smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cc(C#CCO)cs4)C3)c2)c1	ZINC000012431923	524110441	/nfs/dbraw/zinc/11/04/41/524110441.db2.gz	RXZKKQRPCJMEKF-DEOSSOPVSA-N	1	1	444.600	4.918	50	30		IJEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@@H+](C)C3CCCCC3)C2=O)c1C	ZINC000020685843	524666469	/nfs/dbraw/zinc/66/64/69/524666469.db2.gz	FSGUCTXHIATDIA-VYIQYICTSA-N	1	1	449.624	4.563	50	30		IJEAMO
Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(C[N@H+](C)C3CCCCC3)C2=O)c1C	ZINC000020685843	524666478	/nfs/dbraw/zinc/66/64/78/524666478.db2.gz	FSGUCTXHIATDIA-VYIQYICTSA-N	1	1	449.624	4.563	50	30		IJEAMO
C=CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000169679500	568991161	/nfs/dbraw/zinc/99/11/61/568991161.db2.gz	KXVWLNHJRHJJMQ-GMAHTHKFSA-N	1	1	428.960	4.671	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12	ZINC000004082415	569458722	/nfs/dbraw/zinc/45/87/22/569458722.db2.gz	KWBZASDHYSHVQB-APGSGDLVSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146710	518718866	/nfs/dbraw/zinc/71/88/66/518718866.db2.gz	KXVWLNHJRHJJMQ-GGAORHGYSA-N	1	1	428.960	4.671	50	30		IJEAMO
C=CCC[C@H](O)C[N@@H+](CCC)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1	ZINC000036207784	518723691	/nfs/dbraw/zinc/72/36/91/518723691.db2.gz	UDLQBUNRYPOYTR-KRWDZBQOSA-N	1	1	431.989	4.844	50	30		IJEAMO
C=CCC[C@H](O)C[N@H+](CCC)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1	ZINC000036207784	518723700	/nfs/dbraw/zinc/72/37/00/518723700.db2.gz	UDLQBUNRYPOYTR-KRWDZBQOSA-N	1	1	431.989	4.844	50	30		IJEAMO
CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055271639	521180143	/nfs/dbraw/zinc/18/01/43/521180143.db2.gz	XPTPHHDLOYGETJ-AREMUKBSSA-N	1	1	439.621	4.649	50	30		IJEAMO
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cc(C#CCO)cs4)C3)c2)c1	ZINC000012431922	524109550	/nfs/dbraw/zinc/10/95/50/524109550.db2.gz	RXZKKQRPCJMEKF-XMMPIXPASA-N	1	1	444.600	4.918	50	30		IJEAMO
C[NH+]1CCN([C@H]2/C(=N\C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1	ZINC000022938514	556581480	/nfs/dbraw/zinc/58/14/80/556581480.db2.gz	PHFWHRMVACZCDR-MEQARESCSA-N	1	1	433.065	4.861	50	30		IJEAMO
CC[NH+]1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1	ZINC000033027216	556706137	/nfs/dbraw/zinc/70/61/37/556706137.db2.gz	WTYCSKYSNCZWJX-UHFFFAOYSA-N	1	1	428.492	4.680	50	30		IJEAMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c1C#N	ZINC000024774296	557136834	/nfs/dbraw/zinc/13/68/34/557136834.db2.gz	JTXVFXBEZQRQOB-UHFFFAOYSA-N	1	1	436.556	4.829	50	30		IJEAMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c1C#N	ZINC000024774296	557136836	/nfs/dbraw/zinc/13/68/36/557136836.db2.gz	JTXVFXBEZQRQOB-UHFFFAOYSA-N	1	1	436.556	4.829	50	30		IJEAMO
C=CCN1C[C@H](C)[N@@H+]([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000022066510	563025482	/nfs/dbraw/zinc/02/54/82/563025482.db2.gz	KQWVAUSXZDRQPZ-UMTXDNHDSA-N	1	1	449.639	4.847	50	30	in-vitro	IJEAMO
C=CC[N@@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000022066510	563025483	/nfs/dbraw/zinc/02/54/83/563025483.db2.gz	KQWVAUSXZDRQPZ-UMTXDNHDSA-N	1	1	449.639	4.847	50	30	in-vitro	IJEAMO
C=CC[N@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000022066510	563025484	/nfs/dbraw/zinc/02/54/84/563025484.db2.gz	KQWVAUSXZDRQPZ-UMTXDNHDSA-N	1	1	449.639	4.847	50	30	in-vitro	IJEAMO
C=CC[NH+](CC=C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccsc1	ZINC000011786900	568820655	/nfs/dbraw/zinc/82/06/55/568820655.db2.gz	CSNPRRWTQJBNQQ-UHFFFAOYSA-N	1	1	427.551	4.571	50	30		IJEAMO
Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000014980408	568827849	/nfs/dbraw/zinc/82/78/49/568827849.db2.gz	FLSYLIURCYTTJC-IBGZPJMESA-N	1	1	442.600	4.949	50	30		IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1Br	ZINC000016311789	568876641	/nfs/dbraw/zinc/87/66/41/568876641.db2.gz	CZUWYHNGYAZSMD-MQUBGCMGSA-N	1	1	426.358	4.914	50	30		IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1Br	ZINC000016311789	568876643	/nfs/dbraw/zinc/87/66/43/568876643.db2.gz	CZUWYHNGYAZSMD-MQUBGCMGSA-N	1	1	426.358	4.914	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1	ZINC000079024410	569322754	/nfs/dbraw/zinc/32/27/54/569322754.db2.gz	PBBPPVVNHGVISJ-HKUYNNGSSA-N	1	1	429.611	4.671	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1	ZINC000079024410	569322756	/nfs/dbraw/zinc/32/27/56/569322756.db2.gz	PBBPPVVNHGVISJ-HKUYNNGSSA-N	1	1	429.611	4.671	50	30		IJEAMO
N#Cc1ccccc1COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019805100	569329784	/nfs/dbraw/zinc/32/97/84/569329784.db2.gz	AZWLBNZOQHPZRX-UHFFFAOYSA-N	1	1	427.573	4.631	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146579	518987594	/nfs/dbraw/zinc/98/75/94/518987594.db2.gz	DTBGMLRLVKGLJD-PMACEKPBSA-N	1	1	449.378	4.552	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308476	518988518	/nfs/dbraw/zinc/98/85/18/518988518.db2.gz	XARZHEYZWPKPRX-QHCPKHFHSA-N	1	1	433.552	4.501	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308476	518988523	/nfs/dbraw/zinc/98/85/23/518988523.db2.gz	XARZHEYZWPKPRX-QHCPKHFHSA-N	1	1	433.552	4.501	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306494	518992055	/nfs/dbraw/zinc/99/20/55/518992055.db2.gz	PKVUGGAUXLHVNB-HSZRJFAPSA-N	1	1	449.595	4.963	50	30		IJEAMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1	ZINC000089368961	524529372	/nfs/dbraw/zinc/52/93/72/524529372.db2.gz	DZCVSLOCAWIXSS-LJQANCHMSA-N	1	1	428.536	4.601	50	30		IJEAMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1	ZINC000089368961	524529379	/nfs/dbraw/zinc/52/93/79/524529379.db2.gz	DZCVSLOCAWIXSS-LJQANCHMSA-N	1	1	428.536	4.601	50	30		IJEAMO
O=C1/C(=N/c2cccc(Cl)c2)c2ccccc2N1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000096429685	556760843	/nfs/dbraw/zinc/76/08/43/556760843.db2.gz	NKTYLOOORIKWTM-AZPGRJICSA-N	1	1	444.966	4.583	50	30		IJEAMO
C=C(Cl)Cn1c2cc3c(cc2cc(C[N@@H+]2CC=C(c4ccccc4)CC2)c1=O)OCO3	ZINC000014983189	568827612	/nfs/dbraw/zinc/82/76/12/568827612.db2.gz	LGRIKFGJNSBYBF-UHFFFAOYSA-N	1	1	434.923	4.772	50	30		IJEAMO
C=CCOc1ccccc1CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000019229501	569316519	/nfs/dbraw/zinc/31/65/19/569316519.db2.gz	JNAIEDNSUZGXDU-NRFANRHFSA-N	1	1	438.641	4.609	50	30		IJEAMO
COc1cc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OCc1ccccc1	ZINC000020191283	569355566	/nfs/dbraw/zinc/35/55/66/569355566.db2.gz	JNRXJPOTHGUAMY-TURZUDJPSA-N	1	1	429.564	4.734	50	30		IJEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000012241585	518643781	/nfs/dbraw/zinc/64/37/81/518643781.db2.gz	YVQQZIFLHJAGKE-QTEQDKRBSA-N	1	1	438.641	4.925	50	30		IJEAMO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000035363872	524226476	/nfs/dbraw/zinc/22/64/76/524226476.db2.gz	MGHKTKFVTLEAEQ-OOZCZYHYSA-N	1	1	441.999	4.955	50	30	biogenic	IJEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169677994	568990601	/nfs/dbraw/zinc/99/06/01/568990601.db2.gz	CNVNWVGJKBALJK-XUZZJYLKSA-N	1	1	447.579	4.584	50	30		IJEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC	ZINC000036308422	518303702	/nfs/dbraw/zinc/30/37/02/518303702.db2.gz	CNVNWVGJKBALJK-URXFXBBRSA-N	1	1	447.579	4.584	50	30		IJEAMO
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@@H+](CC)C3	ZINC000012878808	518625994	/nfs/dbraw/zinc/62/59/94/518625994.db2.gz	BEODKTJMSUKQNT-UHFFFAOYSA-N	1	1	427.595	4.502	50	30		IJEAMO
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@H+](CC)C3	ZINC000012878808	518626001	/nfs/dbraw/zinc/62/60/01/518626001.db2.gz	BEODKTJMSUKQNT-UHFFFAOYSA-N	1	1	427.595	4.502	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306452	518985612	/nfs/dbraw/zinc/98/56/12/518985612.db2.gz	UJJDFKJPEGAFQS-QHCPKHFHSA-N	1	1	447.579	4.716	50	30		IJEAMO
CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055271637	521353151	/nfs/dbraw/zinc/35/31/51/521353151.db2.gz	XPTPHHDLOYGETJ-SANMLTNESA-N	1	1	439.621	4.649	50	30		IJEAMO
C[C@H](NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2)c1ccccc1	ZINC000012856669	524976781	/nfs/dbraw/zinc/97/67/81/524976781.db2.gz	JQCVUKBJLQLUPV-INIZCTEOSA-N	1	1	448.617	4.639	50	30		IJEAMO
CCN(CC)c1nc(NCc2ccccc2)c(C#N)c2c1C[N@H+](Cc1ccccc1)CC2	ZINC000013582750	556699416	/nfs/dbraw/zinc/69/94/16/556699416.db2.gz	PSLVROUZTCJRCX-UHFFFAOYSA-N	1	1	425.580	4.970	50	30		IJEAMO
CCN(CC)c1nc(NCc2ccccc2)c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000013582750	556699417	/nfs/dbraw/zinc/69/94/17/556699417.db2.gz	PSLVROUZTCJRCX-UHFFFAOYSA-N	1	1	425.580	4.970	50	30		IJEAMO
CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C#N)cc1	ZINC000004928446	557408984	/nfs/dbraw/zinc/40/89/84/557408984.db2.gz	ZIGDWFCAJPYQOY-UHFFFAOYSA-N	1	1	429.564	4.943	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@H]3C[C@@H]12	ZINC000035361001	568880498	/nfs/dbraw/zinc/88/04/98/568880498.db2.gz	QJALQDMFCVLXKM-XJJWBQLWSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1	ZINC000169677853	568990154	/nfs/dbraw/zinc/99/01/54/568990154.db2.gz	LJSRIWKWPPRQOD-XMMPIXPASA-N	1	1	449.595	4.754	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12	ZINC000008764306	569474634	/nfs/dbraw/zinc/47/46/34/569474634.db2.gz	KWBZASDHYSHVQB-HHEFNYPUSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1	ZINC000010101568	569577823	/nfs/dbraw/zinc/57/78/23/569577823.db2.gz	HRISSYUFZDIKGX-OAQYLSRUSA-N	1	1	439.943	4.585	50	30		IJEAMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1	ZINC000010101568	569577824	/nfs/dbraw/zinc/57/78/24/569577824.db2.gz	HRISSYUFZDIKGX-OAQYLSRUSA-N	1	1	439.943	4.585	50	30		IJEAMO
C=C(C)C[N@H+](CC)Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1	ZINC000012281547	518600361	/nfs/dbraw/zinc/60/03/61/518600361.db2.gz	MJBOEDVUCNKBDX-DEOSSOPVSA-N	1	1	449.982	4.946	50	30		IJEAMO
C=CCC[C@@H](O)C[N@@H+](CCC)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1	ZINC000036207783	518712897	/nfs/dbraw/zinc/71/28/97/518712897.db2.gz	UDLQBUNRYPOYTR-QGZVFWFLSA-N	1	1	431.989	4.844	50	30		IJEAMO
C=CCC[C@@H](O)C[N@H+](CCC)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1	ZINC000036207783	518712903	/nfs/dbraw/zinc/71/29/03/518712903.db2.gz	UDLQBUNRYPOYTR-QGZVFWFLSA-N	1	1	431.989	4.844	50	30		IJEAMO
CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)c1	ZINC000055072889	519782507	/nfs/dbraw/zinc/78/25/07/519782507.db2.gz	ZSTHWZOORCUSNL-HXUWFJFHSA-N	1	1	425.594	4.753	50	30		IJEAMO
[NH3+]CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681703	527161184	/nfs/dbraw/zinc/16/11/84/527161184.db2.gz	IHVFAVFXCUPMEN-UHFFFAOYSA-N	1	1	449.104	4.955	50	30		IJEAMO
N#Cc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1	ZINC000023983039	557389730	/nfs/dbraw/zinc/38/97/30/557389730.db2.gz	BFZUPUBLFGRZNT-UHFFFAOYSA-N	1	1	429.524	4.691	50	30		IJEAMO
C[N@H+]1CCC[C@@H](COC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000083877864	568784312	/nfs/dbraw/zinc/78/43/12/568784312.db2.gz	FRWBENNIVCMOIL-CVDCTZTESA-N	1	1	446.469	4.777	50	30		IJEAMO
COc1cc(C)c(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(C)c1C	ZINC000020111962	569334551	/nfs/dbraw/zinc/33/45/51/569334551.db2.gz	OXULUIQMTVJPRG-CQQBXOTJSA-N	1	1	437.536	4.559	50	30	biogenic	IJEAMO
COc1cc(C)c(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(C)c1C	ZINC000020111962	569334552	/nfs/dbraw/zinc/33/45/52/569334552.db2.gz	OXULUIQMTVJPRG-CQQBXOTJSA-N	1	1	437.536	4.559	50	30	biogenic	IJEAMO
CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000012711683	523203507	/nfs/dbraw/zinc/20/35/07/523203507.db2.gz	FCINJIMQCGNKBO-OAQYLSRUSA-N	1	1	445.072	4.910	50	30		IJEAMO
O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000022918497	526949647	/nfs/dbraw/zinc/94/96/47/526949647.db2.gz	NKTYLOOORIKWTM-FVDSYPCUSA-N	1	1	444.966	4.583	50	30		IJEAMO
Cc1cc(Br)ccc1OCC(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl	ZINC000016193404	556589319	/nfs/dbraw/zinc/58/93/19/556589319.db2.gz	FPZOOONXTVDAII-UHFFFAOYSA-N	1	1	446.128	4.501	50	30		IJEAMO
C[N@H+]1CCC[C@@H](COC(=O)Cc2ccc(OCC#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000107352944	557535468	/nfs/dbraw/zinc/53/54/68/557535468.db2.gz	FRWBENNIVCMOIL-WMZHIEFXSA-N	1	1	446.469	4.777	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104983179	568623893	/nfs/dbraw/zinc/62/38/93/568623893.db2.gz	CMAYANNPZMFRJI-FGZHOGPDSA-N	1	1	449.378	4.552	50	30		IJEAMO
Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000014980411	568827907	/nfs/dbraw/zinc/82/79/07/568827907.db2.gz	FLSYLIURCYTTJC-LJQANCHMSA-N	1	1	442.600	4.949	50	30		IJEAMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	ZINC000328596496	569317852	/nfs/dbraw/zinc/31/78/52/569317852.db2.gz	WPHLSFAQXCMEDD-LJQANCHMSA-N	1	1	433.662	4.995	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5ccc(OC)cc5)[C@@H](C)C4)[C@H]3C[C@H]12	ZINC000061992874	518663893	/nfs/dbraw/zinc/66/38/93/518663893.db2.gz	NXYQZNKEFFIDPK-IGKJQPKHSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=CCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1	ZINC000036315996	518715761	/nfs/dbraw/zinc/71/57/61/518715761.db2.gz	CDTFSQLLGVDMQY-HSZRJFAPSA-N	1	1	449.595	4.963	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C	ZINC000036316030	518986307	/nfs/dbraw/zinc/98/63/07/518986307.db2.gz	WPVDFAKUJMOHSC-QHCPKHFHSA-N	1	1	449.595	4.962	50	30		IJEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)s1	ZINC000012476453	519329213	/nfs/dbraw/zinc/32/92/13/519329213.db2.gz	CHNDWBVXUPYHJS-GOSISDBHSA-N	1	1	428.573	4.641	50	30		IJEAMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1	ZINC000089368959	524532040	/nfs/dbraw/zinc/53/20/40/524532040.db2.gz	DZCVSLOCAWIXSS-IBGZPJMESA-N	1	1	428.536	4.601	50	30		IJEAMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1	ZINC000089368959	524532048	/nfs/dbraw/zinc/53/20/48/524532048.db2.gz	DZCVSLOCAWIXSS-IBGZPJMESA-N	1	1	428.536	4.601	50	30		IJEAMO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000082051424	525345971	/nfs/dbraw/zinc/34/59/71/525345971.db2.gz	QCNKAZWHIYYSCC-WIAZEZMVSA-N	1	1	441.999	4.956	50	30	biogenic	IJEAMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccccc1N1CCCC1	ZINC000012569108	526174628	/nfs/dbraw/zinc/17/46/28/526174628.db2.gz	WUJXZAKIYFAWPO-GOSISDBHSA-N	1	1	436.625	4.948	50	30		IJEAMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccccc1N1CCCC1	ZINC000012569108	526174634	/nfs/dbraw/zinc/17/46/34/526174634.db2.gz	WUJXZAKIYFAWPO-GOSISDBHSA-N	1	1	436.625	4.948	50	30		IJEAMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1	ZINC000014929512	557122621	/nfs/dbraw/zinc/12/26/21/557122621.db2.gz	SJUWTMVSXJHUAL-VWLOTQADSA-N	1	1	442.563	4.809	50	30		IJEAMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1	ZINC000014929512	557122626	/nfs/dbraw/zinc/12/26/26/557122626.db2.gz	SJUWTMVSXJHUAL-VWLOTQADSA-N	1	1	442.563	4.809	50	30		IJEAMO
C=CCC1(O)[C@H](C)[C@H](c2cc(OC)ccc2OC)[NH2+][C@@H](c2cc(OC)ccc2OC)[C@H]1C	ZINC000022215445	568837083	/nfs/dbraw/zinc/83/70/83/568837083.db2.gz	BXFWZVIPUFEVJH-PXHMUHRZSA-N	1	1	441.568	4.686	50	30		IJEAMO
C[NH+](C)[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccc(F)cc1F	ZINC000238899658	569137726	/nfs/dbraw/zinc/13/77/26/569137726.db2.gz	GYUQCLONIROPKZ-CQSZACIVSA-N	1	1	437.244	4.562	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12	ZINC000012896946	518661976	/nfs/dbraw/zinc/66/19/76/518661976.db2.gz	KWBZASDHYSHVQB-JJMAVDFTSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@H]4C)[C@H]3C[C@@H]12	ZINC000012874013	518662102	/nfs/dbraw/zinc/66/21/02/518662102.db2.gz	KWBZASDHYSHVQB-ZJCPUWJZSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308081	518993135	/nfs/dbraw/zinc/99/31/35/518993135.db2.gz	UCVAHBPUYLOFQB-HSZRJFAPSA-N	1	1	449.595	4.901	50	30		IJEAMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1	ZINC000012809819	524407803	/nfs/dbraw/zinc/40/78/03/524407803.db2.gz	HHLKOAPBNPNOJH-HSZRJFAPSA-N	1	1	433.552	4.549	50	30		IJEAMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1	ZINC000012809819	524407809	/nfs/dbraw/zinc/40/78/09/524407809.db2.gz	HHLKOAPBNPNOJH-HSZRJFAPSA-N	1	1	433.552	4.549	50	30		IJEAMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1	ZINC000014929514	556459034	/nfs/dbraw/zinc/45/90/34/556459034.db2.gz	SJUWTMVSXJHUAL-RUZDIDTESA-N	1	1	442.563	4.809	50	30		IJEAMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1	ZINC000014929514	556459039	/nfs/dbraw/zinc/45/90/39/556459039.db2.gz	SJUWTMVSXJHUAL-RUZDIDTESA-N	1	1	442.563	4.809	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000020206813	568855868	/nfs/dbraw/zinc/85/58/68/568855868.db2.gz	PTXVBTPRRDCKBR-JOCHJYFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1	ZINC000020206813	568855869	/nfs/dbraw/zinc/85/58/69/568855869.db2.gz	PTXVBTPRRDCKBR-JOCHJYFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1	ZINC000020206813	568855871	/nfs/dbraw/zinc/85/58/71/568855871.db2.gz	PTXVBTPRRDCKBR-JOCHJYFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
C=CC[C@@]1(O)[C@H](C)[C@H](c2cc(OC)ccc2OC)[NH2+][C@H](c2cc(OC)ccc2OC)[C@@H]1C	ZINC000239284692	568910908	/nfs/dbraw/zinc/91/09/08/568910908.db2.gz	BXFWZVIPUFEVJH-RFHDYNGLSA-N	1	1	441.568	4.686	50	30		IJEAMO
C[NH+](C)[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccc(F)cc1F	ZINC000238899655	569137715	/nfs/dbraw/zinc/13/77/15/569137715.db2.gz	GYUQCLONIROPKZ-AWEZNQCLSA-N	1	1	437.244	4.562	50	30		IJEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C	ZINC000036345870	518310701	/nfs/dbraw/zinc/31/07/01/518310701.db2.gz	KXFUWIIKEAKXCX-XMMPIXPASA-N	1	1	447.579	4.503	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036248929	518983167	/nfs/dbraw/zinc/98/31/67/518983167.db2.gz	HPTDTPLSOVLANW-QFIPXVFZSA-N	1	1	429.605	4.599	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccccc1	ZINC000036156245	518993813	/nfs/dbraw/zinc/99/38/13/518993813.db2.gz	BDTNETPEFKLYLV-XMMPIXPASA-N	1	1	447.579	4.508	50	30		IJEAMO
O/N=C1\C[C@H]2[NH2+][C@@H](c3ccccc3OCCOCCOc3ccccc32)[C@H]1c1ccccc1	ZINC000245256985	568914172	/nfs/dbraw/zinc/91/41/72/568914172.db2.gz	VKKWQGOIAYICRL-XBGLBBOQSA-N	1	1	444.531	4.864	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1	ZINC000036316061	518991492	/nfs/dbraw/zinc/99/14/92/518991492.db2.gz	BIDCQNMQIKYHDG-HSZRJFAPSA-N	1	1	449.595	4.963	50	30		IJEAMO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)C(=O)O[C@@H]1C2	ZINC000082051426	525348101	/nfs/dbraw/zinc/34/81/01/525348101.db2.gz	QCNKAZWHIYYSCC-YPROMPOGSA-N	1	1	441.999	4.956	50	30	biogenic	IJEAMO
C[NH+]1CCN([C@@H]2/C(=N\C3CCCCC3)N(c3ccccc3Cl)C(=S)C2(C)C)CC1	ZINC000022938510	556581512	/nfs/dbraw/zinc/58/15/12/556581512.db2.gz	PHFWHRMVACZCDR-YXQDFNCHSA-N	1	1	433.065	4.861	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12	ZINC000012654630	518661329	/nfs/dbraw/zinc/66/13/29/518661329.db2.gz	RTGZNAKHJPYKJA-CDBJWCCVSA-N	1	1	439.596	4.937	50	30	biogenic	IJEAMO
C=CCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306318	518716932	/nfs/dbraw/zinc/71/69/32/518716932.db2.gz	WJJFSWDMIMKFPR-HSZRJFAPSA-N	1	1	449.595	4.963	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036308276	518991402	/nfs/dbraw/zinc/99/14/02/518991402.db2.gz	CFZDGKMQTCAHKK-JOCHJYFZSA-N	1	1	435.568	4.655	50	30		IJEAMO
CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000055225997	521296020	/nfs/dbraw/zinc/29/60/20/521296020.db2.gz	DXRBVRPPHGJWOP-HHHXNRCGSA-N	1	1	448.651	4.594	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000055225997	521296026	/nfs/dbraw/zinc/29/60/26/521296026.db2.gz	DXRBVRPPHGJWOP-HHHXNRCGSA-N	1	1	448.651	4.594	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1	ZINC000229428342	557832231	/nfs/dbraw/zinc/83/22/31/557832231.db2.gz	PBBPPVVNHGVISJ-PKOBYXMFSA-N	1	1	429.611	4.671	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1	ZINC000229428342	557832233	/nfs/dbraw/zinc/83/22/33/557832233.db2.gz	PBBPPVVNHGVISJ-PKOBYXMFSA-N	1	1	429.611	4.671	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104985107	568623418	/nfs/dbraw/zinc/62/34/18/568623418.db2.gz	DTBGMLRLVKGLJD-VQTJNVASSA-N	1	1	449.378	4.552	50	30		IJEAMO
C[N@H+]1CCC[C@H](COC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000083877862	568784284	/nfs/dbraw/zinc/78/42/84/568784284.db2.gz	FRWBENNIVCMOIL-XXBNENTESA-N	1	1	446.469	4.777	50	30		IJEAMO
CC[NH+](CC)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1	ZINC000009273095	569518054	/nfs/dbraw/zinc/51/80/54/569518054.db2.gz	DTKNTHVILHOGAN-UHFFFAOYSA-N	1	1	437.503	4.637	50	30		IJEAMO
CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1	ZINC000012711680	523202875	/nfs/dbraw/zinc/20/28/75/523202875.db2.gz	FCINJIMQCGNKBO-NRFANRHFSA-N	1	1	445.072	4.910	50	30		IJEAMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1	ZINC000032829904	556416629	/nfs/dbraw/zinc/41/66/29/556416629.db2.gz	PIESZLUUUIIZGO-UHFFFAOYSA-N	1	1	439.928	4.566	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1	ZINC000229428328	557832271	/nfs/dbraw/zinc/83/22/71/557832271.db2.gz	PBBPPVVNHGVISJ-IEBWSBKVSA-N	1	1	429.611	4.671	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1	ZINC000229428328	557832272	/nfs/dbraw/zinc/83/22/72/557832272.db2.gz	PBBPPVVNHGVISJ-IEBWSBKVSA-N	1	1	429.611	4.671	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104985103	568623595	/nfs/dbraw/zinc/62/35/95/568623595.db2.gz	DTBGMLRLVKGLJD-WOJBJXKFSA-N	1	1	449.378	4.552	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@H]4C)[C@H]3C[C@H]12	ZINC000006623657	568941968	/nfs/dbraw/zinc/94/19/68/568941968.db2.gz	KWBZASDHYSHVQB-MGJIQXSQSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C(=N/c1nc2ccccc2n1CC[NH+]1CCOCC1)\c1ccc(OCc2ccccc2)cc1	ZINC000010058911	569151948	/nfs/dbraw/zinc/15/19/48/569151948.db2.gz	NLOQVHZHBPQQAG-VFCFBJKWSA-N	1	1	440.547	4.698	50	30		IJEAMO
CC(C)(C)c1ccc(C(=[NH2+])NOC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1	ZINC000008618089	556192819	/nfs/dbraw/zinc/19/28/19/556192819.db2.gz	DNEPBYHDEPHJOB-UHFFFAOYSA-N	1	1	430.430	4.666	50	30		IJEAMO
Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CC[NH+](C)CC3)/C2=N/C2CCCCC2)cc1	ZINC000022937240	556504999	/nfs/dbraw/zinc/50/49/99/556504999.db2.gz	RFMPPYYNFHWXFK-UPIHBEMDSA-N	1	1	436.644	4.639	50	30		IJEAMO
[O-]N=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2ccc(OCC[NH+]3CCCCC3)cc21	ZINC000001500287	562922397	/nfs/dbraw/zinc/92/23/97/562922397.db2.gz	DFKUDGSHKQMFLA-UHFFFAOYSA-N	1	1	449.595	4.623	50	30		IJEAMO
C=CCC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146711	518718535	/nfs/dbraw/zinc/71/85/35/518718535.db2.gz	KXVWLNHJRHJJMQ-FYYLOGMGSA-N	1	1	428.960	4.671	50	30		IJEAMO
C=CCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306320	518723160	/nfs/dbraw/zinc/72/31/60/518723160.db2.gz	WJJFSWDMIMKFPR-QHCPKHFHSA-N	1	1	449.595	4.963	50	30		IJEAMO
C[N@H+]1CCC[C@H](COC(=O)Cc2ccc(OCC#N)cc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000107352948	557455343	/nfs/dbraw/zinc/45/53/43/557455343.db2.gz	FRWBENNIVCMOIL-AUSIDOKSSA-N	1	1	446.469	4.777	50	30		IJEAMO
C=CC[N@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C	ZINC000022454243	563025606	/nfs/dbraw/zinc/02/56/06/563025606.db2.gz	LBLDMHBSVIVJPM-YZIHRLCOSA-N	1	1	435.612	4.544	50	30	in-vivo	IJEAMO
C=CCN1C[C@H](C)[N@H+]([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C	ZINC000022454243	563025607	/nfs/dbraw/zinc/02/56/07/563025607.db2.gz	LBLDMHBSVIVJPM-YZIHRLCOSA-N	1	1	435.612	4.544	50	30	in-vivo	IJEAMO
C=CCN1C[C@H](C)[N@@H+]([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C	ZINC000022454243	563025609	/nfs/dbraw/zinc/02/56/09/563025609.db2.gz	LBLDMHBSVIVJPM-YZIHRLCOSA-N	1	1	435.612	4.544	50	30	in-vivo	IJEAMO
Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(C#CCO)s4)C3)c2)c1	ZINC000015076350	568828085	/nfs/dbraw/zinc/82/80/85/568828085.db2.gz	UAUKZZTZNZNNSW-QHCPKHFHSA-N	1	1	444.600	4.918	50	30		IJEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(C#N)cc2C1	ZINC000019690965	569326342	/nfs/dbraw/zinc/32/63/42/569326342.db2.gz	LQJOQRJBWJQQQR-UHFFFAOYSA-N	1	1	441.771	4.632	50	30		IJEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1	ZINC000036345931	518297153	/nfs/dbraw/zinc/29/71/53/518297153.db2.gz	NSXSHNQUFISTRZ-DEOSSOPVSA-N	1	1	447.579	4.504	50	30		IJEAMO
CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)c1	ZINC000055072893	519782500	/nfs/dbraw/zinc/78/25/00/519782500.db2.gz	ZSTHWZOORCUSNL-FQEVSTJZSA-N	1	1	425.594	4.753	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000055132134	521296132	/nfs/dbraw/zinc/29/61/32/521296132.db2.gz	ZHNUEGQYVHAZLT-SANMLTNESA-N	1	1	436.615	4.725	50	30		IJEAMO
CCC[N@H+]1CC=C2C(C)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@@H]2C1	ZINC000108520508	557542930	/nfs/dbraw/zinc/54/29/30/557542930.db2.gz	BZHILYJWICFEAY-ZJSXRUAMSA-N	1	1	434.584	4.504	50	30		IJEAMO
C=CCOc1ccccc1CN1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000019229499	569316474	/nfs/dbraw/zinc/31/64/74/569316474.db2.gz	JNAIEDNSUZGXDU-OAQYLSRUSA-N	1	1	438.641	4.609	50	30		IJEAMO
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000008791137	569476161	/nfs/dbraw/zinc/47/61/61/569476161.db2.gz	QCNKAZWHIYYSCC-WCQONYCWSA-N	1	1	441.999	4.956	50	30	biogenic	IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC	ZINC000036248930	123245279	/nfs/dbraw/zinc/24/52/79/123245279.db2.gz	HPTDTPLSOVLANW-JOCHJYFZSA-N	1	1	429.605	4.599	50	30		IJEAMO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCCOC)Cc2ccc(OC)c(OC)c2)o1	ZINC000036167769	518587563	/nfs/dbraw/zinc/58/75/63/518587563.db2.gz	VOGVCFVBYVLDBM-UHFFFAOYSA-N	1	1	429.557	4.675	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036308273	518984386	/nfs/dbraw/zinc/98/43/86/518984386.db2.gz	CFZDGKMQTCAHKK-QFIPXVFZSA-N	1	1	435.568	4.655	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345895	518986139	/nfs/dbraw/zinc/98/61/39/518986139.db2.gz	CIFUIMNLGPTZSC-DEOSSOPVSA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345895	518986144	/nfs/dbraw/zinc/98/61/44/518986144.db2.gz	CIFUIMNLGPTZSC-DEOSSOPVSA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146578	518994690	/nfs/dbraw/zinc/99/46/90/518994690.db2.gz	DTBGMLRLVKGLJD-UXHICEINSA-N	1	1	449.378	4.552	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5cccc(OC)c5)[C@@H](C)C4)[C@H]3C[C@@H]12	ZINC000061991149	556763462	/nfs/dbraw/zinc/76/34/62/556763462.db2.gz	QJALQDMFCVLXKM-UODBOARSSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12	ZINC000017045527	569171739	/nfs/dbraw/zinc/17/17/39/569171739.db2.gz	RTGZNAKHJPYKJA-DNMPOPKSSA-N	1	1	439.596	4.937	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@H]3C[C@@H]12	ZINC000252694656	569210939	/nfs/dbraw/zinc/21/09/39/569210939.db2.gz	NXYQZNKEFFIDPK-XJJWBQLWSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306409	518987040	/nfs/dbraw/zinc/98/70/40/518987040.db2.gz	VSWJUMISZWCDQH-QHCPKHFHSA-N	1	1	449.595	4.962	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146557	518987918	/nfs/dbraw/zinc/98/79/18/518987918.db2.gz	CMAYANNPZMFRJI-VXKWHMMOSA-N	1	1	449.378	4.552	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304827	518994568	/nfs/dbraw/zinc/99/45/68/518994568.db2.gz	UCWGFHUOLCDQOF-XMMPIXPASA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304827	518994570	/nfs/dbraw/zinc/99/45/70/518994570.db2.gz	UCWGFHUOLCDQOF-XMMPIXPASA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOc1ccccc1C[N@H+]1CCOc2c(cc(-c3cccc(OC)n3)cc2OC)C1	ZINC000055252588	519069072	/nfs/dbraw/zinc/06/90/72/519069072.db2.gz	FAPRYODFWAKJRV-UHFFFAOYSA-N	1	1	432.520	4.725	50	30		IJEAMO
C=CCOc1ccccc1C[N@@H+]1CCOc2c(cc(-c3cccc(OC)n3)cc2OC)C1	ZINC000055252588	519069081	/nfs/dbraw/zinc/06/90/81/519069081.db2.gz	FAPRYODFWAKJRV-UHFFFAOYSA-N	1	1	432.520	4.725	50	30		IJEAMO
C=C[C@](C)(O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000105002810	557470172	/nfs/dbraw/zinc/47/01/72/557470172.db2.gz	IFLVZUKRBYZXMF-IGKIAQTJSA-N	1	1	447.579	4.891	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000020206809	568855981	/nfs/dbraw/zinc/85/59/81/568855981.db2.gz	PTXVBTPRRDCKBR-QFIPXVFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1	ZINC000020206809	568855984	/nfs/dbraw/zinc/85/59/84/568855984.db2.gz	PTXVBTPRRDCKBR-QFIPXVFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1	ZINC000020206809	568855987	/nfs/dbraw/zinc/85/59/87/568855987.db2.gz	PTXVBTPRRDCKBR-QFIPXVFZSA-N	1	1	442.644	4.786	50	30		IJEAMO
CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	ZINC000013134916	569311349	/nfs/dbraw/zinc/31/13/49/569311349.db2.gz	LKVYWCUCDKLUHT-UHFFFAOYSA-N	1	1	441.597	4.757	50	30		IJEAMO
N#CCn1c(C[NH2+][C@@H]2CCCc3ccccc32)nc2scc(-c3ccccc3)c2c1=O	ZINC000009170658	569509339	/nfs/dbraw/zinc/50/93/39/569509339.db2.gz	MZDNFIJCYVMFDF-OAQYLSRUSA-N	1	1	426.545	4.816	50	30		IJEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC	ZINC000036308418	518303161	/nfs/dbraw/zinc/30/31/61/518303161.db2.gz	CNVNWVGJKBALJK-QPPBQGQZSA-N	1	1	447.579	4.584	50	30		IJEAMO
C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccccc3)CC1)n2C/C=C\C	ZINC000035927729	519064375	/nfs/dbraw/zinc/06/43/75/519064375.db2.gz	QWNWZRCWUJTOAC-HYXAFXHYSA-N	1	1	429.564	4.740	50	30		IJEAMO
CCC[N@H+]1CC=C2C(C)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1	ZINC000095481012	519841750	/nfs/dbraw/zinc/84/17/50/519841750.db2.gz	BZHILYJWICFEAY-URXFXBBRSA-N	1	1	434.584	4.504	50	30		IJEAMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1	ZINC000012809828	524408229	/nfs/dbraw/zinc/40/82/29/524408229.db2.gz	HHLKOAPBNPNOJH-QHCPKHFHSA-N	1	1	433.552	4.549	50	30		IJEAMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1	ZINC000012809828	524408235	/nfs/dbraw/zinc/40/82/35/524408235.db2.gz	HHLKOAPBNPNOJH-QHCPKHFHSA-N	1	1	433.552	4.549	50	30		IJEAMO
C[C@@H](NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@@H+](C)CC2)c1ccccc1	ZINC000012856681	525125515	/nfs/dbraw/zinc/12/55/15/525125515.db2.gz	JQCVUKBJLQLUPV-MRXNPFEDSA-N	1	1	448.617	4.639	50	30		IJEAMO
[NH2+]=C(NOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(Cl)cc1	ZINC000008618093	556192827	/nfs/dbraw/zinc/19/28/27/556192827.db2.gz	TZGLBZZFTQLLLE-UHFFFAOYSA-N	1	1	443.212	4.675	50	30		IJEAMO
CCC[N@H+]1CC=C2C(C)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1	ZINC000108520513	557542906	/nfs/dbraw/zinc/54/29/06/557542906.db2.gz	BZHILYJWICFEAY-XUZZJYLKSA-N	1	1	434.584	4.504	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104983182	568623849	/nfs/dbraw/zinc/62/38/49/568623849.db2.gz	CMAYANNPZMFRJI-FCHUYYIVSA-N	1	1	449.378	4.552	50	30		IJEAMO
OCCC#Cc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000011821044	568820878	/nfs/dbraw/zinc/82/08/78/568820878.db2.gz	UVSALJDSJMSZIW-NDEPHWFRSA-N	1	1	445.651	4.862	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5ccc(OC)cc5)[C@@H](C)C4)[C@H]3C[C@@H]12	ZINC000008740467	569472871	/nfs/dbraw/zinc/47/28/71/569472871.db2.gz	NXYQZNKEFFIDPK-UODBOARSSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
N#CCn1c(C[NH2+][C@H]2CCCc3ccccc32)nc2scc(-c3ccccc3)c2c1=O	ZINC000009170664	569509298	/nfs/dbraw/zinc/50/92/98/569509298.db2.gz	MZDNFIJCYVMFDF-NRFANRHFSA-N	1	1	426.545	4.816	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1	ZINC000036306492	518984478	/nfs/dbraw/zinc/98/44/78/518984478.db2.gz	PKVUGGAUXLHVNB-QHCPKHFHSA-N	1	1	449.595	4.963	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036308557	518991165	/nfs/dbraw/zinc/99/11/65/518991165.db2.gz	XTRRDLDKKKWJIB-HSZRJFAPSA-N	1	1	435.568	4.749	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345896	518994725	/nfs/dbraw/zinc/99/47/25/518994725.db2.gz	CIFUIMNLGPTZSC-XMMPIXPASA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1	ZINC000036345896	518994727	/nfs/dbraw/zinc/99/47/27/518994727.db2.gz	CIFUIMNLGPTZSC-XMMPIXPASA-N	1	1	447.579	4.809	50	30		IJEAMO
C=C[C@@](C)(O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000036308856	519297440	/nfs/dbraw/zinc/29/74/40/519297440.db2.gz	IFLVZUKRBYZXMF-RPLLCQBOSA-N	1	1	447.579	4.891	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000055132137	521294973	/nfs/dbraw/zinc/29/49/73/521294973.db2.gz	ZHNUEGQYVHAZLT-AREMUKBSSA-N	1	1	436.615	4.725	50	30		IJEAMO
CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000055225993	521296679	/nfs/dbraw/zinc/29/66/79/521296679.db2.gz	DXRBVRPPHGJWOP-MHZLTWQESA-N	1	1	448.651	4.594	50	30		IJEAMO
CC[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1	ZINC000055225993	521296682	/nfs/dbraw/zinc/29/66/82/521296682.db2.gz	DXRBVRPPHGJWOP-MHZLTWQESA-N	1	1	448.651	4.594	50	30		IJEAMO
N#Cc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc43)CC1)C2	ZINC000247654071	557193539	/nfs/dbraw/zinc/19/35/39/557193539.db2.gz	OLWRVVHPJFLNPW-LSNLESRRSA-N	1	1	438.575	4.843	50	30	in-vitro	IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1	ZINC000100076995	557230260	/nfs/dbraw/zinc/23/02/60/557230260.db2.gz	WMTQEIHFGXCMFR-OHYPFYFLSA-N	1	1	438.575	4.546	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5ccc(OC)cc5)[C@H](C)C4)[C@H]3C[C@H]12	ZINC000061992873	518663149	/nfs/dbraw/zinc/66/31/49/518663149.db2.gz	NXYQZNKEFFIDPK-FJKKEWJSSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1	ZINC000036316060	518983384	/nfs/dbraw/zinc/98/33/84/518983384.db2.gz	BIDCQNMQIKYHDG-QHCPKHFHSA-N	1	1	449.595	4.963	50	30		IJEAMO
C=CCOc1c(Cl)cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OCC	ZINC000019805107	519003856	/nfs/dbraw/zinc/00/38/56/519003856.db2.gz	ZITNBAZCGDROED-UHFFFAOYSA-N	1	1	431.001	4.797	50	30		IJEAMO
CCCCCCCNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000059211785	520052876	/nfs/dbraw/zinc/05/28/76/520052876.db2.gz	GHXJDDZPSBWKHB-UHFFFAOYSA-N	1	1	449.639	4.787	50	30		IJEAMO
N#Cc1c(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)sc2c1CCCCC2	ZINC000022787686	526528450	/nfs/dbraw/zinc/52/84/50/526528450.db2.gz	UDXMAIKJIOAUAU-JXMROGBWSA-N	1	1	448.636	4.548	50	30		IJEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(C)c(Cl)c3)=[NH+]C)C2=O)cc1	ZINC000018175364	556685907	/nfs/dbraw/zinc/68/59/07/556685907.db2.gz	FDFHIPUMURZBEG-IBGZPJMESA-N	1	1	445.972	4.709	50	30		IJEAMO
C=CC[C@@]1(O)[C@H](C)[C@H](c2cc(OC)ccc2OC)[NH2+][C@H](c2cc(OC)ccc2OC)[C@H]1C	ZINC000239284690	568910931	/nfs/dbraw/zinc/91/09/31/568910931.db2.gz	BXFWZVIPUFEVJH-GXWAJFKWSA-N	1	1	441.568	4.686	50	30		IJEAMO
C=C[C@](C)(O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000230110762	569438198	/nfs/dbraw/zinc/43/81/98/569438198.db2.gz	IFLVZUKRBYZXMF-SQHAQQRYSA-N	1	1	447.579	4.891	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C	ZINC000036249908	518983284	/nfs/dbraw/zinc/98/32/84/518983284.db2.gz	GHADVQLYUVMBMH-QFIPXVFZSA-N	1	1	429.605	4.598	50	30		IJEAMO
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000012885716	525347805	/nfs/dbraw/zinc/34/78/05/525347805.db2.gz	QCNKAZWHIYYSCC-FAXZPQNASA-N	1	1	441.999	4.956	50	30	biogenic	IJEAMO
Cc1c(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)sc2nc(-c3ccc(Cl)cc3)nn12	ZINC000012369841	525668633	/nfs/dbraw/zinc/66/86/33/525668633.db2.gz	YOQMCGIGBVJYNH-UHFFFAOYSA-N	1	1	446.319	4.550	50	30		IJEAMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1	ZINC000032829548	556416187	/nfs/dbraw/zinc/41/61/87/556416187.db2.gz	HUJUUERFQCFNHR-UHFFFAOYSA-N	1	1	439.928	4.566	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C(C)C	ZINC000036316031	518992354	/nfs/dbraw/zinc/99/23/54/518992354.db2.gz	WPVDFAKUJMOHSC-HSZRJFAPSA-N	1	1	449.595	4.962	50	30		IJEAMO
O=C(Nc1c2c([nH+]c3c1CCCC3)CCC2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000008453890	556184781	/nfs/dbraw/zinc/18/47/81/556184781.db2.gz	VNODCCGFILQIHH-UHFFFAOYSA-N	1	1	434.302	4.856	50	30		IJEAMO
COc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OCc1ccccc1	ZINC000015659422	556541273	/nfs/dbraw/zinc/54/12/73/556541273.db2.gz	BVFWMQLONHUWRT-USHMODERSA-N	1	1	429.564	4.734	50	30		IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1C	ZINC000096585589	557203380	/nfs/dbraw/zinc/20/33/80/557203380.db2.gz	IAYXEBWTZVCVRH-OHYPFYFLSA-N	1	1	438.575	4.546	50	30		IJEAMO
CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(C)c(Cl)c3)=[NH+]C)C2=O)cc1	ZINC000103297082	557314757	/nfs/dbraw/zinc/31/47/57/557314757.db2.gz	FDFHIPUMURZBEG-LJQANCHMSA-N	1	1	445.972	4.709	50	30		IJEAMO
C[N@H+]1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1	ZINC000019852674	563023280	/nfs/dbraw/zinc/02/32/80/563023280.db2.gz	KQHZOEMDUSISFN-UHFFFAOYSA-N	1	1	438.553	4.540	50	30		IJEAMO
C=CCC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104983237	568624016	/nfs/dbraw/zinc/62/40/16/568624016.db2.gz	KXVWLNHJRHJJMQ-JTHBVZDNSA-N	1	1	428.960	4.671	50	30		IJEAMO
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000020057562	569332750	/nfs/dbraw/zinc/33/27/50/569332750.db2.gz	FGTZBLWAVSVERW-UHFFFAOYSA-N	1	1	427.527	4.691	50	30		IJEAMO
CN(C)c1ccc(/C=[NH+]/Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCC4)cc1	ZINC000008934312	569487895	/nfs/dbraw/zinc/48/78/95/569487895.db2.gz	QLKWXINIEMDSJO-MFKUBSTISA-N	1	1	435.597	4.964	50	30		IJEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C	ZINC000036304775	518302242	/nfs/dbraw/zinc/30/22/42/518302242.db2.gz	WSWJHSJLOMTAOH-DEOSSOPVSA-N	1	1	447.579	4.503	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1	ZINC000036306454	518994347	/nfs/dbraw/zinc/99/43/47/518994347.db2.gz	UJJDFKJPEGAFQS-HSZRJFAPSA-N	1	1	447.579	4.716	50	30		IJEAMO
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@H]3O[C@@]312	ZINC000035363873	524227563	/nfs/dbraw/zinc/22/75/63/524227563.db2.gz	MGHKTKFVTLEAEQ-GBNBTVOXSA-N	1	1	441.999	4.955	50	30	biogenic	IJEAMO
COc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OCc1ccccc1	ZINC000020189818	556995991	/nfs/dbraw/zinc/99/59/91/556995991.db2.gz	BVFWMQLONHUWRT-TURZUDJPSA-N	1	1	429.564	4.734	50	30		IJEAMO
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(C#CCO)s4)C3)c2)c1	ZINC000015076348	568827853	/nfs/dbraw/zinc/82/78/53/568827853.db2.gz	UAUKZZTZNZNNSW-HSZRJFAPSA-N	1	1	444.600	4.918	50	30		IJEAMO
C=CC[C@@]1(O)[C@H](C)[C@H](c2cc(OC)ccc2OC)[NH2+][C@@H](c2cc(OC)ccc2OC)[C@@H]1C	ZINC000239284691	568910946	/nfs/dbraw/zinc/91/09/46/568910946.db2.gz	BXFWZVIPUFEVJH-KPCIKYAGSA-N	1	1	441.568	4.686	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1	ZINC000036249899	518983781	/nfs/dbraw/zinc/98/37/81/518983781.db2.gz	LJSRIWKWPPRQOD-DEOSSOPVSA-N	1	1	449.595	4.754	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304825	518986373	/nfs/dbraw/zinc/98/63/73/518986373.db2.gz	UCWGFHUOLCDQOF-DEOSSOPVSA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1	ZINC000036304825	518986378	/nfs/dbraw/zinc/98/63/78/518986378.db2.gz	UCWGFHUOLCDQOF-DEOSSOPVSA-N	1	1	447.579	4.809	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146556	518994266	/nfs/dbraw/zinc/99/42/66/518994266.db2.gz	CMAYANNPZMFRJI-YADHBBJMSA-N	1	1	449.378	4.552	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308479	518994657	/nfs/dbraw/zinc/99/46/57/518994657.db2.gz	XARZHEYZWPKPRX-HSZRJFAPSA-N	1	1	433.552	4.501	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1	ZINC000036308479	518994659	/nfs/dbraw/zinc/99/46/59/518994659.db2.gz	XARZHEYZWPKPRX-HSZRJFAPSA-N	1	1	433.552	4.501	50	30		IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1Br	ZINC000100152895	557337516	/nfs/dbraw/zinc/33/75/16/557337516.db2.gz	CZUWYHNGYAZSMD-QOHUBZANSA-N	1	1	426.358	4.914	50	30		IJEAMO
Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1Br	ZINC000100152895	557337520	/nfs/dbraw/zinc/33/75/20/557337520.db2.gz	CZUWYHNGYAZSMD-QOHUBZANSA-N	1	1	426.358	4.914	50	30		IJEAMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCc3nc4ccccc4s3)CC2)cc1	ZINC000023753215	557375243	/nfs/dbraw/zinc/37/52/43/557375243.db2.gz	ZKHOJCXWOWVLBN-UHFFFAOYSA-N	1	1	432.593	4.615	50	30		IJEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@H](C)CC	ZINC000105003586	557470319	/nfs/dbraw/zinc/47/03/19/557470319.db2.gz	CNVNWVGJKBALJK-ZJSXRUAMSA-N	1	1	447.579	4.584	50	30		IJEAMO
C=CCN1C[C@@H](C)[N@@H+]([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000019371672	563022726	/nfs/dbraw/zinc/02/27/26/563022726.db2.gz	KQWVAUSXZDRQPZ-XXAUWVGASA-N	1	1	449.639	4.847	50	30		IJEAMO
C=CC[N@@H+]1C[C@@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000019371672	563022727	/nfs/dbraw/zinc/02/27/27/563022727.db2.gz	KQWVAUSXZDRQPZ-XXAUWVGASA-N	1	1	449.639	4.847	50	30		IJEAMO
C=CC[N@H+]1C[C@@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000019371672	563022728	/nfs/dbraw/zinc/02/27/28/563022728.db2.gz	KQWVAUSXZDRQPZ-XXAUWVGASA-N	1	1	449.639	4.847	50	30		IJEAMO
OCCC#Cc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000011821045	568820762	/nfs/dbraw/zinc/82/07/62/568820762.db2.gz	UVSALJDSJMSZIW-MUUNZHRXSA-N	1	1	445.651	4.862	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12	ZINC000252694454	569210908	/nfs/dbraw/zinc/21/09/08/569210908.db2.gz	KWBZASDHYSHVQB-TWUCNHNTSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C	ZINC000036304778	518311193	/nfs/dbraw/zinc/31/11/93/518311193.db2.gz	WSWJHSJLOMTAOH-XMMPIXPASA-N	1	1	447.579	4.503	50	30		IJEAMO
C=CCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1	ZINC000036315997	518723567	/nfs/dbraw/zinc/72/35/67/518723567.db2.gz	CDTFSQLLGVDMQY-QHCPKHFHSA-N	1	1	449.595	4.963	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C	ZINC000036308077	518987340	/nfs/dbraw/zinc/98/73/40/518987340.db2.gz	UCVAHBPUYLOFQB-QHCPKHFHSA-N	1	1	449.595	4.901	50	30		IJEAMO
C[N@H+](Cc1ccccc1)C1(CNCc2ccc(C#CC(C)(C)O)s2)Cc2ccccc2C1	ZINC000020538283	523342022	/nfs/dbraw/zinc/34/20/22/523342022.db2.gz	PLWNLZXSXQYIJP-UHFFFAOYSA-N	1	1	444.644	4.630	50	30		IJEAMO
C[N@@H+](Cc1ccccc1)C1(CNCc2ccc(C#CC(C)(C)O)s2)Cc2ccccc2C1	ZINC000020538283	523342030	/nfs/dbraw/zinc/34/20/30/523342030.db2.gz	PLWNLZXSXQYIJP-UHFFFAOYSA-N	1	1	444.644	4.630	50	30		IJEAMO
N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3	ZINC000020827697	526478992	/nfs/dbraw/zinc/47/89/92/526478992.db2.gz	LLNBDJXAVBWGEV-UHFFFAOYSA-N	1	1	444.585	4.621	50	30		IJEAMO
N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3	ZINC000020827697	526478995	/nfs/dbraw/zinc/47/89/95/526478995.db2.gz	LLNBDJXAVBWGEV-UHFFFAOYSA-N	1	1	444.585	4.621	50	30		IJEAMO
COc1cc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OCc1ccccc1	ZINC000013895645	556328858	/nfs/dbraw/zinc/32/88/58/556328858.db2.gz	JNRXJPOTHGUAMY-USHMODERSA-N	1	1	429.564	4.734	50	30		IJEAMO
C=C(C)C[N@H+](CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1ccccc1	ZINC000012053268	568821225	/nfs/dbraw/zinc/82/12/25/568821225.db2.gz	KVQSVHFQYQJGHI-UHFFFAOYSA-N	1	1	437.565	4.662	50	30		IJEAMO
C=C(C)C[N@H+](CC)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1	ZINC000012281548	518600753	/nfs/dbraw/zinc/60/07/53/518600753.db2.gz	MJBOEDVUCNKBDX-XMMPIXPASA-N	1	1	449.982	4.946	50	30		IJEAMO
C=C[C@@](C)(O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000036308857	519299491	/nfs/dbraw/zinc/29/94/91/519299491.db2.gz	IFLVZUKRBYZXMF-SHQCIBLASA-N	1	1	447.579	4.891	50	30		IJEAMO
CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)s1	ZINC000012476448	519329486	/nfs/dbraw/zinc/32/94/86/519329486.db2.gz	CHNDWBVXUPYHJS-SFHVURJKSA-N	1	1	428.573	4.641	50	30		IJEAMO
CCC[N@H+]1CC=C2C(C)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OCC)c3)[C@@H]2C1	ZINC000095481011	519841990	/nfs/dbraw/zinc/84/19/90/519841990.db2.gz	BZHILYJWICFEAY-QPPBQGQZSA-N	1	1	434.584	4.504	50	30		IJEAMO
CCCOc1cc(OCCC)c(C#CC[NH+]2CCCCC2)cc1C#CCN1CCCCC1	ZINC000002896317	556149505	/nfs/dbraw/zinc/14/95/05/556149505.db2.gz	CSSVNXGJNGGIQG-UHFFFAOYSA-N	1	1	436.640	4.939	50	30		IJEAMO
Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CC[NH+](C)CC3)/C2=N/C2CCCCC2)cc1	ZINC000022937243	556505005	/nfs/dbraw/zinc/50/50/05/556505005.db2.gz	RFMPPYYNFHWXFK-ZUSYLBMNSA-N	1	1	436.644	4.639	50	30		IJEAMO
C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C	ZINC000104999497	568623911	/nfs/dbraw/zinc/62/39/11/568623911.db2.gz	GHADVQLYUVMBMH-JOCHJYFZSA-N	1	1	429.605	4.598	50	30		IJEAMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1	ZINC000010101571	569577836	/nfs/dbraw/zinc/57/78/36/569577836.db2.gz	HRISSYUFZDIKGX-NRFANRHFSA-N	1	1	439.943	4.585	50	30		IJEAMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cccc(Cl)c1	ZINC000010101571	569577837	/nfs/dbraw/zinc/57/78/37/569577837.db2.gz	HRISSYUFZDIKGX-NRFANRHFSA-N	1	1	439.943	4.585	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C	ZINC000036301586	123247328	/nfs/dbraw/zinc/24/73/28/123247328.db2.gz	XPJGRHXRRLTYEJ-JOCHJYFZSA-N	1	1	435.568	4.653	50	30		IJEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C	ZINC000036345869	518303926	/nfs/dbraw/zinc/30/39/26/518303926.db2.gz	KXFUWIIKEAKXCX-DEOSSOPVSA-N	1	1	447.579	4.503	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5cccc(OC)c5)[C@H](C)C4)[C@H]3C[C@H]12	ZINC000072324081	518662987	/nfs/dbraw/zinc/66/29/87/518662987.db2.gz	QJALQDMFCVLXKM-FJKKEWJSSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
C=CCN1C[C@@H](C)[N@@H+]([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000022028879	518870542	/nfs/dbraw/zinc/87/05/42/518870542.db2.gz	KQWVAUSXZDRQPZ-OREGWCPLSA-N	1	1	449.639	4.847	50	30		IJEAMO
C=CC[N@@H+]1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000022028879	518870548	/nfs/dbraw/zinc/87/05/48/518870548.db2.gz	KQWVAUSXZDRQPZ-OREGWCPLSA-N	1	1	449.639	4.847	50	30		IJEAMO
C=CC[N@H+]1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000022028879	518870557	/nfs/dbraw/zinc/87/05/57/518870557.db2.gz	KQWVAUSXZDRQPZ-OREGWCPLSA-N	1	1	449.639	4.847	50	30		IJEAMO
O/N=C1\C[C@H]2[NH2+][C@@H](c3ccccc3OCCOCCOc3ccccc32)[C@@H]1c1ccccc1	ZINC000015085765	556502296	/nfs/dbraw/zinc/50/22/96/556502296.db2.gz	VKKWQGOIAYICRL-RBQZNYSASA-N	1	1	444.531	4.864	50	30		IJEAMO
CCCc1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020079540	563023470	/nfs/dbraw/zinc/02/34/70/563023470.db2.gz	YYJPTKPEJFUGSQ-UHFFFAOYSA-N	1	1	427.527	4.773	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@H]4C)[C@H]3C[C@@H]12	ZINC000006623658	568941962	/nfs/dbraw/zinc/94/19/62/568941962.db2.gz	KWBZASDHYSHVQB-JPZIENGSSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@@H]12	ZINC000008740046	569472812	/nfs/dbraw/zinc/47/28/12/569472812.db2.gz	RTGZNAKHJPYKJA-JRACBGNKSA-N	1	1	439.596	4.937	50	30	biogenic	IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCN(c5cccc(OC)c5)[C@@H](C)C4)[C@H]3C[C@H]12	ZINC000072324082	518663617	/nfs/dbraw/zinc/66/36/17/518663617.db2.gz	QJALQDMFCVLXKM-IGKJQPKHSA-N	1	1	438.612	4.520	50	30	biogenic	IJEAMO
CCCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccc(C)c(C)c3)=[NH+]CC)C2=O)cc1	ZINC000102845443	557309242	/nfs/dbraw/zinc/30/92/42/557309242.db2.gz	ZKFHFBYZQZKNAQ-OAQYLSRUSA-N	1	1	439.581	4.755	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1	ZINC000079024405	569322773	/nfs/dbraw/zinc/32/27/73/569322773.db2.gz	PBBPPVVNHGVISJ-MJGOQNOKSA-N	1	1	429.611	4.671	50	30		IJEAMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1	ZINC000079024405	569322774	/nfs/dbraw/zinc/32/27/74/569322774.db2.gz	PBBPPVVNHGVISJ-MJGOQNOKSA-N	1	1	429.611	4.671	50	30		IJEAMO
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000019820534	569330019	/nfs/dbraw/zinc/33/00/19/569330019.db2.gz	AQKKYJNUARFOTD-UHFFFAOYSA-N	1	1	435.984	4.713	50	30		IJEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1	ZINC000036345932	518309136	/nfs/dbraw/zinc/30/91/36/518309136.db2.gz	NSXSHNQUFISTRZ-XMMPIXPASA-N	1	1	447.579	4.504	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)Cc1ccccc1	ZINC000036156247	518986762	/nfs/dbraw/zinc/98/67/62/518986762.db2.gz	BDTNETPEFKLYLV-DEOSSOPVSA-N	1	1	447.579	4.508	50	30		IJEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C	ZINC000036306412	518993324	/nfs/dbraw/zinc/99/33/24/518993324.db2.gz	VSWJUMISZWCDQH-HSZRJFAPSA-N	1	1	449.595	4.962	50	30		IJEAMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)Cc1ccccc1N1CCCC1	ZINC000012569109	524287405	/nfs/dbraw/zinc/28/74/05/524287405.db2.gz	WUJXZAKIYFAWPO-SFHVURJKSA-N	1	1	436.625	4.948	50	30		IJEAMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)Cc1ccccc1N1CCCC1	ZINC000012569109	524287413	/nfs/dbraw/zinc/28/74/13/524287413.db2.gz	WUJXZAKIYFAWPO-SFHVURJKSA-N	1	1	436.625	4.948	50	30		IJEAMO
Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=[NH2+])c1cccc(Br)c1	ZINC000016426710	556606849	/nfs/dbraw/zinc/60/68/49/556606849.db2.gz	LGBMBLKUBHMEAG-UHFFFAOYSA-N	1	1	434.677	4.543	50	30		IJEAMO
CCCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccc(C)c(C)c3)=[NH+]CC)C2=O)cc1	ZINC000018087471	556683698	/nfs/dbraw/zinc/68/36/98/556683698.db2.gz	ZKFHFBYZQZKNAQ-NRFANRHFSA-N	1	1	439.581	4.755	50	30		IJEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036308555	518984155	/nfs/dbraw/zinc/98/41/55/518984155.db2.gz	XTRRDLDKKKWJIB-QHCPKHFHSA-N	1	1	435.568	4.749	50	30		IJEAMO
COc1ccc(/C(C)=N\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC	ZINC000019850206	556930591	/nfs/dbraw/zinc/93/05/91/556930591.db2.gz	LSFPOUHQPHJMNY-HFTWOUSFSA-N	1	1	429.564	4.835	50	30		IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C)[C@H]3C[C@H]12	ZINC000025076700	568634524	/nfs/dbraw/zinc/63/45/24/568634524.db2.gz	RTGZNAKHJPYKJA-HPWLATBNSA-N	1	1	439.596	4.937	50	30		IJEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000011909999	568820896	/nfs/dbraw/zinc/82/08/96/568820896.db2.gz	YVQQZIFLHJAGKE-VIZSFHNOSA-N	1	1	438.641	4.925	50	30		IJEAMO
COc1cc(C)c(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(C)c1C	ZINC000020111965	569334627	/nfs/dbraw/zinc/33/46/27/569334627.db2.gz	OXULUIQMTVJPRG-QQUYBBDPSA-N	1	1	437.536	4.559	50	30	biogenic	IJEAMO
COc1cc(C)c(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(C)c1C	ZINC000020111965	569334628	/nfs/dbraw/zinc/33/46/28/569334628.db2.gz	OXULUIQMTVJPRG-QQUYBBDPSA-N	1	1	437.536	4.559	50	30	biogenic	IJEAMO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCc5cc(O)c(OC)cc5[C@H]4C)[C@H]3C[C@H]12	ZINC000012662011	518661883	/nfs/dbraw/zinc/66/18/83/518661883.db2.gz	KWBZASDHYSHVQB-AYHRVEBUSA-N	1	1	425.569	4.634	50	30	biogenic	IJEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C	ZINC000036301583	518985754	/nfs/dbraw/zinc/98/57/54/518985754.db2.gz	XPJGRHXRRLTYEJ-QFIPXVFZSA-N	1	1	435.568	4.653	50	30		IJEAMO