smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000252462932	291139555	/nfs/dbraw/zinc/13/95/55/291139555.db2.gz	XOEFQGQIXMPRIN-ZKSSIVGNSA-N	1	0	398.506	5.029	50	30	biogenic,in-vitro	GKEARO
CC1(C)SC(=S)N(c2ccccc2)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	ZINC000001436805	209328067	/nfs/dbraw/zinc/32/80/67/209328067.db2.gz	STFMVAFRKLDZMW-SJJOQSKNSA-N	1	0	394.924	5.051	50	30		GKEARO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000217457245	212112434	/nfs/dbraw/zinc/11/24/34/212112434.db2.gz	XOEFQGQIXMPRIN-IYNDAXALSA-N	1	0	398.506	5.029	50	30	biogenic	GKEARO
C=CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1	ZINC000015016645	212099227	/nfs/dbraw/zinc/09/92/27/212099227.db2.gz	PHPTWPMNDLTACF-HSZRJFAPSA-N	1	0	397.478	5.410	50	30		GKEARO
Cc1[nH+]c2c(c3[nH]c4ccccc4c31)C(=NN(C)c1ccccc1)CC(C)(C)C2	ZINC000004729432	204069641	/nfs/dbraw/zinc/06/96/41/204069641.db2.gz	XCNRTRKIBSNHBT-SGWCAAJKSA-N	1	0	382.511	5.837	50	30	biogenic	GKEARO
C=CCN1c2ccccc2S/C1=C/C=C/c1sc2ccccc2[n+]1CC=C	ZINC000001627077	209169098	/nfs/dbraw/zinc/16/90/98/209169098.db2.gz	QHFLVMNSPJMLJQ-UHFFFAOYSA-N	1	0	389.569	6.028	50	30		GKEARO
C[NH+](C)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(C(C)(C)C)cc1	ZINC000096346532	211336025	/nfs/dbraw/zinc/33/60/25/211336025.db2.gz	OPOPTVYYTHHVQL-OAQYLSRUSA-N	1	0	388.515	5.226	50	30		GKEARO
Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[N@H+](C)CC3)cc1	ZINC000020083729	207177036	/nfs/dbraw/zinc/17/70/36/207177036.db2.gz	LCNDFZZQJKCFEU-UHFFFAOYSA-N	1	0	391.565	5.270	50	30		GKEARO
Cc1ccc(CCSc2ccc(C(C)(C)C)cc2)c[n+]1CC(=O)C(C)(C)C	ZINC000002810248	220570593	/nfs/dbraw/zinc/57/05/93/220570593.db2.gz	CVKAMKPAVPJFGU-UHFFFAOYSA-N	1	0	384.609	5.530	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000005425377	220866689	/nfs/dbraw/zinc/86/66/89/220866689.db2.gz	YNWBONWELXGPNC-LJHOAFOSSA-N	1	0	395.543	5.502	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2ccccc2OC)[C@H](C)CC)o1	ZINC000036167798	518587047	/nfs/dbraw/zinc/58/70/47/518587047.db2.gz	XMSXBDNJFMGMHA-LJQANCHMSA-N	1	0	383.532	5.429	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2cc(OC)cc(OC)c2)C(C)C)o1	ZINC000036203688	518587835	/nfs/dbraw/zinc/58/78/35/518587835.db2.gz	CEKIRSPBTMMZDI-UHFFFAOYSA-N	1	0	399.531	5.047	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2cccc(F)c2)o1	ZINC000036203137	518695957	/nfs/dbraw/zinc/69/59/57/518695957.db2.gz	AJRMBFMASILHQA-UHFFFAOYSA-N	1	0	385.523	5.951	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2ccc(OC)cc2)o1	ZINC000036167693	518696048	/nfs/dbraw/zinc/69/60/48/518696048.db2.gz	YKQZJGLYLSOZGZ-UHFFFAOYSA-N	1	0	397.559	5.820	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2cccs2)[C@@H](C)CC)o1	ZINC000036157172	518698623	/nfs/dbraw/zinc/69/86/23/518698623.db2.gz	CHWQCSQCXZAEEF-IBGZPJMESA-N	1	0	387.589	6.262	50	30		GKEARO
C=CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1	ZINC000035840590	518725104	/nfs/dbraw/zinc/72/51/04/518725104.db2.gz	QOBOXFRWYBHPJF-VWLOTQADSA-N	1	0	398.566	5.385	50	30		GKEARO
CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1	ZINC000017248144	519012524	/nfs/dbraw/zinc/01/25/24/519012524.db2.gz	ISTOPTYNDDJBJS-UHFFFAOYSA-N	1	0	393.938	5.223	50	30		GKEARO
C=CC[n+]1c(/C=C2\Sc3c(cc(C)cc3C)N2CC)ccc2ccc(C)cc21	ZINC000020070367	519121249	/nfs/dbraw/zinc/12/12/49/519121249.db2.gz	YGZDASQRDDEVIQ-UHFFFAOYSA-N	1	0	387.572	6.169	50	30		GKEARO
CC(C)CC[C@@]1(CC/[NH+]=C/c2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1	ZINC000100759183	519688128	/nfs/dbraw/zinc/68/81/28/519688128.db2.gz	HLDDUVJWECTGLW-SNTUZSNZSA-N	1	0	387.608	6.540	50	30	biogenic	GKEARO
CC(C)CC[C@]1(CC/[NH+]=C/c2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1	ZINC000100759181	519696714	/nfs/dbraw/zinc/69/67/14/519696714.db2.gz	HLDDUVJWECTGLW-GENKBWFXSA-N	1	0	387.608	6.540	50	30	biogenic	GKEARO
CCCCCCCCCCCCCCCCN1c2ccccc2N2CC[NH+]=C12	ZINC000008424848	519999495	/nfs/dbraw/zinc/99/94/95/519999495.db2.gz	AKSBSVCZXXYXEQ-UHFFFAOYSA-N	1	0	383.624	7.164	50	30		GKEARO
CCCCCCCCCCCCCCCC[n+]1cccc(C(=O)NCO)c1	ZINC000100442039	520003779	/nfs/dbraw/zinc/00/37/79/520003779.db2.gz	XDTZTKHSNULETL-UHFFFAOYSA-O	1	0	377.593	5.135	50	30		GKEARO
CCCCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1	ZINC000101014269	520006257	/nfs/dbraw/zinc/00/62/57/520006257.db2.gz	YULONOFZPCZSJX-UHFFFAOYSA-O	1	0	389.648	6.080	50	30		GKEARO
CCCCCCCCCCCCCC[C@H](C(=O)Oc1ccccc1)[N+](C)(C)C	ZINC000100657831	520007193	/nfs/dbraw/zinc/00/71/93/520007193.db2.gz	FMEWLYBHUZPELA-XMMPIXPASA-N	1	0	390.632	6.758	50	30		GKEARO
CCCCCCCCCCCC[N+](C)(C)CC(=O)OC/C=C/c1ccccc1	ZINC000102311419	520013336	/nfs/dbraw/zinc/01/33/36/520013336.db2.gz	CRBQYAGSNOERKZ-LVZFUZTISA-N	1	0	388.616	6.240	50	30		GKEARO
CCCCCCCCCCOC(=O)C[N+](C)(C)CCC[C@H](O)c1ccccc1	ZINC000097949433	520020127	/nfs/dbraw/zinc/02/01/27/520020127.db2.gz	TWXLXMCSCXBNKS-QHCPKHFHSA-N	1	0	392.604	5.261	50	30		GKEARO
CCCCCCCCCC[C@@H](C(=O)c1ccc(OC)c(OC)c1)[N+](C)(C)C	ZINC000097950632	520024169	/nfs/dbraw/zinc/02/41/69/520024169.db2.gz	WSBIWGAVHRAABE-FQEVSTJZSA-N	1	0	378.577	5.492	50	30		GKEARO
CCCCCCCOC(=O)C[n+]1c(/C=C/c2ccccc2)sc2ccccc21	ZINC000102296433	520059135	/nfs/dbraw/zinc/05/91/35/520059135.db2.gz	NQVLXVRKHITRSM-WUKNDPDISA-N	1	0	394.560	5.873	50	30		GKEARO
CCCCCCCOc1ccccc1NC(=O)OCC1([NH+](C)C)CCCCC1	ZINC000101011865	520065984	/nfs/dbraw/zinc/06/59/84/520065984.db2.gz	CKXQTUKEYYTWMY-UHFFFAOYSA-N	1	0	390.568	5.849	50	30		GKEARO
CCCCCCC[C@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000033356807	520068495	/nfs/dbraw/zinc/06/84/95/520068495.db2.gz	ZGWKWYBWSAEONU-FTJBHMTQSA-N	1	0	395.587	5.351	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000100716614	523436886	/nfs/dbraw/zinc/43/68/86/523436886.db2.gz	CNGLEPKVVNXFJC-AZDINULQSA-N	1	0	383.507	5.632	50	30		GKEARO
CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@H]21	ZINC000106588389	523607792	/nfs/dbraw/zinc/60/77/92/523607792.db2.gz	RMPGUSXNDYXSIL-WUEDSLEZSA-N	1	0	382.568	5.108	50	30	biogenic	GKEARO
COc1ccccc1OCC[N@H+](C)CCC[C@](C#N)(c1ccccc1C)C(C)C	ZINC000005712028	524671424	/nfs/dbraw/zinc/67/14/24/524671424.db2.gz	BEIFDTVIOMJWGH-RUZDIDTESA-N	1	0	394.559	5.212	50	30		GKEARO
O=C1c2ccccc2C(NC2CC[NH+](Cc3ccccc3)CC2)=C1c1ccccc1	ZINC000101093562	534852421	/nfs/dbraw/zinc/85/24/21/534852421.db2.gz	XISSICHVMIQROT-UHFFFAOYSA-N	1	0	394.518	5.005	50	30		GKEARO
CSc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019867359	525950870	/nfs/dbraw/zinc/95/08/70/525950870.db2.gz	WZCWFYFPLITGMZ-NLRVBDNBSA-N	1	0	399.563	5.130	50	30		GKEARO
Clc1ccc(CNC(Nc2ccccc2)=[NH+]C2CCCCC2)c(Cl)c1	ZINC000005680881	526944763	/nfs/dbraw/zinc/94/47/63/526944763.db2.gz	RTUICAUJASLKTP-UHFFFAOYSA-N	1	0	376.331	5.693	50	30		GKEARO
O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccc(C2CCCCC2)cc1	ZINC000013786943	527193897	/nfs/dbraw/zinc/19/38/97/527193897.db2.gz	UVTQZGQWCQCZPF-UHFFFAOYSA-N	1	0	385.531	5.319	50	30		GKEARO
C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C	ZINC000011839485	570234256	/nfs/dbraw/zinc/23/42/56/570234256.db2.gz	QCAYUTYWIQWABM-UKRRQHHQSA-N	1	0	386.879	5.127	50	30		GKEARO
C=CCCCCCCCCC(=O)OCC[N+](C)(C)CCCCCCCCC	ZINC000101012068	570280547	/nfs/dbraw/zinc/28/05/47/570280547.db2.gz	PNLJKQNKECWCOH-UHFFFAOYSA-N	1	0	382.653	6.663	50	30		GKEARO
C(/C=C/N(c1ccccc1)c1ccccc1)=[N+](c1ccccc1)c1ccccc1	ZINC000002380651	570285017	/nfs/dbraw/zinc/28/50/17/570285017.db2.gz	AXEAYSGJVLEVER-UHFFFAOYSA-N	1	0	375.495	6.944	50	30		GKEARO
Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1	ZINC000005018314	570424346	/nfs/dbraw/zinc/42/43/46/570424346.db2.gz	KXZPXLJMPAZPLV-UHFFFAOYSA-N	1	0	389.281	5.387	50	30		GKEARO
CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000035841007	570463271	/nfs/dbraw/zinc/46/32/71/570463271.db2.gz	UQFRZBNIGCXMTI-UHFFFAOYSA-N	1	0	389.518	5.595	50	30		GKEARO
CN(C)c1ccc(C=Cc2cc(-c3cccs3)[o+]c(-c3cccs3)c2)cc1	ZINC000685944671	570675941	/nfs/dbraw/zinc/67/59/41/570675941.db2.gz	ZQJKOKCNVYFHQC-BQYQJAHWSA-N	1	0	390.553	5.491	50	30		GKEARO
O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)c1ccc(Cl)cc1	ZINC000063598822	570750357	/nfs/dbraw/zinc/75/03/57/570750357.db2.gz	PXSDMWHAUNLEMV-HDICACEKSA-N	1	0	388.920	5.131	50	30		GKEARO
O[C@@]1(C#Cc2ccccc2)CCCC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000536558961	570794257	/nfs/dbraw/zinc/79/42/57/570794257.db2.gz	COGOEGRZUYRGTM-WUFINQPMSA-N	1	0	395.546	5.414	50	30		GKEARO
N#C[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1	ZINC000072410019	570881472	/nfs/dbraw/zinc/88/14/72/570881472.db2.gz	LBHMEBQZXWGNOZ-HXUWFJFHSA-N	1	0	396.494	5.080	50	30		GKEARO
CCc1[nH+]c2c(c3[nH]c4ccccc4c31)C(=NN(C)c1ccccc1)CC(C)(C)C2	ZINC000004729269	570884296	/nfs/dbraw/zinc/88/42/96/570884296.db2.gz	KNCILEJIUQQFKO-QUPMIFSKSA-N	1	0	396.538	6.091	50	30	biogenic	GKEARO
CCCCOc1ccc(C(=O)C=CNc2cccc(C[NH+]3CCCC3)c2)cc1	ZINC000044842983	570979815	/nfs/dbraw/zinc/97/98/15/570979815.db2.gz	JRTNVFNCWZKPEV-BUHFOSPRSA-N	1	0	378.516	5.270	50	30		GKEARO
CC1(C)CC(=NOC(=O)N2c3ccccc3CCc3ccccc32)CC(C)(C)[NH2+]1	ZINC000000755491	212179382	/nfs/dbraw/zinc/17/93/82/212179382.db2.gz	HWVWAYUZJJZIPB-UHFFFAOYSA-N	1	0	391.515	5.357	50	30		GKEARO
C=CCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C	ZINC000005101754	212080131	/nfs/dbraw/zinc/08/01/31/212080131.db2.gz	AUYAXWJFEBJXAN-PBFVBANWSA-N	1	0	390.354	5.958	50	30		GKEARO
Cc1ccc[n+](C(C(=O)c2cccs2)C(=S)Nc2cc(C)cc(C)c2)c1	ZINC000007611303	204243535	/nfs/dbraw/zinc/24/35/35/204243535.db2.gz	FDJJRPPZGCROLE-UHFFFAOYSA-O	1	0	381.546	5.012	50	30		GKEARO
Cc1ccc(NC(=S)N(Cc2ccco2)C2CC[NH+](C(C)C)CC2)c(C)c1	ZINC000008683042	204283124	/nfs/dbraw/zinc/28/31/24/204283124.db2.gz	ABYWVBKKTVLYIN-UHFFFAOYSA-N	1	0	385.577	5.189	50	30		GKEARO
CCCCCCCCC#CC[N+]1(CCCCCCCCCC)CCCCC1	ZINC000008457055	204276697	/nfs/dbraw/zinc/27/66/97/204276697.db2.gz	NFKWGJXCDOYMTF-UHFFFAOYSA-N	1	0	376.693	7.882	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)cc1	ZINC000003999263	211525513	/nfs/dbraw/zinc/52/55/13/211525513.db2.gz	FMZIMLQQWZOBBT-LIMMBSDMSA-N	1	0	378.560	5.380	50	30	biogenic	GKEARO
C=CCCCCCCCCC(=O)NCC[N+](C)(C)CCCCCCCCC	ZINC000101012086	211394285	/nfs/dbraw/zinc/39/42/85/211394285.db2.gz	BAHHVHFRUMKVNO-UHFFFAOYSA-O	1	0	381.669	6.236	50	30		GKEARO
FC(F)(F)c1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1	ZINC000019879377	207168349	/nfs/dbraw/zinc/16/83/49/207168349.db2.gz	OKGKQJOOJQIORW-JVWAILMASA-N	1	0	397.444	5.010	50	30		GKEARO
Cc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[N@H+](C)CC3)c1	ZINC000019852719	210303072	/nfs/dbraw/zinc/30/30/72/210303072.db2.gz	QCENJIAYKQQEPC-UHFFFAOYSA-N	1	0	391.565	5.270	50	30		GKEARO
CC[NH+](CC)CCC[C@H](C)Nc1c(C#N)c(SC)nc2cc(Cl)ccc21	ZINC000214080792	208815478	/nfs/dbraw/zinc/81/54/78/208815478.db2.gz	QZLYWPGQQOQECT-AWEZNQCLSA-N	1	0	390.984	5.404	50	30		GKEARO
C/C(=N\N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc(Cl)cc1	ZINC000020064654	518458586	/nfs/dbraw/zinc/45/85/86/518458586.db2.gz	WJQWUABZIOVRBY-XIEYBQDHSA-N	1	0	377.919	5.035	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2cccc(OC)c2)o1	ZINC000036203419	518696269	/nfs/dbraw/zinc/69/62/69/518696269.db2.gz	QVGXMTNBRSAZIX-UHFFFAOYSA-N	1	0	397.559	5.820	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2ccc(C)cc2)C(C)C)o1	ZINC000036202800	518696348	/nfs/dbraw/zinc/69/63/48/518696348.db2.gz	AJDLRAPKWLTLQR-UHFFFAOYSA-N	1	0	381.560	6.119	50	30		GKEARO
C=CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1	ZINC000035843746	518787651	/nfs/dbraw/zinc/78/76/51/518787651.db2.gz	JYAMZDQEEBCAOP-UHFFFAOYSA-N	1	0	390.546	6.161	50	30		GKEARO
CCC1([C@](O)(C#CC[N@H+](Cc2ccccc2)C(C)C)c2ccccc2)CCCC1	ZINC000057234781	519847619	/nfs/dbraw/zinc/84/76/19/519847619.db2.gz	MSKSHBGXNMDJDX-MHZLTWQESA-N	1	0	389.583	5.759	50	30		GKEARO
CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CC)CC	ZINC000100066655	519993268	/nfs/dbraw/zinc/99/32/68/519993268.db2.gz	KKBOOQDFOWZSDC-UHFFFAOYSA-N	1	0	382.677	6.706	50	30		GKEARO
CCCCCCCCCCCCCCCCCCC[n+]1ccn(CC(C)=O)c1	ZINC000100700070	519995184	/nfs/dbraw/zinc/99/51/84/519995184.db2.gz	JEHLUEWUPRIZPD-UHFFFAOYSA-N	1	0	391.664	7.016	50	30		GKEARO
CCCCCCCCCCCCCCCCCCSC1=[NH+]CCCN1C	ZINC000102596756	519997685	/nfs/dbraw/zinc/99/76/85/519997685.db2.gz	NJZRRKHTWJGZEZ-UHFFFAOYSA-N	1	0	382.702	7.673	50	30		GKEARO
CCCCCCCCCCCCCCCCN1c2ccccc2N2CCC[NH+]=C12	ZINC000008424778	519999715	/nfs/dbraw/zinc/99/97/15/519999715.db2.gz	MWLSLHMBTORCGP-UHFFFAOYSA-N	1	0	397.651	7.554	50	30		GKEARO
CCCCCCCCCCCCCCCCOc1c(C[NH3+])ccc2ccccc21	ZINC000100815680	520001118	/nfs/dbraw/zinc/00/11/18/520001118.db2.gz	KMCIAUILGHHZIC-UHFFFAOYSA-N	1	0	397.647	8.159	50	30		GKEARO
CCCCCCCCCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21	ZINC000100702353	520003159	/nfs/dbraw/zinc/00/31/59/520003159.db2.gz	JFWSDVNFVSKUIQ-UHFFFAOYSA-N	1	0	384.672	8.564	50	30		GKEARO
CCCCCCCCCCOCn1c2ccccc2n(Cc2ccccc2)c1=[NH2+]	ZINC000100465086	520021289	/nfs/dbraw/zinc/02/12/89/520021289.db2.gz	RFWVEYRHQMPXMM-UHFFFAOYSA-N	1	0	393.575	6.085	50	30		GKEARO
CCCCCCCCCCOCC[NH2+]CCOCCCCCCCCCC	ZINC000103007237	520022300	/nfs/dbraw/zinc/02/23/00/520022300.db2.gz	CSWVPVMRPUKBGP-UHFFFAOYSA-N	1	0	385.677	6.891	50	30		GKEARO
CCCCCCCCCC[C@H](C(=O)Oc1ccc(OC)cc1)[n+]1ccccc1	ZINC000100657922	520025891	/nfs/dbraw/zinc/02/58/91/520025891.db2.gz	OZCNHIHOMSVCNJ-HSZRJFAPSA-N	1	0	384.540	5.660	50	30		GKEARO
CCCCCCCCCC[N+](C)(C)CCOCCOC(=O)c1ccccc1	ZINC000101012330	520026345	/nfs/dbraw/zinc/02/63/45/520026345.db2.gz	FJAKCTFQCXITND-UHFFFAOYSA-N	1	0	378.577	5.077	50	30		GKEARO
CCCCCCC[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000033356804	520068626	/nfs/dbraw/zinc/06/86/26/520068626.db2.gz	ZGWKWYBWSAEONU-UIOOFZCWSA-N	1	0	395.587	5.351	50	30		GKEARO
CCCCCCCc1ccc(N[N+](=O)c2ccc(CCCCCCC)cc2)cc1	ZINC000100225293	520070259	/nfs/dbraw/zinc/07/02/59/520070259.db2.gz	QGBNLWGTPRDGLR-DQSJHHFOSA-N	1	0	394.603	8.638	50	30		GKEARO
Clc1cccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000020100634	526974856	/nfs/dbraw/zinc/97/48/56/526974856.db2.gz	GORNMBXMXPKLFZ-YZSQISJMSA-N	1	0	387.914	5.062	50	30		GKEARO
CN(C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1c(F)cccc1Cl	ZINC000022912763	570333572	/nfs/dbraw/zinc/33/35/72/570333572.db2.gz	UWAFIJSXKYTOEJ-STDCAVTESA-N	1	0	399.941	5.076	50	30		GKEARO
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC[NH+]1CCCCC1	ZINC000002051504	570500630	/nfs/dbraw/zinc/50/06/30/570500630.db2.gz	WBRXQKOQNPLIRI-UHFFFAOYSA-N	1	0	399.563	5.865	50	30		GKEARO
CCCCCCCCCCCCOCN1c2cc(C)c(C)cc2N2CC[NH+]=C12	ZINC000008386673	570530670	/nfs/dbraw/zinc/53/06/70/570530670.db2.gz	FIAWJVOXBPIUEP-UHFFFAOYSA-N	1	0	385.596	6.194	50	30		GKEARO
CCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1	ZINC000008417354	570531408	/nfs/dbraw/zinc/53/14/08/570531408.db2.gz	HJDWBLAETOTRKA-UHFFFAOYSA-N	1	0	393.639	7.131	50	30		GKEARO
CCCCCCCCCCCCCCCCn1c2c(c(=[NH2+])c3c1CCC3)CCC2	ZINC000008440072	570532114	/nfs/dbraw/zinc/53/21/14/570532114.db2.gz	FDOMJCGNPSFNCV-UHFFFAOYSA-N	1	0	398.679	7.426	50	30		GKEARO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCCOC)Cc2ccc(C)s2)o1	ZINC000036154592	570553177	/nfs/dbraw/zinc/55/31/77/570553177.db2.gz	GCLZJCXWCAEDIW-UHFFFAOYSA-N	1	0	389.561	5.028	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCC)Cc2ccc(OC)c(OC)c2)o1	ZINC000036156217	570553509	/nfs/dbraw/zinc/55/35/09/570553509.db2.gz	LCCDPJLGHFTFHV-UHFFFAOYSA-N	1	0	399.531	5.049	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000005377639	570569592	/nfs/dbraw/zinc/56/95/92/570569592.db2.gz	WLIRZHQCAMPRQX-VFXQFALTSA-N	1	0	392.587	5.626	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000005425101	570589170	/nfs/dbraw/zinc/58/91/70/570589170.db2.gz	YNWBONWELXGPNC-JCTTVDHDSA-N	1	0	395.543	5.502	50	30		GKEARO
CC[n+]1c(/C=C/c2cc(C#N)n3c4ccccc4sc23)sc2ccccc21	ZINC000685944618	570675731	/nfs/dbraw/zinc/67/57/31/570675731.db2.gz	XTJNHNCCOXCJLL-UHFFFAOYSA-N	1	0	386.525	5.718	50	30		GKEARO
ClC(/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)=C/c1ccccc1	ZINC000013617479	570763295	/nfs/dbraw/zinc/76/32/95/570763295.db2.gz	UDYPPZIJZOYFEZ-KWCUAYMTSA-N	1	0	389.930	5.223	50	30		GKEARO
COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1C[NH+]1CCCC1	ZINC000013096672	570821747	/nfs/dbraw/zinc/82/17/47/570821747.db2.gz	XRNHTQQOHSELDI-VQHVLOKHSA-N	1	0	390.310	5.494	50	30		GKEARO
COc1ccc2cc(C[NH+]3CCC(C#N)CC3)c(-c3ccc(Cl)cc3)nc2c1	ZINC000072429789	570881779	/nfs/dbraw/zinc/88/17/79/570881779.db2.gz	IQKGXHNDXXCMJY-UHFFFAOYSA-N	1	0	391.902	5.299	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1	ZINC000004027011	570907551	/nfs/dbraw/zinc/90/75/51/570907551.db2.gz	WUVVKZOGORTHGC-UAUYQVLSSA-N	1	0	395.543	5.502	50	30	biogenic	GKEARO
Cc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2ccc(C#N)cc2)c1	ZINC000004798907	570994157	/nfs/dbraw/zinc/99/41/57/570994157.db2.gz	YVPYFGQJJWQSCF-UHFFFAOYSA-N	1	0	385.555	5.765	50	30		GKEARO
Clc1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682389	571028193	/nfs/dbraw/zinc/02/81/93/571028193.db2.gz	FAPKWGFGBLBQRP-YZSQISJMSA-N	1	0	387.914	5.062	50	30		GKEARO
CC(/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1	ZINC000019682397	571028212	/nfs/dbraw/zinc/02/82/12/571028212.db2.gz	CUYZFUYCEZRIGY-QGFLBYHTSA-N	1	0	393.534	5.463	50	30		GKEARO
C=CCN1c2ccc(OC)cc2S/C1=C/c1ccc2cc(C)ccc2[n+]1CC	ZINC000003656613	212077665	/nfs/dbraw/zinc/07/76/65/212077665.db2.gz	FHJUZNAHHGGPGQ-UHFFFAOYSA-N	1	0	389.544	5.561	50	30		GKEARO
CC[C@@H](C)c1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)cc1	ZINC000006319429	204174432	/nfs/dbraw/zinc/17/44/32/204174432.db2.gz	GHRGFAPEVRHQNY-GOSISDBHSA-O	1	0	389.544	5.539	50	30		GKEARO
Cc1ccccc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1ccco1	ZINC000008690795	204283862	/nfs/dbraw/zinc/28/38/62/204283862.db2.gz	YTAGALWNWAHCCC-UHFFFAOYSA-N	1	0	385.577	5.130	50	30		GKEARO
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000032624757	206090304	/nfs/dbraw/zinc/09/03/04/206090304.db2.gz	INGZDDJORYCRCL-GCJKJVERSA-N	1	0	386.499	5.043	50	30		GKEARO
N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000027994417	207332890	/nfs/dbraw/zinc/33/28/90/207332890.db2.gz	UVRSOPLOKVOQRC-GOSISDBHSA-N	1	0	396.878	5.099	50	30		GKEARO
C[NH+](C)[C@H](CNc1oc(-c2cccc3ccccc32)nc1C#N)c1ccccc1	ZINC000027991210	207333515	/nfs/dbraw/zinc/33/35/15/207333515.db2.gz	CJUBMZMTPXBZHA-JOCHJYFZSA-N	1	0	382.467	5.081	50	30		GKEARO
N#Cc1ccc(COCC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000077191698	222275932	/nfs/dbraw/zinc/27/59/32/222275932.db2.gz	RZRMRJPFWZGMIZ-UHFFFAOYSA-N	1	0	388.433	5.006	50	30		GKEARO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCC)Cc2cc(OC)cc(OC)c2)o1	ZINC000036167631	518687217	/nfs/dbraw/zinc/68/72/17/518687217.db2.gz	RUQYUAFVJOKXEB-UHFFFAOYSA-N	1	0	399.531	5.049	50	30		GKEARO
C=CCCCCCCCCC(=O)OCC[N+](C)(C)CCCCCCCCCC	ZINC000059044824	518700969	/nfs/dbraw/zinc/70/09/69/518700969.db2.gz	FKBQCIRHTDBUKY-UHFFFAOYSA-N	1	0	396.680	7.054	50	30		GKEARO
C=CCC[C@H](O)C[N@@H+](CC=C)Cc1cccn1Cc1ccc(C(C)(C)C)cc1	ZINC000035840742	518722981	/nfs/dbraw/zinc/72/29/81/518722981.db2.gz	MJBOLSJCYUVEPZ-DEOSSOPVSA-N	1	0	380.576	5.149	50	30		GKEARO
CC(C)(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1	ZINC000003002582	519047544	/nfs/dbraw/zinc/04/75/44/519047544.db2.gz	IKAVVXCFMMZPDO-UHFFFAOYSA-N	1	0	390.572	5.489	50	30		GKEARO
CCCCCCCC/C=C\CCCCCCCC(=O)NCC[NH+](CC)CC	ZINC000097950140	519969576	/nfs/dbraw/zinc/96/95/76/519969576.db2.gz	WCSBDRIEINNXNW-YPKPFQOOSA-N	1	0	380.661	6.482	50	30		GKEARO
CCCCCCCCC(=O)O[C@H](COCc1ccccc1)C[NH+](CC)CC	ZINC000100709306	519974008	/nfs/dbraw/zinc/97/40/08/519974008.db2.gz	BXXFJVPQOJZQEU-QFIPXVFZSA-N	1	0	377.569	5.207	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1	ZINC000038158624	519997323	/nfs/dbraw/zinc/99/73/23/519997323.db2.gz	FWLORMQUOWCQPO-UHFFFAOYSA-N	1	0	388.704	8.525	50	30	in-vitro	GKEARO
CCCCCCCCCCCCCCCC[NH2+]Cc1cccc(OC(C)C)c1	ZINC000100023707	519998057	/nfs/dbraw/zinc/99/80/57/519998057.db2.gz	VHONFOJLJLCJGK-UHFFFAOYSA-N	1	0	389.668	8.045	50	30		GKEARO
CCCCCCCCCCCCCC[C@@H](C(=O)Oc1ccccc1)[N+](C)(C)C	ZINC000100657833	520007017	/nfs/dbraw/zinc/00/70/17/520007017.db2.gz	FMEWLYBHUZPELA-DEOSSOPVSA-N	1	0	390.632	6.758	50	30		GKEARO
CCCCCCCCCCCC[NH2+][C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000097995530	520011480	/nfs/dbraw/zinc/01/14/80/520011480.db2.gz	NIVVQHMBAQAJCU-FQEVSTJZSA-N	1	0	392.971	5.482	50	30		GKEARO
CCCCCCCCCCCCSC(=[NH2+])NCCc1ccc(OC)cc1	ZINC000100167393	520013872	/nfs/dbraw/zinc/01/38/72/520013872.db2.gz	UYPHESPLJOLCTF-UHFFFAOYSA-N	1	0	378.626	6.416	50	30		GKEARO
CCCCCCCCCCOC(=O)C[N+](C)(C)CCC[C@@H](O)c1ccccc1	ZINC000097949434	520019435	/nfs/dbraw/zinc/01/94/35/520019435.db2.gz	TWXLXMCSCXBNKS-HSZRJFAPSA-N	1	0	392.604	5.261	50	30		GKEARO
CCCCCCCCC[NH+](CCCCCCCCC)CCCCCCCCC	ZINC000100011796	520027825	/nfs/dbraw/zinc/02/78/25/520027825.db2.gz	ZQJAONQEOXOVNR-UHFFFAOYSA-N	1	0	395.760	9.540	50	30		GKEARO
CCCCCCC[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000033356809	520068656	/nfs/dbraw/zinc/06/86/56/520068656.db2.gz	ZGWKWYBWSAEONU-CLJLJLNGSA-N	1	0	395.587	5.351	50	30		GKEARO
C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCc2ccccc21	ZINC000082068214	522403478	/nfs/dbraw/zinc/40/34/78/522403478.db2.gz	XQHREBADPHVERH-GOSISDBHSA-N	1	0	396.840	5.956	50	30		GKEARO
C[N@H+](CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1	ZINC000012658984	522417597	/nfs/dbraw/zinc/41/75/97/522417597.db2.gz	VSJACZVSLVSJHV-KTIWRFAQSA-N	1	0	389.539	5.219	50	30	biogenic	GKEARO
Cc1cccc(C(=NC(=S)Nc2ccc(Cl)c(Cl)c2)N[N+](C)(C)C)c1	ZINC000012367405	524159340	/nfs/dbraw/zinc/15/93/40/524159340.db2.gz	DPQQIGBJVDMVBB-UHFFFAOYSA-O	1	0	396.367	5.068	50	30		GKEARO
Cc1ccccc1[C@](C#N)(CCC[NH+]1CCN(Cc2ccccc2)CC1)C(C)C	ZINC000022862077	525448851	/nfs/dbraw/zinc/44/88/51/525448851.db2.gz	BRHRMMVVOGSIJY-SANMLTNESA-N	1	0	389.587	5.010	50	30		GKEARO
Cc1ccc(-c2c[n+](CC(=O)c3ccc(C4CCCCC4)cc3)c3n2CCC3)cc1	ZINC000013770120	525712374	/nfs/dbraw/zinc/71/23/74/525712374.db2.gz	RTUHEFFNXKQTLQ-UHFFFAOYSA-N	1	0	399.558	5.628	50	30		GKEARO
CSc1ccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000012371903	525950890	/nfs/dbraw/zinc/95/08/90/525950890.db2.gz	WZCWFYFPLITGMZ-ITYLOYPMSA-N	1	0	399.563	5.130	50	30		GKEARO
Clc1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1Cl	ZINC000019773325	526938701	/nfs/dbraw/zinc/93/87/01/526938701.db2.gz	WPNYFRYAGLBHFJ-MFKUBSTISA-N	1	0	398.337	5.298	50	30		GKEARO
O=C1C=C2CC[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2S1	ZINC000071186566	526959696	/nfs/dbraw/zinc/95/96/96/526959696.db2.gz	KIURFOBHIAJEED-DEOSSOPVSA-N	1	0	397.543	5.253	50	30		GKEARO
O=C(C[n+]1ccc(-c2cccc3ccccc32)nc1)c1ccc2ccccc2c1	ZINC000006342678	527195287	/nfs/dbraw/zinc/19/52/87/527195287.db2.gz	AEJKHKHIOFMILM-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
FC(F)(F)c1ccccc1/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000019773216	527686771	/nfs/dbraw/zinc/68/67/71/527686771.db2.gz	GVKUGPCEFUYALX-JVWAILMASA-N	1	0	397.444	5.010	50	30		GKEARO
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000004618458	560198681	/nfs/dbraw/zinc/19/86/81/560198681.db2.gz	XOEFQGQIXMPRIN-ASPMUGLBSA-N	1	0	398.506	5.029	50	30	biogenic,in-vitro	GKEARO
Cc1ccccc1CSc1nc2c(c(-c3ccsc3)c1C#N)C[N@H+](C)CC2	ZINC000035238029	570276796	/nfs/dbraw/zinc/27/67/96/570276796.db2.gz	GBHJUVUFYFHBOQ-UHFFFAOYSA-N	1	0	391.565	5.270	50	30		GKEARO
O=C1C=C2C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2S1	ZINC000022066873	570304347	/nfs/dbraw/zinc/30/43/47/570304347.db2.gz	QWWKINCXTMBNIV-XMMPIXPASA-N	1	0	397.543	5.253	50	30	in-vitro	GKEARO
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCC[NH+](CC)CC	ZINC000004900672	570359455	/nfs/dbraw/zinc/35/94/55/570359455.db2.gz	JFFYHWZCOUKWIM-UHFFFAOYSA-N	1	0	391.563	5.154	50	30		GKEARO
CC(C)C[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000035840990	570463325	/nfs/dbraw/zinc/46/33/25/570463325.db2.gz	BCRZSWWFIXIQCI-UHFFFAOYSA-N	1	0	375.491	5.205	50	30		GKEARO
CC(C)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000035841013	570463396	/nfs/dbraw/zinc/46/33/96/570463396.db2.gz	QRGGGHZEKCHDIU-HXUWFJFHSA-N	1	0	389.518	5.594	50	30		GKEARO
C=CC[NH+](CC=C)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1ccccc1C	ZINC000005182766	570496715	/nfs/dbraw/zinc/49/67/15/570496715.db2.gz	AYZRRYAALQGXSE-UHFFFAOYSA-N	1	0	390.483	5.182	50	30		GKEARO
CC[C@H](C)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000008682749	570537173	/nfs/dbraw/zinc/53/71/73/570537173.db2.gz	IHLQVRGYCNKFET-SFHVURJKSA-N	1	0	381.589	5.562	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccc(OC)cc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000005425134	570589180	/nfs/dbraw/zinc/58/91/80/570589180.db2.gz	YNWBONWELXGPNC-DDAJKSLGSA-N	1	0	395.543	5.502	50	30		GKEARO
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC	ZINC000060038927	570740437	/nfs/dbraw/zinc/74/04/37/570740437.db2.gz	YCBRTSYWJMECAH-UHFFFAOYSA-N	1	0	399.708	10.105	50	30		GKEARO
C[N@H+](CC#C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1	ZINC000004027752	570907452	/nfs/dbraw/zinc/90/74/52/570907452.db2.gz	VSJACZVSLVSJHV-QIGHUWCUSA-N	1	0	389.539	5.219	50	30	biogenic	GKEARO
CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21	ZINC000106588387	570966081	/nfs/dbraw/zinc/96/60/81/570966081.db2.gz	RMPGUSXNDYXSIL-CGBRIMPHSA-N	1	0	382.568	5.108	50	30	biogenic	GKEARO
C=CC[N@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2ccccc2OCC)C1	ZINC000065374764	571000244	/nfs/dbraw/zinc/00/02/44/571000244.db2.gz	XPEOKIAFGFWFCO-FQEVSTJZSA-N	1	0	387.527	5.124	50	30		GKEARO
Clc1ccccc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682394	571028258	/nfs/dbraw/zinc/02/82/58/571028258.db2.gz	MJISSXIFFMUCTA-YZSQISJMSA-N	1	0	387.914	5.062	50	30		GKEARO
CC1(C)Cc2c(C#N)c(NC(=O)c3ccc4ccccc4c3)sc2C(C)(C)[NH2+]1	ZINC000004275311	571040828	/nfs/dbraw/zinc/04/08/28/571040828.db2.gz	FYTOKHZWVMOLJA-UHFFFAOYSA-N	1	0	389.524	5.185	50	30		GKEARO
CN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc[nH+]cc1-c1cccnc1	ZINC000328592595	529852858	/nfs/dbraw/zinc/85/28/58/529852858.db2.gz	MDYBZTZMPILBAW-UHFFFAOYSA-N	1	0	387.270	5.175	50	30		GKEARO
CC1(C)CC(=NOC(=O)N2c3ccccc3C=Cc3ccccc32)CC(C)(C)[NH2+]1	ZINC000000755490	212180117	/nfs/dbraw/zinc/18/01/17/212180117.db2.gz	IMXFWMAWLZNDKW-UHFFFAOYSA-N	1	0	389.499	5.742	50	30		GKEARO
C=CC[N@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C	ZINC000004794315	212080272	/nfs/dbraw/zinc/08/02/72/212080272.db2.gz	BJBYYKWAEBDHMM-UHFFFAOYSA-N	1	0	398.472	6.052	50	30		GKEARO
N#Cc1c(SCC[NH+]2CCCCC2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000005078050	204109965	/nfs/dbraw/zinc/10/99/65/204109965.db2.gz	HGXUCHZWGWJZCI-UHFFFAOYSA-N	1	0	397.491	5.279	50	30		GKEARO
CCC[N+](CC#Cc1ccccc1)(CC#Cc1cccc2ccccc12)CCC	ZINC000001810836	206248211	/nfs/dbraw/zinc/24/82/11/206248211.db2.gz	GAXABDFCNUIAOM-UHFFFAOYSA-N	1	0	380.555	5.880	50	30		GKEARO
C(#CC[N+]1(Cc2ccccc2)CCCCC1)CC(c1ccccc1)c1ccccc1	ZINC000001791686	206248530	/nfs/dbraw/zinc/24/85/30/206248530.db2.gz	XMENFJQSPATBIB-UHFFFAOYSA-N	1	0	394.582	6.413	50	30		GKEARO
C1=C/C(=[NH+]\C2CCCCC2)C=C2C1=N[C@]13CCCC[C@@H]1CC1=C(CCCC1)N23	ZINC000100668400	211387927	/nfs/dbraw/zinc/38/79/27/211387927.db2.gz	SVPQRBCSONEAHF-LOUJSXQKSA-N	1	0	375.560	6.089	50	30		GKEARO
C[NH+](C)[C@H](CNc1oc(-c2cccs2)nc1C#N)c1ccc(C(C)(C)C)cc1	ZINC000096346217	211336082	/nfs/dbraw/zinc/33/60/82/211336082.db2.gz	VEMFCJKFYQKBPT-GOSISDBHSA-N	1	0	394.544	5.287	50	30		GKEARO
C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000013865538	207002986	/nfs/dbraw/zinc/00/29/86/207002986.db2.gz	NTBJIIGZSCRTDA-DYVFJYSZSA-N	1	0	379.982	5.325	50	30		GKEARO
O=C(c1ccc2ccccc2c1)C(C(=S)Nc1ccccc1)[n+]1ccccc1	ZINC000003261666	220617505	/nfs/dbraw/zinc/61/75/05/220617505.db2.gz	CIBOBRUCFVLZGF-UHFFFAOYSA-O	1	0	383.496	5.178	50	30		GKEARO
O=C(c1cccs1)C(C(=S)Nc1cccc2ccccc21)[n+]1ccccc1	ZINC000005156441	220837903	/nfs/dbraw/zinc/83/79/03/220837903.db2.gz	OZEFAMBSYYPBJZ-UHFFFAOYSA-O	1	0	389.525	5.240	50	30		GKEARO
COc1ccc([C@]2(CC/[NH+]=C\c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1	ZINC000100340672	533211025	/nfs/dbraw/zinc/21/10/25/533211025.db2.gz	FIVMSMFFNOEBKL-RMMRYSJTSA-N	1	0	394.559	5.097	50	30		GKEARO
Cc1ccc(NC(=S)C(C(=O)c2ccc(Cl)s2)[n+]2ccccc2)cc1	ZINC000007611377	221003837	/nfs/dbraw/zinc/00/38/37/221003837.db2.gz	IGCXWAXZJWDXKR-UHFFFAOYSA-O	1	0	387.937	5.048	50	30		GKEARO
CSC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000328593771	533764277	/nfs/dbraw/zinc/76/42/77/533764277.db2.gz	GZXJBBXFVZOULG-GMAHTHKFSA-N	1	0	396.600	5.392	50	30		GKEARO
C/C(=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc2ccccc2c1	ZINC000020103415	518449731	/nfs/dbraw/zinc/44/97/31/518449731.db2.gz	VRJUIKWCIPCTJR-HFTWOUSFSA-N	1	0	393.534	5.535	50	30		GKEARO
C/C(=N\N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccc2ccccc21	ZINC000025782145	518458842	/nfs/dbraw/zinc/45/88/42/518458842.db2.gz	HBXSSTCLTDYULX-SGWCAAJKSA-N	1	0	393.534	5.535	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2ccccc2C)C[C@H]2CCCO2)o1	ZINC000036203232	518587492	/nfs/dbraw/zinc/58/74/92/518587492.db2.gz	DQUIIVKBPMEPCK-JOCHJYFZSA-N	1	0	395.543	5.109	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2ccccc2OC)[C@@H](C)CC)o1	ZINC000036167801	518587626	/nfs/dbraw/zinc/58/76/26/518587626.db2.gz	XMSXBDNJFMGMHA-IBGZPJMESA-N	1	0	383.532	5.429	50	30		GKEARO
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccccc2OC)CC(C)C)o1	ZINC000036167820	518688986	/nfs/dbraw/zinc/68/89/86/518688986.db2.gz	XVGLBSHPWXLOLW-UHFFFAOYSA-N	1	0	383.532	5.286	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](Cc2ccc(C)cc2)C2CC2)o1	ZINC000036202819	518696116	/nfs/dbraw/zinc/69/61/16/518696116.db2.gz	DZULZRCCYLWJPV-UHFFFAOYSA-N	1	0	379.544	5.873	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2ccc(C)cc2)o1	ZINC000036202861	518696369	/nfs/dbraw/zinc/69/63/69/518696369.db2.gz	QHEMMKCYACDHHD-UHFFFAOYSA-N	1	0	381.560	6.120	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2ccccc2OC)o1	ZINC000036167853	518697185	/nfs/dbraw/zinc/69/71/85/518697185.db2.gz	AKSIZAMLXZQYPP-UHFFFAOYSA-N	1	0	397.559	5.820	50	30		GKEARO
C=CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1	ZINC000035840591	518717487	/nfs/dbraw/zinc/71/74/87/518717487.db2.gz	QOBOXFRWYBHPJF-RUZDIDTESA-N	1	0	398.566	5.385	50	30		GKEARO
C=CCc1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c(O)c(OC)c1	ZINC000012811088	519129594	/nfs/dbraw/zinc/12/95/94/519129594.db2.gz	GNMGOONNWFDLRU-UHFFFAOYSA-N	1	0	394.540	5.119	50	30		GKEARO
CC(C)[N@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1	ZINC000055468439	519635104	/nfs/dbraw/zinc/63/51/04/519635104.db2.gz	NXYBZHKOCPVJPI-UHFFFAOYSA-N	1	0	383.535	5.227	50	30		GKEARO
CCCCCCCC/C=C/CCCCCCCC(=O)NCC[NH+](CC)CC	ZINC000100008379	519969170	/nfs/dbraw/zinc/96/91/70/519969170.db2.gz	WCSBDRIEINNXNW-BUHFOSPRSA-N	1	0	380.661	6.482	50	30		GKEARO
CCCCCCCCC(=O)O[C@@H](COCc1ccccc1)C[NH+](CC)CC	ZINC000100709308	519972485	/nfs/dbraw/zinc/97/24/85/519972485.db2.gz	BXXFJVPQOJZQEU-JOCHJYFZSA-N	1	0	377.569	5.207	50	30		GKEARO
CCCCCCCCCCCCCCCCCC/[NH+]=C/c1ccc(Cl)cc1	ZINC000097962648	519993055	/nfs/dbraw/zinc/99/30/55/519993055.db2.gz	FIAFNSWGTDAZQL-SLEBQGDGSA-N	1	0	392.071	9.020	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000101014534	519994585	/nfs/dbraw/zinc/99/45/85/519994585.db2.gz	LDWKQNZRXXFKDS-HSZRJFAPSA-N	1	0	380.661	6.445	50	30		GKEARO
CCCCCCCCCCCCCCCC[C@H](C(=O)OCC)[n+]1ccccc1	ZINC000100690156	520003986	/nfs/dbraw/zinc/00/39/86/520003986.db2.gz	XLJYUWRFIMLXMB-XMMPIXPASA-N	1	0	390.632	6.950	50	30		GKEARO
CCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCC	ZINC000059339614	520008283	/nfs/dbraw/zinc/00/82/83/520008283.db2.gz	PZFYOFFTIYJCEW-UHFFFAOYSA-N	1	0	381.733	9.198	50	30		GKEARO
CCCCCCCCCCCC[NH2+][C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000101409834	520009949	/nfs/dbraw/zinc/00/99/49/520009949.db2.gz	NIVVQHMBAQAJCU-HXUWFJFHSA-N	1	0	392.971	5.482	50	30		GKEARO
CCCCCCCCCCCC[N+]1(C)CCN(c2ccc(/C=N/O)cc2)CC1	ZINC000097971819	520013168	/nfs/dbraw/zinc/01/31/68/520013168.db2.gz	RDJSNRJUYRMACV-YYDJUVGSSA-O	1	0	388.620	5.682	50	30		GKEARO
CCCCCCCCCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000097951637	520019628	/nfs/dbraw/zinc/01/96/28/520019628.db2.gz	KYYAPXZJZGMFBS-NRFANRHFSA-N	1	0	380.576	5.886	50	30		GKEARO
CCCCCCCCCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000097951638	520020378	/nfs/dbraw/zinc/02/03/78/520020378.db2.gz	KYYAPXZJZGMFBS-OAQYLSRUSA-N	1	0	380.576	5.886	50	30		GKEARO
CCCCCCCCCOCn1c2ccccc2n(Cc2ccccc2)c1=[NH2+]	ZINC000100729029	520029474	/nfs/dbraw/zinc/02/94/74/520029474.db2.gz	JNRVBXNBANQAIT-UHFFFAOYSA-N	1	0	379.548	5.695	50	30		GKEARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CC4CCCCC4)ccc3n2)CC1	ZINC000020108647	521696368	/nfs/dbraw/zinc/69/63/68/521696368.db2.gz	BJKPAJIARAWNPL-UHFFFAOYSA-N	1	0	394.563	5.244	50	30		GKEARO
CC[C@H]1CS/C(=[NH+]\CCc2ccccc2)N1Cc1ccc(Cl)cc1Cl	ZINC000102887171	523353644	/nfs/dbraw/zinc/35/36/44/523353644.db2.gz	MPPHOPHCOWGVEB-FGLUDEAJSA-N	1	0	393.383	5.920	50	30		GKEARO
Cc1ccccc1[C@](C#N)(CCC[N@H+](C)Cc1ccc(N(C)C)cc1)C(C)C	ZINC000005571334	525448312	/nfs/dbraw/zinc/44/83/12/525448312.db2.gz	MLLGTCLDZBGQAZ-VWLOTQADSA-N	1	0	377.576	5.391	50	30		GKEARO
O=C1C=C2CC[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2S1	ZINC000071186565	526960254	/nfs/dbraw/zinc/96/02/54/526960254.db2.gz	KIURFOBHIAJEED-XMMPIXPASA-N	1	0	397.543	5.253	50	30		GKEARO
O=C(Nc1ccc(Cl)cc1)ON=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000004363450	527180939	/nfs/dbraw/zinc/18/09/39/527180939.db2.gz	XCHWNTBTPUAJKD-OYRHEFFESA-N	1	0	397.906	5.462	50	30		GKEARO
O=C(C[n+]1ccc(CCSc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004947725	527196092	/nfs/dbraw/zinc/19/60/92/527196092.db2.gz	ASFZBPVACKFTOL-UHFFFAOYSA-N	1	0	392.588	5.094	50	30		GKEARO
FC(F)(F)Oc1ccc(NC=CC=[NH+]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000100388074	527675363	/nfs/dbraw/zinc/67/53/63/527675363.db2.gz	HPOQGNPHUPVIGH-SBCOWIJQSA-N	1	0	390.283	5.812	50	30		GKEARO
CN=C(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049772142	570272119	/nfs/dbraw/zinc/27/21/19/570272119.db2.gz	SADFJJGSEJGTAG-UHFFFAOYSA-N	1	0	380.719	5.675	50	30		GKEARO
C=C(C)C[C@@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12	ZINC000019691566	570282808	/nfs/dbraw/zinc/28/28/08/570282808.db2.gz	LQZVTORZIAYQLZ-XEZPLFJOSA-N	1	0	399.170	5.704	50	30		GKEARO
C=C(C)C[C@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1c(Br)ccc(Br)c12	ZINC000019691568	570282928	/nfs/dbraw/zinc/28/29/28/570282928.db2.gz	LQZVTORZIAYQLZ-WWGRRREGSA-N	1	0	399.170	5.704	50	30		GKEARO
CCCCCCCCCCOC(=O)C[N+](C)(C)C1C2CC3CC(C2)CC1C3	ZINC000101507981	570283910	/nfs/dbraw/zinc/28/39/10/570283910.db2.gz	IGVXNZSXWAXMQZ-UHFFFAOYSA-N	1	0	378.621	5.571	50	30		GKEARO
N#Cc1ccccc1-c1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1	ZINC000012907182	570290251	/nfs/dbraw/zinc/29/02/51/570290251.db2.gz	YMFFTIWOPBKKJI-UHFFFAOYSA-N	1	0	393.490	5.746	50	30		GKEARO
Cc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C=C4C[NH+]2CCCCC2)cc1	ZINC000575473295	570320304	/nfs/dbraw/zinc/32/03/04/570320304.db2.gz	UWXVYJZMMHIZAM-SLEBQGDGSA-N	1	0	399.538	5.124	50	30		GKEARO
O=C(C[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21)c1ccccc1	ZINC000003098264	570328446	/nfs/dbraw/zinc/32/84/46/570328446.db2.gz	NNHPMOVRMBDVOL-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
CN(C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1c(F)cccc1Cl	ZINC000022912765	570333630	/nfs/dbraw/zinc/33/36/30/570333630.db2.gz	UWAFIJSXKYTOEJ-JRSYVHTFSA-N	1	0	399.941	5.076	50	30		GKEARO
Cc1sc2ccc3ccccc3c2[n+]1CC(=O)Nc1cccc2ccccc21	ZINC000006588196	570486615	/nfs/dbraw/zinc/48/66/15/570486615.db2.gz	ZUUSAQXLMPIGIJ-UHFFFAOYSA-O	1	0	383.496	5.442	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000005377646	570569634	/nfs/dbraw/zinc/56/96/34/570569634.db2.gz	WLIRZHQCAMPRQX-CEKAKVLFSA-N	1	0	392.587	5.626	50	30		GKEARO
CCCCCCCCC[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000002311597	570589744	/nfs/dbraw/zinc/58/97/44/570589744.db2.gz	BLTOTNMFHMMRNP-UHFFFAOYSA-N	1	0	391.623	7.017	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccc(OC)cc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000005425388	570589849	/nfs/dbraw/zinc/58/98/49/570589849.db2.gz	YNWBONWELXGPNC-IQPXCXLCSA-N	1	0	395.543	5.502	50	30		GKEARO
CCOc1ccc2c(c1)-c1c(ss/c1=[S+]\C)C(C)(C)N2C(=O)C(C)C	ZINC000004904599	570646920	/nfs/dbraw/zinc/64/69/20/570646920.db2.gz	FEGNIVNFFNCHFJ-UHFFFAOYSA-N	1	0	394.607	5.357	50	30		GKEARO
CCCOC(=O)Nc1ccccc1[NH+]=C1CCCC1=Cc1ccc(Cl)cc1	ZINC000102827897	570866416	/nfs/dbraw/zinc/86/64/16/570866416.db2.gz	XWQOGTZBSYDUHU-AWCHSRFUSA-N	1	0	382.891	6.639	50	30		GKEARO
C1=C/C(=[NH+]\C2CCCCC2)C=C2C1=N[C@@]13CCCC[C@H]1CC1=C(CCCC1)N23	ZINC000004728782	570884142	/nfs/dbraw/zinc/88/41/42/570884142.db2.gz	SVPQRBCSONEAHF-YXIOMOKYSA-N	1	0	375.560	6.089	50	30		GKEARO
Cc1cc(C)c(NC(=[NH+]c2c(C)cc(C)cc2C)N(C)Cc2ccccc2)c(C)c1	ZINC000003179240	570955224	/nfs/dbraw/zinc/95/52/24/570955224.db2.gz	MCUKAQJBYKTPTC-UHFFFAOYSA-N	1	0	399.582	6.769	50	30		GKEARO
C(/C=C/c1ccccc1)=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000252429510	570955545	/nfs/dbraw/zinc/95/55/45/570955545.db2.gz	YAGKEZIKQLVODH-NANCSBCPSA-N	1	0	379.507	5.073	50	30		GKEARO
CC(C)c1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000252429382	570955553	/nfs/dbraw/zinc/95/55/53/570955553.db2.gz	JBNAJBGCXOCMFR-UHFFFAOYSA-N	1	0	395.550	5.532	50	30		GKEARO
C(=C/c1ccccc1)\C=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682452	571028280	/nfs/dbraw/zinc/02/82/80/571028280.db2.gz	YAGKEZIKQLVODH-JOARMNLUSA-N	1	0	379.507	5.073	50	30		GKEARO
C=CCN1c2cc(OC)ccc2S/C1=C/c1ccc2cc(C)ccc2[n+]1CC	ZINC000003656615	210208442	/nfs/dbraw/zinc/20/84/42/210208442.db2.gz	UNKSMGXXOZEUAP-UHFFFAOYSA-N	1	0	389.544	5.561	50	30		GKEARO
CC1(C)C(=S)N(c2ccccc2)/C(=N/C2CCCCC2)[C@H]1[NH+]1CCCCC1	ZINC000015861666	210174036	/nfs/dbraw/zinc/17/40/36/210174036.db2.gz	NYAOEAVBPBOHCF-LWGCSBEDSA-N	1	0	383.605	5.446	50	30		GKEARO
C1=C/C(=[NH+]\C2CCCCC2)C=C2C1=N[C@]13CCCC[C@H]1CC1=C(CCCC1)N23	ZINC000002255713	209352540	/nfs/dbraw/zinc/35/25/40/209352540.db2.gz	SVPQRBCSONEAHF-NYPJHWHKSA-N	1	0	375.560	6.089	50	30		GKEARO
CC[NH+](CC)CCNc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21	ZINC000001241898	212232651	/nfs/dbraw/zinc/23/26/51/212232651.db2.gz	YNPAFMUSUPULDW-UHFFFAOYSA-N	1	0	391.563	5.010	50	30		GKEARO
O=C(C[n+]1ccccc1-c1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1	ZINC000008844855	205798724	/nfs/dbraw/zinc/79/87/24/205798724.db2.gz	NWNCHPMKBGKCRZ-UHFFFAOYSA-N	1	0	391.903	5.301	50	30		GKEARO
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000032124526	206088438	/nfs/dbraw/zinc/08/84/38/206088438.db2.gz	INGZDDJORYCRCL-PGRDOPGGSA-N	1	0	386.499	5.043	50	30	biogenic	GKEARO
C=CCCCCCCCCC(=O)NCC[N+](C)(C)CCCCCCCCCC	ZINC000101012089	211395082	/nfs/dbraw/zinc/39/50/82/211395082.db2.gz	SCQLORNXOVRPSG-UHFFFAOYSA-O	1	0	395.696	6.627	50	30		GKEARO
C[N@@H+]1CCc2nc(SCc3ccc(F)cc3)c(C#N)c(-c3cccs3)c2C1	ZINC000020073727	210314636	/nfs/dbraw/zinc/31/46/36/210314636.db2.gz	LKPKNXACCIFVPX-UHFFFAOYSA-N	1	0	395.528	5.101	50	30		GKEARO
C/C(=N\N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc2ccccc2c1	ZINC000019849114	518460326	/nfs/dbraw/zinc/46/03/26/518460326.db2.gz	VRJUIKWCIPCTJR-SGWCAAJKSA-N	1	0	393.534	5.535	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2ccccc2C)C[C@@H]2CCCO2)o1	ZINC000036203228	518587165	/nfs/dbraw/zinc/58/71/65/518587165.db2.gz	DQUIIVKBPMEPCK-QFIPXVFZSA-N	1	0	395.543	5.109	50	30		GKEARO
CC(C)(C)[N@H+](CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1	ZINC000057234779	518699387	/nfs/dbraw/zinc/69/93/87/518699387.db2.gz	UNBHKGYTWCLBLW-UHFFFAOYSA-N	1	0	395.546	5.597	50	30		GKEARO
CC(C)(C)[N@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1	ZINC000057234778	518700648	/nfs/dbraw/zinc/70/06/48/518700648.db2.gz	UPCKYCMGVDRUJI-UHFFFAOYSA-N	1	0	397.562	5.617	50	30		GKEARO
C=CCN1c2cc(C)c(C)cc2S/C1=C\c1ccc2ccc(C)cc2[n+]1CC	ZINC000020070277	518873727	/nfs/dbraw/zinc/87/37/27/518873727.db2.gz	HCISSARLEQUZIG-UHFFFAOYSA-N	1	0	387.572	6.169	50	30		GKEARO
CC(C)(C)c1ccc(C[N+](=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1	ZINC000080343875	519012544	/nfs/dbraw/zinc/01/25/44/519012544.db2.gz	IVHFBISYJWWTBG-OGLMXYFKSA-N	1	0	397.478	5.962	50	30		GKEARO
CC(C)[N@H+](CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1	ZINC000057284714	519635613	/nfs/dbraw/zinc/63/56/13/519635613.db2.gz	KKXBTQQZUDEKSQ-AREMUKBSSA-N	1	0	375.556	5.369	50	30		GKEARO
CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000101646990	519807539	/nfs/dbraw/zinc/80/75/39/519807539.db2.gz	YXGCKQSCISYXIL-PUHABZHSSA-N	1	0	395.546	5.517	50	30		GKEARO
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1	ZINC000003002627	519838957	/nfs/dbraw/zinc/83/89/57/519838957.db2.gz	QDBCLLDOTJGGDN-UHFFFAOYSA-N	1	0	376.545	5.315	50	30		GKEARO
CCCCC(=O)NC(Nc1ccccc1C)=[NH+]CCc1c[nH]c2ccccc12	ZINC000032943183	519886976	/nfs/dbraw/zinc/88/69/76/519886976.db2.gz	HKWDXHBUZPKUOH-UHFFFAOYSA-N	1	0	376.504	5.443	50	30		GKEARO
CCCCCCCCCC(=O)O[C@@H](COCc1ccccc1)C[NH+](CC)CC	ZINC000097949718	519979532	/nfs/dbraw/zinc/97/95/32/519979532.db2.gz	NDRGPOICSVSCAZ-HSZRJFAPSA-N	1	0	391.596	5.598	50	30		GKEARO
CCCCCCCCCC1CCC(c2ccc(C(=O)CC[NH+](C)C)cc2)CC1	ZINC000098044718	519980420	/nfs/dbraw/zinc/98/04/20/519980420.db2.gz	AMVVOAHHTZLLKG-UHFFFAOYSA-N	1	0	385.636	7.236	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[n+]1ccc(C(N)=O)cc1	ZINC000100857571	519997578	/nfs/dbraw/zinc/99/75/78/519997578.db2.gz	UZEPSOVYMJFANK-UHFFFAOYSA-O	1	0	375.621	6.335	50	30		GKEARO
CCCCCCCCCCCCCCCC[C@@H](C(=O)OCC)[n+]1ccccc1	ZINC000100690159	520003799	/nfs/dbraw/zinc/00/37/99/520003799.db2.gz	XLJYUWRFIMLXMB-DEOSSOPVSA-N	1	0	390.632	6.950	50	30		GKEARO
CCCCCCCCCCOC(=O)C[N+]1(CCN2CCCCC2)CCCCC1	ZINC000102919499	520018917	/nfs/dbraw/zinc/01/89/17/520018917.db2.gz	CKTHYZSCFONGOA-UHFFFAOYSA-N	1	0	395.652	5.157	50	30		GKEARO
CCCCCCCCC[n+]1c2cc(N(C)C)ccc2cc2ccc(N(C)C)cc21	ZINC000095696923	520032094	/nfs/dbraw/zinc/03/20/94/520032094.db2.gz	CHKMESCAQLVOQU-UHFFFAOYSA-N	1	0	392.611	6.163	50	30		GKEARO
CCCCCCCOc1ccccc1NC(=O)OCC1([NH+](C)C)CCCC1	ZINC000101012317	520065268	/nfs/dbraw/zinc/06/52/68/520065268.db2.gz	MUQHZJLYEOBVCL-UHFFFAOYSA-N	1	0	376.541	5.459	50	30		GKEARO
CCN(CC)[P+](/N=N/c1ccc(N(C)C)cc1)(N(CC)CC)N(CC)CC	ZINC000103541971	520876576	/nfs/dbraw/zinc/87/65/76/520876576.db2.gz	OQJVGJAMMCWEFG-QURGRASLSA-N	1	0	395.556	5.539	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000100695603	522131136	/nfs/dbraw/zinc/13/11/36/522131136.db2.gz	XWCIXZHNWBURHK-QVLLRGFBSA-N	1	0	378.560	5.551	50	30		GKEARO
C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCc2ccccc21	ZINC000082068215	522404728	/nfs/dbraw/zinc/40/47/28/522404728.db2.gz	XQHREBADPHVERH-SFHVURJKSA-N	1	0	396.840	5.956	50	30		GKEARO
CC[C@@H]1CS/C(=[NH+]\CCc2ccccc2)N1Cc1ccc(Cl)cc1Cl	ZINC000102887168	523519651	/nfs/dbraw/zinc/51/96/51/523519651.db2.gz	MPPHOPHCOWGVEB-HBWVRPOVSA-N	1	0	393.383	5.920	50	30		GKEARO
Cc1cc(C)c(NC(Nc2c(C)cc(C)cc2C)=[NH+]C2CCCCC2)c(C)c1	ZINC000032690964	524277975	/nfs/dbraw/zinc/27/79/75/524277975.db2.gz	YIPDSLFMROWZEI-UHFFFAOYSA-N	1	0	377.576	6.750	50	30		GKEARO
Cc1ccccc1[C@@](C#N)(CCC[N@H+](C)Cc1ccc(N(C)C)cc1)C(C)C	ZINC000005571335	525396086	/nfs/dbraw/zinc/39/60/86/525396086.db2.gz	MLLGTCLDZBGQAZ-RUZDIDTESA-N	1	0	377.576	5.391	50	30		GKEARO
Cc1ccccc1[C@@](C#N)(CCC[NH+]1CCN(Cc2ccccc2)CC1)C(C)C	ZINC000022862083	525397262	/nfs/dbraw/zinc/39/72/62/525397262.db2.gz	BRHRMMVVOGSIJY-AREMUKBSSA-N	1	0	389.587	5.010	50	30		GKEARO
O=[N+](Cc1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccccc3)no2)cc1	ZINC000080343832	526391084	/nfs/dbraw/zinc/39/10/84/526391084.db2.gz	VEMHYWDHEMGPKB-QFEZKATASA-N	1	0	375.815	5.318	50	30		GKEARO
ClC(/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)=C\c1ccccc1	ZINC000019773255	526923608	/nfs/dbraw/zinc/92/36/08/526923608.db2.gz	UDYPPZIJZOYFEZ-QPFIVIFOSA-N	1	0	389.930	5.223	50	30		GKEARO
Clc1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019850194	526938975	/nfs/dbraw/zinc/93/89/75/526938975.db2.gz	QDHDTIGTKFHBOD-LGUFXXKBSA-N	1	0	389.930	5.081	50	30		GKEARO
Clc1ccc(/C=N\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000032617884	526940251	/nfs/dbraw/zinc/94/02/51/526940251.db2.gz	QDHDTIGTKFHBOD-XHPQRKPJSA-N	1	0	389.930	5.081	50	30		GKEARO
FC(F)(F)Oc1ccc(NC=CC=[NH+]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000100388077	527675827	/nfs/dbraw/zinc/67/58/27/527675827.db2.gz	HPOQGNPHUPVIGH-SYCYQGBRSA-N	1	0	390.283	5.812	50	30		GKEARO
CCCCCCCCCCCCCCCCCC(=O)OC[N+](C)(CC)CC	ZINC000101017995	570272421	/nfs/dbraw/zinc/27/24/21/570272421.db2.gz	JXLUOYXCOCIXMG-UHFFFAOYSA-N	1	0	384.669	7.235	50	30		GKEARO
C1=C/C(=[NH+]\C2CCCCC2)C=C2C1=N[C@@]13CCCC[C@@H]1CC1=C(CCCC1)N23	ZINC000100668399	570425329	/nfs/dbraw/zinc/42/53/29/570425329.db2.gz	SVPQRBCSONEAHF-QINANHJXSA-N	1	0	375.560	6.089	50	30		GKEARO
CCC(CC)=N[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1	ZINC000005307146	570433623	/nfs/dbraw/zinc/43/36/23/570433623.db2.gz	VUHCNZIKGXLJKX-UHFFFAOYSA-N	1	0	391.538	6.999	50	30		GKEARO
CCCCCCCCCCCCCCn1c2c(c(=[NH2+])c3c1CCCC3)CCC2	ZINC000008453938	570531987	/nfs/dbraw/zinc/53/19/87/570531987.db2.gz	PGKDJYQLKOMVTI-UHFFFAOYSA-N	1	0	384.652	7.036	50	30		GKEARO
Cc1c2ccc(C=Cc3ccc(N(C)C)cc3)ccc-2c(C)[n+]1-c1ccccc1	ZINC000685944480	570675786	/nfs/dbraw/zinc/67/57/86/570675786.db2.gz	QQDOQMYKLRTLRJ-UHFFFAOYSA-N	1	0	379.527	5.826	50	30		GKEARO
COc1ccccc1[C@]1(CC/[NH+]=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1	ZINC000018114657	570800032	/nfs/dbraw/zinc/80/00/32/570800032.db2.gz	GCWPPPWWCMIUBJ-SUOUMBACSA-N	1	0	394.559	5.097	50	30		GKEARO
CCCc1[nH+]c2c(c3[nH]c4ccccc4c31)C(=NNc1ccccc1)CC(C)(C)C2	ZINC000004764840	570970680	/nfs/dbraw/zinc/97/06/80/570970680.db2.gz	HJSFCHIARKGBHZ-JBASAIQMSA-N	1	0	396.538	6.457	50	30	biogenic	GKEARO
Oc1ccc(CC/[NH+]=C2\CCCc3c4cc(-c5ccccc5)ccc4[nH]c32)cc1	ZINC000004785305	570988961	/nfs/dbraw/zinc/98/89/61/570988961.db2.gz	MPBSRFFRJDHRPR-IMVLJIQESA-N	1	0	380.491	5.909	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000004785752	570989860	/nfs/dbraw/zinc/98/98/60/570989860.db2.gz	XWCIXZHNWBURHK-SNPOBSPBSA-N	1	0	378.560	5.551	50	30		GKEARO
C=CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)c1	ZINC000015015710	212099767	/nfs/dbraw/zinc/09/97/67/212099767.db2.gz	PUKGHUXPNZRMAT-QHCPKHFHSA-N	1	0	397.478	5.410	50	30		GKEARO
O[C@@](CC#CC[NH+]1CCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000067319115	212078529	/nfs/dbraw/zinc/07/85/29/212078529.db2.gz	IJKQYPDFUACQFQ-NDEPHWFRSA-N	1	0	395.546	5.469	50	30		GKEARO
CC(C)(C)OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1	ZINC000005018292	204103790	/nfs/dbraw/zinc/10/37/90/204103790.db2.gz	FLVJCWKJUGNAFO-UHFFFAOYSA-N	1	0	393.528	5.503	50	30		GKEARO
O=C(c1ccccc1)C(C(=S)Nc1cccc2ccccc21)[n+]1ccccc1	ZINC000006402809	204177092	/nfs/dbraw/zinc/17/70/92/204177092.db2.gz	UXMUUUYGNLTXRY-UHFFFAOYSA-O	1	0	383.496	5.178	50	30		GKEARO
C=CCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C	ZINC000005101748	206228555	/nfs/dbraw/zinc/22/85/55/206228555.db2.gz	AUYAXWJFEBJXAN-MJEKEMRESA-N	1	0	390.354	5.958	50	30		GKEARO
C/[S+]=c1\nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)sc2c1CCCC2	ZINC000005284246	206604560	/nfs/dbraw/zinc/60/45/60/206604560.db2.gz	MEDVMKVQQOFRMB-UHFFFAOYSA-N	1	0	386.650	6.528	50	30		GKEARO
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	ZINC000096906286	211351410	/nfs/dbraw/zinc/35/14/10/211351410.db2.gz	QSFBUDDTFXACIS-UHFFFAOYSA-O	1	0	383.685	6.460	50	30		GKEARO
CSC[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000328593770	533764672	/nfs/dbraw/zinc/76/46/72/533764672.db2.gz	GZXJBBXFVZOULG-GGAORHGYSA-N	1	0	396.600	5.392	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](Cc2ccccc2C)C2CC2)o1	ZINC000036203291	518697747	/nfs/dbraw/zinc/69/77/47/518697747.db2.gz	WUWVEDSEXSSEER-UHFFFAOYSA-N	1	0	379.544	5.873	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC(C)C)o1	ZINC000036167728	518698406	/nfs/dbraw/zinc/69/84/06/518698406.db2.gz	CAIMNGHAQNLZGM-UHFFFAOYSA-N	1	0	399.550	6.197	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2ccccc2C)C(C)C)o1	ZINC000036203262	518698464	/nfs/dbraw/zinc/69/84/64/518698464.db2.gz	GXHMUVXNSHIIKN-UHFFFAOYSA-N	1	0	381.560	6.119	50	30		GKEARO
CC(C)(C)c1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1	ZINC000019773102	519013394	/nfs/dbraw/zinc/01/33/94/519013394.db2.gz	UWTJARDNAKLKCS-ZXVVBBHZSA-N	1	0	385.555	5.289	50	30		GKEARO
CCCCCCCCCC(=O)O[C@H](COCc1ccccc1)C[NH+](CC)CC	ZINC000097949717	519978778	/nfs/dbraw/zinc/97/87/78/519978778.db2.gz	NDRGPOICSVSCAZ-QHCPKHFHSA-N	1	0	391.596	5.598	50	30		GKEARO
CCCCCCCCCCCCCCCC[NH2+]CCOc1ccc(CC)cc1	ZINC000100023340	519999400	/nfs/dbraw/zinc/99/94/00/519999400.db2.gz	CORDSMIPZFSNSD-UHFFFAOYSA-N	1	0	389.668	7.699	50	30		GKEARO
CCCCCCCCCCCC[NH2+][C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000097995531	520009651	/nfs/dbraw/zinc/00/96/51/520009651.db2.gz	PFWZAJQVLQPZOF-FQEVSTJZSA-N	1	0	392.971	5.482	50	30		GKEARO
CCCCCCCCCC[C@H](C(=O)c1ccc(OC)c(OC)c1)[N+](C)(C)C	ZINC000097950633	520025333	/nfs/dbraw/zinc/02/53/33/520025333.db2.gz	WSBIWGAVHRAABE-HXUWFJFHSA-N	1	0	378.577	5.492	50	30		GKEARO
CCCCCCCCOc1ccccc1NC(=O)OCC1([NH+](C)C)CCCC1	ZINC000101012131	520046194	/nfs/dbraw/zinc/04/61/94/520046194.db2.gz	ZREZJRVOEXMQHC-UHFFFAOYSA-N	1	0	390.568	5.849	50	30		GKEARO
CCCCCCCCc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000097973058	520049133	/nfs/dbraw/zinc/04/91/33/520049133.db2.gz	SHSJBJCPZOYQBF-UHFFFAOYSA-N	1	0	386.559	6.427	50	30		GKEARO
CCCCCCC[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000033356806	520067835	/nfs/dbraw/zinc/06/78/35/520067835.db2.gz	ZGWKWYBWSAEONU-IZZNHLLZSA-N	1	0	395.587	5.351	50	30		GKEARO
CC/[NH+]=C(\c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N(CC)CC	ZINC000022635449	520204014	/nfs/dbraw/zinc/20/40/14/520204014.db2.gz	PPLGHYHKVDPYBM-XUTLUUPISA-N	1	0	375.856	5.149	50	30		GKEARO
CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000102673245	520904699	/nfs/dbraw/zinc/90/46/99/520904699.db2.gz	LIEJILKXNSLXJY-UNFRKHOWSA-N	1	0	395.546	5.661	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000100253427	522132437	/nfs/dbraw/zinc/13/24/37/522132437.db2.gz	XWCIXZHNWBURHK-VMAIBVFHSA-N	1	0	378.560	5.551	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1	ZINC000004027013	523437072	/nfs/dbraw/zinc/43/70/72/523437072.db2.gz	WUVVKZOGORTHGC-ULPINFHUSA-N	1	0	395.543	5.502	50	30	biogenic	GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000004806718	523438130	/nfs/dbraw/zinc/43/81/30/523438130.db2.gz	CNGLEPKVVNXFJC-SBSGUARVSA-N	1	0	383.507	5.632	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccc(F)cc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000095346049	523438634	/nfs/dbraw/zinc/43/86/34/523438634.db2.gz	CNGLEPKVVNXFJC-KGOJFESUSA-N	1	0	383.507	5.632	50	30		GKEARO
CC(C)(C)[N@H+](CC#CC[C@@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1	ZINC000096194478	526277417	/nfs/dbraw/zinc/27/74/17/526277417.db2.gz	GNVIQKGQOCQHKI-HHHXNRCGSA-N	1	0	389.583	5.759	50	30		GKEARO
Clc1cccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)c1Cl	ZINC000019849100	526973880	/nfs/dbraw/zinc/97/38/80/526973880.db2.gz	PUUIXMQXYRGHJH-MFKUBSTISA-N	1	0	398.337	5.298	50	30		GKEARO
O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1cccc(C(F)(F)F)c1	ZINC000005905876	527194043	/nfs/dbraw/zinc/19/40/43/527194043.db2.gz	ONUBNAMCLRBQOP-UHFFFAOYSA-N	1	0	393.388	5.091	50	30		GKEARO
FC(F)(F)Oc1ccc(NC=CC=[NH+]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000100388070	527675444	/nfs/dbraw/zinc/67/54/44/527675444.db2.gz	HPOQGNPHUPVIGH-OJQJLEPASA-N	1	0	390.283	5.812	50	30		GKEARO
C=CCN1c2cc(C)ccc2C=CC1=Cc1sc2cc(C)cc(C)c2[n+]1CC	ZINC000020807886	570283905	/nfs/dbraw/zinc/28/39/05/570283905.db2.gz	DYIOLORJCZYXGC-UHFFFAOYSA-N	1	0	387.572	6.194	50	30		GKEARO
Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C(C)C)c1	ZINC000004914430	570363813	/nfs/dbraw/zinc/36/38/13/570363813.db2.gz	ALKCCOWAEMXNTG-QFIPXVFZSA-N	1	0	385.555	5.763	50	30		GKEARO
C=CCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]1C	ZINC000017143640	570434277	/nfs/dbraw/zinc/43/42/77/570434277.db2.gz	AUYAXWJFEBJXAN-MXKXFIQMSA-N	1	0	390.354	5.958	50	30		GKEARO
CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000226805650	570461376	/nfs/dbraw/zinc/46/13/76/570461376.db2.gz	WETLHCJOVDJFEY-CTFWCDHMSA-N	1	0	391.342	6.262	50	30		GKEARO
O=C(CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc2ccccc21	ZINC000028887755	570466055	/nfs/dbraw/zinc/46/60/55/570466055.db2.gz	RLZNTLMRNBDOMS-IBGZPJMESA-N	1	0	394.540	5.561	50	30		GKEARO
O=C(C[n+]1ccc(-c2ccc(-c3ccccc3)cc2)nc1)c1ccc(Cl)cc1	ZINC000006864593	570497139	/nfs/dbraw/zinc/49/71/39/570497139.db2.gz	XIKYCBGOSAXNPK-UHFFFAOYSA-N	1	0	385.874	5.239	50	30		GKEARO
CC[C@@H](C)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000008682748	570536850	/nfs/dbraw/zinc/53/68/50/570536850.db2.gz	IHLQVRGYCNKFET-GOSISDBHSA-N	1	0	381.589	5.562	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000005377641	570569765	/nfs/dbraw/zinc/56/97/65/570569765.db2.gz	WLIRZHQCAMPRQX-QGITZFTESA-N	1	0	392.587	5.626	50	30		GKEARO
COC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C(=O)C([N+](=O)[O-])=C1	ZINC000254492229	570928681	/nfs/dbraw/zinc/92/86/81/570928681.db2.gz	GSGJOOYVUBHNGR-UHFFFAOYSA-N	1	0	376.372	5.475	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccc(F)cc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000004806721	570996637	/nfs/dbraw/zinc/99/66/37/570996637.db2.gz	CNGLEPKVVNXFJC-QKQINCMDSA-N	1	0	383.507	5.632	50	30		GKEARO
C=CC[N@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccccc2OCC)C1	ZINC000065374762	571000303	/nfs/dbraw/zinc/00/03/03/571000303.db2.gz	XPEOKIAFGFWFCO-HXUWFJFHSA-N	1	0	387.527	5.124	50	30		GKEARO
Cc1cc(C(=O)C[n+]2cccc(-c3ccccc3)c2)c(C)n1Cc1cccs1	ZINC000007761027	571033568	/nfs/dbraw/zinc/03/35/68/571033568.db2.gz	GMKCGCRLARKKHC-UHFFFAOYSA-N	1	0	387.528	5.052	50	30		GKEARO
CCCCCCCCCCCCN(CCCC(=O)OCC)c1ccccc1	ZINC000101016963	212077874	/nfs/dbraw/zinc/07/78/74/212077874.db2.gz	NRZNZCXCIIDEMS-UHFFFAOYSA-N	1	0	375.597	6.757	50	30		GKEARO
O=C(C[n+]1cccc2ccc3cccnc3c21)c1ccc(-c2ccccc2)cc1	ZINC000004542214	209137426	/nfs/dbraw/zinc/13/74/26/209137426.db2.gz	HEKXTYOJUZRRPO-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[NH+](CCCC)CCCC	ZINC000101019633	209137144	/nfs/dbraw/zinc/13/71/44/209137144.db2.gz	YEVRYVXXLRUQBJ-UHFFFAOYSA-N	1	0	381.733	9.150	50	30		GKEARO
Cc1nc2ccccc2n1CCCC#CC#CCCCn1c(C)nc2ccccc21	ZINC000004649842	206227175	/nfs/dbraw/zinc/22/71/75/206227175.db2.gz	WQULXASPHWJRMV-UHFFFAOYSA-N	1	0	394.522	5.270	50	30		GKEARO
O[C@@](CC#CC[NH+]1CCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000002291494	206250548	/nfs/dbraw/zinc/25/05/48/206250548.db2.gz	MWUYMBBXAJPPHW-MHZLTWQESA-N	1	0	381.519	5.079	50	30		GKEARO
CC1(C)SC(=S)N(c2ccccc2)[C@H]1[N+](=O)Cc1c(F)cccc1Cl	ZINC000001436807	206381901	/nfs/dbraw/zinc/38/19/01/206381901.db2.gz	STFMVAFRKLDZMW-NBZOHKLQSA-N	1	0	394.924	5.051	50	30		GKEARO
COc1ccc([C@]2(CC/[NH+]=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1	ZINC000013136593	221263254	/nfs/dbraw/zinc/26/32/54/221263254.db2.gz	FIVMSMFFNOEBKL-SUOUMBACSA-N	1	0	394.559	5.097	50	30		GKEARO
C(=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)\c1cccc2ccccc12	ZINC000019833143	518375949	/nfs/dbraw/zinc/37/59/49/518375949.db2.gz	MNVTVMZNVKBHBQ-ZXVVBBHZSA-N	1	0	379.507	5.145	50	30		GKEARO
C/C(=N\N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1Cl	ZINC000019924406	518458685	/nfs/dbraw/zinc/45/86/85/518458685.db2.gz	SORHFCFNPGMUCN-XIEYBQDHSA-N	1	0	377.919	5.035	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCOC)Cc2ccc(C)cc2)o1	ZINC000036157182	518695713	/nfs/dbraw/zinc/69/57/13/518695713.db2.gz	URLASOZACPNYRD-UHFFFAOYSA-N	1	0	397.559	5.357	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](Cc2ccc(C)o2)CC(C)C)o1	ZINC000036202562	518697848	/nfs/dbraw/zinc/69/78/48/518697848.db2.gz	NDGACOMIAAHAKP-UHFFFAOYSA-N	1	0	385.548	5.959	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2ccc(C)s2)C(C)C)o1	ZINC000036203617	518698569	/nfs/dbraw/zinc/69/85/69/518698569.db2.gz	ONFIHXMXXZQONL-UHFFFAOYSA-N	1	0	387.589	6.180	50	30		GKEARO
CC(C)CC[C@@]1(CC/[NH+]=C/c2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1	ZINC000004065030	519687828	/nfs/dbraw/zinc/68/78/28/519687828.db2.gz	HLDDUVJWECTGLW-JFTSZFCESA-N	1	0	387.608	6.540	50	30	biogenic	GKEARO
CC(C)c1ccc(C[N+](=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1	ZINC000080343909	519834323	/nfs/dbraw/zinc/83/43/23/519834323.db2.gz	AKSNRLMKUYGMQC-YUMHPJSZSA-N	1	0	383.451	5.788	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[NH+]1CCC(C(N)=O)CC1	ZINC000101014526	519995153	/nfs/dbraw/zinc/99/51/53/519995153.db2.gz	USEZYWLQFDBGAK-UHFFFAOYSA-N	1	0	380.661	6.445	50	30		GKEARO
CCCCCCCCCCCCCCOc1ccc(C(=O)NCC[NH3+])c(O)c1	ZINC000100684644	520004905	/nfs/dbraw/zinc/00/49/05/520004905.db2.gz	QFATXWJCMRBQIF-UHFFFAOYSA-N	1	0	392.584	5.161	50	30		GKEARO
CCN(CC)/C(C)=[NH+]\c1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1	ZINC000100218321	520436868	/nfs/dbraw/zinc/43/68/68/520436868.db2.gz	CDNBAMRHHIWMPS-QFEZKATASA-N	1	0	378.442	5.225	50	30		GKEARO
CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1	ZINC000100163555	520813314	/nfs/dbraw/zinc/81/33/14/520813314.db2.gz	WETLHCJOVDJFEY-POJVIIDRSA-N	1	0	391.342	6.262	50	30		GKEARO
CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000013757252	520902194	/nfs/dbraw/zinc/90/21/94/520902194.db2.gz	LIEJILKXNSLXJY-VIJSPRBVSA-N	1	0	395.546	5.661	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000004027012	523437825	/nfs/dbraw/zinc/43/78/25/523437825.db2.gz	WUVVKZOGORTHGC-WFYAKCOTSA-N	1	0	395.543	5.502	50	30	biogenic	GKEARO
C[NH+]=C(NCc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000003062724	523669475	/nfs/dbraw/zinc/66/94/75/523669475.db2.gz	BIWUBVLCAYMEQX-UHFFFAOYSA-N	1	0	395.846	5.207	50	30		GKEARO
COc1ccc(CC[NH2+]CCC[C@@](C#N)(c2ccccc2C)C(C)C)cc1OC	ZINC000005712015	523974038	/nfs/dbraw/zinc/97/40/38/523974038.db2.gz	PBOYVJICLBLMQY-VWLOTQADSA-N	1	0	394.559	5.042	50	30		GKEARO
CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]/NC1c2ccccc2-c2ccccc21	ZINC000017186181	524035503	/nfs/dbraw/zinc/03/55/03/524035503.db2.gz	UEOPRECUYUCDON-VTRIOTMOSA-N	1	0	379.507	5.643	50	30		GKEARO
Clc1cccc(Cl)c1/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000019833228	526977501	/nfs/dbraw/zinc/97/75/01/526977501.db2.gz	BBXCKZDKXPXHFJ-MFKUBSTISA-N	1	0	398.337	5.298	50	30		GKEARO
N#Cc1cccc(C[N@@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)c1	ZINC000015864846	570280144	/nfs/dbraw/zinc/28/01/44/570280144.db2.gz	ZOUUWIFOGNYIFF-XMMPIXPASA-N	1	0	384.548	5.646	50	30		GKEARO
CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004836800	570311462	/nfs/dbraw/zinc/31/14/62/570311462.db2.gz	LIEJILKXNSLXJY-WXIAYYLYSA-N	1	0	395.546	5.661	50	30		GKEARO
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000035633423	570404903	/nfs/dbraw/zinc/40/49/03/570404903.db2.gz	INGZDDJORYCRCL-XMSQKQJNSA-N	1	0	386.499	5.043	50	30		GKEARO
Cc1ccc([NH+]=C(c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1	ZINC000254834323	570510460	/nfs/dbraw/zinc/51/04/60/570510460.db2.gz	ZHGGCXUNKBORLK-UHFFFAOYSA-N	1	0	376.503	6.780	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)o1	ZINC000036156182	570553755	/nfs/dbraw/zinc/55/37/55/570553755.db2.gz	MHARIMHAGCPMNJ-UHFFFAOYSA-N	1	0	395.543	5.573	50	30		GKEARO
Cc1ccc(N[P@@+](c2ccncc2)(N2CCCC2)C(C)(C)C)cc1Cl	ZINC000005614494	570669982	/nfs/dbraw/zinc/66/99/82/570669982.db2.gz	VZMMYHRUNPTZHO-VWLOTQADSA-N	1	0	376.892	5.523	50	30		GKEARO
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000032624756	570709222	/nfs/dbraw/zinc/70/92/22/570709222.db2.gz	INGZDDJORYCRCL-AVRDEDQJSA-N	1	0	386.499	5.043	50	30		GKEARO
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000138747593	570712797	/nfs/dbraw/zinc/71/27/97/570712797.db2.gz	XOEFQGQIXMPRIN-WQTPVJRFSA-N	1	0	398.506	5.029	50	30	biogenic,in-vitro	GKEARO
CCCc1c/c(=[NH+]\c2ccc(N(CC)CC)cc2)n2c3ccccc3[nH]c2c1C#N	ZINC000102857099	570868361	/nfs/dbraw/zinc/86/83/61/570868361.db2.gz	AGTQLIXUHXKSPA-SOYKGTTHSA-N	1	0	397.526	5.323	50	30		GKEARO
C[N@H+](CC#C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1	ZINC000004027753	570907497	/nfs/dbraw/zinc/90/74/97/570907497.db2.gz	VSJACZVSLVSJHV-GGBSJPMNSA-N	1	0	389.539	5.219	50	30	biogenic	GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1	ZINC000004785753	570989764	/nfs/dbraw/zinc/98/97/64/570989764.db2.gz	XWCIXZHNWBURHK-VEQVQPBUSA-N	1	0	378.560	5.551	50	30		GKEARO
O[C@](CC#CC[NH+]1CCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000067319113	571006987	/nfs/dbraw/zinc/00/69/87/571006987.db2.gz	IJKQYPDFUACQFQ-MUUNZHRXSA-N	1	0	395.546	5.469	50	30		GKEARO
CC(C)c1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682461	571028176	/nfs/dbraw/zinc/02/81/76/571028176.db2.gz	JBNAJBGCXOCMFR-TURZUDJPSA-N	1	0	395.550	5.532	50	30		GKEARO
CC(C)(C#CC[NH+]1CCCCC1)OCCOC(c1ccccc1)c1ccccc1	ZINC000004174253	571041765	/nfs/dbraw/zinc/04/17/65/571041765.db2.gz	NDBWIVOTAIDHPM-UHFFFAOYSA-N	1	0	391.555	5.077	50	30		GKEARO
COc1ccc([C@@]2(CC/[NH+]=C\c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1	ZINC000100340666	231006682	/nfs/dbraw/zinc/00/66/82/231006682.db2.gz	FIVMSMFFNOEBKL-BIAHXVBSSA-N	1	0	394.559	5.097	50	30		GKEARO
COc1ccccc1[C@@]1(CC/[NH+]=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1	ZINC000018178941	210215155	/nfs/dbraw/zinc/21/51/55/210215155.db2.gz	GCWPPPWWCMIUBJ-YYLNTILESA-N	1	0	394.559	5.097	50	30		GKEARO
N#Cc1cccc(C[N@@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)c1	ZINC000015864845	210176100	/nfs/dbraw/zinc/17/61/00/210176100.db2.gz	ZOUUWIFOGNYIFF-DEOSSOPVSA-N	1	0	384.548	5.646	50	30		GKEARO
CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004866070	212079211	/nfs/dbraw/zinc/07/92/11/212079211.db2.gz	YXGCKQSCISYXIL-ZVBOOHQUSA-N	1	0	395.546	5.517	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@]2(c3ccc(OC)cc3)CCOC(C)(C)C2)cc1	ZINC000004028036	204024010	/nfs/dbraw/zinc/02/40/10/204024010.db2.gz	PWVDAIZGNIJFFP-IOCYEQIYSA-N	1	0	381.516	5.040	50	30	biogenic	GKEARO
Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C(C)C)c1	ZINC000004914440	204090936	/nfs/dbraw/zinc/09/09/36/204090936.db2.gz	ALKCCOWAEMXNTG-JOCHJYFZSA-N	1	0	385.555	5.763	50	30		GKEARO
O[C@](CC#CC[NH+]1CCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000002291493	209169378	/nfs/dbraw/zinc/16/93/78/209169378.db2.gz	MWUYMBBXAJPPHW-HHHXNRCGSA-N	1	0	381.519	5.079	50	30		GKEARO
CCCCC1CCC(c2nc(C#N)c(NCC3([NH+](C)C)CCCCC3)o2)CC1	ZINC000035673316	204996565	/nfs/dbraw/zinc/99/65/65/204996565.db2.gz	IYVGZZRVTIHSNL-UHFFFAOYSA-N	1	0	386.584	5.687	50	30		GKEARO
CCCC[P+](N(CCC)CCC)(N(CCC)CCC)N(CCC)CCC	ZINC000004530674	205750612	/nfs/dbraw/zinc/75/06/12/205750612.db2.gz	CFEATGACFFTVNN-UHFFFAOYSA-N	1	0	388.645	6.915	50	30		GKEARO
C=C(C)c1cccc(C(C)(C)NC(=O)NC2(C[NH+]3CCCC3)CCCCC2)c1	ZINC000004721493	206227767	/nfs/dbraw/zinc/22/77/67/206227767.db2.gz	UEKCZEVEAGDNNP-UHFFFAOYSA-N	1	0	383.580	5.053	50	30		GKEARO
OC(C#CC[N+]1(Cc2ccccc2)CCCCC1)(c1ccccc1)c1ccccc1	ZINC000002333631	206250223	/nfs/dbraw/zinc/25/02/23/206250223.db2.gz	SGAORLDIVAMZKB-UHFFFAOYSA-N	1	0	396.554	5.127	50	30		GKEARO
Cc1ccccc1Cn1cccc1C[N@H+](Cc1ccccc1C#N)C1CCCCC1	ZINC000096299921	208305327	/nfs/dbraw/zinc/30/53/27/208305327.db2.gz	NSRDLLOPCUXFRL-UHFFFAOYSA-N	1	0	397.566	6.051	50	30		GKEARO
C[C@@H]1[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1	ZINC000003771909	220664563	/nfs/dbraw/zinc/66/45/63/220664563.db2.gz	HMVLFUWQWMPWKQ-IKAXQFJBSA-N	1	0	395.546	5.469	50	30		GKEARO
CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](CC)CC	ZINC000004674561	220745372	/nfs/dbraw/zinc/74/53/72/220745372.db2.gz	OJSSQQBZKAXPJX-UHFFFAOYSA-N	1	0	391.563	5.154	50	30		GKEARO
C[NH+](C)CCCN(Cc1ccccc1)C(=S)Nc1cccc(C(F)(F)F)c1	ZINC000008774875	221057949	/nfs/dbraw/zinc/05/79/49/221057949.db2.gz	RGERENBIMAVPHU-UHFFFAOYSA-N	1	0	395.494	5.077	50	30		GKEARO
COc1ccc([C@@]2(CC/[NH+]=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1	ZINC000013136592	221262723	/nfs/dbraw/zinc/26/27/23/221262723.db2.gz	FIVMSMFFNOEBKL-YYLNTILESA-N	1	0	394.559	5.097	50	30		GKEARO
CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C	ZINC000017654925	221384776	/nfs/dbraw/zinc/38/47/76/221384776.db2.gz	ZZXUNAFAKNKXFW-UHFFFAOYSA-N	1	0	397.671	7.614	50	30	in-vitro	GKEARO
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC	ZINC000038158021	221878379	/nfs/dbraw/zinc/87/83/79/221878379.db2.gz	QQJDHWMADUVRDL-UHFFFAOYSA-N	1	0	382.741	8.905	50	30		GKEARO
C/C(=N/N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccc(Cl)cc1	ZINC000019773144	518448423	/nfs/dbraw/zinc/44/84/23/518448423.db2.gz	WJQWUABZIOVRBY-BWAHOGKJSA-N	1	0	377.919	5.035	50	30		GKEARO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCC)Cc2cc(OC)cc(OC)c2)o1	ZINC000036167635	518587788	/nfs/dbraw/zinc/58/77/88/518587788.db2.gz	WNAUWYNXLOHMJO-UHFFFAOYSA-N	1	0	399.531	5.049	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2cccc(C)c2)o1	ZINC000036203496	518695732	/nfs/dbraw/zinc/69/57/32/518695732.db2.gz	RYIAXQZGPJVMBM-UHFFFAOYSA-N	1	0	381.560	6.120	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2cccc(F)c2)C(C)C)o1	ZINC000036203073	518697366	/nfs/dbraw/zinc/69/73/66/518697366.db2.gz	YBNQZAPQVDZDFW-UHFFFAOYSA-N	1	0	385.523	5.949	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2ccc(F)cc2)C(C)C)o1	ZINC000036167737	518697972	/nfs/dbraw/zinc/69/79/72/518697972.db2.gz	GECHHYHCZWLZOJ-UHFFFAOYSA-N	1	0	385.523	5.949	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](Cc2cccs2)[C@H](C)CC)o1	ZINC000036157169	518698730	/nfs/dbraw/zinc/69/87/30/518698730.db2.gz	CHWQCSQCXZAEEF-LJQANCHMSA-N	1	0	387.589	6.262	50	30		GKEARO
C=CCC[C@@H](O)C[N@@H+](CC=C)Cc1cccn1Cc1ccc(C(C)(C)C)cc1	ZINC000035840740	518712953	/nfs/dbraw/zinc/71/29/53/518712953.db2.gz	MJBOLSJCYUVEPZ-XMMPIXPASA-N	1	0	380.576	5.149	50	30		GKEARO
C=CC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1	ZINC000035841166	518787716	/nfs/dbraw/zinc/78/77/16/518787716.db2.gz	PGYWBDMSBHHKKE-UHFFFAOYSA-N	1	0	384.445	5.743	50	30		GKEARO
C=CCN1c2cc(Cl)ccc2S/C1=C\c1ccc2cc(C)ccc2[n+]1CC	ZINC000020070327	518873708	/nfs/dbraw/zinc/87/37/08/518873708.db2.gz	AUTUVYXYOPKLCH-UHFFFAOYSA-N	1	0	393.963	6.206	50	30		GKEARO
CC(/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)=C/c1ccco1	ZINC000013595480	519348738	/nfs/dbraw/zinc/34/87/38/519348738.db2.gz	WHFAMSISRMUWAS-QZSRELSJSA-N	1	0	383.495	5.056	50	30		GKEARO
CC(C)[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1	ZINC000057284716	519635554	/nfs/dbraw/zinc/63/55/54/519635554.db2.gz	KKXBTQQZUDEKSQ-SANMLTNESA-N	1	0	375.556	5.369	50	30		GKEARO
CC(C)c1ccc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019805800	519834358	/nfs/dbraw/zinc/83/43/58/519834358.db2.gz	JSZKYNVWSMVCQK-SGWCAAJKSA-N	1	0	397.566	5.551	50	30		GKEARO
CCC1([C@@](O)(C#CC[N@H+](Cc2ccccc2)C(C)C)c2ccccc2)CCCC1	ZINC000057234780	519847801	/nfs/dbraw/zinc/84/78/01/519847801.db2.gz	MSKSHBGXNMDJDX-HHHXNRCGSA-N	1	0	389.583	5.759	50	30		GKEARO
CCCCCCCC(=O)Nc1ccc(NCC[NH+](CC)CC)c2ccccc12	ZINC000101357614	519965962	/nfs/dbraw/zinc/96/59/62/519965962.db2.gz	OKKFYMDRYXTQAP-UHFFFAOYSA-N	1	0	383.580	5.893	50	30		GKEARO
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1	ZINC000100552769	519981979	/nfs/dbraw/zinc/98/19/79/519981979.db2.gz	HZGSAOOKKTWOMX-UHFFFAOYSA-O	1	0	375.621	5.690	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000101014529	519993979	/nfs/dbraw/zinc/99/39/79/519993979.db2.gz	LDWKQNZRXXFKDS-QHCPKHFHSA-N	1	0	380.661	6.445	50	30		GKEARO
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N	ZINC000100684616	519997666	/nfs/dbraw/zinc/99/76/66/519997666.db2.gz	SOBNCTFSOOYMRI-UHFFFAOYSA-N	1	0	395.696	7.255	50	30		GKEARO
CCCCCCCCCCCC[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000101377099	520009188	/nfs/dbraw/zinc/00/91/88/520009188.db2.gz	PFWZAJQVLQPZOF-HXUWFJFHSA-N	1	0	392.971	5.482	50	30		GKEARO
CCCCCCCCCCOC(=O)C[N+](C)(C)C12CC3CC(CC(C3)C1)C2	ZINC000100857934	520020133	/nfs/dbraw/zinc/02/01/33/520020133.db2.gz	YJPXUNCPHUODOW-UHFFFAOYSA-N	1	0	378.621	5.716	50	30		GKEARO
CCCCCCCCCC[C@@H](C(=O)Oc1ccc(OC)cc1)[n+]1ccccc1	ZINC000100657924	520024181	/nfs/dbraw/zinc/02/41/81/520024181.db2.gz	OZCNHIHOMSVCNJ-QHCPKHFHSA-N	1	0	384.540	5.660	50	30		GKEARO
CCCCCCCCOCn1c2ccccc2n(Cc2ccc(C)cc2)c1=[NH2+]	ZINC000033353414	520041849	/nfs/dbraw/zinc/04/18/49/520041849.db2.gz	IEISEMGZQSAVAJ-UHFFFAOYSA-N	1	0	379.548	5.614	50	30		GKEARO
CCCCCCCCOc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000097949443	520043052	/nfs/dbraw/zinc/04/30/52/520043052.db2.gz	QZICWAUCWDKKPN-UHFFFAOYSA-N	1	0	398.550	7.871	50	30		GKEARO
COc1ccc(/C=[NH+]/CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000004027010	523438691	/nfs/dbraw/zinc/43/86/91/523438691.db2.gz	WUVVKZOGORTHGC-WSWZXSTISA-N	1	0	395.543	5.502	50	30	biogenic	GKEARO
COc1ccccc1OCC[N@H+](C)CCC[C@@](C#N)(c1ccccc1C)C(C)C	ZINC000005711989	524670066	/nfs/dbraw/zinc/67/00/66/524670066.db2.gz	BEIFDTVIOMJWGH-VWLOTQADSA-N	1	0	394.559	5.212	50	30		GKEARO
CC(C)(C)[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)Cc1ccccc1	ZINC000096194479	526277191	/nfs/dbraw/zinc/27/71/91/526277191.db2.gz	GNVIQKGQOCQHKI-MHZLTWQESA-N	1	0	389.583	5.759	50	30		GKEARO
Clc1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)c(Cl)c1	ZINC000020065506	526939156	/nfs/dbraw/zinc/93/91/56/526939156.db2.gz	BTDCURVEFHGWNU-MFKUBSTISA-N	1	0	398.337	5.298	50	30		GKEARO
O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1cccc2ccccc21	ZINC000006342807	527194473	/nfs/dbraw/zinc/19/44/73/527194473.db2.gz	XVTFXEPNAAWQFD-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
O=C(C[n+]1ccc(-c2cccc3ccccc32)nc1)c1cccc2ccccc21	ZINC000006342591	527195338	/nfs/dbraw/zinc/19/53/38/527195338.db2.gz	BXOSZQJGPRLSRL-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
O=C(c1ccccc1)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1	ZINC000100486837	527589977	/nfs/dbraw/zinc/58/99/77/527589977.db2.gz	RJQZZETUEWXOLB-UHFFFAOYSA-O	1	0	386.858	5.547	50	30		GKEARO
Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1	ZINC000004542269	570270405	/nfs/dbraw/zinc/27/04/05/570270405.db2.gz	ZNHOJKNNZDVMTR-UHFFFAOYSA-N	1	0	389.906	5.130	50	30		GKEARO
FC(F)(F)Oc1ccc(NC=CC=[NH+]c2ccc(OC(F)(F)F)cc2)cc1	ZINC000002513629	570289098	/nfs/dbraw/zinc/28/90/98/570289098.db2.gz	HPOQGNPHUPVIGH-YXFVCWCUSA-N	1	0	390.283	5.812	50	30		GKEARO
C[NH+](C)CCSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N	ZINC000000705799	570296230	/nfs/dbraw/zinc/29/62/30/570296230.db2.gz	AKNVEBYOMSTHKP-UHFFFAOYSA-N	1	0	399.972	5.656	50	30		GKEARO
O=C1C=C2C[N@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2S1	ZINC000022066876	570304333	/nfs/dbraw/zinc/30/43/33/570304333.db2.gz	QWWKINCXTMBNIV-DEOSSOPVSA-N	1	0	397.543	5.253	50	30	in-vitro	GKEARO
COc1ccc(CC[NH2+]CCC[C@](C#N)(c2ccccc2C)C(C)C)cc1OC	ZINC000005712053	570452217	/nfs/dbraw/zinc/45/22/17/570452217.db2.gz	PBOYVJICLBLMQY-RUZDIDTESA-N	1	0	394.559	5.042	50	30		GKEARO
Cc1ccc(N/C=[NH+]/c2ccc(C)c(Br)c2)cc1Br	ZINC000226757383	570461545	/nfs/dbraw/zinc/46/15/45/570461545.db2.gz	ZIKQOZODDJSJHG-UHFFFAOYSA-N	1	0	382.099	5.600	50	30		GKEARO
CC(C)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000035841015	570463489	/nfs/dbraw/zinc/46/34/89/570463489.db2.gz	QRGGGHZEKCHDIU-FQEVSTJZSA-N	1	0	389.518	5.594	50	30		GKEARO
O=C(CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cccc2ccccc21	ZINC000028887760	570465785	/nfs/dbraw/zinc/46/57/85/570465785.db2.gz	RLZNTLMRNBDOMS-LJQANCHMSA-N	1	0	394.540	5.561	50	30		GKEARO
O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc2ccccc2c1	ZINC000006238231	570473068	/nfs/dbraw/zinc/47/30/68/570473068.db2.gz	UWJPXZITDSNXQJ-UHFFFAOYSA-N	1	0	375.451	5.225	50	30		GKEARO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCC)Cc2ccc(C)s2)o1	ZINC000036154607	570553145	/nfs/dbraw/zinc/55/31/45/570553145.db2.gz	DUPPPOMBXMBAMY-UHFFFAOYSA-N	1	0	387.589	6.182	50	30		GKEARO
CN(C)c1ccc(/C=[NH+]/CC[C@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1	ZINC000005377644	570569832	/nfs/dbraw/zinc/56/98/32/570569832.db2.gz	WLIRZHQCAMPRQX-KGSCEHNDSA-N	1	0	392.587	5.626	50	30		GKEARO
CC(C)[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)C#Cc1ccccc1	ZINC000013633537	570663197	/nfs/dbraw/zinc/66/31/97/570663197.db2.gz	YXGCKQSCISYXIL-VIJSPRBVSA-N	1	0	395.546	5.517	50	30		GKEARO
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000138694254	570697532	/nfs/dbraw/zinc/69/75/32/570697532.db2.gz	XOEFQGQIXMPRIN-BPHUOMJKSA-N	1	0	398.506	5.029	50	30	biogenic	GKEARO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H](C)C1(O)C#Cc1ccccc1	ZINC000002573214	570720230	/nfs/dbraw/zinc/72/02/30/570720230.db2.gz	JVERHSPATOGMGT-FJIJVGMHSA-N	1	0	381.519	5.127	50	30		GKEARO
Cc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C#N)cc2)C2CCCCC2)c1	ZINC000004375711	570721609	/nfs/dbraw/zinc/72/16/09/570721609.db2.gz	YYRZSWZNSMIHSX-UHFFFAOYSA-N	1	0	397.566	6.051	50	30		GKEARO
Cc1ccc2c(c1)-c1c(ss/c1=[S+]\CC(=O)c1ccccc1)C(C)(C)N2	ZINC000003880367	570885392	/nfs/dbraw/zinc/88/53/92/570885392.db2.gz	XXCBFTIHNQYFTP-UHFFFAOYSA-N	1	0	398.598	5.943	50	30		GKEARO
CN1CCCC1=[NH+]c1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2	ZINC000252621159	571032998	/nfs/dbraw/zinc/03/29/98/571032998.db2.gz	MUESJPRLIWSHEJ-UHFFFAOYSA-N	1	0	376.891	5.338	50	30		GKEARO
C=CCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]1C	ZINC000005101749	571043254	/nfs/dbraw/zinc/04/32/54/571043254.db2.gz	AUYAXWJFEBJXAN-KPZAZECOSA-N	1	0	390.354	5.958	50	30		GKEARO