smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ccnc1C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12	ZINC000072342675	205329729	/nfs/dbraw/zinc/32/97/29/205329729.db2.gz	HKAQPWKSKYTNDL-UHFFFAOYSA-N	2	2	384.915	2.944	40	0		GFABLP
Cn1cc[nH+]c1CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12	ZINC000072342675	205329732	/nfs/dbraw/zinc/32/97/32/205329732.db2.gz	HKAQPWKSKYTNDL-UHFFFAOYSA-N	2	2	384.915	2.944	40	0		GFABLP
CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1	ZINC000072355549	205331602	/nfs/dbraw/zinc/33/16/02/205331602.db2.gz	RXEDHTRNMOASRV-KRWDZBQOSA-N	2	2	382.512	2.588	40	0		GFABLP
CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1	ZINC000072355549	205331605	/nfs/dbraw/zinc/33/16/05/205331605.db2.gz	RXEDHTRNMOASRV-KRWDZBQOSA-N	2	2	382.512	2.588	40	0		GFABLP
C[NH+]1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1	ZINC000049155314	560083891	/nfs/dbraw/zinc/08/38/91/560083891.db2.gz	AKLZESVJFFKJEF-IBGZPJMESA-N	2	2	391.479	2.820	40	0	biogenic,in-vitro	GFABLP
C[NH+]1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1	ZINC000049155314	560083892	/nfs/dbraw/zinc/08/38/92/560083892.db2.gz	AKLZESVJFFKJEF-IBGZPJMESA-N	2	2	391.479	2.820	40	0	biogenic,in-vitro	GFABLP
Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)[nH+]1	ZINC000329010064	563469540	/nfs/dbraw/zinc/46/95/40/563469540.db2.gz	LYPLIWAPYRHFGS-UHFFFAOYSA-N	2	2	390.329	3.084	40	0		GFABLP
Cc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NCCC[NH+](C)C)n2)c1	ZINC000329010237	570212136	/nfs/dbraw/zinc/21/21/36/570212136.db2.gz	MADPXPYSSXPWQA-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
Cc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NCCC[NH+](C)C)n2)c1	ZINC000329053222	570215259	/nfs/dbraw/zinc/21/52/59/570215259.db2.gz	VETBTWUBBYDADM-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cnn1C	ZINC000019715578	571037291	/nfs/dbraw/zinc/03/72/91/571037291.db2.gz	BEZWNEMGPUYTDM-AWEZNQCLSA-N	2	2	384.459	2.637	40	0		GFABLP
Cc1c(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cnn1C	ZINC000019715578	571037295	/nfs/dbraw/zinc/03/72/95/571037295.db2.gz	BEZWNEMGPUYTDM-AWEZNQCLSA-N	2	2	384.459	2.637	40	0		GFABLP
CC[N@H+](Cc1c(C)onc1-c1ccccc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1	ZINC000257242396	206165312	/nfs/dbraw/zinc/16/53/12/206165312.db2.gz	ICHIHKRZXVJKEI-NRFANRHFSA-N	2	2	394.479	2.820	40	0		GFABLP
CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1	ZINC000257242396	206165316	/nfs/dbraw/zinc/16/53/16/206165316.db2.gz	ICHIHKRZXVJKEI-NRFANRHFSA-N	2	2	394.479	2.820	40	0		GFABLP
C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)[nH+]1	ZINC000329002198	570211525	/nfs/dbraw/zinc/21/15/25/570211525.db2.gz	KGMLNPLQJYLLCO-UHFFFAOYSA-N	2	2	398.461	2.636	40	0		GFABLP
NC(=O)C[N@@H+]1CCCC[C@H]2C[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21	ZINC000585282525	570250438	/nfs/dbraw/zinc/25/04/38/570250438.db2.gz	FQPVIHBPPPRQGQ-ZPFZUWPUSA-N	2	2	399.579	2.737	40	0		GFABLP
NC(=O)C[N@H+]1CCCC[C@H]2C[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21	ZINC000585282525	570250440	/nfs/dbraw/zinc/25/04/40/570250440.db2.gz	FQPVIHBPPPRQGQ-ZPFZUWPUSA-N	2	2	399.579	2.737	40	0		GFABLP
NC(=O)C[NH+]1CCCC[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21	ZINC000585282525	570250441	/nfs/dbraw/zinc/25/04/41/570250441.db2.gz	FQPVIHBPPPRQGQ-ZPFZUWPUSA-N	2	2	399.579	2.737	40	0		GFABLP
NC(=O)C[NH+]1CCCC[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21	ZINC000585282525	570250443	/nfs/dbraw/zinc/25/04/43/570250443.db2.gz	FQPVIHBPPPRQGQ-ZPFZUWPUSA-N	2	2	399.579	2.737	40	0		GFABLP
C[N@@H+]1CCc2nc([C@H]3CCCC[NH+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590337	571017338	/nfs/dbraw/zinc/01/73/38/571017338.db2.gz	OUDRCGKXRVVLGI-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[N@H+]1CCc2nc([C@H]3CCCC[NH+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590337	571017341	/nfs/dbraw/zinc/01/73/41/571017341.db2.gz	OUDRCGKXRVVLGI-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590337	571017346	/nfs/dbraw/zinc/01/73/46/571017346.db2.gz	OUDRCGKXRVVLGI-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590337	571017348	/nfs/dbraw/zinc/01/73/48/571017348.db2.gz	OUDRCGKXRVVLGI-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c2cc(OC)ccc21	ZINC000019710972	571034841	/nfs/dbraw/zinc/03/48/41/571034841.db2.gz	OQOJKESJEKFFNS-MRXNPFEDSA-N	2	2	394.523	2.744	40	0		GFABLP
CCn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c2cc(OC)ccc21	ZINC000019710972	571034842	/nfs/dbraw/zinc/03/48/42/571034842.db2.gz	OQOJKESJEKFFNS-MRXNPFEDSA-N	2	2	394.523	2.744	40	0		GFABLP
CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1	ZINC000585270182	570239156	/nfs/dbraw/zinc/23/91/56/570239156.db2.gz	HUKZRHOWUQCKSQ-QFIPXVFZSA-N	2	2	385.508	2.570	40	0		GFABLP
CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cc1	ZINC000585270182	570239160	/nfs/dbraw/zinc/23/91/60/570239160.db2.gz	HUKZRHOWUQCKSQ-QFIPXVFZSA-N	2	2	385.508	2.570	40	0		GFABLP
C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21	ZINC000257290070	570488644	/nfs/dbraw/zinc/48/86/44/570488644.db2.gz	QBLLRXBAYLIGKI-QHCPKHFHSA-N	2	2	393.531	2.966	40	0		GFABLP
C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21	ZINC000257290070	570488647	/nfs/dbraw/zinc/48/86/47/570488647.db2.gz	QBLLRXBAYLIGKI-QHCPKHFHSA-N	2	2	393.531	2.966	40	0		GFABLP
CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2	ZINC000096056121	571098084	/nfs/dbraw/zinc/09/80/84/571098084.db2.gz	CPFPIXKMICEEKZ-UWJYYQICSA-N	2	2	384.549	2.950	40	0		GFABLP
CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2	ZINC000096056121	571098086	/nfs/dbraw/zinc/09/80/86/571098086.db2.gz	CPFPIXKMICEEKZ-UWJYYQICSA-N	2	2	384.549	2.950	40	0		GFABLP
Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@H+](CC4(O)CCOCC4)C3)cn2)n1C	ZINC000257223950	206162957	/nfs/dbraw/zinc/16/29/57/206162957.db2.gz	DZQJMDIUUBGDLH-IBGZPJMESA-N	2	2	384.524	2.587	40	0		GFABLP
Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@@H+](CC4(O)CCOCC4)C3)cn2)n1C	ZINC000257223950	206162960	/nfs/dbraw/zinc/16/29/60/206162960.db2.gz	DZQJMDIUUBGDLH-IBGZPJMESA-N	2	2	384.524	2.587	40	0		GFABLP
c1cncc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)[nH+]2)c1	ZINC000328999989	570211490	/nfs/dbraw/zinc/21/14/90/570211490.db2.gz	JXYISSKHGVJFSM-UHFFFAOYSA-N	2	2	380.540	2.929	40	0		GFABLP
C[NH+](C)CCCN1C[NH+]=C2N[C@@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1	ZINC000226313276	570954170	/nfs/dbraw/zinc/95/41/70/570954170.db2.gz	ORVHXKLXMVAFGK-YLJYHZDGSA-N	2	2	393.539	2.839	40	0		GFABLP
COc1ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)cc1Cn1cc[nH+]c1C	ZINC000019656818	571023844	/nfs/dbraw/zinc/02/38/44/571023844.db2.gz	LSXTUETWBFQFOB-UHFFFAOYSA-N	2	2	382.508	2.835	40	0		GFABLP
COc1ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)cc1Cn1cc[nH+]c1C	ZINC000019656818	571023846	/nfs/dbraw/zinc/02/38/46/571023846.db2.gz	LSXTUETWBFQFOB-UHFFFAOYSA-N	2	2	382.508	2.835	40	0		GFABLP
c1ccc2[nH+]c(C[C@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)[nH]c2c1	ZINC000019657873	571024541	/nfs/dbraw/zinc/02/45/41/571024541.db2.gz	RDBMPZKJVUTKEL-QGZVFWFLSA-N	2	2	392.507	2.644	40	0		GFABLP
c1ccc2[nH+]c(C[C@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)[nH]c2c1	ZINC000019657873	571024544	/nfs/dbraw/zinc/02/45/44/571024544.db2.gz	RDBMPZKJVUTKEL-QGZVFWFLSA-N	2	2	392.507	2.644	40	0		GFABLP
Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O	ZINC000257285754	206173974	/nfs/dbraw/zinc/17/39/74/206173974.db2.gz	PIQMRQVHGOQWFH-SFHLNBCPSA-N	2	2	381.480	2.544	40	0		GFABLP
CCn1cc([C@H](O)C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc21	ZINC000012222313	204385073	/nfs/dbraw/zinc/38/50/73/204385073.db2.gz	SWKCLWVICFVSTP-OAQYLSRUSA-N	2	2	379.508	2.924	40	0		GFABLP
Cc1ccc([C@@H](C)CC[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1	ZINC000247892784	206136081	/nfs/dbraw/zinc/13/60/81/206136081.db2.gz	GGFJRLASEJGKRN-CZTZKLFOSA-N	2	2	392.540	2.664	40	0		GFABLP
Cc1ccc([C@@H](C)CC[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1	ZINC000247892784	206136086	/nfs/dbraw/zinc/13/60/86/206136086.db2.gz	GGFJRLASEJGKRN-CZTZKLFOSA-N	2	2	392.540	2.664	40	0		GFABLP
O[C@@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2cccc[nH+]2)C1	ZINC000585271286	570239606	/nfs/dbraw/zinc/23/96/06/570239606.db2.gz	VZEQIWCXORUYJT-HSZRJFAPSA-N	2	2	390.487	2.787	40	0		GFABLP
O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1	ZINC000016740484	570932305	/nfs/dbraw/zinc/93/23/05/570932305.db2.gz	COGRUEARCLDUKV-UHFFFAOYSA-N	2	2	388.493	2.697	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2	ZINC000096056047	571098047	/nfs/dbraw/zinc/09/80/47/571098047.db2.gz	HVQAHSNQGHKAKQ-AVRDEDQJSA-N	2	2	380.492	2.758	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2	ZINC000096056047	571098048	/nfs/dbraw/zinc/09/80/48/571098048.db2.gz	HVQAHSNQGHKAKQ-AVRDEDQJSA-N	2	2	380.492	2.758	40	0		GFABLP
[NH3+][C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(Cc2ccccc2)CC1	ZINC000257304533	206177437	/nfs/dbraw/zinc/17/74/37/206177437.db2.gz	SMCIIAKCEOYZBY-LUKWVAJMSA-N	2	2	384.495	2.988	40	0		GFABLP
Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(S(=O)(=O)N(C)C)CC3)c2)[nH+]1	ZINC000257336232	206181752	/nfs/dbraw/zinc/18/17/52/206181752.db2.gz	YNPVIBFXVJLLJX-UHFFFAOYSA-N	2	2	389.525	2.823	40	0		GFABLP
O=C(c1cscn1)N1CCC2(C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1	ZINC000096202447	570219094	/nfs/dbraw/zinc/21/90/94/570219094.db2.gz	HVCRQUGREQHYNY-UHFFFAOYSA-N	2	2	396.560	2.956	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1	ZINC000022075716	570321716	/nfs/dbraw/zinc/32/17/16/570321716.db2.gz	GEBUBDWJNXUDKS-HNNXBMFYSA-N	2	2	378.900	2.988	40	0		GFABLP
CCc1[nH+]ccn1CC1(O)CC[NH+](CC(=O)c2c[nH]c3cc(C)ccc23)CC1	ZINC000019523620	207128622	/nfs/dbraw/zinc/12/86/22/207128622.db2.gz	BUSBVKSTJFLZOS-UHFFFAOYSA-N	2	2	380.492	2.945	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CC[C@@H]([NH+](C)C)C1)C[N@H+](Cc1ccccc1)CC2	ZINC000096147138	208273617	/nfs/dbraw/zinc/27/36/17/208273617.db2.gz	WSZGDTLVTVEXKN-LJQANCHMSA-N	2	2	395.551	2.798	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CC[C@@H]([NH+](C)C)C1)C[N@@H+](Cc1ccccc1)CC2	ZINC000096147138	208273624	/nfs/dbraw/zinc/27/36/24/208273624.db2.gz	WSZGDTLVTVEXKN-LJQANCHMSA-N	2	2	395.551	2.798	40	0		GFABLP
CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(Cc4c([nH+]c(N)nc4N)O3)CC2)cc1	ZINC000257246488	209060038	/nfs/dbraw/zinc/06/00/38/209060038.db2.gz	IUHNSSAYCMUEEV-OAQYLSRUSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(Cc4c([nH+]c(N)nc4N)O3)CC2)cc1	ZINC000257246488	209060042	/nfs/dbraw/zinc/06/00/42/209060042.db2.gz	IUHNSSAYCMUEEV-OAQYLSRUSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@@H+]2CCC[C@]3(Cc4c(nc(N)[nH+]c4N)O3)CC2)cc1	ZINC000257246488	209060044	/nfs/dbraw/zinc/06/00/44/209060044.db2.gz	IUHNSSAYCMUEEV-OAQYLSRUSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(Cc4c(nc(N)[nH+]c4N)O3)CC2)cc1	ZINC000257246488	209060046	/nfs/dbraw/zinc/06/00/46/209060046.db2.gz	IUHNSSAYCMUEEV-OAQYLSRUSA-N	2	2	383.496	2.788	40	0		GFABLP
Clc1ncccc1-c1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1	ZINC000013992514	570869011	/nfs/dbraw/zinc/86/90/11/570869011.db2.gz	POXXFUOLKONUNL-UHFFFAOYSA-N	2	2	391.903	2.719	40	0		GFABLP
c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1	ZINC000019711055	207151467	/nfs/dbraw/zinc/15/14/67/207151467.db2.gz	HMGFCMBLJKWMEQ-IBGZPJMESA-N	2	2	380.540	2.751	40	0		GFABLP
c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c1	ZINC000019711055	207151471	/nfs/dbraw/zinc/15/14/71/207151471.db2.gz	HMGFCMBLJKWMEQ-IBGZPJMESA-N	2	2	380.540	2.751	40	0		GFABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH+]1	ZINC000072374896	208010218	/nfs/dbraw/zinc/01/02/18/208010218.db2.gz	KCQPJLMELUILOE-INIZCTEOSA-N	2	2	389.525	2.823	40	0		GFABLP
CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cccnc1)CCC2	ZINC000096056035	208257770	/nfs/dbraw/zinc/25/77/70/208257770.db2.gz	AOHGXHAWFVSNQE-UNMCSNQZSA-N	2	2	383.492	2.952	40	0		GFABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1cccnc1)CCC2	ZINC000096056035	208257776	/nfs/dbraw/zinc/25/77/76/208257776.db2.gz	AOHGXHAWFVSNQE-UNMCSNQZSA-N	2	2	383.492	2.952	40	0		GFABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2	ZINC000096056035	208257781	/nfs/dbraw/zinc/25/77/81/208257781.db2.gz	AOHGXHAWFVSNQE-UNMCSNQZSA-N	2	2	383.492	2.952	40	0		GFABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2	ZINC000096056035	208257783	/nfs/dbraw/zinc/25/77/83/208257783.db2.gz	AOHGXHAWFVSNQE-UNMCSNQZSA-N	2	2	383.492	2.952	40	0		GFABLP
Cc1[nH+]c2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1	ZINC000257340115	209078837	/nfs/dbraw/zinc/07/88/37/209078837.db2.gz	ZEPWUCZNBPAULK-PMACEKPBSA-N	2	2	381.480	2.546	40	0		GFABLP
CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@@H]1O	ZINC000012483555	560212293	/nfs/dbraw/zinc/21/22/93/560212293.db2.gz	QKAFKKVUHTUHPF-FWKCKQQBSA-N	2	2	382.504	2.638	40	0	biogenic,in-vitro	GFABLP
CCn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c2cc(OC)ccc21	ZINC000019710973	207152649	/nfs/dbraw/zinc/15/26/49/207152649.db2.gz	OQOJKESJEKFFNS-INIZCTEOSA-N	2	2	394.523	2.744	40	0		GFABLP
CCn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c2cc(OC)ccc21	ZINC000019710973	207152653	/nfs/dbraw/zinc/15/26/53/207152653.db2.gz	OQOJKESJEKFFNS-INIZCTEOSA-N	2	2	394.523	2.744	40	0		GFABLP
CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c2ccc(F)cc21	ZINC000019711018	207153104	/nfs/dbraw/zinc/15/31/04/207153104.db2.gz	MFKQJTZALIJZEK-OAHLLOKOSA-N	2	2	382.487	2.875	40	0		GFABLP
CCn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c2ccc(F)cc21	ZINC000019711018	207153109	/nfs/dbraw/zinc/15/31/09/207153109.db2.gz	MFKQJTZALIJZEK-OAHLLOKOSA-N	2	2	382.487	2.875	40	0		GFABLP
O=c1nc2n(c3c1C[NH+](Cc1ccccc1)CC3)CC[C@@]21CC[N@H+](CC2CC2)C1	ZINC000306130466	209098993	/nfs/dbraw/zinc/09/89/93/209098993.db2.gz	JHHDIBHJEJQBPR-XMMPIXPASA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[NH+](Cc1ccccc1)CC3)CC[C@@]21CC[N@@H+](CC2CC2)C1	ZINC000306130466	209098997	/nfs/dbraw/zinc/09/89/97/209098997.db2.gz	JHHDIBHJEJQBPR-XMMPIXPASA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[N@H+](Cc1ccccc1)CC3)CC[C@@]21CC[NH+](CC2CC2)C1	ZINC000306130466	209099001	/nfs/dbraw/zinc/09/90/01/209099001.db2.gz	JHHDIBHJEJQBPR-XMMPIXPASA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[N@@H+](Cc1ccccc1)CC3)CC[C@@]21CC[NH+](CC2CC2)C1	ZINC000306130466	209099006	/nfs/dbraw/zinc/09/90/06/209099006.db2.gz	JHHDIBHJEJQBPR-XMMPIXPASA-N	2	2	390.531	2.559	40	0		GFABLP
C[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1	ZINC000096111835	209008403	/nfs/dbraw/zinc/00/84/03/209008403.db2.gz	ZPHCGUDEJVQXJF-FPOVZHCZSA-N	2	2	392.503	2.544	40	0	biogenic,in-vitro	GFABLP
C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1	ZINC000096111835	209008407	/nfs/dbraw/zinc/00/84/07/209008407.db2.gz	ZPHCGUDEJVQXJF-FPOVZHCZSA-N	2	2	392.503	2.544	40	0	biogenic,in-vitro	GFABLP
Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C[NH+](C)C)CCO3)c2)sc1C	ZINC000257290240	209068020	/nfs/dbraw/zinc/06/80/20/209068020.db2.gz	QCDBWLWNDFNTJP-KRWDZBQOSA-N	2	2	389.525	2.668	40	0		GFABLP
CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)c(Br)cc1OC	ZINC000013915710	551109430	/nfs/dbraw/zinc/10/94/30/551109430.db2.gz	AVNXVKOLEBPCDJ-UHFFFAOYSA-N	2	2	387.318	2.668	40	0		GFABLP
COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000328985295	570210900	/nfs/dbraw/zinc/21/09/00/570210900.db2.gz	HSGLODNGCVPMDT-UHFFFAOYSA-N	2	2	375.904	2.967	40	0		GFABLP
Cc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000329071184	206243741	/nfs/dbraw/zinc/24/37/41/206243741.db2.gz	ZNLJXNZBFNXXOG-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000020459607	207194574	/nfs/dbraw/zinc/19/45/74/207194574.db2.gz	RCTNHNUVBYLWOD-UHFFFAOYSA-N	2	2	390.487	2.943	40	0		GFABLP
CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCC[NH+](C)C)N(Cc1ccccc1)CC2	ZINC000096037534	208255050	/nfs/dbraw/zinc/25/50/50/208255050.db2.gz	HZRAPUVANZPMOD-OAQYLSRUSA-N	2	2	383.540	2.631	40	0		GFABLP
CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2	ZINC000096055963	208258680	/nfs/dbraw/zinc/25/86/80/208258680.db2.gz	XPPPHMCGAXXDBQ-RXVVDRJESA-N	2	2	378.488	2.549	40	0		GFABLP
CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2	ZINC000096055963	208258686	/nfs/dbraw/zinc/25/86/86/208258686.db2.gz	XPPPHMCGAXXDBQ-RXVVDRJESA-N	2	2	378.488	2.549	40	0		GFABLP
CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2	ZINC000096055963	208258691	/nfs/dbraw/zinc/25/86/91/208258691.db2.gz	XPPPHMCGAXXDBQ-RXVVDRJESA-N	2	2	378.488	2.549	40	0		GFABLP
CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2	ZINC000096055963	208258695	/nfs/dbraw/zinc/25/86/95/208258695.db2.gz	XPPPHMCGAXXDBQ-RXVVDRJESA-N	2	2	378.488	2.549	40	0		GFABLP
O=C(C[N@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1)NCc1ccccn1	ZINC000019715560	207153749	/nfs/dbraw/zinc/15/37/49/207153749.db2.gz	IIBHVGHBMRYYEV-OAHLLOKOSA-N	2	2	381.455	2.668	40	0		GFABLP
O=C(C[N@@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1)NCc1ccccn1	ZINC000019715560	207153752	/nfs/dbraw/zinc/15/37/52/207153752.db2.gz	IIBHVGHBMRYYEV-OAHLLOKOSA-N	2	2	381.455	2.668	40	0		GFABLP
CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](C2CC[NH+](C)CC2)CC1	ZINC000257217623	209058289	/nfs/dbraw/zinc/05/82/89/209058289.db2.gz	CZUREKRTDQJTDK-UHFFFAOYSA-N	2	2	387.553	2.667	40	0		GFABLP
C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccc(OC(F)(F)F)cc3)COC2)no1	ZINC000067897785	222167092	/nfs/dbraw/zinc/16/70/92/222167092.db2.gz	OVMXRKCLUWORMI-UHFFFAOYSA-N	2	2	385.386	2.736	40	0	biogenic,in-vitro	GFABLP
COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccccc3Cl)[C@@H]2O)cc1	ZINC000585262432	570715683	/nfs/dbraw/zinc/71/56/83/570715683.db2.gz	CMTIIMAROVARLH-LMCOJAPRSA-N	2	2	376.884	2.689	40	0		GFABLP
COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccccc3Cl)[C@@H]2O)cc1	ZINC000585262432	570715686	/nfs/dbraw/zinc/71/56/86/570715686.db2.gz	CMTIIMAROVARLH-LMCOJAPRSA-N	2	2	376.884	2.689	40	0		GFABLP
C[NH+](C)CCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)[nH+]1	ZINC000329003911	206240645	/nfs/dbraw/zinc/24/06/45/206240645.db2.gz	KPIBEBXRZBDFMT-UHFFFAOYSA-N	2	2	398.461	2.636	40	0		GFABLP
CNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329030658	206242509	/nfs/dbraw/zinc/24/25/09/206242509.db2.gz	QELOUEKSFAACEB-UHFFFAOYSA-N	2	2	395.429	2.729	40	0		GFABLP
C[NH+](C)CCCN1C[NH+]=C2NC3(CCCCC3)n3c4ccccc4nc3N2C1	ZINC000020676457	207210767	/nfs/dbraw/zinc/21/07/67/207210767.db2.gz	LFPQEMOCYHNCAO-UHFFFAOYSA-N	2	2	381.528	2.601	40	0		GFABLP
COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1	ZINC000072374275	208009414	/nfs/dbraw/zinc/00/94/14/208009414.db2.gz	OZSXNNSUYFVRRT-QGZVFWFLSA-N	2	2	397.523	2.859	40	0		GFABLP
CC(C)n1cnc2c1[C@@H](C(=O)N1CCC([NH+]3CCCC3)CC1)[N@H+](CC1CC1)CC2	ZINC000096265042	208297726	/nfs/dbraw/zinc/29/77/26/208297726.db2.gz	GYYQGROWOZODQD-QFIPXVFZSA-N	2	2	399.583	2.860	40	0		GFABLP
CC(C)n1cnc2c1[C@@H](C(=O)N1CCC([NH+]3CCCC3)CC1)[N@@H+](CC1CC1)CC2	ZINC000096265042	208297731	/nfs/dbraw/zinc/29/77/31/208297731.db2.gz	GYYQGROWOZODQD-QFIPXVFZSA-N	2	2	399.583	2.860	40	0		GFABLP
Cc1[nH+]c2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O	ZINC000257327264	209077346	/nfs/dbraw/zinc/07/73/46/209077346.db2.gz	XARWIOGRJIZICO-YFVAEKQCSA-N	2	2	381.480	2.592	40	0		GFABLP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1	ZINC000038771565	570583274	/nfs/dbraw/zinc/58/32/74/570583274.db2.gz	OUMQCTGNCPCHET-UHFFFAOYSA-N	2	2	390.487	2.943	40	0		GFABLP
CC[N@H+](Cc1c(C)onc1-c1ccccc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1	ZINC000257242397	570768418	/nfs/dbraw/zinc/76/84/18/570768418.db2.gz	ICHIHKRZXVJKEI-OAQYLSRUSA-N	2	2	394.479	2.820	40	0		GFABLP
CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1	ZINC000257242397	570768419	/nfs/dbraw/zinc/76/84/19/570768419.db2.gz	ICHIHKRZXVJKEI-OAQYLSRUSA-N	2	2	394.479	2.820	40	0		GFABLP
S=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCSCC1)Nc1ccccc1	ZINC000020503877	291123780	/nfs/dbraw/zinc/12/37/80/291123780.db2.gz	XIRPLXKNZDTNSI-JENIJYKNSA-N	2	2	390.622	2.732	40	0	biogenic,in-vitro	GFABLP
S=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCSCC1)Nc1ccccc1	ZINC000020503877	291123781	/nfs/dbraw/zinc/12/37/81/291123781.db2.gz	XIRPLXKNZDTNSI-JENIJYKNSA-N	2	2	390.622	2.732	40	0	biogenic,in-vitro	GFABLP
CCc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O	ZINC000257305313	212019176	/nfs/dbraw/zinc/01/91/76/212019176.db2.gz	SPJQCXFNCAWFGK-WOIUINJBSA-N	2	2	395.507	2.717	40	0		GFABLP
O=C(c1cscn1)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107249492	570309070	/nfs/dbraw/zinc/30/90/70/570309070.db2.gz	DZGUPYCGOPTRNK-YLJYHZDGSA-N	2	2	382.533	2.564	40	0		GFABLP
O=C(c1cscn1)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107249492	570309073	/nfs/dbraw/zinc/30/90/73/570309073.db2.gz	DZGUPYCGOPTRNK-YLJYHZDGSA-N	2	2	382.533	2.564	40	0		GFABLP
COc1cc2c(c(N[C@H](C)CCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1)[NH2+]CCC2	ZINC000004707129	570396328	/nfs/dbraw/zinc/39/63/28/570396328.db2.gz	OQUAFFGOYICMST-CQSZACIVSA-N	3	2	389.548	2.681	40	0		GFABLP
O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225586225	570591296	/nfs/dbraw/zinc/59/12/96/570591296.db2.gz	ZQINZDQKNYTMSI-UHFFFAOYSA-N	2	2	397.922	2.530	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)[C@H]1O	ZINC000257276453	212015703	/nfs/dbraw/zinc/01/57/03/212015703.db2.gz	NTUVYOZNFYSHQK-SFGWALBWSA-N	2	2	395.507	2.737	40	0		GFABLP
Cc1[nH+]c2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O	ZINC000257205168	212003841	/nfs/dbraw/zinc/00/38/41/212003841.db2.gz	AXXQLSNBIZSNFH-KCZVDYSFSA-N	2	2	395.507	2.935	40	0		GFABLP
CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000328997937	209156360	/nfs/dbraw/zinc/15/63/60/209156360.db2.gz	JQPQLPZEOBGBDE-UHFFFAOYSA-N	2	2	383.418	2.681	40	0		GFABLP
C[NH+](C)CCCN1C[NH+]=C2N[C@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1	ZINC000009262472	570774849	/nfs/dbraw/zinc/77/48/49/570774849.db2.gz	ORVHXKLXMVAFGK-PXNSSMCTSA-N	2	2	393.539	2.839	40	0		GFABLP
COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(Cl)c3)[C@@H]2O)cc1	ZINC000257329482	212026532	/nfs/dbraw/zinc/02/65/32/212026532.db2.gz	XKDUCLQVIXDSCH-ZRNYENFQSA-N	2	2	394.874	2.828	40	0		GFABLP
COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccc(F)c(Cl)c3)[C@@H]2O)cc1	ZINC000257329482	212026536	/nfs/dbraw/zinc/02/65/36/212026536.db2.gz	XKDUCLQVIXDSCH-ZRNYENFQSA-N	2	2	394.874	2.828	40	0		GFABLP
O=C(C[N@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1)NCc1ccccn1	ZINC000019715559	210285541	/nfs/dbraw/zinc/28/55/41/210285541.db2.gz	IIBHVGHBMRYYEV-HNNXBMFYSA-N	2	2	381.455	2.668	40	0		GFABLP
O=C(C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1)NCc1ccccn1	ZINC000019715559	210285542	/nfs/dbraw/zinc/28/55/42/210285542.db2.gz	IIBHVGHBMRYYEV-HNNXBMFYSA-N	2	2	381.455	2.668	40	0		GFABLP
COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1	ZINC000225466079	560043372	/nfs/dbraw/zinc/04/33/72/560043372.db2.gz	VMCJGJVESDYNQU-QGZVFWFLSA-N	2	2	379.570	2.980	40	0	biogenic,in-vitro	GFABLP
COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1	ZINC000225466079	560043373	/nfs/dbraw/zinc/04/33/73/560043373.db2.gz	VMCJGJVESDYNQU-QGZVFWFLSA-N	2	2	379.570	2.980	40	0	biogenic,in-vitro	GFABLP
CCn1cc([C@@H](O)C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc21	ZINC000012222312	570628003	/nfs/dbraw/zinc/62/80/03/570628003.db2.gz	SWKCLWVICFVSTP-NRFANRHFSA-N	2	2	379.508	2.924	40	0		GFABLP
CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1	ZINC000072374839	211104921	/nfs/dbraw/zinc/10/49/21/211104921.db2.gz	AYFLOVHWNQSKAC-KRWDZBQOSA-N	2	2	382.512	2.971	40	0		GFABLP
CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1	ZINC000072374839	211104927	/nfs/dbraw/zinc/10/49/27/211104927.db2.gz	AYFLOVHWNQSKAC-KRWDZBQOSA-N	2	2	382.512	2.971	40	0		GFABLP
CCn1c2ccc(-c3c[nH+]cn3[C@H](C)C[NH+]3CCOCC3)cc2n(CC)c1=O	ZINC000019719641	210288262	/nfs/dbraw/zinc/28/82/62/210288262.db2.gz	BELQRQVEGHQADC-MRXNPFEDSA-N	2	2	383.496	2.600	40	0		GFABLP
C[NH+](C)CCCN1C[NH+]=C2N[C@H]([C@@H]3CC=CCC3)n3c4ccccc4nc3N2C1	ZINC000226313280	570954337	/nfs/dbraw/zinc/95/43/37/570954337.db2.gz	ORVHXKLXMVAFGK-XLIONFOSSA-N	2	2	393.539	2.839	40	0		GFABLP
CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCCC[NH+](C)C)N(Cc1ccccc1)CC2	ZINC000096037535	211296020	/nfs/dbraw/zinc/29/60/20/211296020.db2.gz	HZRAPUVANZPMOD-NRFANRHFSA-N	2	2	383.540	2.631	40	0		GFABLP
CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1	ZINC000049169127	560084781	/nfs/dbraw/zinc/08/47/81/560084781.db2.gz	MLHQPXPDUXVXHR-AWEZNQCLSA-N	2	2	377.510	2.505	40	0	biogenic,in-vitro	GFABLP
CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1	ZINC000049169127	560084782	/nfs/dbraw/zinc/08/47/82/560084782.db2.gz	MLHQPXPDUXVXHR-AWEZNQCLSA-N	2	2	377.510	2.505	40	0	biogenic,in-vitro	GFABLP
Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)cn2)n1C	ZINC000257248595	212010863	/nfs/dbraw/zinc/01/08/63/212010863.db2.gz	JEJBEYFISGWSMC-IBGZPJMESA-N	2	2	395.551	2.913	40	0		GFABLP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)[nH+]1	ZINC000019698312	210280927	/nfs/dbraw/zinc/28/09/27/210280927.db2.gz	JGGMIRNUOUHQGK-NRFANRHFSA-N	2	2	396.539	2.966	40	0		GFABLP
C[NH+](C)CCNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1	ZINC000329064645	209159600	/nfs/dbraw/zinc/15/96/00/209159600.db2.gz	XKOHVEJRSZBWIZ-UHFFFAOYSA-N	2	2	376.302	2.775	40	0		GFABLP
C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589020	210271726	/nfs/dbraw/zinc/27/17/26/210271726.db2.gz	HTFJYYMRQCIOGV-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589020	210271728	/nfs/dbraw/zinc/27/17/28/210271728.db2.gz	HTFJYYMRQCIOGV-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589020	210271723	/nfs/dbraw/zinc/27/17/23/210271723.db2.gz	HTFJYYMRQCIOGV-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589020	210271725	/nfs/dbraw/zinc/27/17/25/210271725.db2.gz	HTFJYYMRQCIOGV-LJQANCHMSA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)CC1	ZINC000219249635	136204167	/nfs/dbraw/zinc/20/41/67/136204167.db2.gz	CDBAJJSGTJBCQM-UHFFFAOYSA-N	2	2	394.519	2.523	40	0		GFABLP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000038756099	570582611	/nfs/dbraw/zinc/58/26/11/570582611.db2.gz	ZDCFTTQEXGFIFP-UHFFFAOYSA-N	2	2	390.487	2.943	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[C@H]1O	ZINC000257228463	570764668	/nfs/dbraw/zinc/76/46/68/570764668.db2.gz	FTYWUBUNZZITDC-KCZVDYSFSA-N	2	2	395.507	2.853	40	0		GFABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1	ZINC000257321983	570781476	/nfs/dbraw/zinc/78/14/76/570781476.db2.gz	WEDUJNOCEOSWOW-LJQANCHMSA-N	2	2	390.491	2.678	40	0		GFABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1	ZINC000257321983	570781480	/nfs/dbraw/zinc/78/14/80/570781480.db2.gz	WEDUJNOCEOSWOW-LJQANCHMSA-N	2	2	390.491	2.678	40	0		GFABLP
CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCCCC2)cc1	ZINC000067870761	291120076	/nfs/dbraw/zinc/12/00/76/291120076.db2.gz	UGMVELZZZGAVCE-JAXLGGSGSA-N	2	2	384.568	2.679	40	0	biogenic,in-vitro	GFABLP
CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCCCC2)cc1	ZINC000067870761	291120080	/nfs/dbraw/zinc/12/00/80/291120080.db2.gz	UGMVELZZZGAVCE-JAXLGGSGSA-N	2	2	384.568	2.679	40	0	biogenic,in-vitro	GFABLP
CN1CC[N@H+](CC2CC2)C2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1=O	ZINC000096230295	570221587	/nfs/dbraw/zinc/22/15/87/570221587.db2.gz	GBLGLTKOVZMXGR-UHFFFAOYSA-N	2	2	379.907	2.998	40	0		GFABLP
CN1CC[N@@H+](CC2CC2)C2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1=O	ZINC000096230295	570221590	/nfs/dbraw/zinc/22/15/90/570221590.db2.gz	GBLGLTKOVZMXGR-UHFFFAOYSA-N	2	2	379.907	2.998	40	0		GFABLP
Cc1nc(C[N@@H+]2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)cs1	ZINC000096242425	570222852	/nfs/dbraw/zinc/22/28/52/570222852.db2.gz	WXNINALAKQNDFM-UHFFFAOYSA-N	2	2	398.576	2.889	40	0		GFABLP
Cc1nc(C[N@H+]2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)cs1	ZINC000096242425	570222857	/nfs/dbraw/zinc/22/28/57/570222857.db2.gz	WXNINALAKQNDFM-UHFFFAOYSA-N	2	2	398.576	2.889	40	0		GFABLP
CCc1ncc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cn1	ZINC000019523350	570995686	/nfs/dbraw/zinc/99/56/86/570995686.db2.gz	JTTGJPHSOZGMJV-UHFFFAOYSA-N	2	2	379.552	2.821	40	0		GFABLP
CCn1c(C)[nH+]c2cc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)ccc21	ZINC000019717434	571039457	/nfs/dbraw/zinc/03/94/57/571039457.db2.gz	LEGFYBOSHVTNQU-UHFFFAOYSA-N	2	2	392.507	2.910	40	0		GFABLP
C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O	ZINC000257279282	570774844	/nfs/dbraw/zinc/77/48/44/570774844.db2.gz	OFWWYYHEUZSNKM-ZRNYENFQSA-N	2	2	378.875	2.862	40	0		GFABLP
C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(Cl)c2)[C@@H]1O	ZINC000257279282	570774848	/nfs/dbraw/zinc/77/48/48/570774848.db2.gz	OFWWYYHEUZSNKM-ZRNYENFQSA-N	2	2	378.875	2.862	40	0		GFABLP
CC(C)[NH+]1CCC2(Cc3nc(=O)c4c(n3C2)CC[N@H+](Cc2ccccc2)C4)CC1	ZINC000306140501	570944788	/nfs/dbraw/zinc/94/47/88/570944788.db2.gz	UVEUCJWPUXMRME-UHFFFAOYSA-N	2	2	392.547	2.848	40	0		GFABLP
CC(C)[NH+]1CCC2(Cc3nc(=O)c4c(n3C2)CC[N@@H+](Cc2ccccc2)C4)CC1	ZINC000306140501	570944792	/nfs/dbraw/zinc/94/47/92/570944792.db2.gz	UVEUCJWPUXMRME-UHFFFAOYSA-N	2	2	392.547	2.848	40	0		GFABLP
C[NH+](C)CCNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1	ZINC000329066920	212095180	/nfs/dbraw/zinc/09/51/80/212095180.db2.gz	YEVMSKRZLRBRGU-UHFFFAOYSA-N	2	2	376.302	2.775	40	0		GFABLP
CCn1c2ccc(-c3c[nH+]cn3[C@@H](C)C[NH+]3CCOCC3)cc2n(CC)c1=O	ZINC000019719640	570210476	/nfs/dbraw/zinc/21/04/76/570210476.db2.gz	BELQRQVEGHQADC-INIZCTEOSA-N	2	2	383.496	2.600	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1Cl	ZINC000022075108	570321287	/nfs/dbraw/zinc/32/12/87/570321287.db2.gz	JAXOEZRYSLYOTA-OAHLLOKOSA-N	2	2	378.900	2.988	40	0		GFABLP
C[NH+](C)CCNc1nc(N2CCc3cc(Br)ccc3C2)cc[nH+]1	ZINC000329008468	212093889	/nfs/dbraw/zinc/09/38/89/212093889.db2.gz	LQRMWZJTPPNRBR-UHFFFAOYSA-N	2	2	376.302	2.775	40	0		GFABLP
COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c1	ZINC000329001493	212092153	/nfs/dbraw/zinc/09/21/53/212092153.db2.gz	KEXHCSLFYQLTMW-UHFFFAOYSA-N	2	2	391.519	2.972	40	0		GFABLP
C[NH+](C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1	ZINC000328960975	212091175	/nfs/dbraw/zinc/09/11/75/212091175.db2.gz	AZVIBVPUJGXZBX-UHFFFAOYSA-N	2	2	381.402	2.911	40	0		GFABLP
C[NH+](C)CCNc1nc(N2CCc3ccc(Br)cc3C2)cc[nH+]1	ZINC000328974796	212090069	/nfs/dbraw/zinc/09/00/69/212090069.db2.gz	FGQKCQGGAJQCHG-UHFFFAOYSA-N	2	2	376.302	2.775	40	0		GFABLP
C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)COC1CCCCC1	ZINC000257336215	570487183	/nfs/dbraw/zinc/48/71/83/570487183.db2.gz	YNOTWEWSPUEKDE-OAQYLSRUSA-N	2	2	376.541	2.661	40	0		GFABLP
C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)COC1CCCCC1	ZINC000257336215	570487187	/nfs/dbraw/zinc/48/71/87/570487187.db2.gz	YNOTWEWSPUEKDE-OAQYLSRUSA-N	2	2	376.541	2.661	40	0		GFABLP
Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)ccc2n1C1CCCCC1	ZINC000019663703	571026914	/nfs/dbraw/zinc/02/69/14/571026914.db2.gz	HWHIFHBWVXLIAC-INIZCTEOSA-N	2	2	397.523	2.986	40	0		GFABLP
Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C1CCCCC1	ZINC000019663703	571026916	/nfs/dbraw/zinc/02/69/16/571026916.db2.gz	HWHIFHBWVXLIAC-INIZCTEOSA-N	2	2	397.523	2.986	40	0		GFABLP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000030850015	570498133	/nfs/dbraw/zinc/49/81/33/570498133.db2.gz	LDEMNQCZOWOWRL-UHFFFAOYSA-N	2	2	390.487	2.943	40	0		GFABLP
Cc1[nH]c2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2[nH+]1	ZINC000257301673	570778574	/nfs/dbraw/zinc/77/85/74/570778574.db2.gz	RZIVBYJMROAGOH-GPMSIDNRSA-N	2	2	390.491	2.801	40	0		GFABLP
Cc1[nH]c2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2[nH+]1	ZINC000257301673	570778576	/nfs/dbraw/zinc/77/85/76/570778576.db2.gz	RZIVBYJMROAGOH-GPMSIDNRSA-N	2	2	390.491	2.801	40	0		GFABLP
c1cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)n(-c2cc[nH+]cc2)c1	ZINC000019338594	570976566	/nfs/dbraw/zinc/97/65/66/570976566.db2.gz	ZCMYJKBDJCRSBV-UHFFFAOYSA-N	2	2	391.519	2.992	40	0		GFABLP
Cc1c(C[NH+]2CCC3(CC2)Nc2cc(Cl)ccc2C2=[NH+]CCN23)cnn1C	ZINC000012086116	221147890	/nfs/dbraw/zinc/14/78/90/221147890.db2.gz	DIVNVFLAWFPGGY-UHFFFAOYSA-N	2	2	384.915	2.862	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1	ZINC000022075714	570321505	/nfs/dbraw/zinc/32/15/05/570321505.db2.gz	GEBUBDWJNXUDKS-OAHLLOKOSA-N	2	2	378.900	2.988	40	0		GFABLP
Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C[NH+](C)C)CCO3)c2)sc1C	ZINC000257290241	570776565	/nfs/dbraw/zinc/77/65/65/570776565.db2.gz	QCDBWLWNDFNTJP-QGZVFWFLSA-N	2	2	389.525	2.668	40	0		GFABLP
CCN(CC)C(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585102012	570928156	/nfs/dbraw/zinc/92/81/56/570928156.db2.gz	XXIYHRQGRCHKTR-NRFANRHFSA-N	2	2	396.535	2.969	40	0		GFABLP
CCN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585102012	570928157	/nfs/dbraw/zinc/92/81/57/570928157.db2.gz	XXIYHRQGRCHKTR-NRFANRHFSA-N	2	2	396.535	2.969	40	0		GFABLP
O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccn1-c1cc[nH+]cc1)C2	ZINC000019402346	570982673	/nfs/dbraw/zinc/98/26/73/570982673.db2.gz	XLRNBDMJSIXTJG-UHFFFAOYSA-N	2	2	384.443	2.576	40	0		GFABLP
O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccn1-c1cc[nH+]cc1)C2	ZINC000019402346	570982678	/nfs/dbraw/zinc/98/26/78/570982678.db2.gz	XLRNBDMJSIXTJG-UHFFFAOYSA-N	2	2	384.443	2.576	40	0		GFABLP
Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)[nH+]1	ZINC000328995863	563470066	/nfs/dbraw/zinc/47/00/66/563470066.db2.gz	JIUAVKCDKCMAAU-UHFFFAOYSA-N	2	2	390.329	3.084	40	0		GFABLP
CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O	ZINC000257277041	570774567	/nfs/dbraw/zinc/77/45/67/570774567.db2.gz	NWFSJUGBRPWDSD-SFGWALBWSA-N	2	2	395.507	2.765	40	0		GFABLP
CCn1c[nH+]cc1C[N@@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1	ZINC000072339410	205327850	/nfs/dbraw/zinc/32/78/50/205327850.db2.gz	GJCKIFAACUHQFV-UHFFFAOYSA-N	2	2	378.436	2.778	40	0		GFABLP
CCn1c[nH+]cc1C[N@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1	ZINC000072339410	205327851	/nfs/dbraw/zinc/32/78/51/205327851.db2.gz	GJCKIFAACUHQFV-UHFFFAOYSA-N	2	2	378.436	2.778	40	0		GFABLP
Cc1[nH+]cc(-c2cc(CC3CC[NH+](CC4(O)CCOCC4)CC3)ccn2)n1C	ZINC000257247878	206167141	/nfs/dbraw/zinc/16/71/41/206167141.db2.gz	JAYVBRUGTULSOB-UHFFFAOYSA-N	2	2	384.524	2.587	40	0		GFABLP
COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH+](C)C4)ncc3C2)cc1OC	ZINC000019588676	571016334	/nfs/dbraw/zinc/01/63/34/571016334.db2.gz	WXQCPDGJSUVQJL-KRWDZBQOSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH+](C)C4)ncc3C2)cc1OC	ZINC000019588676	571016335	/nfs/dbraw/zinc/01/63/35/571016335.db2.gz	WXQCPDGJSUVQJL-KRWDZBQOSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[NH+]2CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C2)cc1OC	ZINC000019588676	571016337	/nfs/dbraw/zinc/01/63/37/571016337.db2.gz	WXQCPDGJSUVQJL-KRWDZBQOSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[NH+]2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1OC	ZINC000019588676	571016338	/nfs/dbraw/zinc/01/63/38/571016338.db2.gz	WXQCPDGJSUVQJL-KRWDZBQOSA-N	2	2	382.508	2.861	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000019715540	571037179	/nfs/dbraw/zinc/03/71/79/571037179.db2.gz	QPMOBWMWZHMTAO-HNNXBMFYSA-N	2	2	398.486	2.946	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000019715540	571037180	/nfs/dbraw/zinc/03/71/80/571037180.db2.gz	QPMOBWMWZHMTAO-HNNXBMFYSA-N	2	2	398.486	2.946	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2	ZINC000096056048	571097921	/nfs/dbraw/zinc/09/79/21/571097921.db2.gz	OASQPVYPILFTSS-UGKGYDQZSA-N	2	2	380.492	2.758	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2	ZINC000096056048	571097925	/nfs/dbraw/zinc/09/79/25/571097925.db2.gz	OASQPVYPILFTSS-UGKGYDQZSA-N	2	2	380.492	2.758	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CC[C@H]([NH+](C)C)C1)C[N@H+](Cc1ccccc1)CC2	ZINC000096147137	570214208	/nfs/dbraw/zinc/21/42/08/570214208.db2.gz	WSZGDTLVTVEXKN-IBGZPJMESA-N	2	2	395.551	2.798	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CC[C@H]([NH+](C)C)C1)C[N@@H+](Cc1ccccc1)CC2	ZINC000096147137	570214210	/nfs/dbraw/zinc/21/42/10/570214210.db2.gz	WSZGDTLVTVEXKN-IBGZPJMESA-N	2	2	395.551	2.798	40	0		GFABLP
CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1	ZINC000585270180	570239073	/nfs/dbraw/zinc/23/90/73/570239073.db2.gz	HUKZRHOWUQCKSQ-JOCHJYFZSA-N	2	2	385.508	2.570	40	0		GFABLP
CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1	ZINC000585270180	570239075	/nfs/dbraw/zinc/23/90/75/570239075.db2.gz	HUKZRHOWUQCKSQ-JOCHJYFZSA-N	2	2	385.508	2.570	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccccc1Cl	ZINC000022075110	570321374	/nfs/dbraw/zinc/32/13/74/570321374.db2.gz	JAXOEZRYSLYOTA-HNNXBMFYSA-N	2	2	378.900	2.988	40	0		GFABLP
COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc([C@@H]4CCC[NH2+]4)ncc3C1)CO2	ZINC000019562263	571005830	/nfs/dbraw/zinc/00/58/30/571005830.db2.gz	LNMFEQOVCGWJOU-FQEVSTJZSA-N	2	2	378.476	2.744	40	0		GFABLP
COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc([C@@H]4CCC[NH2+]4)ncc3C1)CO2	ZINC000019562263	571005832	/nfs/dbraw/zinc/00/58/32/571005832.db2.gz	LNMFEQOVCGWJOU-FQEVSTJZSA-N	2	2	378.476	2.744	40	0		GFABLP
CCn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c2ccc(F)cc21	ZINC000019711019	571035039	/nfs/dbraw/zinc/03/50/39/571035039.db2.gz	MFKQJTZALIJZEK-HNNXBMFYSA-N	2	2	382.487	2.875	40	0		GFABLP
CCn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CC[NH2+]C4)C2)c2ccc(F)cc21	ZINC000019711019	571035044	/nfs/dbraw/zinc/03/50/44/571035044.db2.gz	MFKQJTZALIJZEK-HNNXBMFYSA-N	2	2	382.487	2.875	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c(C)[nH+]c3ccccc32)[C@H]1O	ZINC000257208351	206159574	/nfs/dbraw/zinc/15/95/74/206159574.db2.gz	BLUSDVXPEQPPEB-YFVAEKQCSA-N	2	2	381.480	2.511	40	0		GFABLP
CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)n1	ZINC000019719829	570210978	/nfs/dbraw/zinc/21/09/78/570210978.db2.gz	MVNHBXSGMNVMFE-INIZCTEOSA-N	2	2	380.496	2.981	40	0		GFABLP
CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)n1	ZINC000019719829	570210979	/nfs/dbraw/zinc/21/09/79/570210979.db2.gz	MVNHBXSGMNVMFE-INIZCTEOSA-N	2	2	380.496	2.981	40	0		GFABLP
CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCC[NH+]3CC(N)=O)CC1	ZINC000585284706	570253961	/nfs/dbraw/zinc/25/39/61/570253961.db2.gz	VJLBQEXHEHTEPC-PSHVLCQKSA-N	2	2	379.589	2.616	40	0		GFABLP
CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCC[NH+]3CC(N)=O)CC1	ZINC000585284706	570253965	/nfs/dbraw/zinc/25/39/65/570253965.db2.gz	VJLBQEXHEHTEPC-PSHVLCQKSA-N	2	2	379.589	2.616	40	0		GFABLP
CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CC[C@@H]3[C@H](C2)CCCC[N@@H+]3CC(N)=O)CC1	ZINC000585284706	570253967	/nfs/dbraw/zinc/25/39/67/570253967.db2.gz	VJLBQEXHEHTEPC-PSHVLCQKSA-N	2	2	379.589	2.616	40	0		GFABLP
CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CC[C@@H]3[C@H](C2)CCCC[N@H+]3CC(N)=O)CC1	ZINC000585284706	570253969	/nfs/dbraw/zinc/25/39/69/570253969.db2.gz	VJLBQEXHEHTEPC-PSHVLCQKSA-N	2	2	379.589	2.616	40	0		GFABLP
COc1ccc([C@H](O)C[NH+]2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O	ZINC000019496844	570989953	/nfs/dbraw/zinc/98/99/53/570989953.db2.gz	LPKQWLIJIUIFGD-OAQYLSRUSA-N	2	2	389.540	2.883	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000019654524	571022832	/nfs/dbraw/zinc/02/28/32/571022832.db2.gz	JGJNGTGAODDZHX-MRXNPFEDSA-N	2	2	380.496	2.806	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000019654524	571022834	/nfs/dbraw/zinc/02/28/34/571022834.db2.gz	JGJNGTGAODDZHX-MRXNPFEDSA-N	2	2	380.496	2.806	40	0		GFABLP
C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(O)c(C(F)(F)F)c3)C2)O1	ZINC000306123893	206197000	/nfs/dbraw/zinc/19/70/00/206197000.db2.gz	AZUUJBBHGHMEAF-QAPCUYQASA-N	2	2	388.430	2.723	40	0		GFABLP
C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(O)c(C(F)(F)F)c3)C2)O1	ZINC000306123893	206197005	/nfs/dbraw/zinc/19/70/05/206197005.db2.gz	AZUUJBBHGHMEAF-QAPCUYQASA-N	2	2	388.430	2.723	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1	ZINC000022075096	570321371	/nfs/dbraw/zinc/32/13/71/570321371.db2.gz	IPHJFHXJEDOLIZ-HNNXBMFYSA-N	2	2	378.900	2.988	40	0		GFABLP
CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1	ZINC000012116398	204372022	/nfs/dbraw/zinc/37/20/22/204372022.db2.gz	XLTSBSUEIFNQBU-GOSISDBHSA-N	2	2	383.540	2.873	40	0		GFABLP
CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC)CC1	ZINC000012116398	204372026	/nfs/dbraw/zinc/37/20/26/204372026.db2.gz	XLTSBSUEIFNQBU-GOSISDBHSA-N	2	2	383.540	2.873	40	0		GFABLP
C[N@H+](Cc1cc(CC2([NH2+]Cc3cccnc3)COC2)no1)Cc1ccccc1	ZINC000067898127	560050034	/nfs/dbraw/zinc/05/00/34/560050034.db2.gz	BYRKSFRYFNGICA-UHFFFAOYSA-N	2	2	378.476	2.803	40	0	biogenic,in-vitro	GFABLP
C[N@@H+](Cc1cc(CC2([NH2+]Cc3cccnc3)COC2)no1)Cc1ccccc1	ZINC000067898127	560050036	/nfs/dbraw/zinc/05/00/36/560050036.db2.gz	BYRKSFRYFNGICA-UHFFFAOYSA-N	2	2	378.476	2.803	40	0	biogenic,in-vitro	GFABLP
Cc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NCCC[NH+](C)C)n2)cc1	ZINC000329067747	570216374	/nfs/dbraw/zinc/21/63/74/570216374.db2.gz	YKRGWELZGGJUSE-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
O=C(c1cscn1)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1	ZINC000096244899	570224255	/nfs/dbraw/zinc/22/42/55/570224255.db2.gz	DZGUPYCGOPTRNK-XLIONFOSSA-N	2	2	382.533	2.564	40	0		GFABLP
O=C(c1cscn1)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1	ZINC000096244899	570224258	/nfs/dbraw/zinc/22/42/58/570224258.db2.gz	DZGUPYCGOPTRNK-XLIONFOSSA-N	2	2	382.533	2.564	40	0		GFABLP
Cc1c(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cnn1C	ZINC000019715579	571037417	/nfs/dbraw/zinc/03/74/17/571037417.db2.gz	BEZWNEMGPUYTDM-CQSZACIVSA-N	2	2	384.459	2.637	40	0		GFABLP
Cc1c(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cnn1C	ZINC000019715579	571037421	/nfs/dbraw/zinc/03/74/21/571037421.db2.gz	BEZWNEMGPUYTDM-CQSZACIVSA-N	2	2	384.459	2.637	40	0		GFABLP
C[NH+](C)Cc1ccc(C[N@@H+]2CCc3c(nc4cc(C5CC5)[nH]n4c3=O)C2)cc1	ZINC000072339352	205327260	/nfs/dbraw/zinc/32/72/60/205327260.db2.gz	CSNNMNDPZRYKJZ-UHFFFAOYSA-N	2	2	377.492	2.932	40	0		GFABLP
C[NH+](C)Cc1ccc(C[N@H+]2CCc3c(nc4cc(C5CC5)[nH]n4c3=O)C2)cc1	ZINC000072339352	205327263	/nfs/dbraw/zinc/32/72/63/205327263.db2.gz	CSNNMNDPZRYKJZ-UHFFFAOYSA-N	2	2	377.492	2.932	40	0		GFABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1	ZINC000072374845	205338174	/nfs/dbraw/zinc/33/81/74/205338174.db2.gz	CKBTULRNXJXFLD-QGZVFWFLSA-N	2	2	380.496	2.725	40	0		GFABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1	ZINC000072374845	205338178	/nfs/dbraw/zinc/33/81/78/205338178.db2.gz	CKBTULRNXJXFLD-QGZVFWFLSA-N	2	2	380.496	2.725	40	0		GFABLP
Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@H+](CC4(O)CCOCC4)C3)cn2)n1C	ZINC000257223951	206162989	/nfs/dbraw/zinc/16/29/89/206162989.db2.gz	DZQJMDIUUBGDLH-LJQANCHMSA-N	2	2	384.524	2.587	40	0		GFABLP
Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@@H+](CC4(O)CCOCC4)C3)cn2)n1C	ZINC000257223951	206162993	/nfs/dbraw/zinc/16/29/93/206162993.db2.gz	DZQJMDIUUBGDLH-LJQANCHMSA-N	2	2	384.524	2.587	40	0		GFABLP
C[NH+](C)CCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1	ZINC000329063792	570216034	/nfs/dbraw/zinc/21/60/34/570216034.db2.gz	XFBKDQFHUDACKX-UHFFFAOYSA-N	2	2	381.402	2.911	40	0		GFABLP
COc1ccc([C@@H](O)C[NH+]2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O	ZINC000019496843	207125197	/nfs/dbraw/zinc/12/51/97/207125197.db2.gz	LPKQWLIJIUIFGD-NRFANRHFSA-N	2	2	389.540	2.883	40	0		GFABLP
C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589022	207141437	/nfs/dbraw/zinc/14/14/37/207141437.db2.gz	HTFJYYMRQCIOGV-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589022	207141441	/nfs/dbraw/zinc/14/14/41/207141441.db2.gz	HTFJYYMRQCIOGV-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589022	207141445	/nfs/dbraw/zinc/14/14/45/207141445.db2.gz	HTFJYYMRQCIOGV-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000019589022	207141448	/nfs/dbraw/zinc/14/14/48/207141448.db2.gz	HTFJYYMRQCIOGV-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1	ZINC000072374272	208008162	/nfs/dbraw/zinc/00/81/62/208008162.db2.gz	DXJQJNIBXVNVAJ-KRWDZBQOSA-N	2	2	397.523	2.859	40	0		GFABLP
CCN(CC)C(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585102013	570928054	/nfs/dbraw/zinc/92/80/54/570928054.db2.gz	XXIYHRQGRCHKTR-OAQYLSRUSA-N	2	2	396.535	2.969	40	0		GFABLP
CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585102013	570928058	/nfs/dbraw/zinc/92/80/58/570928058.db2.gz	XXIYHRQGRCHKTR-OAQYLSRUSA-N	2	2	396.535	2.969	40	0		GFABLP
C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)[nH+]1	ZINC000329026228	206240909	/nfs/dbraw/zinc/24/09/09/206240909.db2.gz	PKWLEZWDYYVRHL-UHFFFAOYSA-N	2	2	398.461	2.636	40	0		GFABLP
Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1	ZINC000019237543	207111874	/nfs/dbraw/zinc/11/18/74/207111874.db2.gz	WBRAYYRZNAYXHF-UHFFFAOYSA-N	2	2	377.492	2.984	40	0		GFABLP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1	ZINC000019658009	207144911	/nfs/dbraw/zinc/14/49/11/207144911.db2.gz	UECZSHHQJNQWLE-KRWDZBQOSA-N	3	2	380.496	2.737	40	0		GFABLP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1	ZINC000019658009	207144914	/nfs/dbraw/zinc/14/49/14/207144914.db2.gz	UECZSHHQJNQWLE-KRWDZBQOSA-N	3	2	380.496	2.737	40	0		GFABLP
c1ccc2[nH+]c(C[C@@H]3CCC[N@H+](Cc4ccnc(N5CCOCC5)n4)C3)[nH]c2c1	ZINC000019657871	207145811	/nfs/dbraw/zinc/14/58/11/207145811.db2.gz	RDBMPZKJVUTKEL-KRWDZBQOSA-N	2	2	392.507	2.644	40	0		GFABLP
c1ccc2[nH+]c(C[C@@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)[nH]c2c1	ZINC000019657871	207145816	/nfs/dbraw/zinc/14/58/16/207145816.db2.gz	RDBMPZKJVUTKEL-KRWDZBQOSA-N	2	2	392.507	2.644	40	0		GFABLP
CCn1cc(-c2cc(NC[C@H](c3ccccc3OC)[NH+](C)C)nc(N)[nH+]2)cn1	ZINC000019718025	207155576	/nfs/dbraw/zinc/15/55/76/207155576.db2.gz	XFTKKZRASWUCCW-QGZVFWFLSA-N	2	2	381.484	2.666	40	0		GFABLP
Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)[nH+]2)cn1	ZINC000019718040	207156289	/nfs/dbraw/zinc/15/62/89/207156289.db2.gz	HZZDJXRHZYKOKA-GOSISDBHSA-N	2	2	381.459	2.847	40	0		GFABLP
CCn1cc[nH+]c1[C@@H](Nc1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1COCC[C@@H]1O	ZINC000257297512	209071328	/nfs/dbraw/zinc/07/13/28/209071328.db2.gz	RHOGYYMYUGLQPT-AABGKKOBSA-N	2	2	381.480	2.948	40	0		GFABLP
O=C(c1cscn1)N1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107249488	570309139	/nfs/dbraw/zinc/30/91/39/570309139.db2.gz	DZGUPYCGOPTRNK-FXAWDEMLSA-N	2	2	382.533	2.564	40	0		GFABLP
O=C(c1cscn1)N1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107249488	570309143	/nfs/dbraw/zinc/30/91/43/570309143.db2.gz	DZGUPYCGOPTRNK-FXAWDEMLSA-N	2	2	382.533	2.564	40	0		GFABLP
Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)cc1	ZINC000012221686	570628041	/nfs/dbraw/zinc/62/80/41/570628041.db2.gz	ZHKBLBBUNMKWKG-UHFFFAOYSA-N	2	2	398.470	2.884	40	0		GFABLP
Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)cc1	ZINC000012221686	570628045	/nfs/dbraw/zinc/62/80/45/570628045.db2.gz	ZHKBLBBUNMKWKG-UHFFFAOYSA-N	2	2	398.470	2.884	40	0		GFABLP
CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(Cc4c([nH+]c(N)nc4N)O3)CC2)cc1	ZINC000257246487	209059238	/nfs/dbraw/zinc/05/92/38/209059238.db2.gz	IUHNSSAYCMUEEV-NRFANRHFSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(Cc4c([nH+]c(N)nc4N)O3)CC2)cc1	ZINC000257246487	209059242	/nfs/dbraw/zinc/05/92/42/209059242.db2.gz	IUHNSSAYCMUEEV-NRFANRHFSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]3(Cc4c(nc(N)[nH+]c4N)O3)CC2)cc1	ZINC000257246487	209059245	/nfs/dbraw/zinc/05/92/45/209059245.db2.gz	IUHNSSAYCMUEEV-NRFANRHFSA-N	2	2	383.496	2.788	40	0		GFABLP
CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(Cc4c(nc(N)[nH+]c4N)O3)CC2)cc1	ZINC000257246487	209059249	/nfs/dbraw/zinc/05/92/49/209059249.db2.gz	IUHNSSAYCMUEEV-NRFANRHFSA-N	2	2	383.496	2.788	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCn2c(C)[nH+]c3ccccc32)[C@H]1O	ZINC000257332065	209076912	/nfs/dbraw/zinc/07/69/12/209076912.db2.gz	XVOVONTYYWXICZ-KCZVDYSFSA-N	2	2	395.507	2.853	40	0		GFABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@H+](CC(c3ccccc3)c3ccccc3)C1)O2	ZINC000257237290	570766984	/nfs/dbraw/zinc/76/69/84/570766984.db2.gz	HFWDAXNWJIEMPK-HSZRJFAPSA-N	2	2	387.487	2.853	40	0		GFABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C1)O2	ZINC000257237290	570766987	/nfs/dbraw/zinc/76/69/87/570766987.db2.gz	HFWDAXNWJIEMPK-HSZRJFAPSA-N	2	2	387.487	2.853	40	0		GFABLP
CCOCCOc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1	ZINC000585270291	570239403	/nfs/dbraw/zinc/23/94/03/570239403.db2.gz	SWNOMQMBBSDXHO-FQEVSTJZSA-N	2	2	398.494	2.770	40	0		GFABLP
COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH+](C)C4)ncc3C2)cc1OC	ZINC000019588674	207142137	/nfs/dbraw/zinc/14/21/37/207142137.db2.gz	WXQCPDGJSUVQJL-QGZVFWFLSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH+](C)C4)ncc3C2)cc1OC	ZINC000019588674	207142141	/nfs/dbraw/zinc/14/21/41/207142141.db2.gz	WXQCPDGJSUVQJL-QGZVFWFLSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[NH+]2CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C2)cc1OC	ZINC000019588674	207142146	/nfs/dbraw/zinc/14/21/46/207142146.db2.gz	WXQCPDGJSUVQJL-QGZVFWFLSA-N	2	2	382.508	2.861	40	0		GFABLP
COc1ccc(C[NH+]2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1OC	ZINC000019588674	207142150	/nfs/dbraw/zinc/14/21/50/207142150.db2.gz	WXQCPDGJSUVQJL-QGZVFWFLSA-N	2	2	382.508	2.861	40	0		GFABLP
Cc1[nH+]ccn1CCC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1	ZINC000019657671	207146015	/nfs/dbraw/zinc/14/60/15/207146015.db2.gz	KFWBLKOXNIBDFW-UHFFFAOYSA-N	2	2	396.535	2.966	40	0		GFABLP
c1ccc(N2CCCCC2)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1	ZINC000019711054	207152624	/nfs/dbraw/zinc/15/26/24/207152624.db2.gz	HMGFCMBLJKWMEQ-LJQANCHMSA-N	2	2	380.540	2.751	40	0		GFABLP
c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@@H](c3nnc4n3CC[NH2+]C4)C2)c1	ZINC000019711054	207152627	/nfs/dbraw/zinc/15/26/27/207152627.db2.gz	HMGFCMBLJKWMEQ-LJQANCHMSA-N	2	2	380.540	2.751	40	0		GFABLP
CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1	ZINC000072374840	208010129	/nfs/dbraw/zinc/01/01/29/208010129.db2.gz	AYFLOVHWNQSKAC-QGZVFWFLSA-N	2	2	382.512	2.971	40	0		GFABLP
CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1	ZINC000072374840	208010131	/nfs/dbraw/zinc/01/01/31/208010131.db2.gz	AYFLOVHWNQSKAC-QGZVFWFLSA-N	2	2	382.512	2.971	40	0		GFABLP
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000038831772	570584637	/nfs/dbraw/zinc/58/46/37/570584637.db2.gz	HESZCRZZJDTXKK-UHFFFAOYSA-N	2	2	390.487	2.694	40	0		GFABLP
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1	ZINC000038831766	570584673	/nfs/dbraw/zinc/58/46/73/570584673.db2.gz	OXNZOOOOADLBMW-UHFFFAOYSA-N	2	2	390.487	2.694	40	0		GFABLP
CCN1CC[NH+](C2CCN(C(=O)Cn3c(C)[nH+]c4cc(C)c(C)cc43)CC2)CC1	ZINC000019528131	207130435	/nfs/dbraw/zinc/13/04/35/207130435.db2.gz	NMPQHCWGTYFTOD-UHFFFAOYSA-N	2	2	397.567	2.590	40	0		GFABLP
CC[NH+]1CCN(C2CCN(C(=O)Cn3c(C)[nH+]c4cc(C)c(C)cc43)CC2)CC1	ZINC000019528131	207130439	/nfs/dbraw/zinc/13/04/39/207130439.db2.gz	NMPQHCWGTYFTOD-UHFFFAOYSA-N	2	2	397.567	2.590	40	0		GFABLP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)[nH+]1	ZINC000019698311	207148916	/nfs/dbraw/zinc/14/89/16/207148916.db2.gz	JGGMIRNUOUHQGK-OAQYLSRUSA-N	2	2	396.539	2.966	40	0		GFABLP
CCn1cc(-c2cc(NC[C@@H](c3ccccc3OC)[NH+](C)C)nc(N)[nH+]2)cn1	ZINC000019718026	207155141	/nfs/dbraw/zinc/15/51/41/207155141.db2.gz	XFTKKZRASWUCCW-KRWDZBQOSA-N	2	2	381.484	2.666	40	0		GFABLP
CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1	ZINC000072355548	208001513	/nfs/dbraw/zinc/00/15/13/208001513.db2.gz	RXEDHTRNMOASRV-QGZVFWFLSA-N	2	2	382.512	2.588	40	0		GFABLP
CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1	ZINC000072355548	208001518	/nfs/dbraw/zinc/00/15/18/208001518.db2.gz	RXEDHTRNMOASRV-QGZVFWFLSA-N	2	2	382.512	2.588	40	0		GFABLP
CC(C)n1cnc2c1[C@H](C(=O)N1CCC([NH+]3CCCC3)CC1)[N@H+](CC1CC1)CC2	ZINC000096265041	208297994	/nfs/dbraw/zinc/29/79/94/208297994.db2.gz	GYYQGROWOZODQD-JOCHJYFZSA-N	2	2	399.583	2.860	40	0		GFABLP
CC(C)n1cnc2c1[C@H](C(=O)N1CCC([NH+]3CCCC3)CC1)[N@@H+](CC1CC1)CC2	ZINC000096265041	208297998	/nfs/dbraw/zinc/29/79/98/208297998.db2.gz	GYYQGROWOZODQD-JOCHJYFZSA-N	2	2	399.583	2.860	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)[C@H]1O	ZINC000257279090	209065796	/nfs/dbraw/zinc/06/57/96/209065796.db2.gz	OEZJUPHMILWQSS-YFVAEKQCSA-N	2	2	381.480	2.511	40	0		GFABLP
Cc1[nH+]c2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O	ZINC000257273668	209066310	/nfs/dbraw/zinc/06/63/10/209066310.db2.gz	NHQLKTUWLCWHQN-SFHLNBCPSA-N	2	2	381.480	2.544	40	0		GFABLP
[NH3+][C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[NH+]1CCC(Cc2ccccc2)CC1	ZINC000257340068	209078481	/nfs/dbraw/zinc/07/84/81/209078481.db2.gz	ZEHVCOMAVHRJSL-LGKPFJOYSA-N	2	2	384.495	2.988	40	0		GFABLP
C[NH+](C)CCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)[nH+]1	ZINC000329059538	206243577	/nfs/dbraw/zinc/24/35/77/206243577.db2.gz	WHMAJIJTZDGCHW-UHFFFAOYSA-N	2	2	398.461	2.636	40	0		GFABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1	ZINC000072374846	208007604	/nfs/dbraw/zinc/00/76/04/208007604.db2.gz	CKBTULRNXJXFLD-KRWDZBQOSA-N	2	2	380.496	2.725	40	0		GFABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1	ZINC000072374846	208007610	/nfs/dbraw/zinc/00/76/10/208007610.db2.gz	CKBTULRNXJXFLD-KRWDZBQOSA-N	2	2	380.496	2.725	40	0		GFABLP
CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2	ZINC000096056123	208258626	/nfs/dbraw/zinc/25/86/26/208258626.db2.gz	ARPKXXDPTQRGPP-RXVVDRJESA-N	2	2	384.549	2.950	40	0		GFABLP
CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2	ZINC000096056123	208258632	/nfs/dbraw/zinc/25/86/32/208258632.db2.gz	ARPKXXDPTQRGPP-RXVVDRJESA-N	2	2	384.549	2.950	40	0		GFABLP
O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1	ZINC000257256906	212013049	/nfs/dbraw/zinc/01/30/49/212013049.db2.gz	KNJFICSTNXDYMT-SFTDATJTSA-N	2	2	382.508	2.707	40	0		GFABLP
Cc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000329071909	209161249	/nfs/dbraw/zinc/16/12/49/209161249.db2.gz	ZTPFJVGKIJPBKH-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](CC4CCCCC4)CC3)cs2)C1	ZINC000225464870	560043410	/nfs/dbraw/zinc/04/34/10/560043410.db2.gz	JANYLXGIGDZVSM-QGZVFWFLSA-N	2	2	379.570	2.573	40	0	biogenic,in-vitro	GFABLP
O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](CC4CCCCC4)CC3)cs2)C1	ZINC000225464870	560043411	/nfs/dbraw/zinc/04/34/11/560043411.db2.gz	JANYLXGIGDZVSM-QGZVFWFLSA-N	2	2	379.570	2.573	40	0	biogenic,in-vitro	GFABLP
CCCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O	ZINC000257338760	212028072	/nfs/dbraw/zinc/02/80/72/212028072.db2.gz	YYWBZFDIHVZMIA-WOIUINJBSA-N	2	2	395.507	2.717	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2[nH]c3c(cc(C)cc3C)[nH+]2)[C@H]1O	ZINC000257218017	212005714	/nfs/dbraw/zinc/00/57/14/212005714.db2.gz	DBNSIINUWBSYAS-RADWXHQJSA-N	2	2	395.507	2.888	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1cccc(Cl)c1	ZINC000022074846	570321359	/nfs/dbraw/zinc/32/13/59/570321359.db2.gz	GUJNSHYZJVEAOZ-OAHLLOKOSA-N	2	2	378.900	2.988	40	0		GFABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1	ZINC000257321982	212024337	/nfs/dbraw/zinc/02/43/37/212024337.db2.gz	WEDUJNOCEOSWOW-IBGZPJMESA-N	2	2	390.491	2.678	40	0		GFABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1	ZINC000257321982	212024340	/nfs/dbraw/zinc/02/43/40/212024340.db2.gz	WEDUJNOCEOSWOW-IBGZPJMESA-N	2	2	390.491	2.678	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1cccc(Cl)c1	ZINC000022074847	570321149	/nfs/dbraw/zinc/32/11/49/570321149.db2.gz	GUJNSHYZJVEAOZ-HNNXBMFYSA-N	2	2	378.900	2.988	40	0		GFABLP
C[NH+](C)CCCN1C[NH+]=C2N[C@@H]([C@H]3CC=CCC3)n3c4ccccc4nc3N2C1	ZINC000009262475	570774797	/nfs/dbraw/zinc/77/47/97/570774797.db2.gz	ORVHXKLXMVAFGK-FXAWDEMLSA-N	2	2	393.539	2.839	40	0		GFABLP
C[NH+](C)CCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc[nH+]1	ZINC000329021368	209157337	/nfs/dbraw/zinc/15/73/37/209157337.db2.gz	OGSCWMGWSBAUMV-UHFFFAOYSA-N	2	2	381.402	2.911	40	0		GFABLP
C[NH+](C)CCNc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1	ZINC000329001453	209155421	/nfs/dbraw/zinc/15/54/21/209155421.db2.gz	KEKPJTWYZQZSNR-UHFFFAOYSA-N	2	2	390.329	2.546	40	0		GFABLP
CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O	ZINC000257282399	212015883	/nfs/dbraw/zinc/01/58/83/212015883.db2.gz	OTPFKINUGKQYQW-NJDAHSKKSA-N	2	2	382.508	2.706	40	0		GFABLP
O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000096244900	211324268	/nfs/dbraw/zinc/32/42/68/211324268.db2.gz	DZGUPYCGOPTRNK-PXNSSMCTSA-N	2	2	382.533	2.564	40	0		GFABLP
O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000096244900	211324270	/nfs/dbraw/zinc/32/42/70/211324270.db2.gz	DZGUPYCGOPTRNK-PXNSSMCTSA-N	2	2	382.533	2.564	40	0		GFABLP
COCc1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)ccc1OC(C)C	ZINC000019711286	210286338	/nfs/dbraw/zinc/28/63/38/210286338.db2.gz	QCFUAXHOTCJRMY-UHFFFAOYSA-N	2	2	399.539	2.695	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000019654522	210276525	/nfs/dbraw/zinc/27/65/25/210276525.db2.gz	JGJNGTGAODDZHX-INIZCTEOSA-N	2	2	380.496	2.806	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000019654522	210276530	/nfs/dbraw/zinc/27/65/30/210276530.db2.gz	JGJNGTGAODDZHX-INIZCTEOSA-N	2	2	380.496	2.806	40	0		GFABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2c(C)[nH+]c3ccccc32)[C@H]1O	ZINC000257304413	212020521	/nfs/dbraw/zinc/02/05/21/212020521.db2.gz	SLNVUHOUUJOADF-SYYKKAFVSA-N	2	2	395.507	2.901	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2	ZINC000096056042	211298397	/nfs/dbraw/zinc/29/83/97/211298397.db2.gz	KKORJCXCVNJAOH-JXFKEZNVSA-N	2	2	386.521	2.820	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2	ZINC000096056042	211298402	/nfs/dbraw/zinc/29/84/02/211298402.db2.gz	KKORJCXCVNJAOH-JXFKEZNVSA-N	2	2	386.521	2.820	40	0		GFABLP
Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)ccc2n1C1CCCCC1	ZINC000019663700	210279626	/nfs/dbraw/zinc/27/96/26/210279626.db2.gz	HWHIFHBWVXLIAC-MRXNPFEDSA-N	2	2	397.523	2.986	40	0		GFABLP
Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C1CCCCC1	ZINC000019663700	210279627	/nfs/dbraw/zinc/27/96/27/210279627.db2.gz	HWHIFHBWVXLIAC-MRXNPFEDSA-N	2	2	397.523	2.986	40	0		GFABLP
CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374955	211105005	/nfs/dbraw/zinc/10/50/05/211105005.db2.gz	XMZCERFANUKXGR-QGZVFWFLSA-N	2	2	381.480	2.679	40	0		GFABLP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000019657946	210276713	/nfs/dbraw/zinc/27/67/13/210276713.db2.gz	VTMWOZNBGLERHD-GOSISDBHSA-N	3	2	378.480	2.728	40	0		GFABLP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000019657946	210276719	/nfs/dbraw/zinc/27/67/19/210276719.db2.gz	VTMWOZNBGLERHD-GOSISDBHSA-N	3	2	378.480	2.728	40	0		GFABLP
C[NH+](C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1	ZINC000329062898	231047784	/nfs/dbraw/zinc/04/77/84/231047784.db2.gz	XADNDXKVNAAOHZ-UHFFFAOYSA-N	2	2	381.402	2.911	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2	ZINC000096056049	211299420	/nfs/dbraw/zinc/29/94/20/211299420.db2.gz	KNKHIZLNYQDTIQ-UGKGYDQZSA-N	2	2	380.492	2.758	40	0		GFABLP
CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2	ZINC000096056049	211299423	/nfs/dbraw/zinc/29/94/23/211299423.db2.gz	KNKHIZLNYQDTIQ-UGKGYDQZSA-N	2	2	380.492	2.758	40	0		GFABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)[nH+]1	ZINC000072374895	211104979	/nfs/dbraw/zinc/10/49/79/211104979.db2.gz	KCQPJLMELUILOE-MRXNPFEDSA-N	2	2	389.525	2.823	40	0		GFABLP
O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)NCc1ccccn1	ZINC000019656720	210276379	/nfs/dbraw/zinc/27/63/79/210276379.db2.gz	WWZVEBSYTZIRFV-UHFFFAOYSA-N	2	2	395.894	2.722	40	0		GFABLP
C[NH+](C)CCNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1	ZINC000329046001	212094399	/nfs/dbraw/zinc/09/43/99/212094399.db2.gz	TYUYXDZNUODASE-UHFFFAOYSA-N	2	2	390.329	2.546	40	0		GFABLP
C[NH+](C)CCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1	ZINC000329044235	212095024	/nfs/dbraw/zinc/09/50/24/212095024.db2.gz	SVKHYUXPDSGOKK-UHFFFAOYSA-N	2	2	390.329	2.546	40	0		GFABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CC[N@H+](CC(c3ccccc3)c3ccccc3)C1)O2	ZINC000257237291	570767052	/nfs/dbraw/zinc/76/70/52/570767052.db2.gz	HFWDAXNWJIEMPK-QHCPKHFHSA-N	2	2	387.487	2.853	40	0		GFABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C1)O2	ZINC000257237291	570767054	/nfs/dbraw/zinc/76/70/54/570767054.db2.gz	HFWDAXNWJIEMPK-QHCPKHFHSA-N	2	2	387.487	2.853	40	0		GFABLP
Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)cn2)n1C	ZINC000257248596	570770173	/nfs/dbraw/zinc/77/01/73/570770173.db2.gz	JEJBEYFISGWSMC-LJQANCHMSA-N	2	2	395.551	2.913	40	0		GFABLP
COc1ccc2c(c1)C=C(C[N@@H+]1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)CO2	ZINC000019562266	571005926	/nfs/dbraw/zinc/00/59/26/571005926.db2.gz	LNMFEQOVCGWJOU-HXUWFJFHSA-N	2	2	378.476	2.744	40	0		GFABLP
COc1ccc2c(c1)C=C(C[N@H+]1CCc3nc([C@H]4CCC[NH2+]4)ncc3C1)CO2	ZINC000019562266	571005927	/nfs/dbraw/zinc/00/59/27/571005927.db2.gz	LNMFEQOVCGWJOU-HXUWFJFHSA-N	2	2	378.476	2.744	40	0		GFABLP
COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1	ZINC000072374273	222242657	/nfs/dbraw/zinc/24/26/57/222242657.db2.gz	DXJQJNIBXVNVAJ-QGZVFWFLSA-N	2	2	397.523	2.859	40	0		GFABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1	ZINC000022075094	570321270	/nfs/dbraw/zinc/32/12/70/570321270.db2.gz	IPHJFHXJEDOLIZ-OAHLLOKOSA-N	2	2	378.900	2.988	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000019715541	571037232	/nfs/dbraw/zinc/03/72/32/571037232.db2.gz	QPMOBWMWZHMTAO-OAHLLOKOSA-N	2	2	398.486	2.946	40	0		GFABLP
Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1	ZINC000019715541	571037233	/nfs/dbraw/zinc/03/72/33/571037233.db2.gz	QPMOBWMWZHMTAO-OAHLLOKOSA-N	2	2	398.486	2.946	40	0		GFABLP
COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1	ZINC000012143468	221159221	/nfs/dbraw/zinc/15/92/21/221159221.db2.gz	JJAYWBIJLIIOBT-UHFFFAOYSA-N	2	2	396.491	2.700	40	0		GFABLP
CN(CC[NH+](C)C)c1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccccc1)CC2	ZINC000012325503	221182862	/nfs/dbraw/zinc/18/28/62/221182862.db2.gz	BZYWHMMAETUHSL-UHFFFAOYSA-N	2	2	394.567	2.633	40	0		GFABLP
CN(CC[NH+](C)C)c1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000012325503	221182865	/nfs/dbraw/zinc/18/28/65/221182865.db2.gz	BZYWHMMAETUHSL-UHFFFAOYSA-N	2	2	394.567	2.633	40	0		GFABLP
COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1	ZINC000072374274	222242807	/nfs/dbraw/zinc/24/28/07/222242807.db2.gz	OZSXNNSUYFVRRT-KRWDZBQOSA-N	2	2	397.523	2.859	40	0		GFABLP
CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)n1	ZINC000019719830	570210948	/nfs/dbraw/zinc/21/09/48/570210948.db2.gz	MVNHBXSGMNVMFE-MRXNPFEDSA-N	2	2	380.496	2.981	40	0		GFABLP
CCn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(C)n1	ZINC000019719830	570210949	/nfs/dbraw/zinc/21/09/49/570210949.db2.gz	MVNHBXSGMNVMFE-MRXNPFEDSA-N	2	2	380.496	2.981	40	0		GFABLP
C[N@@H+]1CCc2nc([C@@H]3CCCC[NH+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590336	571017500	/nfs/dbraw/zinc/01/75/00/571017500.db2.gz	OUDRCGKXRVVLGI-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[N@H+]1CCc2nc([C@@H]3CCCC[NH+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590336	571017501	/nfs/dbraw/zinc/01/75/01/571017501.db2.gz	OUDRCGKXRVVLGI-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590336	571017502	/nfs/dbraw/zinc/01/75/02/571017502.db2.gz	OUDRCGKXRVVLGI-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
C[NH+]1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccc4c(c3)OCCO4)ncc2C1	ZINC000019590336	571017503	/nfs/dbraw/zinc/01/75/03/571017503.db2.gz	OUDRCGKXRVVLGI-IBGZPJMESA-N	2	2	380.492	2.963	40	0		GFABLP
c1cc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCCC3)[nH+]2)ccn1	ZINC000329002346	212091856	/nfs/dbraw/zinc/09/18/56/212091856.db2.gz	KHPRSSCZPVZFHU-UHFFFAOYSA-N	2	2	380.540	2.929	40	0		GFABLP
COCC[NH+]1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)CC1	ZINC000072341193	136168556	/nfs/dbraw/zinc/16/85/56/136168556.db2.gz	QRIKKNPLOXPGSP-UHFFFAOYSA-N	2	2	398.898	2.956	40	0		GFABLP
CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374956	222243194	/nfs/dbraw/zinc/24/31/94/222243194.db2.gz	XMZCERFANUKXGR-KRWDZBQOSA-N	2	2	381.480	2.679	40	0		GFABLP
Cc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NCCC[NH+](C)C)n2)cc1	ZINC000329069443	570216779	/nfs/dbraw/zinc/21/67/79/570216779.db2.gz	YYAQGVNYMHYBKC-UHFFFAOYSA-N	2	2	376.508	2.667	40	0		GFABLP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1	ZINC000019658007	571024456	/nfs/dbraw/zinc/02/44/56/571024456.db2.gz	UECZSHHQJNQWLE-QGZVFWFLSA-N	3	2	380.496	2.737	40	0		GFABLP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1	ZINC000019658007	571024459	/nfs/dbraw/zinc/02/44/59/571024459.db2.gz	UECZSHHQJNQWLE-QGZVFWFLSA-N	3	2	380.496	2.737	40	0		GFABLP
Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)nc(N)[nH+]2)cn1	ZINC000019718041	571041190	/nfs/dbraw/zinc/04/11/90/571041190.db2.gz	HZZDJXRHZYKOKA-SFHVURJKSA-N	2	2	381.459	2.847	40	0		GFABLP
CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cc1	ZINC000585270293	570239391	/nfs/dbraw/zinc/23/93/91/570239391.db2.gz	SWNOMQMBBSDXHO-HXUWFJFHSA-N	2	2	398.494	2.770	40	0		GFABLP
O[C@]1(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)CCN(c2cccc[nH+]2)C1	ZINC000585271306	570239717	/nfs/dbraw/zinc/23/97/17/570239717.db2.gz	VZEQIWCXORUYJT-QHCPKHFHSA-N	2	2	390.487	2.787	40	0		GFABLP
C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)COC1CCCCC1	ZINC000257336214	570487303	/nfs/dbraw/zinc/48/73/03/570487303.db2.gz	YNOTWEWSPUEKDE-NRFANRHFSA-N	2	2	376.541	2.661	40	0		GFABLP
C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)COC1CCCCC1	ZINC000257336214	570487305	/nfs/dbraw/zinc/48/73/05/570487305.db2.gz	YNOTWEWSPUEKDE-NRFANRHFSA-N	2	2	376.541	2.661	40	0		GFABLP
C[NH+]1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1	ZINC000096111863	222382131	/nfs/dbraw/zinc/38/21/31/222382131.db2.gz	AEBWVIFGBDQIFY-FPOVZHCZSA-N	2	2	392.503	2.544	40	0	biogenic,in-vitro	GFABLP
C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1	ZINC000096111863	222382133	/nfs/dbraw/zinc/38/21/33/222382133.db2.gz	AEBWVIFGBDQIFY-FPOVZHCZSA-N	2	2	392.503	2.544	40	0	biogenic,in-vitro	GFABLP
CC(C)n1c2c(nc1C(=O)N1CCC[NH+](C)CC1)C[N@H+](Cc1ccccc1)CC2	ZINC000096147132	222389949	/nfs/dbraw/zinc/38/99/49/222389949.db2.gz	ZRSKGSJAJKSYHW-UHFFFAOYSA-N	2	2	395.551	2.800	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CCC[NH+](C)CC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000096147132	222389953	/nfs/dbraw/zinc/38/99/53/222389953.db2.gz	ZRSKGSJAJKSYHW-UHFFFAOYSA-N	2	2	395.551	2.800	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CCC[N@H+](C)CC1)C[NH+](Cc1ccccc1)CC2	ZINC000096147132	222389956	/nfs/dbraw/zinc/38/99/56/222389956.db2.gz	ZRSKGSJAJKSYHW-UHFFFAOYSA-N	2	2	395.551	2.800	40	0		GFABLP
CC(C)n1c2c(nc1C(=O)N1CCC[N@@H+](C)CC1)C[NH+](Cc1ccccc1)CC2	ZINC000096147132	222389960	/nfs/dbraw/zinc/38/99/60/222389960.db2.gz	ZRSKGSJAJKSYHW-UHFFFAOYSA-N	2	2	395.551	2.800	40	0		GFABLP
C[NH+]1CCN(CC(C)(C)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)CC1	ZINC000023247765	570392317	/nfs/dbraw/zinc/39/23/17/570392317.db2.gz	IBJAIWTUDTZJGL-GOTSBHOMSA-N	2	2	384.612	2.651	40	0		GFABLP
C[NH+]1CCN(CC(C)(C)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)CC1	ZINC000023247765	570392322	/nfs/dbraw/zinc/39/23/22/570392322.db2.gz	IBJAIWTUDTZJGL-GOTSBHOMSA-N	2	2	384.612	2.651	40	0		GFABLP
C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21	ZINC000257290069	570489044	/nfs/dbraw/zinc/48/90/44/570489044.db2.gz	QBLLRXBAYLIGKI-HSZRJFAPSA-N	2	2	393.531	2.966	40	0		GFABLP
C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21	ZINC000257290069	570489048	/nfs/dbraw/zinc/48/90/48/570489048.db2.gz	QBLLRXBAYLIGKI-HSZRJFAPSA-N	2	2	393.531	2.966	40	0		GFABLP
O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000044932402	570643851	/nfs/dbraw/zinc/64/38/51/570643851.db2.gz	YPGUSFUDOVVDGN-UHFFFAOYSA-N	2	2	376.460	2.635	40	0		GFABLP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000019657948	571024574	/nfs/dbraw/zinc/02/45/74/571024574.db2.gz	VTMWOZNBGLERHD-SFHVURJKSA-N	3	2	378.480	2.728	40	0		GFABLP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000019657948	571024576	/nfs/dbraw/zinc/02/45/76/571024576.db2.gz	VTMWOZNBGLERHD-SFHVURJKSA-N	3	2	378.480	2.728	40	0		GFABLP
CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1	ZINC000012116399	221151982	/nfs/dbraw/zinc/15/19/82/221151982.db2.gz	XLTSBSUEIFNQBU-SFHVURJKSA-N	2	2	383.540	2.873	40	0		GFABLP
CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1	ZINC000012116399	221151983	/nfs/dbraw/zinc/15/19/83/221151983.db2.gz	XLTSBSUEIFNQBU-SFHVURJKSA-N	2	2	383.540	2.873	40	0		GFABLP
O=c1nc2n(c3c1C[NH+](Cc1ccccc1)CC3)CC[C@]21CC[N@H+](CC2CC2)C1	ZINC000306130465	570939122	/nfs/dbraw/zinc/93/91/22/570939122.db2.gz	JHHDIBHJEJQBPR-DEOSSOPVSA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[NH+](Cc1ccccc1)CC3)CC[C@]21CC[N@@H+](CC2CC2)C1	ZINC000306130465	570939127	/nfs/dbraw/zinc/93/91/27/570939127.db2.gz	JHHDIBHJEJQBPR-DEOSSOPVSA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[N@H+](Cc1ccccc1)CC3)CC[C@]21CC[NH+](CC2CC2)C1	ZINC000306130465	570939131	/nfs/dbraw/zinc/93/91/31/570939131.db2.gz	JHHDIBHJEJQBPR-DEOSSOPVSA-N	2	2	390.531	2.559	40	0		GFABLP
O=c1nc2n(c3c1C[N@@H+](Cc1ccccc1)CC3)CC[C@]21CC[NH+](CC2CC2)C1	ZINC000306130465	570939135	/nfs/dbraw/zinc/93/91/35/570939135.db2.gz	JHHDIBHJEJQBPR-DEOSSOPVSA-N	2	2	390.531	2.559	40	0		GFABLP