374.456	2.609	50	10		FFCARO
COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097857	204191648	/nfs/dbraw/zinc/19/16/48/204191648.db2.gz	JLPSYLJPURFPHK-GOSISDBHSA-N	1	0	371.481	2.559	50	10		FFCARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097848	204191864	/nfs/dbraw/zinc/19/18/64/204191864.db2.gz	VYABQZCNRWBVCK-HXUWFJFHSA-N	1	0	355.482	2.859	50	10		FFCARO
C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1	ZINC000299739493	205116710	/nfs/dbraw/zinc/11/67/10/205116710.db2.gz	PDVIDWRVQBJRMB-MRXNPFEDSA-N	1	0	369.465	2.547	50	10		FFCARO
COc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1OC	ZINC000048748687	136123680	/nfs/dbraw/zinc/12/36/80/136123680.db2.gz	RTOUBSZCJUTHGB-UHFFFAOYSA-N	1	0	360.429	2.969	50	10		FFCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000000893580	506238172	/nfs/dbraw/zinc/23/81/72/506238172.db2.gz	RQPGSGXJPDMBHZ-UHFFFAOYSA-N	1	0	357.410	2.627	50	10		FFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3cccs3)CC2)cc1	ZINC000011853424	506798835	/nfs/dbraw/zinc/79/88/35/506798835.db2.gz	BSHHDLALCGLEDY-UHFFFAOYSA-N	1	0	359.495	2.699	50	10		FFCARO
CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2O)C[C@@H]1CCO	ZINC000023372844	507348990	/nfs/dbraw/zinc/34/89/90/507348990.db2.gz	XKZKIPRFOQGMAD-FQEVSTJZSA-N	1	0	370.493	2.860	50	10		FFCARO
c1ccc(-n2nnnc2C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)cc1	ZINC001506404916	1059496805	/nfs/dbraw/zinc/49/68/05/1059496805.db2.gz	SHRWOGYVSQUUMI-UHFFFAOYSA-N	1	0	374.492	2.910	50	10		FFCARO
OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC001506414165	1059504441	/nfs/dbraw/zinc/50/44/41/1059504441.db2.gz	OWIHZKTUZWUMCO-GOSISDBHSA-N	1	0	354.450	2.577	50	10		FFCARO
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000065363070	205337929	/nfs/dbraw/zinc/33/79/29/205337929.db2.gz	KRMPCZUVCDTZFA-SFHVURJKSA-N	1	0	367.493	2.831	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)CSc3ccccc3)cc2)CC1	ZINC000065363671	205338607	/nfs/dbraw/zinc/33/86/07/205338607.db2.gz	ZYRFRLYNRUHYRS-UHFFFAOYSA-N	1	0	355.507	2.847	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1	ZINC000020347306	524427386	/nfs/dbraw/zinc/42/73/86/524427386.db2.gz	NMPWLFPWXCLQKV-HXUWFJFHSA-N	1	0	370.493	2.874	50	10		FFCARO
Cc1cccc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C	ZINC000065362175	205337700	/nfs/dbraw/zinc/33/77/00/205337700.db2.gz	SBHJGHGUXYBCMK-UHFFFAOYSA-N	1	0	367.493	2.750	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccccc3F)cc2)CC1	ZINC000072446807	136148163	/nfs/dbraw/zinc/14/81/63/136148163.db2.gz	WCHIHBWVXJFGGP-UHFFFAOYSA-N	1	0	355.457	2.827	50	10		FFCARO
CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1O	ZINC000038145418	208198593	/nfs/dbraw/zinc/19/85/93/208198593.db2.gz	DBFZKKQIMZIJAA-GOSISDBHSA-N	1	0	374.481	2.761	50	10		FFCARO
Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)NC1CCCC1	ZINC000019794018	507201110	/nfs/dbraw/zinc/20/11/10/507201110.db2.gz	MONPZKWICLPCHM-UHFFFAOYSA-N	1	0	371.481	2.867	50	10		FFCARO
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000072140595	507756785	/nfs/dbraw/zinc/75/67/85/507756785.db2.gz	DFEDMBXURAFCMA-GOSISDBHSA-N	1	0	367.493	2.831	50	10		FFCARO
COc1ccccc1N1CCc2nc(N)c(C#N)c([C@@H]3CCC[NH2+]C3)c2C1	ZINC000072159018	1019833261	/nfs/dbraw/zinc/83/32/61/1019833261.db2.gz	CUYJIRSCMYDQQT-CQSZACIVSA-N	1	0	363.465	2.574	50	10		FFCARO
Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000098087179	132231816	/nfs/dbraw/zinc/23/18/16/132231816.db2.gz	POJUPGPTXVPLDT-SFHVURJKSA-N	1	0	367.493	2.831	50	10		FFCARO
Oc1cc2c(cc1C[NH+]1CCC(c3nnc4ccccn43)CC1)OCO2	ZINC000014121043	506968578	/nfs/dbraw/zinc/96/85/78/506968578.db2.gz	FNEMJGDICVVZGN-UHFFFAOYSA-N	1	0	352.394	2.543	50	10		FFCARO
C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1O)OCO2	ZINC000016878592	507109807	/nfs/dbraw/zinc/10/98/07/507109807.db2.gz	OBWCOTGFRAXZLC-UHFFFAOYSA-N	1	0	356.422	2.590	50	10		FFCARO
C[C@H](C[NH+](C)C)Nc1ccc(N=Nc2c[nH]c(=O)[nH]c2=O)c2ccccc12	ZINC000071767016	571107152	/nfs/dbraw/zinc/10/71/52/571107152.db2.gz	HNNFJEIGERJMOE-LIPRLMJMSA-N	1	0	366.425	2.994	50	10		FFCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+]CCCN1CCOCC1	ZINC000012278664	988431077	/nfs/dbraw/zinc/43/10/77/988431077.db2.gz	RBTDMURDTAHUJA-UHFFFAOYSA-N	1	0	370.449	2.600	50	10		FFCARO
O=C1/C(=C\c2ccsc2)SC(=S)N1CCCN1CCOCC1	ZINC000096930800	209162629	/nfs/dbraw/zinc/16/26/29/209162629.db2.gz	URPJSMAFXSOHRE-JLHYYAGUSA-N	1	0	354.522	2.672	50	10		FFCARO
CN(Cc1ccc2c(c1)CCCN2C)c1cc([C@H]2CCC[NH2+]C2)ncn1	ZINC000106705207	132266185	/nfs/dbraw/zinc/26/61/85/132266185.db2.gz	ILWKIGHVCRCENF-SFHVURJKSA-N	1	0	351.498	2.962	50	10		FFCARO
CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1O	ZINC000000872510	506236997	/nfs/dbraw/zinc/23/69/97/506236997.db2.gz	MHCJXDVIRHEPPX-UHFFFAOYSA-N	1	0	359.451	2.795	50	10		FFCARO
O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000012908284	506913209	/nfs/dbraw/zinc/91/32/09/506913209.db2.gz	VWYFENLUIPMCLE-CQSZACIVSA-N	1	0	354.406	2.972	50	10		FFCARO
CN(C)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000019537234	507176558	/nfs/dbraw/zinc/17/65/58/507176558.db2.gz	NOMNIKYOJAYTRW-UHFFFAOYSA-N	1	0	353.466	2.799	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)CCCOc3ccccc3)cc2)CC1	ZINC000049740647	507634741	/nfs/dbraw/zinc/63/47/41/507634741.db2.gz	FALADUGIXMOBEY-UHFFFAOYSA-N	1	0	367.493	2.914	50	10		FFCARO
Cc1c(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccc3c2n1CCC3	ZINC000426632953	514000405	/nfs/dbraw/zinc/00/04/05/514000405.db2.gz	WVAJKTJMFDVCPE-KRWDZBQOSA-N	1	0	354.498	2.784	50	10		FFCARO
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005098829	207080868	/nfs/dbraw/zinc/08/08/68/207080868.db2.gz	QXTFOBJJGKAZME-IBGZPJMESA-N	1	0	361.511	2.642	50	10		FFCARO
C[C@@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000048355237	136123433	/nfs/dbraw/zinc/12/34/33/136123433.db2.gz	MRJGYPWSWJXGDR-CQSZACIVSA-N	1	0	360.889	2.921	50	10		FFCARO
Cc1cc(C)cc(N2CCN(Cc3ccc(O)c(C[NH+](C)C)c3)CC2=O)c1	ZINC000072153470	136142802	/nfs/dbraw/zinc/14/28/02/136142802.db2.gz	IHLFFXSHGMMGJU-UHFFFAOYSA-N	1	0	367.493	2.919	50	10		FFCARO
Cc1c(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccc3c2n1CCC3	ZINC000426632954	514001041	/nfs/dbraw/zinc/00/10/41/514001041.db2.gz	WVAJKTJMFDVCPE-QGZVFWFLSA-N	1	0	354.498	2.784	50	10		FFCARO
Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005098828	207080019	/nfs/dbraw/zinc/08/00/19/207080019.db2.gz	OFNARZRGCPZNHM-LJQANCHMSA-N	1	0	361.511	2.642	50	10		FFCARO
COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097862	207080402	/nfs/dbraw/zinc/08/04/02/207080402.db2.gz	HMKVRCRTPLUARS-FQEVSTJZSA-N	1	0	371.481	2.559	50	10		FFCARO
CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1	ZINC000022665376	507302763	/nfs/dbraw/zinc/30/27/63/507302763.db2.gz	HCPOFPXKTIDAMX-QFIPXVFZSA-N	1	0	366.509	2.752	50	10		FFCARO
c1ncn(-c2ncccc2C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)n1	ZINC001506400196	1059492237	/nfs/dbraw/zinc/49/22/37/1059492237.db2.gz	BMDXSAAYRIYBIN-UHFFFAOYSA-N	1	0	374.492	2.910	50	10		FFCARO
Cn1cc(C(=O)NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cn1	ZINC000054520593	506572960	/nfs/dbraw/zinc/57/29/60/506572960.db2.gz	ZFLIXTLXZSGTNC-UHFFFAOYSA-N	1	0	364.449	2.673	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccn4)C3)CC2)cc1	ZINC000022851626	507315668	/nfs/dbraw/zinc/31/56/68/507315668.db2.gz	SCHYUYOMXOUPND-OAQYLSRUSA-N	1	0	366.509	2.877	50	10		FFCARO
COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097863	207080775	/nfs/dbraw/zinc/08/07/75/207080775.db2.gz	JQZZXQYNCTYDLB-HXUWFJFHSA-N	1	0	371.481	2.559	50	10		FFCARO
C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CCOCC2)cc1	ZINC000040105765	136119347	/nfs/dbraw/zinc/11/93/47/136119347.db2.gz	OKTMCEAZSDJULZ-UHFFFAOYSA-N	1	0	371.437	2.942	50	10		FFCARO
NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)C1	ZINC000054179065	136125140	/nfs/dbraw/zinc/12/51/40/136125140.db2.gz	GWMDPSCAYQLKDM-MRXNPFEDSA-N	1	0	359.420	2.956	50	10		FFCARO
Cc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097845	506421085	/nfs/dbraw/zinc/42/10/85/506421085.db2.gz	CFEXZFANCJDMCQ-HXUWFJFHSA-N	1	0	355.482	2.859	50	10		FFCARO
C[NH+](C)Cc1cc(-c2nccn2-c2cccc(-n3cncn3)c2)ccc1O	ZINC000077565621	508335221	/nfs/dbraw/zinc/33/52/21/508335221.db2.gz	MHCGBXGJJVAZPV-UHFFFAOYSA-N	1	0	360.421	2.887	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1	ZINC000020347308	524425922	/nfs/dbraw/zinc/42/59/22/524425922.db2.gz	NMPWLFPWXCLQKV-FQEVSTJZSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(C)cc(C)c3)CC2)cc1	ZINC000085842850	524427424	/nfs/dbraw/zinc/42/74/24/524427424.db2.gz	ANHRWVDCNNUDFZ-HXUWFJFHSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1ccc(N2CCC([N@@H+]3CCCn4nc([C@@H](C)O)cc4C3)CC2)cc1	ZINC000221288007	536669525	/nfs/dbraw/zinc/66/95/25/536669525.db2.gz	WMXYQQHIPLNHRI-MRXNPFEDSA-N	1	0	370.497	2.820	50	10		FFCARO
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005098830	207079820	/nfs/dbraw/zinc/07/98/20/207079820.db2.gz	QXTFOBJJGKAZME-LJQANCHMSA-N	1	0	361.511	2.642	50	10		FFCARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)[NH+](C)C)cc1	ZINC000005097814	207079877	/nfs/dbraw/zinc/07/98/77/207079877.db2.gz	WHGAGRBECDPZGZ-QGZVFWFLSA-N	1	0	355.438	2.514	50	10		FFCARO
O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CCc1ccc(F)cc1	ZINC000011753982	207319702	/nfs/dbraw/zinc/31/97/02/207319702.db2.gz	JROQZPUVSSBNRQ-IBGZPJMESA-N	1	0	354.425	2.694	50	10		FFCARO
O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000091974354	209009631	/nfs/dbraw/zinc/00/96/31/209009631.db2.gz	KAODOMVUFOFWBL-DLBZAZTESA-N	1	0	352.434	2.834	50	10		FFCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(c4ncccn4)CC3)c2c1	ZINC000023382364	136152814	/nfs/dbraw/zinc/15/28/14/136152814.db2.gz	JLQIEBDCFBJOGF-UHFFFAOYSA-N	1	0	350.422	2.666	50	10		FFCARO
COc1cc2c(cc1OC)C[N@H+](Cc1cc3c(cc1O)OCCO3)CC2	ZINC000008851243	506671073	/nfs/dbraw/zinc/67/10/73/506671073.db2.gz	CZTODMLRZAEEGJ-UHFFFAOYSA-N	1	0	357.406	2.739	50	10		FFCARO
CC(=O)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1	ZINC000023409204	211388795	/nfs/dbraw/zinc/38/87/95/211388795.db2.gz	HCFBANBNACXBKJ-UHFFFAOYSA-N	1	0	363.255	2.972	50	10		FFCARO
O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000003251964	210458619	/nfs/dbraw/zinc/45/86/19/210458619.db2.gz	ZANKEDHIBXGUSN-FQEVSTJZSA-N	1	0	369.466	2.629	50	10		FFCARO
CCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000065362854	221202696	/nfs/dbraw/zinc/20/26/96/221202696.db2.gz	AIWRAMSGHVEDCG-UHFFFAOYSA-N	1	0	353.466	2.767	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)CC1	ZINC000072441525	136147768	/nfs/dbraw/zinc/14/77/68/136147768.db2.gz	JDJYOSSJKKBBAL-UHFFFAOYSA-N	1	0	355.457	2.827	50	10		FFCARO
COc1ccc(N2CCC([N@@H+]3CCCn4nc([C@H](C)O)cc4C3)CC2)cc1	ZINC000221287952	536669452	/nfs/dbraw/zinc/66/94/52/536669452.db2.gz	WMXYQQHIPLNHRI-INIZCTEOSA-N	1	0	370.497	2.820	50	10		FFCARO
Cc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C	ZINC000065362573	221202155	/nfs/dbraw/zinc/20/21/55/221202155.db2.gz	MGMWBJGIXCKUJO-UHFFFAOYSA-N	1	0	351.494	2.914	50	10		FFCARO
c1cnn(CC2(C[NH2+]C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1	ZINC000067587650	221261441	/nfs/dbraw/zinc/26/14/41/221261441.db2.gz	FTPJQEXKYJAYBB-UHFFFAOYSA-N	1	0	354.454	2.651	50	10		FFCARO
COCCN1C[C@H]2CC[C@@H]1C[N@@H+](C1CCN(c3ccc(OC)cc3)CC1)C2	ZINC000095381314	132209474	/nfs/dbraw/zinc/20/94/74/132209474.db2.gz	OIXPAHFANYXUNU-WIYYLYMNSA-N	1	0	373.541	2.707	50	10		FFCARO
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(OC)c1	ZINC000005097804	506420526	/nfs/dbraw/zinc/42/05/26/506420526.db2.gz	KMBKCGBAXNSFAX-LJQANCHMSA-N	1	0	371.481	2.803	50	10		FFCARO
COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097680	506421007	/nfs/dbraw/zinc/42/10/07/506421007.db2.gz	FQXQZUCCDQHQSS-KRWDZBQOSA-N	1	0	371.481	2.803	50	10		FFCARO
COc1ccc(CCN2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)cc1	ZINC000011874423	506801788	/nfs/dbraw/zinc/80/17/88/506801788.db2.gz	HRMCOYGOVZCPEN-IBGZPJMESA-N	1	0	366.461	2.563	50	10		FFCARO
CCOc1cccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1O	ZINC000020450774	521341899	/nfs/dbraw/zinc/34/18/99/521341899.db2.gz	CRBZFPMBVSHDDL-KRWDZBQOSA-N	1	0	350.503	2.706	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1ccc(F)cc1)cc2=O	ZINC000047279867	570884659	/nfs/dbraw/zinc/88/46/59/570884659.db2.gz	BIYSUZMRKMQZMC-LBPRGKRZSA-N	1	0	372.400	2.944	50	10		FFCARO
c1cc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cc2nonc12	ZINC001506419085	1059506290	/nfs/dbraw/zinc/50/62/90/1059506290.db2.gz	XBVVOBUFMDKDQA-UHFFFAOYSA-N	1	0	352.394	2.710	50	10		FFCARO
COC(=O)c1cc2ccccc2c(C[N@H+](C)CC(=O)NC(C)(C)C)c1O	ZINC000013007945	211019400	/nfs/dbraw/zinc/01/94/00/211019400.db2.gz	NRKANKZVNOMDRB-UHFFFAOYSA-N	1	0	358.438	2.679	50	10		FFCARO
Cn1cncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000237936876	132248529	/nfs/dbraw/zinc/24/85/29/132248529.db2.gz	JABYLLWTPHHRGK-UHFFFAOYSA-N	1	0	354.376	2.565	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1O	ZINC000107100543	222389439	/nfs/dbraw/zinc/38/94/39/222389439.db2.gz	WTWDTQCGQRDBLA-SFHVURJKSA-N	1	0	374.456	2.609	50	10		FFCARO
Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097842	506421296	/nfs/dbraw/zinc/42/12/96/506421296.db2.gz	ULWNCUXVGIZELN-IBGZPJMESA-N	1	0	355.482	2.859	50	10		FFCARO
O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1	ZINC000015580755	507049822	/nfs/dbraw/zinc/04/98/22/507049822.db2.gz	WNXZMPSONHAPLI-UHFFFAOYSA-N	1	0	365.477	2.940	50	10		FFCARO
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000049740691	507635433	/nfs/dbraw/zinc/63/54/33/507635433.db2.gz	GTUJCVUIMFNGBO-UHFFFAOYSA-N	1	0	373.522	2.534	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(O)c1	ZINC000020451533	524032819	/nfs/dbraw/zinc/03/28/19/524032819.db2.gz	KQPBCCWHBCNIHH-IBGZPJMESA-N	1	0	374.456	2.609	50	10		FFCARO
COc1ccc(N2CCC([NH+]3CCC(c4nc(C)n[nH]4)CC3)CC2)cc1	ZINC000670445458	571350163	/nfs/dbraw/zinc/35/01/63/571350163.db2.gz	OMNSNAGXRUWRES-UHFFFAOYSA-N	1	0	355.486	2.970	50	10		FFCARO
CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1	ZINC000022589216	211356080	/nfs/dbraw/zinc/35/60/80/211356080.db2.gz	JWKJFDPASHZWQO-GOSISDBHSA-N	1	0	372.538	2.533	50	10		FFCARO
CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1	ZINC000022589210	211357586	/nfs/dbraw/zinc/35/75/86/211357586.db2.gz	JWKJFDPASHZWQO-SFHVURJKSA-N	1	0	372.538	2.533	50	10		FFCARO
COc1cccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH2+]CC3)N2)c1O	ZINC000015830196	211144790	/nfs/dbraw/zinc/14/47/90/211144790.db2.gz	FSXZQLVIIWWRFX-KRWDZBQOSA-N	1	0	367.449	2.710	50	10	biogenic	FFCARO
C[C@@H]1CCCC[N@@H+]1C1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000065470753	136136542	/nfs/dbraw/zinc/13/65/42/136136542.db2.gz	VAZVLCXSRZOWHO-MRXNPFEDSA-N	1	0	357.498	2.943	50	10		FFCARO
CCN1C[C@H](C[N@H+](C)Cc2cc3c(cc2O)OCO3)Oc2ccccc21	ZINC000012544076	136152092	/nfs/dbraw/zinc/15/20/92/136152092.db2.gz	FSAVMLJEGKNAHO-HNNXBMFYSA-N	1	0	356.422	2.840	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3cccc(C)c3)CC2)cc1	ZINC000023230558	136152526	/nfs/dbraw/zinc/15/25/26/136152526.db2.gz	PCYHASPWAOAJLJ-LJQANCHMSA-N	1	0	356.466	2.566	50	10		FFCARO
CCCS(=O)(=O)NC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000054514199	506569856	/nfs/dbraw/zinc/56/98/56/506569856.db2.gz	ZASHMRJIJUUEQG-UHFFFAOYSA-N	1	0	362.495	2.839	50	10		FFCARO
O=C(c1cccc(O)c1O)N1CCC[N@H+](CCCc2ccccc2)CC1	ZINC000072463580	507794799	/nfs/dbraw/zinc/79/47/99/507794799.db2.gz	MKPZDGNLUZBCLH-UHFFFAOYSA-N	1	0	354.450	2.879	50	10		FFCARO
CCOc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1O	ZINC000020535376	521342636	/nfs/dbraw/zinc/34/26/36/521342636.db2.gz	HWSNVCUOLGTTPD-IBGZPJMESA-N	1	0	362.514	2.992	50	10		FFCARO
COc1ccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000057836309	536697704	/nfs/dbraw/zinc/69/77/04/536697704.db2.gz	OUEPXFRPYVMSSE-UHFFFAOYSA-N	1	0	357.410	2.804	50	10		FFCARO
O=C(NCC[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1)c1cccnc1	ZINC001506399585	1059492314	/nfs/dbraw/zinc/49/23/14/1059492314.db2.gz	ARMNNUPZDRDSJN-UHFFFAOYSA-N	1	0	364.493	2.559	50	10		FFCARO
CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N2CC[NH+](C)CC2)cc1	ZINC000023080566	211375318	/nfs/dbraw/zinc/37/53/18/211375318.db2.gz	DUISGVDKVACVLV-NRFANRHFSA-N	1	0	372.557	2.738	50	10		FFCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000000893578	210286840	/nfs/dbraw/zinc/28/68/40/210286840.db2.gz	RFIDSXBMPQZOTN-UHFFFAOYSA-N	1	0	357.410	2.627	50	10		FFCARO
COc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1O	ZINC000104299028	222354455	/nfs/dbraw/zinc/35/44/55/222354455.db2.gz	KWDURXHDRGXBGK-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(CCN2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)cc1	ZINC000011874422	506801751	/nfs/dbraw/zinc/80/17/51/506801751.db2.gz	HRMCOYGOVZCPEN-LJQANCHMSA-N	1	0	366.461	2.563	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1	ZINC000106721057	571143580	/nfs/dbraw/zinc/14/35/80/571143580.db2.gz	JZOLRQGWHDQGGX-INIZCTEOSA-N	1	0	362.495	2.531	50	10		FFCARO
COc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c(O)c1	ZINC000022851175	965959218	/nfs/dbraw/zinc/95/92/18/965959218.db2.gz	QQTFAAVWFYDZSH-HXUWFJFHSA-N	1	0	370.493	2.512	50	10		FFCARO
C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000072139184	136142406	/nfs/dbraw/zinc/14/24/06/136142406.db2.gz	YAVNHEVVROMMQQ-QGZVFWFLSA-N	1	0	353.466	2.522	50	10		FFCARO
COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097864	506420668	/nfs/dbraw/zinc/42/06/68/506420668.db2.gz	JQZZXQYNCTYDLB-FQEVSTJZSA-N	1	0	371.481	2.559	50	10		FFCARO
Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005098827	506420761	/nfs/dbraw/zinc/42/07/61/506420761.db2.gz	OFNARZRGCPZNHM-IBGZPJMESA-N	1	0	361.511	2.642	50	10		FFCARO
Cc1ccc(C)n1-c1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1	ZINC000048354342	221010041	/nfs/dbraw/zinc/01/00/41/221010041.db2.gz	FDGFKBIVCIYIGV-UHFFFAOYSA-N	1	0	355.482	2.936	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)COc3cccc(Cl)c3)cc2)CC1	ZINC000065364188	221203644	/nfs/dbraw/zinc/20/36/44/221203644.db2.gz	LNFFRRNGUGIKKM-UHFFFAOYSA-N	1	0	373.884	2.787	50	10		FFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3F)CC2)cc1	ZINC000009322041	506689288	/nfs/dbraw/zinc/68/92/88/506689288.db2.gz	OAAOEUVHOSQMQA-UHFFFAOYSA-N	1	0	371.456	2.776	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(C)n[nH]4)C3)CC2)cc1	ZINC000020453932	524434046	/nfs/dbraw/zinc/43/40/46/524434046.db2.gz	AJFNNBLBMOFFOO-FQEVSTJZSA-N	1	0	369.513	2.513	50	10		FFCARO
C[C@H](C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)Oc1cccnc1	ZINC001506400805	1059494872	/nfs/dbraw/zinc/49/48/72/1059494872.db2.gz	GKHDRWIVJLBSRR-OAHLLOKOSA-N	1	0	355.438	2.836	50	10		FFCARO
C[C@@H](O)Cc1cn(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nn1	ZINC000023398351	211387462	/nfs/dbraw/zinc/38/74/62/211387462.db2.gz	JYAPHKLXZRQOCF-QGZVFWFLSA-N	1	0	369.513	2.639	50	10		FFCARO
CCOc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1	ZINC000006910706	132837841	/nfs/dbraw/zinc/83/78/41/132837841.db2.gz	WHTRGCOWEIDWJO-UHFFFAOYSA-N	1	0	356.422	2.842	50	10		FFCARO
CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2O)C[C@H]1CCO	ZINC000104527615	222359795	/nfs/dbraw/zinc/35/97/95/222359795.db2.gz	XKZKIPRFOQGMAD-HXUWFJFHSA-N	1	0	370.493	2.860	50	10		FFCARO
CCOc1cccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1O	ZINC000039379537	506448462	/nfs/dbraw/zinc/44/84/62/506448462.db2.gz	CRBZFPMBVSHDDL-QGZVFWFLSA-N	1	0	350.503	2.706	50	10		FFCARO
Cc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097844	506420560	/nfs/dbraw/zinc/42/05/60/506420560.db2.gz	CFEXZFANCJDMCQ-FQEVSTJZSA-N	1	0	355.482	2.859	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c(O)c1	ZINC000039490447	506449797	/nfs/dbraw/zinc/44/97/97/506449797.db2.gz	MYQIISODMHBLBK-MRXNPFEDSA-N	1	0	362.495	2.531	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1	ZINC000039394328	506450169	/nfs/dbraw/zinc/45/01/69/506450169.db2.gz	PRGKVWXQUZKEAZ-LJQANCHMSA-N	1	0	374.456	2.609	50	10		FFCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cccs3)CC2)cc1	ZINC000012557982	506878872	/nfs/dbraw/zinc/87/88/72/506878872.db2.gz	HMWUMKUHRDVNOI-OAHLLOKOSA-N	1	0	359.495	2.756	50	10		FFCARO
COc1cccc(O)c1C[N@@H+]1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1	ZINC000020600721	526212976	/nfs/dbraw/zinc/21/29/76/526212976.db2.gz	RURXBKSNOOAZQD-IBGZPJMESA-N	1	0	370.493	2.778	50	10		FFCARO
COC[C@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1	ZINC001506420856	1059508233	/nfs/dbraw/zinc/50/82/33/1059508233.db2.gz	BFAGUXBKLXJEJS-SFHVURJKSA-N	1	0	355.438	2.756	50	10		FFCARO
Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4n3CCCCC4)C1)OCO2	ZINC000012884547	220038957	/nfs/dbraw/zinc/03/89/57/220038957.db2.gz	HJKMMSQKYDFAGJ-CQSZACIVSA-N	1	0	370.453	2.818	50	10		FFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)c1	ZINC000013524460	220070780	/nfs/dbraw/zinc/07/07/80/220070780.db2.gz	KHUULORLABYCOR-HXUWFJFHSA-N	1	0	371.482	2.875	50	10		FFCARO
COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1OC	ZINC000013785451	220094784	/nfs/dbraw/zinc/09/47/84/220094784.db2.gz	KHGWKLJOCHPIIP-FQEVSTJZSA-N	1	0	371.482	2.875	50	10		FFCARO
Cc1ccc(NC(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)nc1	ZINC000057090498	221084140	/nfs/dbraw/zinc/08/41/40/221084140.db2.gz	ZMHPJWKRDHTOOH-UHFFFAOYSA-N	1	0	369.421	2.675	50	10		FFCARO
CN(Cc1ccc2c(c1)CCCN2C)c1cc([C@@H]2CCC[NH2+]C2)ncn1	ZINC000067868753	221298497	/nfs/dbraw/zinc/29/84/97/221298497.db2.gz	ILWKIGHVCRCENF-GOSISDBHSA-N	1	0	351.498	2.962	50	10		FFCARO
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCC1CC[NH2+]CC1	ZINC000100163429	222238712	/nfs/dbraw/zinc/23/87/12/222238712.db2.gz	QBZVLTRQFAISOS-GHRIWEEISA-N	1	0	371.441	2.571	50	10		FFCARO
C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2c(cc1O)OCCO2	ZINC000008747030	506665981	/nfs/dbraw/zinc/66/59/81/506665981.db2.gz	YWPBXJMJUGHELE-UHFFFAOYSA-N	1	0	370.449	2.632	50	10		FFCARO
COc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1O	ZINC000022851939	507315158	/nfs/dbraw/zinc/31/51/58/507315158.db2.gz	KWDURXHDRGXBGK-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)CCC2	ZINC000025765650	507531398	/nfs/dbraw/zinc/53/13/98/507531398.db2.gz	QBCUQABIPQYTGG-UHFFFAOYSA-N	1	0	366.461	2.927	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000049740640	507634970	/nfs/dbraw/zinc/63/49/70/507634970.db2.gz	WFBFKPMUXXBIBV-UHFFFAOYSA-N	1	0	357.885	2.951	50	10		FFCARO
CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000085842846	524006721	/nfs/dbraw/zinc/00/67/21/524006721.db2.gz	PWWHDIPMDKPYFW-HXUWFJFHSA-N	1	0	370.493	2.820	50	10		FFCARO
CCN1C[C@@H](C[N@H+](C)Cc2cc3c(cc2O)OCO3)Oc2ccccc21	ZINC000012544075	136152060	/nfs/dbraw/zinc/15/20/60/136152060.db2.gz	FSAVMLJEGKNAHO-OAHLLOKOSA-N	1	0	356.422	2.840	50	10		FFCARO
COCc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC	ZINC000952988282	1011044626	/nfs/dbraw/zinc/04/46/26/1011044626.db2.gz	QQYNLLPHXBMSHF-QGZVFWFLSA-N	1	0	358.438	2.829	50	10		FFCARO
CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(OC)c1O)N[C@]2(CO)c1ccccc1	ZINC000065431449	221219180	/nfs/dbraw/zinc/21/91/80/221219180.db2.gz	HHEYIDPEAJPVHB-BAYUQKDNSA-N	1	0	368.477	2.501	50	10		FFCARO
COc1cccc(O)c1C[N@@H+]1CCN(Cc2ccc(C)cc2)[C@H](CCO)C1	ZINC000104373410	222358424	/nfs/dbraw/zinc/35/84/24/222358424.db2.gz	RURXBKSNOOAZQD-LJQANCHMSA-N	1	0	370.493	2.778	50	10		FFCARO
CC[NH+](CC)CCCNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1	ZINC000004624402	506386730	/nfs/dbraw/zinc/38/67/30/506386730.db2.gz	YDANEYZNNCZLIM-UHFFFAOYSA-N	1	0	367.453	2.989	50	10		FFCARO
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000072140594	507756008	/nfs/dbraw/zinc/75/60/08/507756008.db2.gz	DFEDMBXURAFCMA-SFHVURJKSA-N	1	0	367.493	2.831	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C	ZINC000054470734	221052999	/nfs/dbraw/zinc/05/29/99/221052999.db2.gz	WOPMBSGXTKJQBT-IRXDYDNUSA-N	1	0	360.498	2.857	50	10		FFCARO
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(C)n(-c2ccccc2Cl)c1C	ZINC000067805150	221288849	/nfs/dbraw/zinc/28/88/49/221288849.db2.gz	ZUKQHVDBUYFYRN-APWZRJJASA-N	1	0	374.916	2.785	50	10		FFCARO
CC(C)CN1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2	ZINC000003227407	506313445	/nfs/dbraw/zinc/31/34/45/506313445.db2.gz	BKKQGFQAYJHYFX-QGZVFWFLSA-N	1	0	357.446	2.910	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)C3=Cc4ccccc4OC3)cc2)CC1	ZINC000004362575	506372497	/nfs/dbraw/zinc/37/24/97/506372497.db2.gz	FIXUSHBTHHNRDY-UHFFFAOYSA-N	1	0	363.461	2.531	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCN4)CC2)cc1	ZINC000013366755	506941049	/nfs/dbraw/zinc/94/10/49/506941049.db2.gz	RYOTWSOJJHPQBZ-NRFANRHFSA-N	1	0	353.466	2.519	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1O	ZINC000020204899	525945617	/nfs/dbraw/zinc/94/56/17/525945617.db2.gz	YNRRXLPQASUYBM-IBGZPJMESA-N	1	0	374.456	2.609	50	10		FFCARO
COc1cccc(O)c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1	ZINC000020905482	526212502	/nfs/dbraw/zinc/21/25/02/526212502.db2.gz	LEAYDETUDSDRSM-SFHVURJKSA-N	1	0	374.456	2.609	50	10		FFCARO
COC[C@@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccn1	ZINC001506420846	1059509073	/nfs/dbraw/zinc/50/90/73/1059509073.db2.gz	BFAGUXBKLXJEJS-GOSISDBHSA-N	1	0	355.438	2.756	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)c(F)c1	ZINC000019220750	220240999	/nfs/dbraw/zinc/24/09/99/220240999.db2.gz	RDHTYHHYJFFHNX-SFHVURJKSA-N	1	0	374.456	2.609	50	10		FFCARO
CCOc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)cc1	ZINC000104418758	222357622	/nfs/dbraw/zinc/35/76/22/222357622.db2.gz	TYWFUCZKAMXABQ-HXUWFJFHSA-N	1	0	370.493	2.860	50	10		FFCARO
COc1cccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+]2CCCC2)c1	ZINC000225614987	509379643	/nfs/dbraw/zinc/37/96/43/509379643.db2.gz	WMDGOQSWPVUIRV-MRXNPFEDSA-N	1	0	374.412	2.812	50	10		FFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3ccco3)CC2)cc1	ZINC000096943925	536696518	/nfs/dbraw/zinc/69/65/18/536696518.db2.gz	VJDXDOMMTKIYPG-KTKRTIGZSA-N	1	0	369.465	2.630	50	10		FFCARO
c1cnc(N2CC[NH+](C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cn1	ZINC001506407010	1059498839	/nfs/dbraw/zinc/49/88/39/1059498839.db2.gz	NFJYFASUWHOTOA-UHFFFAOYSA-N	1	0	363.509	2.756	50	10		FFCARO
Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1	ZINC000057088515	221083763	/nfs/dbraw/zinc/08/37/63/221083763.db2.gz	DMUKVDNEDVGMDT-UHFFFAOYSA-N	1	0	369.421	2.675	50	10		FFCARO
Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1	ZINC000039372106	132300966	/nfs/dbraw/zinc/30/09/66/132300966.db2.gz	RGMQQGSKRDGGMR-SFHVURJKSA-N	1	0	352.482	2.840	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(O)c1	ZINC000023375568	507349812	/nfs/dbraw/zinc/34/98/12/507349812.db2.gz	FJKLOTWIXMGNGQ-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000096028114	508203067	/nfs/dbraw/zinc/20/30/67/508203067.db2.gz	GBTWAPVFXUKHOI-ZDUSSCGKSA-N	1	0	353.418	2.590	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1C	ZINC000044757251	570899101	/nfs/dbraw/zinc/89/91/01/570899101.db2.gz	KCTOUYDTNBSNJJ-GOSISDBHSA-N	1	0	359.514	2.528	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1	ZINC000257372085	971342874	/nfs/dbraw/zinc/34/28/74/971342874.db2.gz	SAXXKEWBDYUOQG-SFHVURJKSA-N	1	0	374.456	2.609	50	10		FFCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(N)=O)cc1	ZINC000013758031	220093300	/nfs/dbraw/zinc/09/33/00/220093300.db2.gz	DZRKLZVYCUHLEK-HMXCVIKNSA-N	1	0	359.514	2.686	50	10		FFCARO
CCCCNC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000023258120	220422264	/nfs/dbraw/zinc/42/22/64/220422264.db2.gz	WJABHJYLWXEEOL-UHFFFAOYSA-N	1	0	355.482	2.579	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)cc1	ZINC000023230561	136152539	/nfs/dbraw/zinc/15/25/39/136152539.db2.gz	PCYHASPWAOAJLJ-IBGZPJMESA-N	1	0	356.466	2.566	50	10		FFCARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)nc1	ZINC000026631594	136153252	/nfs/dbraw/zinc/15/32/52/136153252.db2.gz	XCKCXFZJTLCQIL-UHFFFAOYSA-N	1	0	369.465	2.903	50	10		FFCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000001218373	506257093	/nfs/dbraw/zinc/25/70/93/506257093.db2.gz	SMMIVUMNKJGVNT-UHFFFAOYSA-N	1	0	357.410	2.627	50	10		FFCARO
CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000095420062	536427801	/nfs/dbraw/zinc/42/78/01/536427801.db2.gz	YYMOETIWIOTZQF-MRXNPFEDSA-N	1	0	367.493	2.858	50	10		FFCARO
COC[C@H]([NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1)c1ccnn1C	ZINC001506419755	1059509479	/nfs/dbraw/zinc/50/94/79/1059509479.db2.gz	WMOFSDOOQSRJJG-FQEVSTJZSA-N	1	0	354.498	2.855	50	10		FFCARO
COc1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)cc1Cn1cccn1	ZINC000019338031	220252011	/nfs/dbraw/zinc/25/20/11/220252011.db2.gz	KZBMSUVABNROFP-UHFFFAOYSA-N	1	0	374.448	2.811	50	10		FFCARO
OCCN1CC[NH+]([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1	ZINC000020507287	220331612	/nfs/dbraw/zinc/33/16/12/220331612.db2.gz	SAAMDLFHGJROHF-LJQANCHMSA-N	1	0	369.490	2.701	50	10	aggregator	FFCARO
COc1ccc(O)c(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1	ZINC000020514510	524741430	/nfs/dbraw/zinc/74/14/30/524741430.db2.gz	PXWASZWSHUHEKN-IBGZPJMESA-N	1	0	362.514	2.850	50	10		FFCARO
COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1	ZINC000048748715	136123707	/nfs/dbraw/zinc/12/37/07/136123707.db2.gz	QMABXJBJNFCGCM-UHFFFAOYSA-N	1	0	360.429	2.969	50	10		FFCARO
O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c1	ZINC000013809782	506957629	/nfs/dbraw/zinc/95/76/29/506957629.db2.gz	IVUNOEOGWUEBRN-GOSISDBHSA-N	1	0	356.427	2.766	50	10		FFCARO
CC(C)(C)NC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000020633972	507230346	/nfs/dbraw/zinc/23/03/46/507230346.db2.gz	MMRUBZMSOSLJLY-UHFFFAOYSA-N	1	0	355.482	2.578	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccccc1)cc2=O	ZINC000103246398	570847252	/nfs/dbraw/zinc/84/72/52/570847252.db2.gz	UDDQLHGXLGVKEO-QGZVFWFLSA-N	1	0	366.421	2.949	50	10		FFCARO
CC[NH+](CC)CCNC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1	ZINC000004623063	204150220	/nfs/dbraw/zinc/15/02/20/204150220.db2.gz	CZTSTLYORARMEM-UHFFFAOYSA-N	1	0	353.426	2.599	50	10		FFCARO
COc1cccc(OC)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097679	204192118	/nfs/dbraw/zinc/19/21/18/204192118.db2.gz	FQXQZUCCDQHQSS-QGZVFWFLSA-N	1	0	371.481	2.803	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(O)c1	ZINC000039379933	205044633	/nfs/dbraw/zinc/04/46/33/205044633.db2.gz	KQPBCCWHBCNIHH-LJQANCHMSA-N	1	0	374.456	2.609	50	10		FFCARO
O=c1[nH]nc(CC2CC[NH+](Cc3ccccc3O)CC2)n1-c1ccccc1	ZINC000067805117	205393040	/nfs/dbraw/zinc/39/30/40/205393040.db2.gz	SKSYCYJBRHKKLF-UHFFFAOYSA-N	1	0	364.449	2.721	50	10		FFCARO
CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(F)cc2)[NH+](C)C)cc1	ZINC000022418361	206378041	/nfs/dbraw/zinc/37/80/41/206378041.db2.gz	BSVUFCSBTLGKQD-LJQANCHMSA-N	1	0	358.461	2.994	50	10		FFCARO
CC[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3)cc2)CC1	ZINC000064756234	136133705	/nfs/dbraw/zinc/13/37/05/136133705.db2.gz	FLTPQHLEKWKUOX-UHFFFAOYSA-N	1	0	353.466	2.524	50	10		FFCARO
CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)c1O	ZINC000015855968	507063767	/nfs/dbraw/zinc/06/37/67/507063767.db2.gz	GKSLLOCEZUFHPE-UHFFFAOYSA-N	1	0	358.438	2.912	50	10		FFCARO
CCOc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)cc1	ZINC000022925718	507320774	/nfs/dbraw/zinc/32/07/74/507320774.db2.gz	TYWFUCZKAMXABQ-FQEVSTJZSA-N	1	0	370.493	2.860	50	10		FFCARO
CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ncccn3)ccc2O)C1	ZINC000299797469	511684091	/nfs/dbraw/zinc/68/40/91/511684091.db2.gz	OZKSDZIJWGKWRM-KRWDZBQOSA-N	1	0	368.481	2.930	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)cc1C	ZINC000020599944	524032608	/nfs/dbraw/zinc/03/26/08/524032608.db2.gz	DWYWECVZSAFVLH-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1	ZINC000299739492	205115909	/nfs/dbraw/zinc/11/59/09/205115909.db2.gz	PDVIDWRVQBJRMB-INIZCTEOSA-N	1	0	369.465	2.547	50	10		FFCARO
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCC1CC[NH2+]CC1	ZINC000017748153	206322790	/nfs/dbraw/zinc/32/27/90/206322790.db2.gz	QBZVLTRQFAISOS-LGMDPLHJSA-N	1	0	371.441	2.571	50	10		FFCARO
OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc3cccnc3c2O)CC1	ZINC000019791695	206325738	/nfs/dbraw/zinc/32/57/38/206325738.db2.gz	PZPDIHSNPVGTMR-NRFANRHFSA-N	1	0	363.461	2.640	50	10		FFCARO
C[C@H]1CCCC[N@@H+]1C1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000065470755	136136561	/nfs/dbraw/zinc/13/65/61/136136561.db2.gz	VAZVLCXSRZOWHO-INIZCTEOSA-N	1	0	357.498	2.943	50	10		FFCARO
COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CO[C@@H]6CCN2[C@@H]1[C@@H]6[C@H]5C[C@H]43	ZINC000247955621	509200033	/nfs/dbraw/zinc/20/00/33/509200033.db2.gz	ODSKQEUFTBWNLH-FJNZEDANSA-N	1	0	366.461	2.541	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1	ZINC000020600592	524742371	/nfs/dbraw/zinc/74/23/71/524742371.db2.gz	PRGKVWXQUZKEAZ-IBGZPJMESA-N	1	0	374.456	2.609	50	10		FFCARO
Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000121012572	132300794	/nfs/dbraw/zinc/30/07/94/132300794.db2.gz	QYBFWCMAVQSUHI-UHFFFAOYSA-N	1	0	354.376	2.863	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)cc3)CC2)cc1	ZINC000020724987	524426022	/nfs/dbraw/zinc/42/60/22/524426022.db2.gz	ZRZVQTKZLDCQLH-LJQANCHMSA-N	1	0	356.466	2.566	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)cc3)CC2)cc1	ZINC000020724993	524427867	/nfs/dbraw/zinc/42/78/67/524427867.db2.gz	ZRZVQTKZLDCQLH-IBGZPJMESA-N	1	0	356.466	2.566	50	10		FFCARO
CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000095420061	536427107	/nfs/dbraw/zinc/42/71/07/536427107.db2.gz	YYMOETIWIOTZQF-INIZCTEOSA-N	1	0	367.493	2.858	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C(C)C	ZINC000054520604	205202277	/nfs/dbraw/zinc/20/22/77/205202277.db2.gz	DHIOQNAOVRMEDG-UHFFFAOYSA-N	1	0	370.497	2.952	50	10		FFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1	ZINC000013524455	506942650	/nfs/dbraw/zinc/94/26/50/506942650.db2.gz	KHUULORLABYCOR-FQEVSTJZSA-N	1	0	371.482	2.875	50	10		FFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000022734742	507305861	/nfs/dbraw/zinc/30/58/61/507305861.db2.gz	OVMUSRVINDUAFJ-HXUWFJFHSA-N	1	0	372.557	2.520	50	10		FFCARO
COc1ccc(N2CC[NH+](CCCNc3ncccc3[N+](=O)[O-])CC2)cc1	ZINC000023703208	507367170	/nfs/dbraw/zinc/36/71/70/507367170.db2.gz	NQUSAMLYNWTFAB-UHFFFAOYSA-N	1	0	371.441	2.623	50	10		FFCARO
COc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1	ZINC000004176947	204126253	/nfs/dbraw/zinc/12/62/53/204126253.db2.gz	ZFQJVQRKLKPQKU-HXUWFJFHSA-N	1	0	371.482	2.875	50	10		FFCARO
Cc1ccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000065363037	205338732	/nfs/dbraw/zinc/33/87/32/205338732.db2.gz	PFCDIBKRPRKBPA-UHFFFAOYSA-N	1	0	351.494	2.996	50	10		FFCARO
Cc1nc(C2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)cc(=O)[nH]1	ZINC000023379906	136152776	/nfs/dbraw/zinc/15/27/76/136152776.db2.gz	GOYIRZPEEOUONJ-UHFFFAOYSA-N	1	0	352.482	2.840	50	10		FFCARO
COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1	ZINC000022919039	507319258	/nfs/dbraw/zinc/31/92/58/507319258.db2.gz	LIAMVZOFBZKLKU-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
COC[C@@H]([NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1)c1ccnn1C	ZINC001506419759	1059510141	/nfs/dbraw/zinc/51/01/41/1059510141.db2.gz	WMOFSDOOQSRJJG-HXUWFJFHSA-N	1	0	354.498	2.855	50	10		FFCARO
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccncc1	ZINC000020289464	206329881	/nfs/dbraw/zinc/32/98/81/206329881.db2.gz	UJTVHUGPOKAYTM-NBVRZTHBSA-N	1	0	364.474	2.870	50	10		FFCARO
Cc1cc(C)cc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000072436836	136147318	/nfs/dbraw/zinc/14/73/18/136147318.db2.gz	OONIVXUHTKBJPQ-UHFFFAOYSA-N	1	0	367.493	2.750	50	10		FFCARO
Oc1ccc(C2(C[NH2+]C[C@@H](O)COc3ccccc3)CCCC2)cc1O	ZINC000022589344	507300363	/nfs/dbraw/zinc/30/03/63/507300363.db2.gz	HMMSSCFHAFOLSO-QGZVFWFLSA-N	1	0	357.450	2.939	50	10		FFCARO
CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000085842847	524006320	/nfs/dbraw/zinc/00/63/20/524006320.db2.gz	PWWHDIPMDKPYFW-FQEVSTJZSA-N	1	0	370.493	2.820	50	10		FFCARO
COc1ccccc1/C=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000078578732	524313379	/nfs/dbraw/zinc/31/33/79/524313379.db2.gz	WUIFQNFLVVTQAH-FMIVXFBMSA-N	1	0	365.477	2.777	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)cc3C)CC2)cc1	ZINC000084460000	524426727	/nfs/dbraw/zinc/42/67/27/524426727.db2.gz	TYLZLAMUMVIJRZ-HXUWFJFHSA-N	1	0	370.493	2.874	50	10		FFCARO
Cc1cc(I)cc(CN(C)CCC[NH+](C)C)c1O	ZINC000002390008	204036811	/nfs/dbraw/zinc/03/68/11/204036811.db2.gz	GFSRNGJEVLAEDY-UHFFFAOYSA-N	1	0	362.255	2.689	50	10		FFCARO
C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C[C@@H](C)O1	ZINC000054470869	205201247	/nfs/dbraw/zinc/20/12/47/205201247.db2.gz	OWRDBBWPOJKKEI-HZPDHXFCSA-N	1	0	372.509	2.729	50	10		FFCARO
O=S1(=O)N=C(Nc2ccc(O)c(C[NH+]3CCCCC3)c2)c2ccccc21	ZINC000000872512	506236488	/nfs/dbraw/zinc/23/64/88/506236488.db2.gz	UOWOGGFKPZGUTH-UHFFFAOYSA-N	1	0	371.462	2.939	50	10		FFCARO
CCOc1cccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1O	ZINC000019299787	507164892	/nfs/dbraw/zinc/16/48/92/507164892.db2.gz	DBFZKKQIMZIJAA-SFHVURJKSA-N	1	0	374.481	2.761	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)cc1	ZINC000022608936	507300578	/nfs/dbraw/zinc/30/05/78/507300578.db2.gz	INAITHUERKFASL-LJQANCHMSA-N	1	0	356.466	2.566	50	10		FFCARO
CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ncccn3)ccc2O)C1	ZINC000299797476	511684526	/nfs/dbraw/zinc/68/45/26/511684526.db2.gz	OZKSDZIJWGKWRM-QGZVFWFLSA-N	1	0	368.481	2.930	50	10		FFCARO
COc1cc(OC)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000004323015	207013962	/nfs/dbraw/zinc/01/39/62/207013962.db2.gz	IRUJRMMSBIMLOS-HXUWFJFHSA-N	1	0	371.481	2.803	50	10		FFCARO
COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(OC)c1	ZINC000048748667	136123690	/nfs/dbraw/zinc/12/36/90/136123690.db2.gz	DLKHXAXLTUPDIC-UHFFFAOYSA-N	1	0	360.429	2.969	50	10		FFCARO
COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc2c1OCO2	ZINC000048748737	136123715	/nfs/dbraw/zinc/12/37/15/136123715.db2.gz	CPOHMKSDPOOABF-UHFFFAOYSA-N	1	0	374.412	2.689	50	10		FFCARO
CC(C)CN1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1SCCC2	ZINC000003227408	506312596	/nfs/dbraw/zinc/31/25/96/506312596.db2.gz	BKKQGFQAYJHYFX-KRWDZBQOSA-N	1	0	357.446	2.910	50	10		FFCARO
COc1cccc(-c2ccc(O)c(C[NH2+]CCCN3CCCC3=O)c2)n1	ZINC000299784451	511679718	/nfs/dbraw/zinc/67/97/18/511679718.db2.gz	ONWHAGIJWBQDBH-UHFFFAOYSA-N	1	0	355.438	2.565	50	10		FFCARO
COc1ccc(C[NH2+]Cc2ccc3nsnc3c2)cc1Cn1cncn1	ZINC000952873516	1011005267	/nfs/dbraw/zinc/00/52/67/1011005267.db2.gz	ZYNGYCYOCKPSBT-UHFFFAOYSA-N	1	0	366.450	2.630	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1O	ZINC000039364560	208211386	/nfs/dbraw/zinc/21/13/86/208211386.db2.gz	YNRRXLPQASUYBM-LJQANCHMSA-N	1	0	374.456	2.609	50	10		FFCARO
Cc1ccc(C)c(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000072434194	136147225	/nfs/dbraw/zinc/14/72/25/136147225.db2.gz	SMFUGDCCERVJGW-UHFFFAOYSA-N	1	0	351.494	2.914	50	10		FFCARO
Cc1ccccc1[N+]1=C2SCCN2[C@@](O)(c2cccc([N+](=O)[O-])c2)C1	ZINC000002966049	506303997	/nfs/dbraw/zinc/30/39/97/506303997.db2.gz	CULNJGCBQBBKBF-SFHVURJKSA-N	1	0	356.427	2.684	50	10		FFCARO
COc1cc(C)cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O	ZINC000022038671	507278268	/nfs/dbraw/zinc/27/82/68/507278268.db2.gz	ZIPCJTWMNXJMQY-UHFFFAOYSA-N	1	0	370.449	2.756	50	10		FFCARO
COCc1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)ccc1OC	ZINC000952988277	1011045509	/nfs/dbraw/zinc/04/55/09/1011045509.db2.gz	QQYNLLPHXBMSHF-KRWDZBQOSA-N	1	0	358.438	2.829	50	10		FFCARO
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(OC)c1	ZINC000005097805	207080268	/nfs/dbraw/zinc/08/02/68/207080268.db2.gz	KMBKCGBAXNSFAX-IBGZPJMESA-N	1	0	371.481	2.803	50	10		FFCARO
O=C(C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)N1CCCCCC1	ZINC000008185999	207222523	/nfs/dbraw/zinc/22/25/23/207222523.db2.gz	UCDMQSSDJLZUKX-UHFFFAOYSA-N	1	0	360.454	2.736	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1cccc(F)c1)cc2=O	ZINC000047279639	208376444	/nfs/dbraw/zinc/37/64/44/208376444.db2.gz	RXYDTJYYKJZLMG-UHFFFAOYSA-N	1	0	372.400	2.773	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)C=C(C)C)C3)CC2)cc1	ZINC000055271453	136126461	/nfs/dbraw/zinc/12/64/61/136126461.db2.gz	JEADFBYWBQJUBV-LJQANCHMSA-N	1	0	357.498	2.774	50	10		FFCARO
COc1cccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH2+]CC3)N2)c1O	ZINC000015830198	507063257	/nfs/dbraw/zinc/06/32/57/507063257.db2.gz	FSXZQLVIIWWRFX-QGZVFWFLSA-N	1	0	367.449	2.710	50	10	biogenic	FFCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(C)n[nH]4)C3)CC2)cc1	ZINC000020453930	524432521	/nfs/dbraw/zinc/43/25/21/524432521.db2.gz	AJFNNBLBMOFFOO-HXUWFJFHSA-N	1	0	369.513	2.513	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1C	ZINC000044757249	208318329	/nfs/dbraw/zinc/31/83/29/208318329.db2.gz	KCTOUYDTNBSNJJ-SFHVURJKSA-N	1	0	359.514	2.528	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCN4)CC2)cc1	ZINC000013366752	506941632	/nfs/dbraw/zinc/94/16/32/506941632.db2.gz	RYOTWSOJJHPQBZ-OAQYLSRUSA-N	1	0	353.466	2.519	50	10		FFCARO
Cc1ccccc1NC(=O)C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067696206	506978581	/nfs/dbraw/zinc/97/85/81/506978581.db2.gz	LPEPEJDYGUXWFC-UHFFFAOYSA-N	1	0	367.449	2.921	50	10		FFCARO
Cc1n[nH]c(C)c1CCC[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067852413	507026586	/nfs/dbraw/zinc/02/65/86/507026586.db2.gz	RTKMMIMRFORVKR-UHFFFAOYSA-N	1	0	356.470	2.946	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c1O	ZINC000022852928	507315719	/nfs/dbraw/zinc/31/57/19/507315719.db2.gz	QUYLEIIEIOGCGT-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c(O)c1	ZINC000023359977	507347693	/nfs/dbraw/zinc/34/76/93/507347693.db2.gz	MYQIISODMHBLBK-INIZCTEOSA-N	1	0	362.495	2.531	50	10		FFCARO
C[C@H](O)Cc1cn(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nn1	ZINC000023398354	507351405	/nfs/dbraw/zinc/35/14/05/507351405.db2.gz	JYAPHKLXZRQOCF-KRWDZBQOSA-N	1	0	369.513	2.639	50	10		FFCARO
C[C@@H](C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)Oc1cccnc1	ZINC001506400802	1059493819	/nfs/dbraw/zinc/49/38/19/1059493819.db2.gz	GKHDRWIVJLBSRR-HNNXBMFYSA-N	1	0	355.438	2.836	50	10		FFCARO
CCNC(=O)N1CCC([NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)CC1	ZINC001506404044	1059495989	/nfs/dbraw/zinc/49/59/89/1059495989.db2.gz	FKBVBHLWQORJKX-UHFFFAOYSA-N	1	0	370.541	2.928	50	10		FFCARO
O=C(C1CC[NH+](Cc2ccccc2O)CC1)N(CCO)Cc1ccccc1	ZINC000004725530	207042014	/nfs/dbraw/zinc/04/20/14/207042014.db2.gz	XOIUVCHOMLLUNO-UHFFFAOYSA-N	1	0	368.477	2.625	50	10		FFCARO
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1OC	ZINC000005097682	207080998	/nfs/dbraw/zinc/08/09/98/207080998.db2.gz	CADLBJCRDKKMIM-SFHVURJKSA-N	1	0	371.481	2.803	50	10		FFCARO
CCCCNC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000055307348	136126357	/nfs/dbraw/zinc/12/63/57/136126357.db2.gz	MKDLDOTULXFGFE-LJQANCHMSA-N	1	0	374.529	2.791	50	10		FFCARO
C[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000072139183	136142402	/nfs/dbraw/zinc/14/24/02/136142402.db2.gz	YAVNHEVVROMMQQ-KRWDZBQOSA-N	1	0	353.466	2.522	50	10		FFCARO
CC(C)(C)c1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1O	ZINC000067755484	506998693	/nfs/dbraw/zinc/99/86/93/506998693.db2.gz	GMMKSCOBXOKAJG-UHFFFAOYSA-N	1	0	360.498	2.761	50	10		FFCARO
O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2ccc(O)c(O)c2o1	ZINC000019370419	507170370	/nfs/dbraw/zinc/17/03/70/507170370.db2.gz	ZQONSSLYCOVARI-UHFFFAOYSA-N	1	0	366.417	2.522	50	10	biogenic	FFCARO
CN1CCCc2cc([C@H](CNC(=O)C(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000022734739	507305263	/nfs/dbraw/zinc/30/52/63/507305263.db2.gz	OVMUSRVINDUAFJ-FQEVSTJZSA-N	1	0	372.557	2.520	50	10		FFCARO
C[C@@H](C[NH+](C)C)Nc1ccc(N=Nc2c[nH]c(=O)[nH]c2=O)c2ccccc12	ZINC000071767015	571107101	/nfs/dbraw/zinc/10/71/01/571107101.db2.gz	HNNFJEIGERJMOE-YRMYODQKSA-N	1	0	366.425	2.994	50	10		FFCARO
COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1OC	ZINC000048748692	136123733	/nfs/dbraw/zinc/12/37/33/136123733.db2.gz	LVHVKTUXVPLJKZ-UHFFFAOYSA-N	1	0	360.429	2.969	50	10		FFCARO
CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(F)cc2)[NH+](C)C)cc1	ZINC000022418359	507291752	/nfs/dbraw/zinc/29/17/52/507291752.db2.gz	BSVUFCSBTLGKQD-IBGZPJMESA-N	1	0	358.461	2.994	50	10		FFCARO
Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(O)c1O	ZINC000075107749	508083101	/nfs/dbraw/zinc/08/31/01/508083101.db2.gz	SBHNRQXWVZUTSV-UHFFFAOYSA-N	1	0	354.450	2.973	50	10		FFCARO
COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000584904480	518532004	/nfs/dbraw/zinc/53/20/04/518532004.db2.gz	KZWGVUGGQVXPMA-UHFFFAOYSA-N	1	0	354.450	2.929	50	10		FFCARO
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1OC	ZINC000005097808	207080578	/nfs/dbraw/zinc/08/05/78/207080578.db2.gz	RUQBGDYMXLEGSK-GOSISDBHSA-N	1	0	371.481	2.803	50	10		FFCARO
NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)C1	ZINC000054179063	136125224	/nfs/dbraw/zinc/12/52/24/136125224.db2.gz	GWMDPSCAYQLKDM-INIZCTEOSA-N	1	0	359.420	2.956	50	10		FFCARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1	ZINC000020820406	263382894	/nfs/dbraw/zinc/38/28/94/263382894.db2.gz	YDSBHNYKEUXATI-OAHLLOKOSA-N	1	0	370.449	2.774	50	10		FFCARO
O=C(NCc1ccc(O)cc1O)N1CCC[N@H+](Cc2cccs2)CC1	ZINC000534637764	517976905	/nfs/dbraw/zinc/97/69/05/517976905.db2.gz	BZLONMMKLCMTCT-UHFFFAOYSA-N	1	0	361.467	2.577	50	10		FFCARO
C[NH+](C)CCCNc1ccc(N=Nc2c[nH]c(=O)[nH]c2=O)c2ccccc12	ZINC000071767011	571107082	/nfs/dbraw/zinc/10/70/82/571107082.db2.gz	LOVMZNXEIVREFB-WCWDXBQESA-N	1	0	366.425	2.995	50	10		FFCARO
COc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c(O)c1	ZINC000022930817	966541157	/nfs/dbraw/zinc/54/11/57/966541157.db2.gz	QQTFAAVWFYDZSH-FQEVSTJZSA-N	1	0	370.493	2.512	50	10		FFCARO
NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC000952980312	1011025762	/nfs/dbraw/zinc/02/57/62/1011025762.db2.gz	ZEUQNELAJWVSJT-QFIPXVFZSA-N	1	0	363.505	2.830	50	10		FFCARO
COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097861	207079930	/nfs/dbraw/zinc/07/99/30/207079930.db2.gz	HMKVRCRTPLUARS-HXUWFJFHSA-N	1	0	371.481	2.559	50	10		FFCARO
CCn1c(=O)n(C)nc1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1	ZINC000067740883	506995747	/nfs/dbraw/zinc/99/57/47/506995747.db2.gz	UVZWVSUHNGZBNF-UHFFFAOYSA-N	1	0	369.513	2.582	50	10		FFCARO
O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCOCC1	ZINC000014980971	507008556	/nfs/dbraw/zinc/00/85/56/507008556.db2.gz	LLFRJEOIZLSFLL-UHFFFAOYSA-N	1	0	366.889	2.897	50	10		FFCARO
COc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)c(F)c1	ZINC000104422837	508334992	/nfs/dbraw/zinc/33/49/92/508334992.db2.gz	RDHTYHHYJFFHNX-GOSISDBHSA-N	1	0	374.456	2.609	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(C)cc(C)c3)CC2)cc1	ZINC000085842851	524426471	/nfs/dbraw/zinc/42/64/71/524426471.db2.gz	ANHRWVDCNNUDFZ-FQEVSTJZSA-N	1	0	370.493	2.874	50	10		FFCARO
CCN(CC)c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000019691181	211245198	/nfs/dbraw/zinc/24/51/98/211245198.db2.gz	UVIWKFADOKMKEF-UHFFFAOYSA-N	1	0	361.511	2.513	50	10		FFCARO
Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000098087180	132231895	/nfs/dbraw/zinc/23/18/95/132231895.db2.gz	POJUPGPTXVPLDT-GOSISDBHSA-N	1	0	367.493	2.831	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4c[nH]c(C)n4)C3)CC2)cc1	ZINC000020452220	524435248	/nfs/dbraw/zinc/43/52/48/524435248.db2.gz	RCKNHIOCNSZBGA-FQEVSTJZSA-N	1	0	369.513	2.513	50	10		FFCARO
OCC[C@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccc(F)c(F)c1	ZINC000023357975	211383611	/nfs/dbraw/zinc/38/36/11/211383611.db2.gz	CBTOGAVRZIVBCX-KRWDZBQOSA-N	1	0	362.420	2.739	50	10		FFCARO
COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1OC	ZINC000013785453	211059154	/nfs/dbraw/zinc/05/91/54/211059154.db2.gz	KHGWKLJOCHPIIP-HXUWFJFHSA-N	1	0	371.482	2.875	50	10		FFCARO
Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000065363391	221202116	/nfs/dbraw/zinc/20/21/16/221202116.db2.gz	OBZSATPUAQSTDV-UHFFFAOYSA-N	1	0	367.493	2.750	50	10		FFCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccn4)C3)CC2)cc1	ZINC000022851627	507315858	/nfs/dbraw/zinc/31/58/58/507315858.db2.gz	SCHYUYOMXOUPND-NRFANRHFSA-N	1	0	366.509	2.877	50	10		FFCARO
CN(C)C(=O)c1c2cc(O)c(-c3cccnc3)cc2n(C)c1C[NH+](C)C	ZINC000075567750	508117693	/nfs/dbraw/zinc/11/76/93/508117693.db2.gz	MIVSREWABFGZBH-UHFFFAOYSA-N	1	0	352.438	2.709	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)c(C)c3)CC2)cc1	ZINC000085842848	524427345	/nfs/dbraw/zinc/42/73/45/524427345.db2.gz	LDIAPJSWBBATLC-HXUWFJFHSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(C)ccc3C)CC2)cc1	ZINC000001156082	536698646	/nfs/dbraw/zinc/69/86/46/536698646.db2.gz	DZGAMMTYPPOLDX-HXUWFJFHSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)cc1Cn1cncn1	ZINC000952968246	1011027634	/nfs/dbraw/zinc/02/76/34/1011027634.db2.gz	BKZXOPBUMDFCEE-UHFFFAOYSA-N	1	0	374.448	2.811	50	10		FFCARO
O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000012908288	211004908	/nfs/dbraw/zinc/00/49/08/211004908.db2.gz	VWYFENLUIPMCLE-AWEZNQCLSA-N	1	0	354.406	2.972	50	10		FFCARO
CN(C)c1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1	ZINC000009096546	210816419	/nfs/dbraw/zinc/81/64/19/210816419.db2.gz	NIHBGIBPDSDYQG-UHFFFAOYSA-N	1	0	354.483	2.610	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)cc1C	ZINC000032888228	220690622	/nfs/dbraw/zinc/69/06/22/220690622.db2.gz	MLBOYPJEJCNAQJ-UHFFFAOYSA-N	1	0	369.513	2.645	50	10		FFCARO
COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097860	506421029	/nfs/dbraw/zinc/42/10/29/506421029.db2.gz	JLPSYLJPURFPHK-SFHVURJKSA-N	1	0	371.481	2.559	50	10		FFCARO
CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccccn3)CC2)c1O	ZINC000006350715	506479483	/nfs/dbraw/zinc/47/94/83/506479483.db2.gz	JQVCBBVZICWPSB-UHFFFAOYSA-N	1	0	369.465	2.714	50	10		FFCARO
Cc1cc(O)c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C	ZINC000054470728	506562937	/nfs/dbraw/zinc/56/29/37/506562937.db2.gz	WOPMBSGXTKJQBT-CALCHBBNSA-N	1	0	360.498	2.857	50	10		FFCARO
O=c1[nH]c2ccc(C[NH2+]C3CCN(c4ccc5c(c4)OCO5)CC3)cc2[nH]1	ZINC000952989801	1011049223	/nfs/dbraw/zinc/04/92/23/1011049223.db2.gz	PKCXZOCCBCEZBH-UHFFFAOYSA-N	1	0	366.421	2.756	50	10		FFCARO
OCC[C@@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccc(F)c(F)c1	ZINC000023357973	211385071	/nfs/dbraw/zinc/38/50/71/211385071.db2.gz	CBTOGAVRZIVBCX-QGZVFWFLSA-N	1	0	362.420	2.739	50	10		FFCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+][C@H]1CN2CCC1CC2	ZINC000020254584	211274065	/nfs/dbraw/zinc/27/40/65/211274065.db2.gz	VYDYLXWIOHVJRQ-SFHVURJKSA-N	1	0	352.434	2.972	50	10		FFCARO
CCCCNC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000055307347	136126402	/nfs/dbraw/zinc/12/64/02/136126402.db2.gz	MKDLDOTULXFGFE-IBGZPJMESA-N	1	0	374.529	2.791	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccccc1)cc2=O	ZINC000103246404	222328113	/nfs/dbraw/zinc/32/81/13/222328113.db2.gz	UDDQLHGXLGVKEO-KRWDZBQOSA-N	1	0	366.421	2.949	50	10		FFCARO
COc1cccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c1O	ZINC000001179418	506254191	/nfs/dbraw/zinc/25/41/91/506254191.db2.gz	ONCVDXXKRAOBDD-UHFFFAOYSA-N	1	0	368.477	2.972	50	10		FFCARO
O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000003251966	506316897	/nfs/dbraw/zinc/31/68/97/506316897.db2.gz	ZANKEDHIBXGUSN-HXUWFJFHSA-N	1	0	369.466	2.629	50	10		FFCARO
Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097843	506421104	/nfs/dbraw/zinc/42/11/04/506421104.db2.gz	ULWNCUXVGIZELN-LJQANCHMSA-N	1	0	355.482	2.859	50	10		FFCARO
Oc1ccc(C2(C[NH2+]C[C@H](O)COc3ccccc3)CCCC2)cc1O	ZINC000022589339	211356715	/nfs/dbraw/zinc/35/67/15/211356715.db2.gz	HMMSSCFHAFOLSO-KRWDZBQOSA-N	1	0	357.450	2.939	50	10		FFCARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1	ZINC000020820409	211296468	/nfs/dbraw/zinc/29/64/68/211296468.db2.gz	YDSBHNYKEUXATI-HNNXBMFYSA-N	1	0	370.449	2.774	50	10		FFCARO
COc1cccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1O	ZINC000104306728	222355668	/nfs/dbraw/zinc/35/56/68/222355668.db2.gz	QUYLEIIEIOGCGT-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(N)=O)cc1	ZINC000013758027	211058146	/nfs/dbraw/zinc/05/81/46/211058146.db2.gz	DZRKLZVYCUHLEK-CEWLAPEOSA-N	1	0	359.514	2.686	50	10		FFCARO
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000065363071	221201955	/nfs/dbraw/zinc/20/19/55/221201955.db2.gz	KRMPCZUVCDTZFA-GOSISDBHSA-N	1	0	367.493	2.831	50	10		FFCARO
COc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	ZINC000054178921	136125202	/nfs/dbraw/zinc/12/52/02/136125202.db2.gz	BHJZWRUJPMCPCR-SFHVURJKSA-N	1	0	353.466	2.687	50	10		FFCARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c(O)c1	ZINC000020777279	524033403	/nfs/dbraw/zinc/03/34/03/524033403.db2.gz	WCNXSNJILUCASS-FQEVSTJZSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1	ZINC000039379727	571142161	/nfs/dbraw/zinc/14/21/61/571142161.db2.gz	JZOLRQGWHDQGGX-MRXNPFEDSA-N	1	0	362.495	2.531	50	10		FFCARO
CCc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000071384664	136139084	/nfs/dbraw/zinc/13/90/84/136139084.db2.gz	VCSLVMRNNPJTQD-UHFFFAOYSA-N	1	0	351.494	2.860	50	10		FFCARO
COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1	ZINC000104412625	222358333	/nfs/dbraw/zinc/35/83/33/222358333.db2.gz	LIAMVZOFBZKLKU-HXUWFJFHSA-N	1	0	370.493	2.778	50	10		FFCARO
COc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1	ZINC000004176949	506364695	/nfs/dbraw/zinc/36/46/95/506364695.db2.gz	ZFQJVQRKLKPQKU-FQEVSTJZSA-N	1	0	371.482	2.875	50	10		FFCARO
C[C@H]1CN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C[C@H](C)O1	ZINC000054470866	506562839	/nfs/dbraw/zinc/56/28/39/506562839.db2.gz	OWRDBBWPOJKKEI-HOTGVXAUSA-N	1	0	372.509	2.729	50	10		FFCARO
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000072139247	507757081	/nfs/dbraw/zinc/75/70/81/507757081.db2.gz	JCIIOILJIQAKSU-MRXNPFEDSA-N	1	0	371.456	2.661	50	10		FFCARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)[NH+](C)C)cc1	ZINC000005097815	210601034	/nfs/dbraw/zinc/60/10/34/210601034.db2.gz	WHGAGRBECDPZGZ-KRWDZBQOSA-N	1	0	355.438	2.514	50	10		FFCARO
C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000048355236	136123507	/nfs/dbraw/zinc/12/35/07/136123507.db2.gz	MRJGYPWSWJXGDR-AWEZNQCLSA-N	1	0	360.889	2.921	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(Cl)c3)cc2)CC1	ZINC000071375362	136138955	/nfs/dbraw/zinc/13/89/55/136138955.db2.gz	BASKYCXYLVDHHN-UHFFFAOYSA-N	1	0	357.885	2.951	50	10		FFCARO
COc1ccc(O)c(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1	ZINC000022934557	966593073	/nfs/dbraw/zinc/59/30/73/966593073.db2.gz	HOYAEFISFNIJMQ-FQEVSTJZSA-N	1	0	370.493	2.512	50	10		FFCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+][C@@H]1CN2CCC1CC2	ZINC000020254582	220320892	/nfs/dbraw/zinc/32/08/92/220320892.db2.gz	VYDYLXWIOHVJRQ-GOSISDBHSA-N	1	0	352.434	2.972	50	10		FFCARO
C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C[C@H](C)O1	ZINC000054470865	221053260	/nfs/dbraw/zinc/05/32/60/221053260.db2.gz	OWRDBBWPOJKKEI-IYBDPMFKSA-N	1	0	372.509	2.729	50	10		FFCARO
CN(C)c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3)cc1	ZINC000034812155	506372877	/nfs/dbraw/zinc/37/28/77/506372877.db2.gz	LXFFAYGHWZMIGV-UHFFFAOYSA-N	1	0	350.466	2.900	50	10		FFCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(N)=O)cc1	ZINC000005137372	506423718	/nfs/dbraw/zinc/42/37/18/506423718.db2.gz	DZRKLZVYCUHLEK-TYPHKJRUSA-N	1	0	359.514	2.686	50	10		FFCARO
CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)N2CC[NH+](C)CC2)cc1	ZINC000023080568	507327780	/nfs/dbraw/zinc/32/77/80/507327780.db2.gz	DUISGVDKVACVLV-OAQYLSRUSA-N	1	0	372.557	2.738	50	10		FFCARO
CC[NH+]1CCC(N(CCc2ccccn2)C(=O)Cc2ccc(N)cc2)CC1	ZINC001506414677	1059503215	/nfs/dbraw/zinc/50/32/15/1059503215.db2.gz	IFBNBNGJIIVPHD-UHFFFAOYSA-N	1	0	366.509	2.762	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(C)ccc3C)CC2)cc1	ZINC000001156083	132380542	/nfs/dbraw/zinc/38/05/42/132380542.db2.gz	DZGAMMTYPPOLDX-FQEVSTJZSA-N	1	0	370.493	2.874	50	10		FFCARO
Cc1ccc(C)c(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1	ZINC000096930765	222142584	/nfs/dbraw/zinc/14/25/84/222142584.db2.gz	YBPOKYZPDPAQPW-FOWTUZBSSA-N	1	0	362.520	2.837	50	10		FFCARO
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCN1CCOCC1	ZINC000096930782	222142748	/nfs/dbraw/zinc/14/27/48/222142748.db2.gz	FGHFSIFSZKJBAV-SDNWHVSQSA-N	1	0	368.911	2.873	50	10		FFCARO
C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000072139246	507756600	/nfs/dbraw/zinc/75/66/00/507756600.db2.gz	JCIIOILJIQAKSU-INIZCTEOSA-N	1	0	371.456	2.661	50	10		FFCARO
Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1	ZINC000237669014	132248384	/nfs/dbraw/zinc/24/83/84/132248384.db2.gz	AAASMAMDPMUTRQ-UHFFFAOYSA-N	1	0	354.376	2.565	50	10		FFCARO
Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c(C)c1	ZINC000096930764	222142887	/nfs/dbraw/zinc/14/28/87/222142887.db2.gz	JPTAQJFRQVHPAO-FOWTUZBSSA-N	1	0	362.520	2.837	50	10		FFCARO
Cc1ccccc1[N+]1=C2SCCN2[C@](O)(c2cccc([N+](=O)[O-])c2)C1	ZINC000002966051	506303606	/nfs/dbraw/zinc/30/36/06/506303606.db2.gz	CULNJGCBQBBKBF-GOSISDBHSA-N	1	0	356.427	2.684	50	10		FFCARO
COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1OC	ZINC000005097681	506420934	/nfs/dbraw/zinc/42/09/34/506420934.db2.gz	CADLBJCRDKKMIM-GOSISDBHSA-N	1	0	371.481	2.803	50	10		FFCARO
COc1ccc(O)c(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1	ZINC000077252005	1020657218	/nfs/dbraw/zinc/65/72/18/1020657218.db2.gz	SAXXKEWBDYUOQG-GOSISDBHSA-N	1	0	374.456	2.609	50	10		FFCARO
OCCN1CC[NH+]([C@H](c2ccccc2)c2ccc3cccnc3c2O)CC1	ZINC000019370759	220252220	/nfs/dbraw/zinc/25/22/20/220252220.db2.gz	PZPDIHSNPVGTMR-OAQYLSRUSA-N	1	0	363.461	2.640	50	10		FFCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1cccs1)C1CC1)cc2=O	ZINC000103261383	222328802	/nfs/dbraw/zinc/32/88/02/222328802.db2.gz	ZCRJORDXJDLBQT-UHFFFAOYSA-N	1	0	372.450	2.838	50	10		FFCARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)[NH+](C)C)cc1	ZINC000005097851	506420241	/nfs/dbraw/zinc/42/02/41/506420241.db2.gz	SQDQFUQQTILXPX-SFHVURJKSA-N	1	0	359.445	2.690	50	10		FFCARO
COc1cccc(O)c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1	ZINC000039406589	506450125	/nfs/dbraw/zinc/45/01/25/506450125.db2.gz	LEAYDETUDSDRSM-GOSISDBHSA-N	1	0	374.456	2.609	50	10		FFCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccs3)CC2)cc1	ZINC000012557981	506877956	/nfs/dbraw/zinc/87/79/56/506877956.db2.gz	HMWUMKUHRDVNOI-HNNXBMFYSA-N	1	0	359.495	2.756	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)cc1	ZINC000022608940	507300619	/nfs/dbraw/zinc/30/06/19/507300619.db2.gz	INAITHUERKFASL-IBGZPJMESA-N	1	0	356.466	2.566	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1	ZINC000085842849	524426162	/nfs/dbraw/zinc/42/61/62/524426162.db2.gz	LDIAPJSWBBATLC-FQEVSTJZSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1cccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1O	ZINC000020668536	1022595016	/nfs/dbraw/zinc/59/50/16/1022595016.db2.gz	ADIFCHVAJVJZMO-UHFFFAOYSA-N	1	0	350.422	2.718	50	10		FFCARO
Cc1cc(C)n(C2C[NH+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)n1	ZINC001506420337	1059508676	/nfs/dbraw/zinc/50/86/76/1059508676.db2.gz	CWQFDLZNXGKCTM-UHFFFAOYSA-N	1	0	354.454	2.754	50	10		FFCARO
C[NH+]1CCN(c2ccc(-c3nccn3-c3ccc4[nH]nnc4c3)cc2)CC1	ZINC000067675200	136137405	/nfs/dbraw/zinc/13/74/05/136137405.db2.gz	VOBHLUXKICDEBP-UHFFFAOYSA-N	1	0	359.437	2.562	50	10		FFCARO
COc1cc2c(cc1OC)[C@]13CC[N@@H+]4CC5=CO[C@@H]6CCN2[C@@H]1[C@H]6[C@H]5C[C@H]43	ZINC000025668368	507520154	/nfs/dbraw/zinc/52/01/54/507520154.db2.gz	ODSKQEUFTBWNLH-VNPVVWLASA-N	1	0	366.461	2.541	50	10		FFCARO
COc1cccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+]2CCCC2)c1	ZINC000225614959	509379739	/nfs/dbraw/zinc/37/97/39/509379739.db2.gz	WMDGOQSWPVUIRV-INIZCTEOSA-N	1	0	374.412	2.812	50	10		FFCARO
OCC[N@H+](Cc1cccs1)C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC001506422382	1059512209	/nfs/dbraw/zinc/51/22/09/1059512209.db2.gz	QUVWEBWJDIRLST-UHFFFAOYSA-N	1	0	360.479	2.940	50	10		FFCARO
CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1	ZINC000022665373	507303880	/nfs/dbraw/zinc/30/38/80/507303880.db2.gz	HCPOFPXKTIDAMX-JOCHJYFZSA-N	1	0	366.509	2.752	50	10		FFCARO
COc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1O	ZINC000022926237	507320429	/nfs/dbraw/zinc/32/04/29/507320429.db2.gz	RQJAYPXPAHPQFN-IBGZPJMESA-N	1	0	362.514	2.850	50	10		FFCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)cc3C)CC2)cc1	ZINC000084460001	524426335	/nfs/dbraw/zinc/42/63/35/524426335.db2.gz	TYLZLAMUMVIJRZ-FQEVSTJZSA-N	1	0	370.493	2.874	50	10		FFCARO
COc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c(O)c1	ZINC000020202364	1022560703	/nfs/dbraw/zinc/56/07/03/1022560703.db2.gz	PORKCVOMDYXCKY-UHFFFAOYSA-N	1	0	350.422	2.718	50	10		FFCARO
COC[C@]1(O)CC[N@@H+](C2CCN(c3ccc(OC)cc3)CC2)CC1(C)C	ZINC000091547437	132202087	/nfs/dbraw/zinc/20/20/87/132202087.db2.gz	OELCPTHXPFCGOX-OAQYLSRUSA-N	1	0	362.514	2.773	50	10		FFCARO
Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1	ZINC000023191791	132267406	/nfs/dbraw/zinc/26/74/06/132267406.db2.gz	RGMQQGSKRDGGMR-GOSISDBHSA-N	1	0	352.482	2.840	50	10		FFCARO
COc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	ZINC000054178923	136125125	/nfs/dbraw/zinc/12/51/25/136125125.db2.gz	BHJZWRUJPMCPCR-GOSISDBHSA-N	1	0	353.466	2.687	50	10		FFCARO
COc1ccc(O)c(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c1	ZINC000039518590	506450573	/nfs/dbraw/zinc/45/05/73/506450573.db2.gz	PXWASZWSHUHEKN-LJQANCHMSA-N	1	0	362.514	2.850	50	10		FFCARO
COc1ccc(O)c(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1	ZINC000022853002	965980159	/nfs/dbraw/zinc/98/01/59/965980159.db2.gz	HOYAEFISFNIJMQ-HXUWFJFHSA-N	1	0	370.493	2.512	50	10		FFCARO
COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000004323016	219565529	/nfs/dbraw/zinc/56/55/29/219565529.db2.gz	IRUJRMMSBIMLOS-FQEVSTJZSA-N	1	0	371.481	2.803	50	10		FFCARO
C[NH+]1CCN(c2ccc(CNC(=O)CSCc3ccccc3)cc2)CC1	ZINC000065365550	221203714	/nfs/dbraw/zinc/20/37/14/221203714.db2.gz	SOKNVBOPRHESHC-UHFFFAOYSA-N	1	0	369.534	2.988	50	10		FFCARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)[NH+](C)C)cc1	ZINC000005097850	506421374	/nfs/dbraw/zinc/42/13/74/506421374.db2.gz	SQDQFUQQTILXPX-GOSISDBHSA-N	1	0	359.445	2.690	50	10		FFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3ccco3)CC2)cc1	ZINC000032765965	536696674	/nfs/dbraw/zinc/69/66/74/536696674.db2.gz	VJDXDOMMTKIYPG-MDZDMXLPSA-N	1	0	369.465	2.630	50	10		FFCARO