smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@](C#CC[N@@H+]1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1	ZINC000002280894	210151184	/nfs/dbraw/zinc/15/11/84/210151184.db2.gz	ZKEKBMWWMAZJKJ-JYFHCDHNSA-N	1	0	373.540	4.947	50	30		FJEARO
C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	ZINC000170591663	203878524	/nfs/dbraw/zinc/87/85/24/203878524.db2.gz	YMCGGMODIJYJIC-SFHVURJKSA-N	1	0	360.432	4.502	50	30		FJEARO
O=C(C[n+]1ccc(-c2cccc3ccccc32)nc1)c1ccc(Cl)cc1	ZINC000006342585	204246007	/nfs/dbraw/zinc/24/60/07/204246007.db2.gz	AZEOXCJPHMKBCJ-UHFFFAOYSA-N	1	0	359.836	4.726	50	30		FJEARO
CCCCCCCCCCCC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O	ZINC000008431884	204330883	/nfs/dbraw/zinc/33/08/83/204330883.db2.gz	APHXWUGISRXJSA-FQEVSTJZSA-N	1	0	358.526	4.829	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@@H]12	ZINC000012659728	220016537	/nfs/dbraw/zinc/01/65/37/220016537.db2.gz	VPTHFEXYJFCRLI-DLBZZEGUSA-N	1	0	357.538	4.781	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H](C)CCc4ccco4)[C@H]3C[C@@H]12	ZINC000012864516	206297448	/nfs/dbraw/zinc/29/74/48/206297448.db2.gz	YKAOGMQSLHIEKX-DKNDHMCESA-N	1	0	371.521	4.505	50	30		FJEARO
C=CC[C@H]1Cc2c(Br)ccc(Br)c2[C@H](CC=C)[NH2+]1	ZINC000022418754	220385341	/nfs/dbraw/zinc/38/53/41/220385341.db2.gz	PWYXIEYQBHGUIV-HZMBPMFUSA-N	1	0	371.116	4.919	50	30		FJEARO
Cc1ccccc1-c1cccc(N2CCC([NH+]3CCC(C#N)CC3)CC2)c1	ZINC000063855271	136133109	/nfs/dbraw/zinc/13/31/09/136133109.db2.gz	MTLBONKFCDQPHW-UHFFFAOYSA-N	1	0	359.517	4.866	50	30		FJEARO
C=CC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	ZINC000247997602	518955901	/nfs/dbraw/zinc/95/59/01/518955901.db2.gz	MYYAZGDTCZTTCB-UHFFFAOYSA-N	1	0	373.287	4.576	50	30		FJEARO
C=CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	ZINC000040722514	518956303	/nfs/dbraw/zinc/95/63/03/518956303.db2.gz	HXVDLFCHJZGGBU-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
CC(C)[N@H+](CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1	ZINC000061864789	519635211	/nfs/dbraw/zinc/63/52/11/519635211.db2.gz	NOBBVCNKCWXRGA-UHFFFAOYSA-N	1	0	369.508	4.837	50	30		FJEARO
CCCCCCCOc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1	ZINC000101011847	520064148	/nfs/dbraw/zinc/06/41/48/520064148.db2.gz	ILWDVAJJVUHWJP-HXUWFJFHSA-N	1	0	360.498	4.679	50	30		FJEARO
CN1CCc2c1nc1ccccc1c2[NH+]=C1CCCN1Cc1ccccc1	ZINC000252613967	523997437	/nfs/dbraw/zinc/99/74/37/523997437.db2.gz	JFUFOHQSLUKCSH-UHFFFAOYSA-N	1	0	356.473	4.553	50	30		FJEARO
O=C(Nc1ccccc1)ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1	ZINC000059602180	527395347	/nfs/dbraw/zinc/39/53/47/527395347.db2.gz	XCBKJYDFFMIZCC-HDICACEKSA-N	1	0	369.490	4.870	50	30		FJEARO
N#CC1(c2ccccc2)CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1	ZINC000215175295	568055910	/nfs/dbraw/zinc/05/59/10/568055910.db2.gz	VKCHPCYPPLRVSG-LJQANCHMSA-N	1	0	352.503	4.657	50	30		FJEARO
O=C(c1ccccc1)C(C(=O)c1ccccc1)[n+]1ccc2ccccc2c1	ZINC000100461624	570504293	/nfs/dbraw/zinc/50/42/93/570504293.db2.gz	QXQFLINFPGWSIH-UHFFFAOYSA-O	1	0	352.413	4.894	50	30	aggregator	FJEARO
O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccccc1	ZINC000013778850	570790977	/nfs/dbraw/zinc/79/09/77/570790977.db2.gz	PUUAGIXUDLEEAM-UHFFFAOYSA-N	1	0	372.275	4.579	50	30		FJEARO
Clc1cccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)c1	ZINC000019773309	570902714	/nfs/dbraw/zinc/90/27/14/570902714.db2.gz	NDBICGWYYNCCHZ-LFVJCYFKSA-N	1	0	363.892	4.645	50	30		FJEARO
Fc1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019825855	570903802	/nfs/dbraw/zinc/90/38/02/570903802.db2.gz	PHGXAPZNARQDQD-LGUFXXKBSA-N	1	0	373.475	4.567	50	30		FJEARO
O[C@@](C#CC[N@@H+]1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1	ZINC000013427205	571083378	/nfs/dbraw/zinc/08/33/78/571083378.db2.gz	ZKEKBMWWMAZJKJ-BVAGGSTKSA-N	1	0	373.540	4.947	50	30		FJEARO
CCCCCCCCCCCCCCCn1cc[n+](CC(=N)NO)c1	ZINC000409415880	571150445	/nfs/dbraw/zinc/15/04/45/571150445.db2.gz	BLRSXFDYHBKILI-UHFFFAOYSA-N	1	0	351.559	4.823	50	30		FJEARO
COc1ccc(CC/[NH+]=C2/CCCc3c4cc(C)ccc4[nH]c32)cc1OC	ZINC000075253071	571158256	/nfs/dbraw/zinc/15/82/56/571158256.db2.gz	QFTIFNSXOHORBA-GFMRDNFCSA-N	1	0	362.473	4.862	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+]3CCCCC3)CC[C@@H]21	ZINC000004027268	571205943	/nfs/dbraw/zinc/20/59/43/571205943.db2.gz	XPMGQNDZUDZVOU-IEIRFRATSA-N	1	0	353.506	4.573	50	30		FJEARO
CC(C)[C@@](O)(CC#CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1	ZINC000002101267	571276957	/nfs/dbraw/zinc/27/69/57/571276957.db2.gz	MNBYKMIRWHPDPD-JRFVFWCSSA-N	1	0	353.550	4.824	50	30		FJEARO
C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000096003600	571333816	/nfs/dbraw/zinc/33/38/16/571333816.db2.gz	YJGBRPGAQBAIFW-SFHVURJKSA-N	1	0	357.457	4.725	50	30		FJEARO
CC(C)c1nc(C#N)c(NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)o1	ZINC000096346622	571335453	/nfs/dbraw/zinc/33/54/53/571335453.db2.gz	AIVOGKQMUKRFFC-SFHVURJKSA-N	1	0	354.498	4.682	50	30		FJEARO
CN(C)[C@@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl	ZINC000027990995	571337411	/nfs/dbraw/zinc/33/74/11/571337411.db2.gz	HXIDNMWZSZGQRP-HNNXBMFYSA-N	1	0	372.881	4.643	50	30		FJEARO
C=C1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000001250165	210148804	/nfs/dbraw/zinc/14/88/04/210148804.db2.gz	HAXTUDYYZJROKR-ZEQRLZLVSA-N	1	0	366.484	4.971	50	30		FJEARO
C=CCc1cc(C[NH2+]Cc2cc(-c3cccnc3)no2)ccc1OC(C)C	ZINC000055211631	210069321	/nfs/dbraw/zinc/06/93/21/210069321.db2.gz	XHHXAQXJTXIKQC-UHFFFAOYSA-N	1	0	363.461	4.542	50	30		FJEARO
CC(C[C@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1)[N+](C)=O	ZINC000001398684	204004711	/nfs/dbraw/zinc/00/47/11/204004711.db2.gz	JIWHNIHEQWMNSP-RHLNUJDMSA-N	1	0	368.260	4.597	50	30		FJEARO
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(OCC[NH+]3CCCC3)n2)cc1	ZINC000036646309	205019459	/nfs/dbraw/zinc/01/94/59/205019459.db2.gz	WAXZPKLPVJCLSC-UHFFFAOYSA-N	1	0	373.456	4.663	50	30		FJEARO
CCCCCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1	ZINC000102566592	205975450	/nfs/dbraw/zinc/97/54/50/205975450.db2.gz	FYLINZBEGVOUDH-UHFFFAOYSA-N	1	0	358.320	4.916	50	30		FJEARO
C=CCN1c2cc(OC)ccc2S/C1=C/c1sc2ccccc2[n+]1C	ZINC000003656631	211311092	/nfs/dbraw/zinc/31/10/92/211311092.db2.gz	JIIDNQMQMUMMHC-UHFFFAOYSA-N	1	0	367.519	4.831	50	30		FJEARO
Cc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1	ZINC000019826411	211256410	/nfs/dbraw/zinc/25/64/10/211256410.db2.gz	UZAROBWQIHIHEK-LFVJCYFKSA-N	1	0	373.525	4.778	50	30		FJEARO
Cc1ccccc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682511	211245440	/nfs/dbraw/zinc/24/54/40/211245440.db2.gz	ODVWGMMOKQFGKL-NLRVBDNBSA-N	1	0	367.496	4.717	50	30		FJEARO
C=CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1	ZINC000013730699	211054755	/nfs/dbraw/zinc/05/47/55/211054755.db2.gz	JAPGJDYZINFLGM-UHFFFAOYSA-N	1	0	371.072	4.747	50	30		FJEARO
C(=N/c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)\c1cccs1	ZINC000057227615	136128305	/nfs/dbraw/zinc/12/83/05/136128305.db2.gz	OZQNVGGUGNGNJE-HAVVHWLPSA-N	1	0	361.514	4.821	50	30		FJEARO
C#CC[N@@H+](Cc1nc(-c2ccccc2OCC)oc1C)C1CCCCC1	ZINC000020202267	518261930	/nfs/dbraw/zinc/26/19/30/518261930.db2.gz	BZBGYPRQLVLNLL-UHFFFAOYSA-N	1	0	352.478	4.817	50	30		FJEARO
C(/C=C/c1ccco1)=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000252394407	518368741	/nfs/dbraw/zinc/36/87/41/518368741.db2.gz	JAZXDODTSZKGSQ-YABWMESVSA-N	1	0	369.468	4.666	50	30		FJEARO
CCCCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OC	ZINC000104468828	520035283	/nfs/dbraw/zinc/03/52/83/520035283.db2.gz	IJXQYVMOKZPGII-UHFFFAOYSA-N	1	0	358.320	4.916	50	30		FJEARO
Cc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1	ZINC000245253955	524243892	/nfs/dbraw/zinc/24/38/92/524243892.db2.gz	UZAROBWQIHIHEK-UHFFFAOYSA-N	1	0	373.525	4.778	50	30	aggregator	FJEARO
COc1ccccc1C[N+](=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1	ZINC000080343835	524327297	/nfs/dbraw/zinc/32/72/97/524327297.db2.gz	WKLCGOFABVIOBU-MYYYXRDXSA-N	1	0	371.396	4.673	50	30		FJEARO
Cc1ccsc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000239248151	525830580	/nfs/dbraw/zinc/83/05/80/525830580.db2.gz	YEMTVMBSMHAQPT-UHFFFAOYSA-N	1	0	373.525	4.778	50	30	aggregator	FJEARO
Cc1ccc(C(=O)C[n+]2cn(Cc3ccccc3)c3cc(C)c(C)cc32)cc1	ZINC000004542279	526051993	/nfs/dbraw/zinc/05/19/93/526051993.db2.gz	OLHKIKLAUZYLOU-UHFFFAOYSA-N	1	0	369.488	4.785	50	30		FJEARO
Cc1ccc(NC(=S)C(C(=O)c2cccs2)[n+]2ccccc2)cc1C	ZINC000003379287	570662140	/nfs/dbraw/zinc/66/21/40/570662140.db2.gz	KXGREBHXLZLNTB-UHFFFAOYSA-O	1	0	367.519	4.703	50	30		FJEARO
O=C(C[N+]1(CC#Cc2ccccc2)CCCCC1)c1ccc(Cl)cc1	ZINC000004349186	570750930	/nfs/dbraw/zinc/75/09/30/570750930.db2.gz	HPCMONIPUVBCCY-UHFFFAOYSA-N	1	0	352.885	4.575	50	30		FJEARO
C=C1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000001250166	571044778	/nfs/dbraw/zinc/04/47/78/571044778.db2.gz	HAXTUDYYZJROKR-RPWUZVMVSA-N	1	0	366.484	4.971	50	30		FJEARO
CN(C)c1cc(/[NH+]=C(/c2ccccc2)N2CCCCC2)c2ccccc2n1	ZINC000055466532	571121023	/nfs/dbraw/zinc/12/10/23/571121023.db2.gz	XEBZYEZKSJVUHJ-BZZOAKBMSA-N	1	0	358.489	4.865	50	30		FJEARO
C#CC[N@@H+](Cc1nc(-c2cc(OC)ccc2F)oc1C)C1CCCCC1	ZINC000020907610	571141639	/nfs/dbraw/zinc/14/16/39/571141639.db2.gz	RDBIQBOIEPSTCA-UHFFFAOYSA-N	1	0	356.441	4.566	50	30		FJEARO
C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1	ZINC000021170853	571141870	/nfs/dbraw/zinc/14/18/70/571141870.db2.gz	DWKZKIAIASXKCF-OAQYLSRUSA-N	1	0	370.537	4.512	50	30		FJEARO
COc1ccc(CCNC(=[NH2+])[C@H](C)c2ccc(C(C)C)cc2)cc1OC	ZINC000002144964	571175792	/nfs/dbraw/zinc/17/57/92/571175792.db2.gz	UFRHOSKAFOVMIR-MRXNPFEDSA-N	1	0	354.494	4.531	50	30		FJEARO
CCC[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CCCCC1	ZINC000001805909	571194225	/nfs/dbraw/zinc/19/42/25/571194225.db2.gz	BXQAHWHZYJCTEM-UHFFFAOYSA-N	1	0	360.521	4.707	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[NH+]3CCCCC3)CC[C@H]21	ZINC000004027267	571205970	/nfs/dbraw/zinc/20/59/70/571205970.db2.gz	XPMGQNDZUDZVOU-UNWVZKJWSA-N	1	0	353.506	4.573	50	30		FJEARO
O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1CC[C@H]([NH+]2CCCCC2)C1	ZINC000328589820	571323499	/nfs/dbraw/zinc/32/34/99/571323499.db2.gz	IMVBGJCHHDABAT-CVEARBPZSA-N	1	0	371.308	4.736	50	30		FJEARO
C[NH+](C)[C@H](CNc1oc(C(C)(C)C)nc1C#N)c1ccc(C(C)(C)C)cc1	ZINC000096346221	571335474	/nfs/dbraw/zinc/33/54/74/571335474.db2.gz	ALPUMYWLMZRDPA-GOSISDBHSA-N	1	0	368.525	4.856	50	30		FJEARO
N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1cccs1)[NH+]1CCCCC1	ZINC000028251148	571338837	/nfs/dbraw/zinc/33/88/37/571338837.db2.gz	WYVXHZHRGBKJNI-HNNXBMFYSA-N	1	0	368.462	4.507	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[NH+]3CCCCCC3)CC[C@H]21	ZINC000001321248	210223930	/nfs/dbraw/zinc/22/39/30/210223930.db2.gz	UWQHCHABBAIPPF-BKULYWANSA-N	1	0	367.533	4.963	50	30		FJEARO
Cc1ccccc1N(C)C1=N/C(=[N+](/C)c2ccccc2C)c2ccccc21	ZINC000003186870	219491444	/nfs/dbraw/zinc/49/14/44/219491444.db2.gz	HRDRJISPOQSIMZ-UHFFFAOYSA-N	1	0	354.477	4.921	50	30		FJEARO
C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(Br)c1	ZINC000002471258	204040769	/nfs/dbraw/zinc/04/07/69/204040769.db2.gz	NPZZXTUKCRVPHW-HNNXBMFYSA-N	1	0	367.266	4.848	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccc(Cl)cc1	ZINC000004785615	204162379	/nfs/dbraw/zinc/16/23/79/204162379.db2.gz	PDXUOEFQCPXMIV-KVMVOAJRSA-N	1	0	356.944	4.508	50	30		FJEARO
O=C(Nc1ccccc1)ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000004363432	204135478	/nfs/dbraw/zinc/13/54/78/204135478.db2.gz	ADSVGKGPAPLVBG-OYRHEFFESA-N	1	0	363.461	4.808	50	30		FJEARO
O=C(c1ccc(Cl)s1)C(C(=S)Nc1ccccc1)[n+]1ccccc1	ZINC000015352990	204609442	/nfs/dbraw/zinc/60/94/42/204609442.db2.gz	KRRFSZKSOQHNCJ-UHFFFAOYSA-O	1	0	373.910	4.740	50	30		FJEARO
C[N@@H+]1CCc2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)cc2C1	ZINC000019816225	204708856	/nfs/dbraw/zinc/70/88/56/204708856.db2.gz	QUSBGZALSYYJMB-UHFFFAOYSA-N	1	0	351.519	4.531	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[NH+]3CCCCC3)CC[C@H]21	ZINC000004027269	206163431	/nfs/dbraw/zinc/16/34/31/206163431.db2.gz	XPMGQNDZUDZVOU-NWSQWKLXSA-N	1	0	353.506	4.573	50	30		FJEARO
CCCCCCCOc1cccc(NC(=O)O[C@H]2C[NH+]3CCC2CC3)c1	ZINC000101011852	222259418	/nfs/dbraw/zinc/25/94/18/222259418.db2.gz	ILWDVAJJVUHWJP-FQEVSTJZSA-N	1	0	360.498	4.679	50	30		FJEARO
Clc1ccccc1/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000019772998	263376694	/nfs/dbraw/zinc/37/66/94/263376694.db2.gz	TWQVZDVHNYVVPY-LFVJCYFKSA-N	1	0	363.892	4.645	50	30		FJEARO
C=C(C)COc1c(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cccc1OC	ZINC000055414850	518609727	/nfs/dbraw/zinc/60/97/27/518609727.db2.gz	IEVIZZYTYOFACD-SFHVURJKSA-N	1	0	356.466	4.592	50	30		FJEARO
C=CC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl	ZINC000008495429	518954843	/nfs/dbraw/zinc/95/48/43/518954843.db2.gz	MINJUYBTFFTWOV-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CC[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl	ZINC000040722382	518954936	/nfs/dbraw/zinc/95/49/36/518954936.db2.gz	FIMXUVGVRDQMDY-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+][C@H](CC)c2ccnn2C)cc1Cl	ZINC000055307609	519006318	/nfs/dbraw/zinc/00/63/18/519006318.db2.gz	OSOSPPIHZCWHPX-OAHLLOKOSA-N	1	0	354.281	4.533	50	30		FJEARO
C=CCc1cc(OC)ccc1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000008744519	519132046	/nfs/dbraw/zinc/13/20/46/519132046.db2.gz	KBPNRRMEVUKGDM-QFIPXVFZSA-N	1	0	366.505	4.815	50	30		FJEARO
C=CCc1cc(OC)ccc1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000008744518	519133129	/nfs/dbraw/zinc/13/31/29/519133129.db2.gz	KBPNRRMEVUKGDM-JOCHJYFZSA-N	1	0	366.505	4.815	50	30		FJEARO
Cc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000252429464	524244204	/nfs/dbraw/zinc/24/42/04/524244204.db2.gz	RFYNERGQWHJBKU-UHFFFAOYSA-N	1	0	367.496	4.717	50	30		FJEARO
Cc1ccc(-c2cc[n+](CC(=O)c3cccc4ccccc43)cn2)c(C)c1	ZINC000002529457	525739949	/nfs/dbraw/zinc/73/99/49/525739949.db2.gz	PKXXYBQHVKIUOE-UHFFFAOYSA-N	1	0	353.445	4.689	50	30		FJEARO
C=CCOc1ccc(C[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1	ZINC000058157803	571062817	/nfs/dbraw/zinc/06/28/17/571062817.db2.gz	KHHQMEORAWVOJD-UHFFFAOYSA-N	1	0	363.457	4.607	50	30		FJEARO
O=C(C[n+]1ccccc1-c1nc(-c2ccccc2)cs1)c1ccccc1	ZINC000008844860	571063007	/nfs/dbraw/zinc/06/30/07/571063007.db2.gz	BGGYECQBZCUZEB-UHFFFAOYSA-N	1	0	357.458	4.648	50	30		FJEARO
C[NH+]1[C@@H](c2ccccc2)CC(O)(C#Cc2ccccc2)C[C@@H]1c1ccccc1	ZINC000055459290	571073295	/nfs/dbraw/zinc/07/32/95/571073295.db2.gz	NASUIEJNHAJFHJ-JWQCQUIFSA-N	1	0	367.492	4.977	50	30		FJEARO
C=CCc1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)ccc1O	ZINC000065453794	571074198	/nfs/dbraw/zinc/07/41/98/571074198.db2.gz	MHVRPFUBGUWRAA-JOCHJYFZSA-N	1	0	371.484	4.567	50	30		FJEARO
CC1(C)Cc2c(C#N)c(NC(=O)c3ccccc3Cl)sc2C(C)(C)[NH2+]1	ZINC000004275312	571101651	/nfs/dbraw/zinc/10/16/51/571101651.db2.gz	GPKNPGKWPHXZCQ-UHFFFAOYSA-N	1	0	373.909	4.685	50	30		FJEARO
C#CC[N@@H+](Cc1nc(-c2ccc(OC)cc2F)oc1C)C1CCCCC1	ZINC000019789777	571140967	/nfs/dbraw/zinc/14/09/67/571140967.db2.gz	IXGHRIYMZNJPFO-UHFFFAOYSA-N	1	0	356.441	4.566	50	30		FJEARO
Cc1cc[n+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1	ZINC000007712730	571286268	/nfs/dbraw/zinc/28/62/68/571286268.db2.gz	HHVZYCAGIUWZNG-UHFFFAOYSA-O	1	0	369.897	4.726	50	30		FJEARO
CC[NH+](CC)CCC[C@H](C)Nc1c(C#N)c(SC)nc2ccc(F)cc21	ZINC000214081006	571292508	/nfs/dbraw/zinc/29/25/08/571292508.db2.gz	VOTLIMSLANOCKM-AWEZNQCLSA-N	1	0	374.529	4.890	50	30		FJEARO
C=CCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1	ZINC000021170858	210155699	/nfs/dbraw/zinc/15/56/99/210155699.db2.gz	DWKZKIAIASXKCF-NRFANRHFSA-N	1	0	370.537	4.512	50	30		FJEARO
CCC[N+]1(CC#C[C@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1	ZINC000001754792	210148813	/nfs/dbraw/zinc/14/88/13/210148813.db2.gz	BNSUHDHRIHCYNP-DEOSSOPVSA-N	1	0	354.558	4.869	50	30		FJEARO
Brc1ccc(N/C=[NH+]/c2ccc(Br)cc2)cc1	ZINC000003086206	210078905	/nfs/dbraw/zinc/07/89/05/210078905.db2.gz	FGWNTBFNMMUVPO-UHFFFAOYSA-N	1	0	354.045	4.984	50	30		FJEARO
C=CCOc1c(Br)cc(C[NH2+]CCCCCC)cc1OC	ZINC000007260960	204292477	/nfs/dbraw/zinc/29/24/77/204292477.db2.gz	MENFVACWHRLNNY-UHFFFAOYSA-N	1	0	356.304	4.692	50	30		FJEARO
CC(C)(C)CC(C)(C)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000008693805	204338838	/nfs/dbraw/zinc/33/88/38/204338838.db2.gz	HNUKTONMTDKSNL-UHFFFAOYSA-N	1	0	361.599	4.741	50	30		FJEARO
Cc1cccc(C)c1NC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1	ZINC000013081310	211022924	/nfs/dbraw/zinc/02/29/24/211022924.db2.gz	YTWAHDUXQJDCJM-UHFFFAOYSA-O	1	0	361.490	4.642	50	30		FJEARO
C[NH+]=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C1	ZINC000004521520	210538355	/nfs/dbraw/zinc/53/83/55/210538355.db2.gz	AMPCGOAFZFKBGH-UHFFFAOYSA-N	1	0	357.501	4.817	50	30		FJEARO
CCCCCCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccccc2)c(OC)c1	ZINC000097966059	222217534	/nfs/dbraw/zinc/21/75/34/222217534.db2.gz	FUWKRRZAEFGFAU-OAQYLSRUSA-N	1	0	371.521	4.868	50	30		FJEARO
N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccc2ccccc21	ZINC000005013887	263337987	/nfs/dbraw/zinc/33/79/87/263337987.db2.gz	IVKMXZMFDPLZRJ-UHFFFAOYSA-N	1	0	373.239	4.818	50	30		FJEARO
C=CCOc1ccc(C[N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1	ZINC000007100270	263349317	/nfs/dbraw/zinc/34/93/17/263349317.db2.gz	BWKRNJKPNILHLH-UHFFFAOYSA-N	1	0	363.457	4.751	50	30		FJEARO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1	ZINC000025949263	518196785	/nfs/dbraw/zinc/19/67/85/518196785.db2.gz	ORZNDDKGJNLALY-DEOSSOPVSA-N	1	0	354.453	4.799	50	30		FJEARO
C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	ZINC000008471658	518951862	/nfs/dbraw/zinc/95/18/62/518951862.db2.gz	JGSBKJUVJQNAIS-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1OC	ZINC000008470160	519002889	/nfs/dbraw/zinc/00/28/89/519002889.db2.gz	PZMHMFMNPNNVAB-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
CCCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCC	ZINC000102554252	520055014	/nfs/dbraw/zinc/05/50/14/520055014.db2.gz	HYERXFKCAPABOP-UHFFFAOYSA-N	1	0	358.320	4.916	50	30		FJEARO
CCCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1	ZINC000106964035	520056966	/nfs/dbraw/zinc/05/69/66/520056966.db2.gz	GIYALCGSZVWRPP-UHFFFAOYSA-N	1	0	365.481	4.515	50	30		FJEARO
CCCCCSc1nc2c(c(-c3cccs3)c1C#N)C[N@H+](C)CC2	ZINC000019852794	520272030	/nfs/dbraw/zinc/27/20/30/520272030.db2.gz	AVKWFSZSFQDFAA-UHFFFAOYSA-N	1	0	357.548	4.952	50	30		FJEARO
Cc1ccc(-c2cc[n+](CC(=O)c3ccc4ccccc4c3)cn2)c(C)c1	ZINC000002529456	525740176	/nfs/dbraw/zinc/74/01/76/525740176.db2.gz	ZPJDIQLXTOZRCX-UHFFFAOYSA-N	1	0	353.445	4.689	50	30		FJEARO
COc1cc2c(CC/[NH+]=C\c3ccc(N(C)C)cc3)c[nH]c2c(Cl)c1	ZINC000100329990	570554030	/nfs/dbraw/zinc/55/40/30/570554030.db2.gz	POYNTOYIAULXIB-UUYOSTAYSA-N	1	0	355.869	4.558	50	30		FJEARO
O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccc(F)cc1	ZINC000006252563	570644328	/nfs/dbraw/zinc/64/43/28/570644328.db2.gz	MBCXQKKFNWMAQL-UHFFFAOYSA-N	1	0	369.419	4.725	50	30		FJEARO
Fc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682316	570898563	/nfs/dbraw/zinc/89/85/63/570898563.db2.gz	XNQSWLMNTBLBQH-YZSQISJMSA-N	1	0	371.459	4.547	50	30		FJEARO
Cc1ccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C(C)C)CC2)cc1	ZINC000008683041	571055138	/nfs/dbraw/zinc/05/51/38/571055138.db2.gz	MZCVIBOVOAIIBI-UHFFFAOYSA-N	1	0	371.550	4.880	50	30		FJEARO
C=CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC	ZINC000013722994	571120282	/nfs/dbraw/zinc/12/02/82/571120282.db2.gz	WTOVYEZTQXDHCG-UHFFFAOYSA-N	1	0	366.288	4.899	50	30		FJEARO
COc1cc2c(CC/[NH+]=C/c3ccc(N(C)C)cc3)c[nH]c2c(Cl)c1	ZINC000003670018	571187240	/nfs/dbraw/zinc/18/72/40/571187240.db2.gz	POYNTOYIAULXIB-WSDLNYQXSA-N	1	0	355.869	4.558	50	30		FJEARO
C=CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(OC)cc1	ZINC000035841027	571206529	/nfs/dbraw/zinc/20/65/29/571206529.db2.gz	TUADPVCRSPRYJE-UHFFFAOYSA-N	1	0	364.464	4.872	50	30		FJEARO
C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000096003601	571333793	/nfs/dbraw/zinc/33/37/93/571333793.db2.gz	YJGBRPGAQBAIFW-GOSISDBHSA-N	1	0	357.457	4.725	50	30		FJEARO
CN(C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl	ZINC000027990979	571337390	/nfs/dbraw/zinc/33/73/90/571337390.db2.gz	IVEYBMMAJWQXGM-GOSISDBHSA-N	1	0	366.852	4.581	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC	ZINC000008470116	210135317	/nfs/dbraw/zinc/13/53/17/210135317.db2.gz	PKFZQQPMWIBVDA-UHFFFAOYSA-N	1	0	361.913	4.828	50	30		FJEARO
C=CCN1c2ccc(OC)cc2S/C1=C/c1sc2ccccc2[n+]1C	ZINC000003656627	210102109	/nfs/dbraw/zinc/10/21/09/210102109.db2.gz	OLIWHEDCBJMRIV-UHFFFAOYSA-N	1	0	367.519	4.831	50	30		FJEARO
C[NH+]1[C@H](c2ccccc2)CC(O)(C#Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000055459294	203801715	/nfs/dbraw/zinc/80/17/15/203801715.db2.gz	NASUIEJNHAJFHJ-DQEYMECFSA-N	1	0	367.492	4.977	50	30		FJEARO
Clc1ccc2c(N=NC3CC[NH+](Cc4ccccc4)CC3)ccnc2c1	ZINC000005572086	204215938	/nfs/dbraw/zinc/21/59/38/204215938.db2.gz	ZFYVIGFZDISAKN-UHFFFAOYSA-N	1	0	364.880	4.952	50	30		FJEARO
C[NH+](C)[C@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)c1ccco1	ZINC000027562237	204864218	/nfs/dbraw/zinc/86/42/18/204864218.db2.gz	OOCHZTUCMKWGRO-LJQANCHMSA-N	1	0	372.428	4.674	50	30		FJEARO
CCCCCCCCC[NH+](CCCCCCCCC)C(CO)(CO)CO	ZINC000097942927	205929604	/nfs/dbraw/zinc/92/96/04/205929604.db2.gz	YSDNYPIFRUEQLX-UHFFFAOYSA-N	1	0	373.622	4.505	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H](C)c4ccccc4)[C@H]3C[C@H]12	ZINC000012885789	206296767	/nfs/dbraw/zinc/29/67/67/206296767.db2.gz	YMDKUNNJPAGDDL-YHFZNZFXSA-N	1	0	353.506	4.651	50	30		FJEARO
Cc1ccc(C[N+](=O)[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000004785502	210564000	/nfs/dbraw/zinc/56/40/00/210564000.db2.gz	TZKQZCLJUWSIKL-QWQBBLJPSA-N	1	0	370.543	4.563	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@@H]3C[C@@H]12	ZINC000248203829	518661664	/nfs/dbraw/zinc/66/16/64/518661664.db2.gz	YKAOGMQSLHIEKX-LMJKLBRKSA-N	1	0	371.521	4.505	50	30		FJEARO
C=CC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	ZINC000008470202	518951955	/nfs/dbraw/zinc/95/19/55/518951955.db2.gz	LXIVLVWUUURRRF-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
COc1ccc(CC[N@H+](C)CCC[C@H](C#N)c2ccccc2C)cc1OC	ZINC000006208051	523939943	/nfs/dbraw/zinc/93/99/43/523939943.db2.gz	RUVKGJRDWNRUPP-HXUWFJFHSA-N	1	0	366.505	4.574	50	30		FJEARO
O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1cccc2ccccc21	ZINC000006342412	527193639	/nfs/dbraw/zinc/19/36/39/527193639.db2.gz	XDHIOFGQBRZJTF-UHFFFAOYSA-N	1	0	359.836	4.726	50	30		FJEARO
O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccccc1	ZINC000005738556	527194124	/nfs/dbraw/zinc/19/41/24/527194124.db2.gz	GDCLESOZDYPWAS-UHFFFAOYSA-N	1	0	351.429	4.586	50	30		FJEARO
O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(Cl)c(Cl)c1	ZINC000017248881	527194198	/nfs/dbraw/zinc/19/41/98/527194198.db2.gz	OLZXVRRPFPTWTD-UHFFFAOYSA-N	1	0	372.275	4.579	50	30		FJEARO
Cc1cc(C(=O)C[n+]2ccc3ccccc3c2)c(C)n1-c1ccccc1F	ZINC000007714660	568253715	/nfs/dbraw/zinc/25/37/15/568253715.db2.gz	HCPOYKZJDUWMHP-UHFFFAOYSA-N	1	0	359.424	4.557	50	30		FJEARO
N#Cc1cccnc1NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1	ZINC000024212447	570624585	/nfs/dbraw/zinc/62/45/85/570624585.db2.gz	ZFZLTYSGXPFWDT-UHFFFAOYSA-N	1	0	368.484	4.828	50	30		FJEARO
CCN(CC)c1ccc(/C=[NH+]/N(CC)c2cc(C)c(C#N)c(Cl)n2)cc1	ZINC000012411712	570743326	/nfs/dbraw/zinc/74/33/26/570743326.db2.gz	FQSTYMMIMMVOEX-OEAKJJBVSA-N	1	0	369.900	4.622	50	30		FJEARO
CCCCCCCOc1cccc(C[NH2+]CCc2nncn2C(C)C)c1	ZINC000101190035	570817590	/nfs/dbraw/zinc/81/75/90/570817590.db2.gz	YFMGIELYEGJDSM-UHFFFAOYSA-N	1	0	358.530	4.541	50	30		FJEARO
Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)c1	ZINC000014855885	570871910	/nfs/dbraw/zinc/87/19/10/570871910.db2.gz	GYIOXPQSODGKPN-UHFFFAOYSA-N	1	0	367.496	4.856	50	30		FJEARO
C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1	ZINC000033341238	571064029	/nfs/dbraw/zinc/06/40/29/571064029.db2.gz	DILBUHCKCAORLV-PXLXIMEGSA-N	1	0	362.304	4.535	50	30		FJEARO
C[NH+](C)C1(CNc2oc(-c3ccc(Cl)cc3)nc2C#N)CCCCC1	ZINC000035673305	571186826	/nfs/dbraw/zinc/18/68/26/571186826.db2.gz	MOHWJHQZQXMXNC-UHFFFAOYSA-N	1	0	358.873	4.543	50	30		FJEARO
C[NH+](C)[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1cccs1	ZINC000027793369	571321362	/nfs/dbraw/zinc/32/13/62/571321362.db2.gz	AKVGXCSOELJPMS-OAHLLOKOSA-N	1	0	372.881	4.643	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](C)c4ccccc4)[C@H]3C[C@@H]12	ZINC000004086890	571354988	/nfs/dbraw/zinc/35/49/88/571354988.db2.gz	YMDKUNNJPAGDDL-OEVWDPAPSA-N	1	0	353.506	4.651	50	30		FJEARO
O=C(C[n+]1ccccc1-c1ccccn1)c1ccc(-c2ccccc2)cc1	ZINC000001594063	210147526	/nfs/dbraw/zinc/14/75/26/210147526.db2.gz	AKCLEOIZQPJHMH-UHFFFAOYSA-N	1	0	351.429	4.586	50	30		FJEARO
C=CCC1(CC=C)CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)no1	ZINC000012073616	210139265	/nfs/dbraw/zinc/13/92/65/210139265.db2.gz	UNEFZVAVDTWVPE-UHFFFAOYSA-N	1	0	353.466	4.622	50	30		FJEARO
Cc1cc2c(cc1C)[n+](Cc1ccc(C#N)cc1)cn2Cc1ccccc1	ZINC000004542222	210104277	/nfs/dbraw/zinc/10/42/77/210104277.db2.gz	FXQUHWOKXUCBLC-UHFFFAOYSA-N	1	0	352.461	4.514	50	30		FJEARO
CC(C)(C)/N=C1\[C@H]([NH+]2CCCC2)C2(CCCCC2)C(=O)N1c1ccccc1	ZINC000033435805	203872742	/nfs/dbraw/zinc/87/27/42/203872742.db2.gz	JCPZINYTUYPURU-YVTHNELYSA-N	1	0	367.537	4.645	50	30		FJEARO
C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(Br)c1	ZINC000002471259	204041085	/nfs/dbraw/zinc/04/10/85/204041085.db2.gz	NPZZXTUKCRVPHW-OAHLLOKOSA-N	1	0	367.266	4.848	50	30		FJEARO
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)[NH+]=C3Nc4ccccc4N32)cc1	ZINC000009378964	204366269	/nfs/dbraw/zinc/36/62/69/204366269.db2.gz	RHBCPBREBOUHCY-OAQYLSRUSA-N	1	0	373.456	4.681	50	30		FJEARO
O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc(Cl)cc1	ZINC000017146139	204651065	/nfs/dbraw/zinc/65/10/65/204651065.db2.gz	FTLXTLDCQSEFAF-UHFFFAOYSA-N	1	0	365.884	4.705	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[NH+]3CCCCC3)CC[C@H]21	ZINC000004817640	206180777	/nfs/dbraw/zinc/18/07/77/206180777.db2.gz	XPMGQNDZUDZVOU-LSWJPFSZSA-N	1	0	353.506	4.573	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H](C)c4ccccc4)[C@H]3C[C@@H]12	ZINC000012885796	206296437	/nfs/dbraw/zinc/29/64/37/206296437.db2.gz	YMDKUNNJPAGDDL-DKNDHMCESA-N	1	0	353.506	4.651	50	30		FJEARO
O=C1CC(c2c(F)cccc2Cl)CC(=O)C1[C@H]1[NH2+]CCc2ccccc21	ZINC000020389301	211277487	/nfs/dbraw/zinc/27/74/87/211277487.db2.gz	IKUGWBZHIPHPDF-ASSNKEHSSA-N	1	0	371.839	4.625	50	30		FJEARO
C[N@@H+]1CCc2nc(SCc3c(Cl)cccc3Cl)c(C#N)cc2C1	ZINC000019597388	211239920	/nfs/dbraw/zinc/23/99/20/211239920.db2.gz	LQWZNQOTPIBRNG-UHFFFAOYSA-N	1	0	364.301	4.540	50	30		FJEARO
C/C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccc1	ZINC000019682475	211245921	/nfs/dbraw/zinc/24/59/21/211245921.db2.gz	JTPBASQPIMLDQO-XHPQRKPJSA-N	1	0	367.496	4.798	50	30		FJEARO
CC(C)(CO)/[NH+]=C1\C=CC2=N[C@@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=C1	ZINC000016034663	211153799	/nfs/dbraw/zinc/15/37/99/211153799.db2.gz	PMYKIAMZZBNQCU-IKABDDMGSA-N	1	0	365.521	4.527	50	30		FJEARO
Clc1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1	ZINC000019772967	263376646	/nfs/dbraw/zinc/37/66/46/263376646.db2.gz	VWNQUZHYKHQIOD-LFVJCYFKSA-N	1	0	363.892	4.645	50	30		FJEARO
C=C(C)COc1c(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cccc1OC	ZINC000055414851	518609583	/nfs/dbraw/zinc/60/95/83/518609583.db2.gz	IEVIZZYTYOFACD-GOSISDBHSA-N	1	0	356.466	4.592	50	30		FJEARO
C=CC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1	ZINC000040742783	518952322	/nfs/dbraw/zinc/95/23/22/518952322.db2.gz	SQZQUBRFHOELEZ-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	ZINC000008470410	518952425	/nfs/dbraw/zinc/95/24/25/518952425.db2.gz	QQIGLKSHJIYSBG-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
CCCCCCCCCCCCCCCC[n+]1ccn(CC(=O)NO)c1	ZINC000033353061	520003875	/nfs/dbraw/zinc/00/38/75/520003875.db2.gz	KYXHRRQYBOUYKP-UHFFFAOYSA-O	1	0	366.570	4.762	50	30		FJEARO
CC[NH+](CC)CCOC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1	ZINC000002272148	520692275	/nfs/dbraw/zinc/69/22/75/520692275.db2.gz	CSLYVLVQULCKNF-PXLXIMEGSA-N	1	0	358.869	4.589	50	30		FJEARO
CN(CCC#N)c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1	ZINC000025260255	522673628	/nfs/dbraw/zinc/67/36/28/522673628.db2.gz	KDUNWFSNMFZMGW-UHFFFAOYSA-N	1	0	355.485	4.916	50	30		FJEARO
Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(F)cc1)cn2Cc1ccccc1	ZINC000004542267	525604477	/nfs/dbraw/zinc/60/44/77/525604477.db2.gz	CTXNERBMYXOXHF-UHFFFAOYSA-N	1	0	373.451	4.616	50	30		FJEARO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000239328952	525714472	/nfs/dbraw/zinc/71/44/72/525714472.db2.gz	JWLZILSXRBYLTR-XTKIHQQCSA-N	1	0	367.492	4.881	50	30		FJEARO
O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc(Cl)cc1	ZINC000005740280	527194166	/nfs/dbraw/zinc/19/41/66/527194166.db2.gz	LXVIJFWYOYTUHY-UHFFFAOYSA-N	1	0	359.836	4.726	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC	ZINC000013721329	571120245	/nfs/dbraw/zinc/12/02/45/571120245.db2.gz	VJJOEGXGZMADPI-UHFFFAOYSA-N	1	0	366.288	4.899	50	30		FJEARO
COc1cc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCC#N	ZINC000012930695	571147024	/nfs/dbraw/zinc/14/70/24/571147024.db2.gz	SAWODCJSHVRNBH-KRWDZBQOSA-N	1	0	352.478	4.647	50	30		FJEARO
N#Cc1cc(Br)ccc1NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000095398709	571329286	/nfs/dbraw/zinc/32/92/86/571329286.db2.gz	WEVDZXULKJXBRC-QGZVFWFLSA-N	1	0	374.282	4.553	50	30		FJEARO
C=C1C(c2ccccc2)=[N+](C)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000001250167	210149309	/nfs/dbraw/zinc/14/93/09/210149309.db2.gz	HAXTUDYYZJROKR-BJKOFHAPSA-N	1	0	366.484	4.971	50	30		FJEARO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000101170105	210103199	/nfs/dbraw/zinc/10/31/99/210103199.db2.gz	JWLZILSXRBYLTR-ZFILCQGISA-N	1	0	367.492	4.881	50	30		FJEARO
O[C@@](C#CC[N@@H+]1CC[C@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1	ZINC000101251919	210103125	/nfs/dbraw/zinc/10/31/25/210103125.db2.gz	ZKEKBMWWMAZJKJ-OZXSUGGESA-N	1	0	373.540	4.947	50	30		FJEARO
Cc1cccc(C)c1NC(=S)C(C(=O)c1cccs1)[n+]1ccccc1	ZINC000003376930	204096463	/nfs/dbraw/zinc/09/64/63/204096463.db2.gz	YVCNVCAVELTAQD-UHFFFAOYSA-O	1	0	367.519	4.703	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](C)c4ccccc4)[C@H]3C[C@H]12	ZINC000004086879	206164621	/nfs/dbraw/zinc/16/46/21/206164621.db2.gz	YMDKUNNJPAGDDL-OGYFQOAPSA-N	1	0	353.506	4.651	50	30		FJEARO
CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F	ZINC000016419330	211160483	/nfs/dbraw/zinc/16/04/83/211160483.db2.gz	MUKUQJSVCHTFJV-UHFFFAOYSA-N	1	0	372.415	4.723	50	30		FJEARO
C=CCC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C	ZINC000004711077	263336345	/nfs/dbraw/zinc/33/63/45/263336345.db2.gz	LTQNMEBNNOGKRL-QHCPKHFHSA-N	1	0	354.538	4.630	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@H]3C[C@H]12	ZINC000248203828	518661751	/nfs/dbraw/zinc/66/17/51/518661751.db2.gz	YKAOGMQSLHIEKX-FRTWGHFBSA-N	1	0	371.521	4.505	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@H]3C[C@@H]12	ZINC000248203830	518662051	/nfs/dbraw/zinc/66/20/51/518662051.db2.gz	YKAOGMQSLHIEKX-QYXOIYDBSA-N	1	0	371.521	4.505	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccc(SC)cc1	ZINC000002260612	520568458	/nfs/dbraw/zinc/56/84/58/520568458.db2.gz	NWZNGODFZRHQCF-CCRNYGKSSA-N	1	0	368.593	4.576	50	30		FJEARO
CC[C@H](C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000004845169	523811044	/nfs/dbraw/zinc/81/10/44/523811044.db2.gz	UTJMGUPADYGJMU-HNNXBMFYSA-N	1	0	365.260	4.545	50	30		FJEARO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1	ZINC000226757101	524114558	/nfs/dbraw/zinc/11/45/58/524114558.db2.gz	ANRYFFWMRUYETD-VRYNMQIDSA-N	1	0	360.457	4.820	50	30		FJEARO
[NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc(-c2ccccc2)cc1	ZINC000004909923	526814854	/nfs/dbraw/zinc/81/48/54/526814854.db2.gz	AZHSHDQCVZPDAU-UHFFFAOYSA-N	1	0	364.832	4.679	50	30		FJEARO
O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1cccc2ccccc21	ZINC000001878956	527195402	/nfs/dbraw/zinc/19/54/02/527195402.db2.gz	YFKFJHGNRYDDBF-UHFFFAOYSA-O	1	0	367.428	4.647	50	30	aggregator	FJEARO
CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	ZINC000013769025	570790284	/nfs/dbraw/zinc/79/02/84/570790284.db2.gz	URTBVIYLUZUBBQ-UHFFFAOYSA-N	1	0	359.493	4.569	50	30		FJEARO
Cc1ccc(-c2c[n+](CC(=O)c3cccc4ccccc43)c3n2CCC3)cc1	ZINC000013777610	570791013	/nfs/dbraw/zinc/79/10/13/570791013.db2.gz	GAYZWHVVEAAMFO-UHFFFAOYSA-N	1	0	367.472	4.733	50	30		FJEARO
O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(Cl)cc1Cl	ZINC000017247492	570871243	/nfs/dbraw/zinc/87/12/43/570871243.db2.gz	AGSVNVMWFWBJHO-UHFFFAOYSA-N	1	0	372.275	4.579	50	30		FJEARO
CC(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccc1	ZINC000252615619	571285931	/nfs/dbraw/zinc/28/59/31/571285931.db2.gz	JTPBASQPIMLDQO-UHFFFAOYSA-N	1	0	367.496	4.798	50	30		FJEARO
C=CCc1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)ccc1O	ZINC000065453789	210099369	/nfs/dbraw/zinc/09/93/69/210099369.db2.gz	MHVRPFUBGUWRAA-QFIPXVFZSA-N	1	0	371.484	4.567	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@H]12	ZINC000004028418	206164028	/nfs/dbraw/zinc/16/40/28/206164028.db2.gz	VPTHFEXYJFCRLI-XARADAHVSA-N	1	0	357.538	4.781	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](C)CCc4ccco4)[C@H]3C[C@@H]12	ZINC000004073361	206166109	/nfs/dbraw/zinc/16/61/09/206166109.db2.gz	YKAOGMQSLHIEKX-OEVWDPAPSA-N	1	0	371.521	4.505	50	30		FJEARO
Cc1cccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000019682520	211245716	/nfs/dbraw/zinc/24/57/16/211245716.db2.gz	OUXSONRGLMKDOJ-NLRVBDNBSA-N	1	0	367.496	4.717	50	30		FJEARO
CC(C[C@@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1)[N+](C)=O	ZINC000001398686	210349649	/nfs/dbraw/zinc/34/96/49/210349649.db2.gz	JIWHNIHEQWMNSP-KKJJZKEWSA-N	1	0	368.260	4.597	50	30		FJEARO
C[NH+](C)[C@@H](CNc1oc(C(C)(C)C)nc1C#N)c1ccc(C(C)(C)C)cc1	ZINC000096346223	222116198	/nfs/dbraw/zinc/11/61/98/222116198.db2.gz	ALPUMYWLMZRDPA-SFHVURJKSA-N	1	0	368.525	4.856	50	30		FJEARO
CCCCCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1	ZINC000102566573	222299907	/nfs/dbraw/zinc/29/99/07/222299907.db2.gz	GEGAEQSKQAZBGW-UHFFFAOYSA-N	1	0	358.320	4.916	50	30		FJEARO
C=CCn1c2ccccc2n(CC(=O)c2ccc(-c3ccccc3)cc2)c1=N	ZINC000019720749	263375538	/nfs/dbraw/zinc/37/55/38/263375538.db2.gz	MWWDGEGMMLXFSY-UHFFFAOYSA-N	1	0	367.452	4.658	50	30		FJEARO
C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	ZINC000008471405	518953353	/nfs/dbraw/zinc/95/33/53/518953353.db2.gz	VZGZLFGYPKYSQX-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	ZINC000247992932	518954689	/nfs/dbraw/zinc/95/46/89/518954689.db2.gz	LGTOZKQMSQHXAP-UHFFFAOYSA-N	1	0	373.287	4.576	50	30		FJEARO
C=CC[N+]1(CC#CCOC(c2ccccc2)c2ccccc2)CCCCC1	ZINC000004141086	519120360	/nfs/dbraw/zinc/12/03/60/519120360.db2.gz	ZDJDHLLYIXEUAR-UHFFFAOYSA-N	1	0	360.521	4.983	50	30		FJEARO
CC[NH+](CC)CCC[C@@H](C)Nc1c(C#N)c(SC)nc2ccc(F)cc21	ZINC000214080954	520631135	/nfs/dbraw/zinc/63/11/35/520631135.db2.gz	VOTLIMSLANOCKM-CQSZACIVSA-N	1	0	374.529	4.890	50	30		FJEARO
Cc1ccc(-c2cc[n+](CC(=O)c3ccc(-c4ccccc4)cc3)cn2)cc1	ZINC000005683889	525740141	/nfs/dbraw/zinc/74/01/41/525740141.db2.gz	DPOKOLNGJANCJN-UHFFFAOYSA-N	1	0	365.456	4.894	50	30		FJEARO
Fc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000245318925	526328103	/nfs/dbraw/zinc/32/81/03/526328103.db2.gz	XNQSWLMNTBLBQH-UHFFFAOYSA-N	1	0	371.459	4.547	50	30		FJEARO
O=C(C[n+]1ccc(-c2cccc(Cl)c2)nc1)c1ccc2ccccc2c1	ZINC000005905702	527194544	/nfs/dbraw/zinc/19/45/44/527194544.db2.gz	JGQQOCUORLVDLL-UHFFFAOYSA-N	1	0	359.836	4.726	50	30		FJEARO
CCCCCCCCCCCC[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O	ZINC000097951411	570497140	/nfs/dbraw/zinc/49/71/40/570497140.db2.gz	APHXWUGISRXJSA-HXUWFJFHSA-N	1	0	358.526	4.829	50	30		FJEARO
CCOc1ccc(/N=c2\c(CC)c(C)c(C#N)c3[nH]c4ccccc4n32)cc1	ZINC000102594444	570834160	/nfs/dbraw/zinc/83/41/60/570834160.db2.gz	JQRBHJKJZIFIJA-YYDJUVGSSA-N	1	0	370.456	4.794	50	30		FJEARO
Cc1ccsc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682271	570898468	/nfs/dbraw/zinc/89/84/68/570898468.db2.gz	YEMTVMBSMHAQPT-LFVJCYFKSA-N	1	0	373.525	4.778	50	30		FJEARO
C=CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl	ZINC000006855860	571104012	/nfs/dbraw/zinc/10/40/12/571104012.db2.gz	ZYBZAIHBQIDEQN-UHFFFAOYSA-N	1	0	366.686	4.957	50	30		FJEARO
C=CCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1OC	ZINC000007525106	571104324	/nfs/dbraw/zinc/10/43/24/571104324.db2.gz	ZFRLWJIAFOKGJJ-UHFFFAOYSA-N	1	0	368.315	4.835	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[NH+]3CCCCCC3)CC[C@@H]21	ZINC000004027789	571206100	/nfs/dbraw/zinc/20/61/00/571206100.db2.gz	UWQHCHABBAIPPF-FJIJXJHWSA-N	1	0	367.533	4.963	50	30		FJEARO
Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1	ZINC000170063730	571261572	/nfs/dbraw/zinc/26/15/72/571261572.db2.gz	MSZWVDVUZHLMKA-HNNXBMFYSA-N	1	0	362.864	4.828	50	30		FJEARO
C[C@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)[NH+]1CCCCC1	ZINC000170623766	571269145	/nfs/dbraw/zinc/26/91/45/571269145.db2.gz	VBVLQONKRCXAEE-MRXNPFEDSA-N	1	0	360.461	4.653	50	30		FJEARO
C[NH+](C)CC#CC[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000002268656	571294051	/nfs/dbraw/zinc/29/40/51/571294051.db2.gz	FIBBJDWMSJXEDN-VWLOTQADSA-N	1	0	355.481	4.545	50	30		FJEARO
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH3+]	ZINC000004045707	571354468	/nfs/dbraw/zinc/35/44/68/571354468.db2.gz	YVRGGQGTYCXNRE-BZNRXQDOSA-N	1	0	359.510	4.623	50	30		FJEARO
CC1(C)CC(Nc2nc(Cl)c(C#N)c(Cl)c2Cl)CC(C)(C)[NH2+]1	ZINC000000799232	219322856	/nfs/dbraw/zinc/32/28/56/219322856.db2.gz	LWOIFAFGUUEECI-UHFFFAOYSA-N	1	0	361.704	4.635	50	30		FJEARO
C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C(C)C)C2	ZINC000012571921	220008069	/nfs/dbraw/zinc/00/80/69/220008069.db2.gz	OCAJLBCWHLCQDU-UHFFFAOYSA-N	1	0	355.503	4.728	50	30		FJEARO
CC(C)c1nc(C#N)c(NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)o1	ZINC000096346623	209151981	/nfs/dbraw/zinc/15/19/81/209151981.db2.gz	AIVOGKQMUKRFFC-GOSISDBHSA-N	1	0	354.498	4.682	50	30		FJEARO
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(Cl)cc1	ZINC000013776459	220093611	/nfs/dbraw/zinc/09/36/11/220093611.db2.gz	KMOYABRZGLKXMA-UHFFFAOYSA-N	1	0	372.275	4.579	50	30		FJEARO
CC(C)(CO)/[NH+]=C1\C=CC2=N[C@@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=C1	ZINC000016034662	220176066	/nfs/dbraw/zinc/17/60/66/220176066.db2.gz	PMYKIAMZZBNQCU-WWWUAPMJSA-N	1	0	365.521	4.527	50	30		FJEARO
C=CC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1	ZINC000040739883	518953630	/nfs/dbraw/zinc/95/36/30/518953630.db2.gz	PADZCLDALCTEHB-UHFFFAOYSA-N	1	0	366.686	4.957	50	30		FJEARO
CCCCCCCC(=O)c1c(C)cc(C)cc1OC[C@@H](O)C[NH2+]C(C)C	ZINC000100659108	519966446	/nfs/dbraw/zinc/96/64/46/519966446.db2.gz	GRTPFCLIFDQQAH-IBGZPJMESA-N	1	0	363.542	4.584	50	30		FJEARO
CCCCCCCC[N+](C)(C)CCOc1ccc2c(C)cc(=O)oc2c1	ZINC000002090357	520048279	/nfs/dbraw/zinc/04/82/79/520048279.db2.gz	FIWJYUJIICZRSP-UHFFFAOYSA-N	1	0	360.518	4.917	50	30		FJEARO
[NH2+]=C(CCSc1ccc(Cl)cc1)NOC(=O)c1ccc(Cl)cc1	ZINC000004389472	526812912	/nfs/dbraw/zinc/81/29/12/526812912.db2.gz	VDNINFWNQUQRJF-UHFFFAOYSA-N	1	0	369.273	4.605	50	30		FJEARO
O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccc(-c2ccccc2)cc1	ZINC000005902534	527196346	/nfs/dbraw/zinc/19/63/46/527196346.db2.gz	YNJSEWIMVOHLQB-UHFFFAOYSA-N	1	0	351.429	4.586	50	30		FJEARO
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)CCC)c1ccnc2ccccc21	ZINC000000732514	568162398	/nfs/dbraw/zinc/16/23/98/568162398.db2.gz	OHNDQUSNRRCMEC-BPVRBSMNSA-N	1	0	364.489	4.516	50	30		FJEARO
O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)cc1	ZINC000001039882	570474496	/nfs/dbraw/zinc/47/44/96/570474496.db2.gz	AZJQZTPXXRHFNF-OYRHEFFESA-N	1	0	366.436	4.556	50	30		FJEARO
Cc1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019805796	570903894	/nfs/dbraw/zinc/90/38/94/570903894.db2.gz	RNRDFPQQLKLKFF-LHLOQNFPSA-N	1	0	369.512	4.736	50	30		FJEARO
CCCCC1CCC(c2nc(C#N)c(NCC[NH+]3CCCCC3)o2)CC1	ZINC000008867559	571063594	/nfs/dbraw/zinc/06/35/94/571063594.db2.gz	VOFJWVMYZYKEPC-UHFFFAOYSA-N	1	0	358.530	4.908	50	30		FJEARO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1	ZINC000025949259	571089138	/nfs/dbraw/zinc/08/91/38/571089138.db2.gz	ORZNDDKGJNLALY-XMMPIXPASA-N	1	0	354.453	4.799	50	30		FJEARO
CC1(C)CC(=O)C2=C(C1)[NH+]=C1Nc3ccccc3N1[C@@H]2c1cccc(F)c1	ZINC000009338811	571105479	/nfs/dbraw/zinc/10/54/79/571105479.db2.gz	JPXXCDDVLRLHFU-HXUWFJFHSA-N	1	0	361.420	4.812	50	30		FJEARO
CCC[N+]1(CC#C[C@@](O)(c2ccccc2)C2(C)CCCC2)CCCCC1	ZINC000001754790	571191520	/nfs/dbraw/zinc/19/15/20/571191520.db2.gz	BNSUHDHRIHCYNP-XMMPIXPASA-N	1	0	354.558	4.869	50	30		FJEARO
Cc1cc(C(=O)C[n+]2ccc3ccccc3c2)c(C)n1Cc1cccs1	ZINC000007714555	571286281	/nfs/dbraw/zinc/28/62/81/571286281.db2.gz	CQRCSDOETNQGDC-UHFFFAOYSA-N	1	0	361.490	4.538	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21	ZINC000002087767	219426082	/nfs/dbraw/zinc/42/60/82/219426082.db2.gz	RDKWTBULQNEFPV-BKULYWANSA-N	1	0	368.541	4.718	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[NH+]3CCCCCC3)CC[C@@H]21	ZINC000012659061	220016476	/nfs/dbraw/zinc/01/64/76/220016476.db2.gz	UWQHCHABBAIPPF-SSPYTLHUSA-N	1	0	367.533	4.963	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	ZINC000004786016	207048347	/nfs/dbraw/zinc/04/83/47/207048347.db2.gz	XZZTXAZMJUWECT-FHOUHHFSSA-N	1	0	374.934	4.647	50	30		FJEARO
CN1c2ccccc2C(C)(C)C1=CC(=O)C[n+]1cccc(-c2ccccc2)c1	ZINC000035606867	208133508	/nfs/dbraw/zinc/13/35/08/208133508.db2.gz	OZVIJCKHKMBCQH-JLPGSUDCSA-N	1	0	369.488	4.522	50	30		FJEARO
C(=C/c1ccco1)\C=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019826405	220301195	/nfs/dbraw/zinc/30/11/95/220301195.db2.gz	JAZXDODTSZKGSQ-NAHLOZMDSA-N	1	0	369.468	4.666	50	30		FJEARO
O=[N+](Cc1ccc(F)cc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1	ZINC000080343891	208944955	/nfs/dbraw/zinc/94/49/55/208944955.db2.gz	NQQQOFUICNBZLA-QFEZKATASA-N	1	0	359.360	4.804	50	30		FJEARO
C#CC[N+](CC)(CC)CC#CCN1c2ccccc2Sc2ccccc21	ZINC000067192414	132306126	/nfs/dbraw/zinc/30/61/26/132306126.db2.gz	LIZDTYRHTGVYSQ-UHFFFAOYSA-N	1	0	361.534	4.783	50	30		FJEARO
C[N+](C)(C)Cc1cccn1-c1ccc(Cl)cc1/C(=N/O)c1ccccc1	ZINC000095918136	209086295	/nfs/dbraw/zinc/08/62/95/209086295.db2.gz	FXTWDNQGZWVFDD-XTQSDGFTSA-O	1	0	368.888	4.564	50	30		FJEARO
C=CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1	ZINC000040742582	518952570	/nfs/dbraw/zinc/95/25/70/518952570.db2.gz	CJUSAEBOXIFQMN-UHFFFAOYSA-N	1	0	370.251	4.996	50	30		FJEARO
C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1	ZINC000020876472	518953770	/nfs/dbraw/zinc/95/37/70/518953770.db2.gz	OLQREEOORDIYEO-UHFFFAOYSA-N	1	0	366.686	4.957	50	30		FJEARO
CC[C@@H](C(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000004845170	521883944	/nfs/dbraw/zinc/88/39/44/521883944.db2.gz	UTJMGUPADYGJMU-OAHLLOKOSA-N	1	0	365.260	4.545	50	30		FJEARO
N#CC1(c2ccccc2)CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1	ZINC000215175245	568055941	/nfs/dbraw/zinc/05/59/41/568055941.db2.gz	VKCHPCYPPLRVSG-IBGZPJMESA-N	1	0	352.503	4.657	50	30		FJEARO
C=CC[C@H]1[NH2+][C@@H](CC=C)Cc2c(Br)ccc(Br)c21	ZINC000022418750	568263943	/nfs/dbraw/zinc/26/39/43/568263943.db2.gz	PWYXIEYQBHGUIV-IINYFYTJSA-N	1	0	371.116	4.919	50	30		FJEARO
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccccc1	ZINC000013686383	570784534	/nfs/dbraw/zinc/78/45/34/570784534.db2.gz	SGNQOITYNOVYPF-UHFFFAOYSA-N	1	0	365.884	4.705	50	30		FJEARO
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccccc1Cl	ZINC000016956500	570863596	/nfs/dbraw/zinc/86/35/96/570863596.db2.gz	JBCJSRYWSIYNKE-UHFFFAOYSA-N	1	0	372.275	4.579	50	30		FJEARO
C/C(=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc(F)cc1	ZINC000020065417	570909473	/nfs/dbraw/zinc/90/94/73/570909473.db2.gz	VQUFBKVUOPSCKJ-BWAHOGKJSA-N	1	0	361.464	4.521	50	30		FJEARO
CC1(C)CC(=O)C2=C(C1)[NH+]=C1Nc3ccccc3N1[C@H]2c1cccc(F)c1	ZINC000009338810	571105526	/nfs/dbraw/zinc/10/55/26/571105526.db2.gz	JPXXCDDVLRLHFU-FQEVSTJZSA-N	1	0	361.420	4.812	50	30		FJEARO
C=CC[C@@H]1Cc2c(Br)ccc(Br)c2[C@@H](CC=C)[NH2+]1	ZINC000019860595	571141045	/nfs/dbraw/zinc/14/10/45/571141045.db2.gz	PWYXIEYQBHGUIV-QMTHXVAHSA-N	1	0	371.116	4.919	50	30		FJEARO
CCC[N+]1(CC#C[C@](O)(c2ccccc2)C2CCCCC2)CCCCC1	ZINC000001766914	571192229	/nfs/dbraw/zinc/19/22/29/571192229.db2.gz	WYWXDUIHDMWKHW-DEOSSOPVSA-N	1	0	354.558	4.869	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[NH+]3CCCCCC3)CC[C@H]21	ZINC000012659055	571322590	/nfs/dbraw/zinc/32/25/90/571322590.db2.gz	UWQHCHABBAIPPF-SFLYRZDNSA-N	1	0	367.533	4.963	50	30		FJEARO
O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000328589822	571323480	/nfs/dbraw/zinc/32/34/80/571323480.db2.gz	IMVBGJCHHDABAT-HZPDHXFCSA-N	1	0	371.308	4.736	50	30		FJEARO
CN(C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccccc1Cl	ZINC000027991000	571337399	/nfs/dbraw/zinc/33/73/99/571337399.db2.gz	HXIDNMWZSZGQRP-OAHLLOKOSA-N	1	0	372.881	4.643	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21	ZINC000004029604	571354204	/nfs/dbraw/zinc/35/42/04/571354204.db2.gz	RDKWTBULQNEFPV-SFLYRZDNSA-N	1	0	368.541	4.718	50	30		FJEARO
CC(C)[C@](O)(CC#CC[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2)c1ccccc1	ZINC000002101269	209393361	/nfs/dbraw/zinc/39/33/61/209393361.db2.gz	MNBYKMIRWHPDPD-GMKZXUHWSA-N	1	0	353.550	4.824	50	30		FJEARO
O=C(C[n+]1c(-c2ccc(Cl)cc2)cn2c1CCCCC2)c1ccccc1	ZINC000005899566	207121628	/nfs/dbraw/zinc/12/16/28/207121628.db2.gz	UKHMEHOHLKZHJB-UHFFFAOYSA-N	1	0	365.884	4.705	50	30		FJEARO
CCc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000008687478	207240201	/nfs/dbraw/zinc/24/02/01/207240201.db2.gz	FFRXGZVWUXIOFC-UHFFFAOYSA-N	1	0	353.535	4.611	50	30		FJEARO
CC(C)c1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000008692223	207240577	/nfs/dbraw/zinc/24/05/77/207240577.db2.gz	QQWPAAYLSWYFAO-UHFFFAOYSA-N	1	0	367.562	4.982	50	30		FJEARO
Cc1cccc(-c2ccc(N3CCC([NH+]4CCC(C#N)CC4)CC3)cc2)c1	ZINC000063848342	136132977	/nfs/dbraw/zinc/13/29/77/136132977.db2.gz	VCEARDFFBYWHID-UHFFFAOYSA-N	1	0	359.517	4.866	50	30		FJEARO
CN1c2ccccc2C(C)(C)C1=CC(=O)C[n+]1cccc(-c2ccccc2)c1	ZINC000096794710	222130886	/nfs/dbraw/zinc/13/08/86/222130886.db2.gz	OZVIJCKHKMBCQH-LFVJCYFKSA-N	1	0	369.488	4.522	50	30		FJEARO
[NH2+]=C(Cc1cccc2ccccc21)NOC(=O)c1ccc(Cl)cc1Cl	ZINC000004723503	263336703	/nfs/dbraw/zinc/33/67/03/263336703.db2.gz	KWZDXZCKEWOUTI-UHFFFAOYSA-N	1	0	373.239	4.818	50	30		FJEARO
CCCCCCCOc1ccccc1NC(=O)O[C@@H]1C[NH+]2CCC1CC2	ZINC000095828143	263429250	/nfs/dbraw/zinc/42/92/50/263429250.db2.gz	JGWRUUQLWNQWLG-HXUWFJFHSA-N	1	0	360.498	4.679	50	30		FJEARO
C=CCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1	ZINC000014949124	518683165	/nfs/dbraw/zinc/68/31/65/518683165.db2.gz	NRELPMIOKADINH-UHFFFAOYSA-N	1	0	368.565	4.597	50	30		FJEARO
Cc1cccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000239173851	524336356	/nfs/dbraw/zinc/33/63/56/524336356.db2.gz	OUXSONRGLMKDOJ-UHFFFAOYSA-N	1	0	367.496	4.717	50	30		FJEARO
Cc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000004955375	526236643	/nfs/dbraw/zinc/23/66/43/526236643.db2.gz	KURDRBKMDUDIKE-UHFFFAOYSA-N	1	0	371.651	4.627	50	30		FJEARO
Fc1ccccc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000244712708	526408386	/nfs/dbraw/zinc/40/83/86/526408386.db2.gz	KVBPIEMYTZGDOT-UHFFFAOYSA-N	1	0	371.459	4.547	50	30		FJEARO
C=C(C)c1cccc(C(C)(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000000909604	571129856	/nfs/dbraw/zinc/12/98/56/571129856.db2.gz	ZHVMKRAQBNMRAZ-UHFFFAOYSA-N	1	0	357.542	4.563	50	30		FJEARO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004477934	571270942	/nfs/dbraw/zinc/27/09/42/571270942.db2.gz	JWLZILSXRBYLTR-JFWNMISASA-N	1	0	367.492	4.881	50	30		FJEARO
C[NH+](C)[C@@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)c1ccco1	ZINC000027562234	571317634	/nfs/dbraw/zinc/31/76/34/571317634.db2.gz	OOCHZTUCMKWGRO-IBGZPJMESA-N	1	0	372.428	4.674	50	30		FJEARO
Cc1ccc(C[N+](=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1	ZINC000080343828	571329073	/nfs/dbraw/zinc/32/90/73/571329073.db2.gz	NWAGUWZIIIWSPE-MYYYXRDXSA-N	1	0	355.397	4.973	50	30		FJEARO
N#Cc1cc(Br)ccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000095398710	571329331	/nfs/dbraw/zinc/32/93/31/571329331.db2.gz	WEVDZXULKJXBRC-KRWDZBQOSA-N	1	0	374.282	4.553	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@H]12	ZINC000012659729	220016742	/nfs/dbraw/zinc/01/67/42/220016742.db2.gz	VPTHFEXYJFCRLI-AIDNLNPPSA-N	1	0	357.538	4.781	50	30		FJEARO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000013371113	220065422	/nfs/dbraw/zinc/06/54/22/220065422.db2.gz	JWLZILSXRBYLTR-FSAHKVHBSA-N	1	0	367.492	4.881	50	30		FJEARO
Cc1ccc(C[N+](=O)[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000013756157	220093274	/nfs/dbraw/zinc/09/32/74/220093274.db2.gz	ADVKQSULBPRXGV-VJOZSWGJSA-N	1	0	356.516	4.567	50	30		FJEARO
O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(Cl)cc1Cl	ZINC000005673629	207112683	/nfs/dbraw/zinc/11/26/83/207112683.db2.gz	UJCSBDSDBQOXRH-UHFFFAOYSA-N	1	0	356.179	4.514	50	30		FJEARO
C[N@@H+]1CCc2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)cc2C1	ZINC000019852714	220302236	/nfs/dbraw/zinc/30/22/36/220302236.db2.gz	XHEJRAPJLPOFJF-UHFFFAOYSA-N	1	0	364.301	4.540	50	30		FJEARO
CCCCCCCC[NH2+]CCCNc1cc[n+]([O-])c2cc(Cl)ccc12	ZINC000095882238	263429661	/nfs/dbraw/zinc/42/96/61/263429661.db2.gz	VWVAUUPCKRYSIB-UHFFFAOYSA-N	1	0	363.933	4.879	50	30		FJEARO
C=CC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1	ZINC000040742650	518953252	/nfs/dbraw/zinc/95/32/52/518953252.db2.gz	RKPHWZWCKVYTSG-UHFFFAOYSA-N	1	0	370.251	4.996	50	30		FJEARO
C=CC[C@@H]1Cc2c(Br)ccc(Br)c2[C@H](CC=C)[NH2+]1	ZINC000022418757	568263923	/nfs/dbraw/zinc/26/39/23/568263923.db2.gz	PWYXIEYQBHGUIV-YGRLFVJLSA-N	1	0	371.116	4.919	50	30		FJEARO
Cc1ccc(-c2c[n+](CC(=O)c3ccc(C(C)(C)C)cc3)c3n2CCC3)cc1	ZINC000013776094	570791109	/nfs/dbraw/zinc/79/11/09/570791109.db2.gz	BNXKPXNENPEFSB-UHFFFAOYSA-N	1	0	373.520	4.878	50	30		FJEARO
CC(C)CC(=O)NC(Nc1ccccc1)=[NH+]CCc1c[nH]c2ccccc12	ZINC000032943138	570917568	/nfs/dbraw/zinc/91/75/68/570917568.db2.gz	WSIIIDANRJBLNT-UHFFFAOYSA-N	1	0	362.477	4.990	50	30		FJEARO
C=CCC1(CC=C)CCCC[N@@H+]1Cc1nc(COc2ccccc2)no1	ZINC000011998170	571117318	/nfs/dbraw/zinc/11/73/18/571117318.db2.gz	SMTMHYAXNOCDME-UHFFFAOYSA-N	1	0	353.466	4.526	50	30		FJEARO
COc1cc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)ccc1OCC#N	ZINC000012930701	571146997	/nfs/dbraw/zinc/14/69/97/571146997.db2.gz	SAWODCJSHVRNBH-QGZVFWFLSA-N	1	0	352.478	4.647	50	30		FJEARO
Cn1c2ccc(CNC(=O)C3(Cc4ccccc4)CC3)cc2nc1C1CC1	ZINC000328590064	571323483	/nfs/dbraw/zinc/32/34/83/571323483.db2.gz	ZDFSVVMDNISCFQ-UHFFFAOYSA-N	1	0	359.473	4.930	50	30		FJEARO
N#CCCCOc1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c1	ZINC000328594863	571323689	/nfs/dbraw/zinc/32/36/89/571323689.db2.gz	DYTGBPSHVYCIRQ-UHFFFAOYSA-N	1	0	354.881	4.697	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21	ZINC000004029605	571354238	/nfs/dbraw/zinc/35/42/38/571354238.db2.gz	RDKWTBULQNEFPV-SSPYTLHUSA-N	1	0	368.541	4.718	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[NH+]3CCCCC3)CC[C@@H]21	ZINC000004027270	219534327	/nfs/dbraw/zinc/53/43/27/219534327.db2.gz	XPMGQNDZUDZVOU-RRPUWOKSSA-N	1	0	353.506	4.573	50	30		FJEARO
O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccc(-c2ccccc2)cc1	ZINC000004542304	219583859	/nfs/dbraw/zinc/58/38/59/219583859.db2.gz	UYDSTWTZFMOJOR-UHFFFAOYSA-N	1	0	351.429	4.586	50	30		FJEARO
C[C@@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)[NH+]1CCCCC1	ZINC000170623765	209547466	/nfs/dbraw/zinc/54/74/66/209547466.db2.gz	VBVLQONKRCXAEE-INIZCTEOSA-N	1	0	360.461	4.653	50	30		FJEARO
Cc1ccc(C[N+](=O)[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000004785503	207047862	/nfs/dbraw/zinc/04/78/62/207047862.db2.gz	TZKQZCLJUWSIKL-GFHXCNCHSA-N	1	0	370.543	4.563	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@H]1[N+](=O)Cc1c(F)cccc1Cl	ZINC000004786015	207047925	/nfs/dbraw/zinc/04/79/25/207047925.db2.gz	XZZTXAZMJUWECT-IPZKOZABSA-N	1	0	374.934	4.647	50	30		FJEARO
N#Cc1ccc(COCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1	ZINC000075156598	208191550	/nfs/dbraw/zinc/19/15/50/208191550.db2.gz	DILQYHFHKHSURU-UHFFFAOYSA-N	1	0	354.881	4.640	50	30		FJEARO
O=C1CC(c2c(F)cccc2Cl)CC(=O)C1[C@@H]1[NH2+]CCc2ccccc21	ZINC000020389293	220325355	/nfs/dbraw/zinc/32/53/55/220325355.db2.gz	IKUGWBZHIPHPDF-LRTDBIEQSA-N	1	0	371.839	4.625	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)c2ccnn2C)cc1Cl	ZINC000055307605	221065895	/nfs/dbraw/zinc/06/58/95/221065895.db2.gz	OSOSPPIHZCWHPX-HNNXBMFYSA-N	1	0	354.281	4.533	50	30		FJEARO
C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21	ZINC000029487394	519077763	/nfs/dbraw/zinc/07/77/63/519077763.db2.gz	ZAYIECMNEXXRPQ-IBGZPJMESA-N	1	0	352.503	4.523	50	30		FJEARO
O=[N+](Cc1cccc(F)c1)c1ccc(-c2nc(-c3ccccc3)no2)cc1	ZINC000080343906	526391637	/nfs/dbraw/zinc/39/16/37/526391637.db2.gz	ZJGIKQJLBGDPCS-QFEZKATASA-N	1	0	359.360	4.804	50	30		FJEARO
O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccc(-c2ccccc2)cc1	ZINC000006341092	527196267	/nfs/dbraw/zinc/19/62/67/527196267.db2.gz	KLAHNGDEOVZNBZ-UHFFFAOYSA-N	1	0	357.458	4.648	50	30		FJEARO
Cc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCCCC3)cc1	ZINC000013154518	570775093	/nfs/dbraw/zinc/77/50/93/570775093.db2.gz	IFHMUNAIFQSUDX-UHFFFAOYSA-N	1	0	359.493	4.669	50	30		FJEARO
N#CC1(c2ccccc2)CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1	ZINC000023703118	570966729	/nfs/dbraw/zinc/96/67/29/570966729.db2.gz	JLULSGNZFPXTMB-UHFFFAOYSA-N	1	0	373.544	4.645	50	30		FJEARO
C=C1C(c2ccccc2)=[N+](C)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000001250168	571044598	/nfs/dbraw/zinc/04/45/98/571044598.db2.gz	HAXTUDYYZJROKR-DNQXCXABSA-N	1	0	366.484	4.971	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21	ZINC000002087770	571124587	/nfs/dbraw/zinc/12/45/87/571124587.db2.gz	RDKWTBULQNEFPV-FJIJXJHWSA-N	1	0	368.541	4.718	50	30		FJEARO
CCCc1ccc([C@H]([NH2+]CCC(=O)Nc2sccc2C#N)C(C)C)cc1	ZINC000012879985	571137717	/nfs/dbraw/zinc/13/77/17/571137717.db2.gz	DPIDGWULYAWAFH-HXUWFJFHSA-N	1	0	369.534	4.888	50	30		FJEARO
CN(C)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccccc1Cl	ZINC000027990974	571337386	/nfs/dbraw/zinc/33/73/86/571337386.db2.gz	IVEYBMMAJWQXGM-SFHVURJKSA-N	1	0	366.852	4.581	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@@H]12	ZINC000004028417	571354137	/nfs/dbraw/zinc/35/41/37/571354137.db2.gz	VPTHFEXYJFCRLI-ZFVIQDPVSA-N	1	0	357.538	4.781	50	30		FJEARO
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21	ZINC000004029603	571354262	/nfs/dbraw/zinc/35/42/62/571354262.db2.gz	RDKWTBULQNEFPV-JCTONOIOSA-N	1	0	368.541	4.718	50	30		FJEARO
CCCc1c/c(=[NH+]\c2ccc(N(C)C)cc2)n2c3ccccc3[nH]c2c1C#N	ZINC000102930948	209244601	/nfs/dbraw/zinc/24/46/01/209244601.db2.gz	PLZQOIVYADHIRT-YYDJUVGSSA-N	1	0	369.472	4.543	50	30		FJEARO
CCCCCCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1	ZINC000102552389	209236817	/nfs/dbraw/zinc/23/68/17/209236817.db2.gz	AIGMRSZUNHIBPM-UHFFFAOYSA-N	1	0	365.481	4.515	50	30		FJEARO
C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2ccc(F)c(OC)c2)oc1C	ZINC000012590515	220010998	/nfs/dbraw/zinc/01/09/98/220010998.db2.gz	OSEVEXKDRVPXGU-RHSMWYFYSA-N	1	0	356.441	4.893	50	30		FJEARO
CC(C)(CO)/[NH+]=C1\C=CC2=N[C@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=C1	ZINC000002289369	206908829	/nfs/dbraw/zinc/90/88/29/206908829.db2.gz	PMYKIAMZZBNQCU-ZHTBEGLXSA-N	1	0	365.521	4.527	50	30		FJEARO
Cc1c(Cl)cccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000008693985	207240605	/nfs/dbraw/zinc/24/06/05/207240605.db2.gz	WGDSAFOTCQLQRE-UHFFFAOYSA-N	1	0	373.953	4.820	50	30		FJEARO
Fc1ccccc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682263	220285005	/nfs/dbraw/zinc/28/50/05/220285005.db2.gz	KVBPIEMYTZGDOT-YZSQISJMSA-N	1	0	371.459	4.547	50	30		FJEARO
Cc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682419	220285888	/nfs/dbraw/zinc/28/58/88/220285888.db2.gz	RFYNERGQWHJBKU-NLRVBDNBSA-N	1	0	367.496	4.717	50	30		FJEARO
CN(C)C=[NH+]C(=Nc1ccccc1)SCc1c(Cl)cccc1Cl	ZINC000095691964	209085030	/nfs/dbraw/zinc/08/50/30/209085030.db2.gz	ASRKZOUNGQQGMC-UHFFFAOYSA-O	1	0	367.325	4.995	50	30		FJEARO
CCCCCCCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1	ZINC000102561763	222300386	/nfs/dbraw/zinc/30/03/86/222300386.db2.gz	OTCDWJPQUQIVJZ-UHFFFAOYSA-N	1	0	358.320	4.916	50	30		FJEARO
CCc1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1	ZINC000019772960	263376629	/nfs/dbraw/zinc/37/66/29/263376629.db2.gz	HCOARJZEIVOKOX-XIEYBQDHSA-N	1	0	357.501	4.554	50	30		FJEARO
C(=C/c1ccccc1)\C=N\N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000019773118	263376675	/nfs/dbraw/zinc/37/66/75/263376675.db2.gz	GDUPRQHWKMSZPF-WGXYEJQQSA-N	1	0	355.485	4.657	50	30		FJEARO
CCCCCCCC(=O)c1c(C)cc(C)cc1OC[C@H](O)C[NH2+]C(C)C	ZINC000100659105	519966755	/nfs/dbraw/zinc/96/67/55/519966755.db2.gz	GRTPFCLIFDQQAH-LJQANCHMSA-N	1	0	363.542	4.584	50	30		FJEARO
Cc1ccccc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000244742218	525091997	/nfs/dbraw/zinc/09/19/97/525091997.db2.gz	ODVWGMMOKQFGKL-UHFFFAOYSA-N	1	0	367.496	4.717	50	30		FJEARO
C[C@H]1CCCC[N@@H+]1Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1	ZINC000226757109	526251146	/nfs/dbraw/zinc/25/11/46/526251146.db2.gz	ANRYFFWMRUYETD-QWVAQTLSSA-N	1	0	360.457	4.820	50	30		FJEARO
Cc1cccc(-c2cccc(N3CCC([NH+]4CCC(C#N)CC4)CC3)c2)c1	ZINC000019741457	570901769	/nfs/dbraw/zinc/90/17/69/570901769.db2.gz	ANKZYWPZSUWOEY-UHFFFAOYSA-N	1	0	359.517	4.866	50	30		FJEARO
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)CCC)c1ccnc2ccccc21	ZINC000072111996	570942669	/nfs/dbraw/zinc/94/26/69/570942669.db2.gz	OHNDQUSNRRCMEC-ISFWSWAHSA-N	1	0	364.489	4.516	50	30		FJEARO
Cc1ccccc1NC(=S)N(CCC[NH+]1CCCCC1)Cc1ccco1	ZINC000008690797	571054994	/nfs/dbraw/zinc/05/49/94/571054994.db2.gz	FUQVHDRCAPOHNG-UHFFFAOYSA-N	1	0	371.550	4.884	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC	ZINC000008470112	571110974	/nfs/dbraw/zinc/11/09/74/571110974.db2.gz	ZQMOHFANOLCYHZ-UHFFFAOYSA-N	1	0	361.913	4.972	50	30		FJEARO
C=CCC1(CC=C)CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1	ZINC000011839740	571116885	/nfs/dbraw/zinc/11/68/85/571116885.db2.gz	LQUGNBPGZXIEMB-UHFFFAOYSA-N	1	0	355.457	4.676	50	30		FJEARO
CCCc1ccc([C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)C(C)C)cc1	ZINC000012879979	571137729	/nfs/dbraw/zinc/13/77/29/571137729.db2.gz	DPIDGWULYAWAFH-FQEVSTJZSA-N	1	0	369.534	4.888	50	30		FJEARO
Cc1ccc(-c2c[n+]3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1	ZINC000001824401	571172454	/nfs/dbraw/zinc/17/24/54/571172454.db2.gz	LHHSNAOMZPDSFW-UHFFFAOYSA-N	1	0	361.852	4.739	50	30		FJEARO
C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCCC1	ZINC000001828840	571197454	/nfs/dbraw/zinc/19/74/54/571197454.db2.gz	NDZGLESCGLENIS-UHFFFAOYSA-N	1	0	350.485	4.854	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@H]1[N+](=O)Cc1ccc(Cl)cc1	ZINC000004785614	571236135	/nfs/dbraw/zinc/23/61/35/571236135.db2.gz	PDXUOEFQCPXMIV-AXLWCPOOSA-N	1	0	356.944	4.508	50	30		FJEARO
C[N@H+](CCOc1ccccc1F)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000012978601	571322933	/nfs/dbraw/zinc/32/29/33/571322933.db2.gz	YEMHXTWACUVHCW-UHFFFAOYSA-N	1	0	360.432	4.875	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)CCc4ccco4)[C@H]3C[C@@H]12	ZINC000012864527	209573744	/nfs/dbraw/zinc/57/37/44/209573744.db2.gz	YKAOGMQSLHIEKX-IDOYAUIQSA-N	1	0	371.521	4.505	50	30		FJEARO
C[NH+](C)CC#CC[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000002268655	209395826	/nfs/dbraw/zinc/39/58/26/209395826.db2.gz	FIBBJDWMSJXEDN-RUZDIDTESA-N	1	0	355.481	4.545	50	30		FJEARO
Cc1ccc(C[N+](=O)[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000013756159	220093685	/nfs/dbraw/zinc/09/36/85/220093685.db2.gz	ADVKQSULBPRXGV-IZQLPPHKSA-N	1	0	356.516	4.567	50	30		FJEARO
Fc1cccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000019861289	220302189	/nfs/dbraw/zinc/30/21/89/220302189.db2.gz	KVCXQWRUVRNOHS-YZSQISJMSA-N	1	0	371.459	4.547	50	30		FJEARO
COc1ccc(C(=O)/C=C/C2=C([NH+]3CCCCC3)Cc3ccccc32)cc1	ZINC000055129804	221060439	/nfs/dbraw/zinc/06/04/39/221060439.db2.gz	RNGOWLDMNPPYJN-BUHFOSPRSA-N	1	0	359.469	4.887	50	30		FJEARO
CCCCCCCOc1ccccc1NC(=O)O[C@H]1C[NH+]2CCC1CC2	ZINC000095828144	263429694	/nfs/dbraw/zinc/42/96/94/263429694.db2.gz	JGWRUUQLWNQWLG-FQEVSTJZSA-N	1	0	360.498	4.679	50	30		FJEARO
C#CC[N@@H+](Cc1nc(-c2ccc(F)c(OC)c2)oc1C)C1CCCCC1	ZINC000020513971	518262317	/nfs/dbraw/zinc/26/23/17/518262317.db2.gz	OZXWUZSJCVKOLK-UHFFFAOYSA-N	1	0	356.441	4.566	50	30		FJEARO
C=CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	ZINC000008471283	518952195	/nfs/dbraw/zinc/95/21/95/518952195.db2.gz	NBYQOIZXILXHID-UHFFFAOYSA-N	1	0	352.261	4.857	50	30		FJEARO
C=CC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1	ZINC000247972844	518954335	/nfs/dbraw/zinc/95/43/35/518954335.db2.gz	DWVBYORVOCNHPH-UHFFFAOYSA-N	1	0	373.287	4.576	50	30		FJEARO
CCCCN1C(=S)SC(C)(C)[C@H]1[N+](=O)Cc1ccc(SC)cc1	ZINC000002260614	520568374	/nfs/dbraw/zinc/56/83/74/520568374.db2.gz	NWZNGODFZRHQCF-VUFYJBQKSA-N	1	0	368.593	4.576	50	30		FJEARO
CN(C)/C=[NH+]/C(=N\OCc1c(F)cccc1Cl)c1ccc(Cl)cc1	ZINC000004323295	523967526	/nfs/dbraw/zinc/96/75/26/523967526.db2.gz	XGIYMKFRLFPLRV-SZEFWNCNSA-N	1	0	368.239	4.601	50	30		FJEARO
Cc1cccc(-c2cc[n+](CC(=O)c3ccc(-c4ccccc4)cc3)cn2)c1	ZINC000006317624	524108946	/nfs/dbraw/zinc/10/89/46/524108946.db2.gz	WGJOORHJYGDKMO-UHFFFAOYSA-N	1	0	365.456	4.894	50	30		FJEARO
Cc1ccc(-c2c[n+](CC(=O)c3ccc(C(C)C)cc3)c3n2CCC3)cc1	ZINC000016972194	525712149	/nfs/dbraw/zinc/71/21/49/525712149.db2.gz	RAQQOVYWRHNLBK-UHFFFAOYSA-N	1	0	359.493	4.704	50	30		FJEARO
Cc1ccc(C(=O)C[n+]2ccc(-c3ccc(-c4ccccc4)cc3)nc2)cc1	ZINC000006273007	526051435	/nfs/dbraw/zinc/05/14/35/526051435.db2.gz	ANRXHSORFGVIIY-UHFFFAOYSA-N	1	0	365.456	4.894	50	30		FJEARO
O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccc(F)cc1	ZINC000063598823	526433172	/nfs/dbraw/zinc/43/31/72/526433172.db2.gz	UQYCAFFUZPEUAV-HDICACEKSA-N	1	0	372.465	4.617	50	30		FJEARO
O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1ccc(Cl)cc1Cl	ZINC000005900632	527195944	/nfs/dbraw/zinc/19/59/44/527195944.db2.gz	COHVQCYWJRFUJF-UHFFFAOYSA-N	1	0	357.260	4.755	50	30		FJEARO
Cc1c(-c2ccccc2)n(CC(=O)c2ccc(Cl)cc2)c2cccc[n+]12	ZINC000002911316	570544035	/nfs/dbraw/zinc/54/40/35/570544035.db2.gz	WZMLLLZQTGGZPF-UHFFFAOYSA-N	1	0	361.852	4.739	50	30		FJEARO
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[NH+]3CCCCC3)CC[C@@H]21	ZINC000000856756	570630114	/nfs/dbraw/zinc/63/01/14/570630114.db2.gz	XPMGQNDZUDZVOU-WPYKKVEZSA-N	1	0	353.506	4.573	50	30		FJEARO
Cc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1cccc(Cl)c1	ZINC000014117936	570806492	/nfs/dbraw/zinc/80/64/92/570806492.db2.gz	XLZSBNGHNXTUBL-UHFFFAOYSA-N	1	0	364.880	4.715	50	30		FJEARO
CCN(CC)/C(=[NH+]\C)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000019900963	570905824	/nfs/dbraw/zinc/90/58/24/570905824.db2.gz	OSOLBUDHIZHHPR-ZZEZOPTASA-N	1	0	361.829	4.759	50	30		FJEARO
C/[NH+]=C(/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCCC1	ZINC000003082342	571053783	/nfs/dbraw/zinc/05/37/83/571053783.db2.gz	OLPINZCSMGTVQU-VZCXRCSSSA-N	1	0	373.840	4.903	50	30		FJEARO
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)[NH+]=C3Nc4ccccc4N32)cc1	ZINC000009378963	571107588	/nfs/dbraw/zinc/10/75/88/571107588.db2.gz	RHBCPBREBOUHCY-NRFANRHFSA-N	1	0	373.456	4.681	50	30		FJEARO
COc1ccc2c(ccc[n+]2CC(=O)c2ccc(-c3ccccc3)cc2)c1	ZINC000001594064	571132162	/nfs/dbraw/zinc/13/21/62/571132162.db2.gz	CYLUZBRFOAOAEF-UHFFFAOYSA-N	1	0	354.429	4.686	50	30		FJEARO
CCN(CC)/C(=[NH+]/C)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000005900324	571167756	/nfs/dbraw/zinc/16/77/56/571167756.db2.gz	OSOLBUDHIZHHPR-CZIZESTLSA-N	1	0	361.829	4.759	50	30		FJEARO
C[N+](C)(CCC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1	ZINC000001827550	571197463	/nfs/dbraw/zinc/19/74/63/571197463.db2.gz	KAFKIEAZHPDMFH-UHFFFAOYSA-N	1	0	368.500	4.573	50	30		FJEARO
COc1ccc(C(=O)/C=C\C2=C([NH+]3CCCCC3)Cc3ccccc32)cc1	ZINC000033286248	571229958	/nfs/dbraw/zinc/22/99/58/571229958.db2.gz	RNGOWLDMNPPYJN-YPKPFQOOSA-N	1	0	359.469	4.887	50	30		FJEARO
Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)nc(-c2ccc(Cl)cc2)n1	ZINC000170063732	571261635	/nfs/dbraw/zinc/26/16/35/571261635.db2.gz	MSZWVDVUZHLMKA-OAHLLOKOSA-N	1	0	362.864	4.828	50	30		FJEARO
C[NH+](C)[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1cccs1	ZINC000027793366	571321341	/nfs/dbraw/zinc/32/13/41/571321341.db2.gz	AKVGXCSOELJPMS-HNNXBMFYSA-N	1	0	372.881	4.643	50	30		FJEARO
C[N@@H+]1CCc2nc(SCc3ccccc3)c(C#N)c(-c3ccccc3)c2C1	ZINC000019889335	571327704	/nfs/dbraw/zinc/32/77/04/571327704.db2.gz	BVNZLEVITXOIKI-UHFFFAOYSA-N	1	0	371.509	4.900	50	30		FJEARO
C=CCNC(=O)c1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C)s2)o1	ZINC000096280613	571335032	/nfs/dbraw/zinc/33/50/32/571335032.db2.gz	UDBNNTSEDUYXGB-UHFFFAOYSA-N	1	0	360.523	4.614	50	30		FJEARO
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH3+]	ZINC000004045706	571354443	/nfs/dbraw/zinc/35/44/43/571354443.db2.gz	YVRGGQGTYCXNRE-GWWHBBDRSA-N	1	0	359.510	4.623	50	30		FJEARO
CC(C)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)cc1	ZINC000020649409	220337762	/nfs/dbraw/zinc/33/77/62/220337762.db2.gz	GCLSXEBXAMIOTQ-BKUYFWCQSA-N	1	0	363.457	4.728	50	30		FJEARO
CCCCCCC[NH2+]Cc1ccc(OC[C@H](O)c2ccccc2)c(OC)c1	ZINC000097966058	222217487	/nfs/dbraw/zinc/21/74/87/222217487.db2.gz	FUWKRRZAEFGFAU-NRFANRHFSA-N	1	0	371.521	4.868	50	30		FJEARO
C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21	ZINC000029487392	519078259	/nfs/dbraw/zinc/07/82/59/519078259.db2.gz	ZAYIECMNEXXRPQ-LJQANCHMSA-N	1	0	352.503	4.523	50	30		FJEARO
COc1ccc(CC[N@H+](C)CCC[C@@H](C#N)c2ccccc2C)cc1OC	ZINC000006208034	523938471	/nfs/dbraw/zinc/93/84/71/523938471.db2.gz	RUVKGJRDWNRUPP-FQEVSTJZSA-N	1	0	366.505	4.574	50	30		FJEARO
COc1cccc(C[N+](=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1	ZINC000080343882	525776815	/nfs/dbraw/zinc/77/68/15/525776815.db2.gz	KMELWQCBNIALIM-MYYYXRDXSA-N	1	0	371.396	4.673	50	30		FJEARO
Fc1cccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000244712710	526383250	/nfs/dbraw/zinc/38/32/50/526383250.db2.gz	KVCXQWRUVRNOHS-UHFFFAOYSA-N	1	0	371.459	4.547	50	30		FJEARO
CC[NH+](CC)CCCNc1oc(-c2ccc(C(C)(C)C)cc2)nc1C#N	ZINC000002413391	570654298	/nfs/dbraw/zinc/65/42/98/570654298.db2.gz	JPCPKUQHWOPWHV-UHFFFAOYSA-N	1	0	354.498	4.655	50	30		FJEARO
CC(/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)=C\c1ccco1	ZINC000012561025	570750860	/nfs/dbraw/zinc/75/08/60/570750860.db2.gz	PWXODHXSENWBIL-WKAVQYMISA-N	1	0	359.473	4.640	50	30		FJEARO
C/C(=N\N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc(F)cc1	ZINC000019849115	570904996	/nfs/dbraw/zinc/90/49/96/570904996.db2.gz	VQUFBKVUOPSCKJ-XIEYBQDHSA-N	1	0	361.464	4.521	50	30		FJEARO
C[N@@H+]1[C@@H](c2ccccc2)C[C@](O)(C#Cc2ccccc2)C[C@H]1c1ccccc1	ZINC000248130505	571075006	/nfs/dbraw/zinc/07/50/06/571075006.db2.gz	NASUIEJNHAJFHJ-OOSCYNTBSA-N	1	0	367.492	4.977	50	30		FJEARO
C=CCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OC	ZINC000007525128	571104357	/nfs/dbraw/zinc/10/43/57/571104357.db2.gz	JFVKTAFAHGLSFG-UHFFFAOYSA-N	1	0	370.880	4.727	50	30		FJEARO
C=CCC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C	ZINC000004711075	571167776	/nfs/dbraw/zinc/16/77/76/571167776.db2.gz	LTQNMEBNNOGKRL-HSZRJFAPSA-N	1	0	354.538	4.630	50	30		FJEARO
CCC[N+]1(CC#C[C@@](O)(c2ccccc2)C2CCCCC2)CCCCC1	ZINC000001766911	571192138	/nfs/dbraw/zinc/19/21/38/571192138.db2.gz	WYWXDUIHDMWKHW-XMMPIXPASA-N	1	0	354.558	4.869	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@H]3C[C@@H]12	ZINC000004073362	571210925	/nfs/dbraw/zinc/21/09/25/571210925.db2.gz	YKAOGMQSLHIEKX-XPKVDYDOSA-N	1	0	371.521	4.505	50	30		FJEARO
Clc1ccccc1/C=N/c1nc2ccccc2n1CC[NH+]1CCCCC1	ZINC000004741745	571230219	/nfs/dbraw/zinc/23/02/19/571230219.db2.gz	LKHSKFCFXDYMHI-XQNSMLJCSA-N	1	0	366.896	4.926	50	30		FJEARO
O[C@](C#CC[N@@H+]1CC[C@@H](c2ccccc2)C1)(c1ccccc1)C1CCCCC1	ZINC000004806656	571237305	/nfs/dbraw/zinc/23/73/05/571237305.db2.gz	ZKEKBMWWMAZJKJ-ZEQKJWHPSA-N	1	0	373.540	4.947	50	30		FJEARO
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@@H]3C[C@H]12	ZINC000006824181	571248264	/nfs/dbraw/zinc/24/82/64/571248264.db2.gz	YKAOGMQSLHIEKX-WXVKEMSFSA-N	1	0	371.521	4.505	50	30		FJEARO
C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(OCc2ccccn2)c1	ZINC000170591664	571266135	/nfs/dbraw/zinc/26/61/35/571266135.db2.gz	YMCGGMODIJYJIC-GOSISDBHSA-N	1	0	360.432	4.502	50	30		FJEARO
CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(Cl)cc3)sc2C(C)(C)[NH2+]1	ZINC000002374336	571320054	/nfs/dbraw/zinc/32/00/54/571320054.db2.gz	GUZMNHDMSMQGGV-UHFFFAOYSA-N	1	0	373.909	4.685	50	30		FJEARO
COc1ccc2c(ccc[n+]2Cc2ccc(-c3ccccc3C#N)cc2)c1	ZINC000079047144	571326658	/nfs/dbraw/zinc/32/66/58/571326658.db2.gz	BWGOHHXZMGBEDT-UHFFFAOYSA-N	1	0	351.429	4.723	50	30		FJEARO
N#Cc1nc(-c2ccco2)oc1NC[C@H](c1cccs1)[NH+]1CCCCC1	ZINC000028251142	571338878	/nfs/dbraw/zinc/33/88/78/571338878.db2.gz	WYVXHZHRGBKJNI-OAHLLOKOSA-N	1	0	368.462	4.507	50	30		FJEARO