smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582335	518818712	/nfs/dbraw/zinc/81/87/12/518818712.db2.gz	KFCBASITBHQWQU-BEFAXECRSA-N	2	0	364.490	1.159	40	0		FDABRP
C[N@@H+]1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699943	518826739	/nfs/dbraw/zinc/82/67/39/518826739.db2.gz	WXPYNLGDVBVYSK-SFHVURJKSA-N	2	0	370.497	1.710	40	0		FDABRP
CC(=O)N1CCC([N@@H+](C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]3)n2)CC1	ZINC000019760264	518835942	/nfs/dbraw/zinc/83/59/42/518835942.db2.gz	FGYZNXMVPNTLKX-KRWDZBQOSA-N	2	0	360.506	1.410	40	0		FDABRP
COC[C@@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C[NH+](C)C)CC2	ZINC000585102900	551571435	/nfs/dbraw/zinc/57/14/35/551571435.db2.gz	HHSOBXCCIIRKBA-INIZCTEOSA-N	2	0	365.543	1.997	40	0		FDABRP
C[N@H+](CC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292032	551580173	/nfs/dbraw/zinc/58/01/73/551580173.db2.gz	VUSKLHZTXQTFOK-QRVBRYPASA-N	2	0	352.450	1.090	40	0		FDABRP
CCCC[N@H+](C)C[C@@H]1OC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H]1O	ZINC000514288579	560034540	/nfs/dbraw/zinc/03/45/40/560034540.db2.gz	IKIWXZZWYDPBHX-OKZBNKHCSA-N	2	0	370.515	1.040	40	0	biogenic,in-vitro	FDABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)cc1	ZINC000044913704	205114874	/nfs/dbraw/zinc/11/48/74/205114874.db2.gz	FFQJHSWYOKQSRI-UHFFFAOYSA-N	2	0	372.557	1.961	40	0		FDABRP
C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	ZINC000019496344	518811925	/nfs/dbraw/zinc/81/19/25/518811925.db2.gz	AKUAVLAEVFBKNY-JKSUJKDBSA-N	2	0	357.502	1.703	40	0		FDABRP
C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	ZINC000019496343	518812984	/nfs/dbraw/zinc/81/29/84/518812984.db2.gz	AKUAVLAEVFBKNY-HZPDHXFCSA-N	2	0	357.502	1.703	40	0		FDABRP
CC(C)[N@H+]1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccccn3)C[C@H]21	ZINC000096185750	525150059	/nfs/dbraw/zinc/15/00/59/525150059.db2.gz	MRYDISGJVDJGBZ-QXAKKESOSA-N	2	0	359.518	1.043	40	0		FDABRP
CCn1cc(C[NH+]2CCC3(C[N@H+](CCOC)C[C@@H]3COC)CC2)cn1	ZINC000585103245	551571149	/nfs/dbraw/zinc/57/11/49/551571149.db2.gz	NVDDCQUXPOBLNC-GOSISDBHSA-N	2	0	350.507	1.710	40	0		FDABRP
C[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1	ZINC000019496500	518811989	/nfs/dbraw/zinc/81/19/89/518811989.db2.gz	AINHRNUAIXIJHS-OAHLLOKOSA-N	2	0	357.502	1.560	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)Cn2cccn2)[nH+]1	ZINC000019698317	518825581	/nfs/dbraw/zinc/82/55/81/518825581.db2.gz	SPKVBMOXCLQXPI-IBGZPJMESA-N	2	0	368.485	1.702	40	0		FDABRP
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218108136	206367695	/nfs/dbraw/zinc/36/76/95/206367695.db2.gz	MHMRORRQEJMFBI-QZTJIDSGSA-N	2	0	360.479	1.847	40	0		FDABRP
COc1ccc(C[N@H+]2CCc3nnc(COCC[NH+](C)C)n3CC2)cc1	ZINC000096058869	525129043	/nfs/dbraw/zinc/12/90/43/525129043.db2.gz	MZDHZQZEIUOGQY-UHFFFAOYSA-N	2	0	359.474	1.423	40	0		FDABRP
C[NH+]1CCC2(CCCN(Cc3nccs3)[C@H]2CNS(C)(=O)=O)CC1	ZINC000306140298	571041396	/nfs/dbraw/zinc/04/13/96/571041396.db2.gz	UPCDSWBUKUZMEB-AWEZNQCLSA-N	2	0	372.560	1.369	40	0		FDABRP
O=C(C[NH+]1CCCC1)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1	ZINC000257267057	571156068	/nfs/dbraw/zinc/15/60/68/571156068.db2.gz	MFTZQCDTISZUMG-FPOVZHCZSA-N	2	0	357.498	1.710	40	0		FDABRP
C[N@@H+]1CCCC[C@]1(C)C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276095	571157319	/nfs/dbraw/zinc/15/73/19/571157319.db2.gz	NSHYUPAXHFIQFY-SJORKVTESA-N	2	0	359.461	1.555	40	0		FDABRP
COc1cc(NC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CCCC[NH3+])cc2ccccc21	ZINC000001578627	204014143	/nfs/dbraw/zinc/01/41/43/204014143.db2.gz	NVFAVOGMBNAYET-CXAGYDPISA-N	2	0	372.469	1.748	40	0		FDABRP
C[C@H](C[NH+](C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455915	204684383	/nfs/dbraw/zinc/68/43/83/204684383.db2.gz	OMKCYIINUUUFDC-HUUCEWRRSA-N	2	0	364.490	1.157	40	0		FDABRP
COCC[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1	ZINC000019593422	518821242	/nfs/dbraw/zinc/82/12/42/518821242.db2.gz	YGMMMOAMUQZKEQ-UHFFFAOYSA-N	2	0	357.502	1.794	40	0		FDABRP
C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1	ZINC000072397264	522232239	/nfs/dbraw/zinc/23/22/39/522232239.db2.gz	GAHSAUULUXXIID-SJORKVTESA-N	2	0	371.529	1.902	40	0		FDABRP
C[NH+]1CCN(C[C@@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160305	525143791	/nfs/dbraw/zinc/14/37/91/525143791.db2.gz	FPIFWDXHACCGHB-LEWJYISDSA-N	2	0	359.514	1.684	40	0		FDABRP
C[C@H](C[NH+](C)C)NC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000012220701	518596558	/nfs/dbraw/zinc/59/65/58/518596558.db2.gz	VEMDVYBDOWZISY-SPYBWZPUSA-N	2	0	364.490	1.157	40	0		FDABRP
CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)NCC[NH+](C)C)cn32)CC1	ZINC000096156081	525141683	/nfs/dbraw/zinc/14/16/83/525141683.db2.gz	PKCJRKQUSWUXIO-UHFFFAOYSA-N	2	0	357.502	1.761	40	0		FDABRP
O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096036349	209096315	/nfs/dbraw/zinc/09/63/15/209096315.db2.gz	VAKAIYVGNPDGPW-NRFANRHFSA-N	2	0	354.498	1.896	40	0		FDABRP
CC(C)[N@H+]1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccncc3)C[C@H]21	ZINC000096064518	209107374	/nfs/dbraw/zinc/10/73/74/209107374.db2.gz	USEACMFJEDYUCQ-IPMKNSEASA-N	2	0	359.518	1.043	40	0		FDABRP
N=C(NC(N)=[NH2+])Nc1ccc(-c2ccc(NC(=N)NC(N)=[NH2+])cc2)cc1	ZINC000008614414	207239211	/nfs/dbraw/zinc/23/92/11/207239211.db2.gz	IIWFFCZNXIUDNS-UHFFFAOYSA-N	2	0	352.406	1.013	40	0		FDABRP
COc1cc(NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc2ccccc21	ZINC000001578629	518233223	/nfs/dbraw/zinc/23/32/23/518233223.db2.gz	NVFAVOGMBNAYET-DYVFJYSZSA-N	2	0	372.469	1.748	40	0		FDABRP
OC(C[n+]1cccc(Br)c1)C[n+]1cccc(Br)c1	ZINC000001595142	518235192	/nfs/dbraw/zinc/23/51/92/518235192.db2.gz	UKEPJUCMOUPSGA-UHFFFAOYSA-N	2	0	374.076	1.848	40	0		FDABRP
CNC(=O)[C@@H](C1CCCCC1)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C	ZINC000096112996	525135435	/nfs/dbraw/zinc/13/54/35/525135435.db2.gz	NQZCZYREJXQXMT-DLBZAZTESA-N	2	0	352.523	1.166	40	0	biogenic,in-vitro	FDABRP
O[C@H]1CC[C@@H](Cc2cc(-c3ccccn3)on2)O[C@@H]1C[NH2+]C1CC[NH2+]CC1	ZINC000077263113	208199280	/nfs/dbraw/zinc/19/92/80/208199280.db2.gz	ATXODTKISZYIKL-XKGZKEIXSA-N	2	0	372.469	1.529	40	0	biogenic,in-vitro	FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)c2cnccn2)[nH+]1	ZINC000019698173	518826426	/nfs/dbraw/zinc/82/64/26/518826426.db2.gz	GQLQUNOKPAFQEG-IBGZPJMESA-N	2	0	366.469	1.909	40	0		FDABRP
CN(C(=O)c1cccc(OCC[NH3+])c1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257320341	571161646	/nfs/dbraw/zinc/16/16/46/571161646.db2.gz	VWJDMFPAAQXHFP-GUDVDZBRSA-N	2	0	361.486	1.474	40	0		FDABRP
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2	ZINC000096055942	209105642	/nfs/dbraw/zinc/10/56/42/209105642.db2.gz	ZGPWDRLMSQJJGI-FPOVZHCZSA-N	2	0	374.529	1.720	40	0		FDABRP
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019697999	518826697	/nfs/dbraw/zinc/82/66/97/518826697.db2.gz	VASIHLVMCITSLB-GOSISDBHSA-N	2	0	357.502	1.559	40	0		FDABRP
Cc1nn(C)cc1CN1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1	ZINC000019739025	518832446	/nfs/dbraw/zinc/83/24/46/518832446.db2.gz	GYXZMKUMEZZKKL-KRWDZBQOSA-N	2	0	354.502	1.831	40	0		FDABRP
C[C@H](C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1)[NH+]1CCCCC1	ZINC000019078105	518801888	/nfs/dbraw/zinc/80/18/88/518801888.db2.gz	BJSZUBFXLSYPEK-OAHLLOKOSA-N	2	0	357.502	1.703	40	0		FDABRP
Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)cc([C@H]2CC[NH2+]C2)[nH+]1	ZINC000019739127	518832674	/nfs/dbraw/zinc/83/26/74/518832674.db2.gz	VKVATSSIFDKHFP-HNNXBMFYSA-N	2	0	352.442	1.219	40	0		FDABRP
C[N@H+](CC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290791	551579809	/nfs/dbraw/zinc/57/98/09/551579809.db2.gz	FYPCWHBYFQGVLE-QRVBRYPASA-N	2	0	352.450	1.090	40	0		FDABRP
CNc1cc(CN(C)C(=O)C[NH+]2CCC(C)CC2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759840	518835554	/nfs/dbraw/zinc/83/55/54/518835554.db2.gz	YEWJFWAAGVXGHC-MRXNPFEDSA-N	2	0	360.506	1.633	40	0		FDABRP
C[N@@H+]1CCCC[C@]1(C)C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276093	571157162	/nfs/dbraw/zinc/15/71/62/571157162.db2.gz	NSHYUPAXHFIQFY-IAGOWNOFSA-N	2	0	359.461	1.555	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257209791	571150206	/nfs/dbraw/zinc/15/02/06/571150206.db2.gz	BRXAMBMTDXTCTN-QGZVFWFLSA-N	2	0	359.461	1.557	40	0		FDABRP
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1	ZINC000257231945	571152348	/nfs/dbraw/zinc/15/23/48/571152348.db2.gz	GIUPTAVVBZZZGL-OAQYLSRUSA-N	2	0	374.529	1.647	40	0		FDABRP
COc1cc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCC[NH3+])cc2ccccc21	ZINC000001578626	210359658	/nfs/dbraw/zinc/35/96/58/210359658.db2.gz	NVFAVOGMBNAYET-SUMWQHHRSA-N	2	0	372.469	1.748	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@H]2c1cccnc1	ZINC000009265088	518501200	/nfs/dbraw/zinc/50/12/00/518501200.db2.gz	ZSLPISOHWZAGGZ-QGZVFWFLSA-N	2	0	367.457	1.351	40	0		FDABRP
C[C@@H]1CCC[N@H+](CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)C1	ZINC000019496512	211223886	/nfs/dbraw/zinc/22/38/86/211223886.db2.gz	RLBNPKFZAZVPAZ-HZPDHXFCSA-N	2	0	357.502	1.560	40	0		FDABRP
COc1ccccc1N1CCN(CCNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1	ZINC000100768880	132233172	/nfs/dbraw/zinc/23/31/72/132233172.db2.gz	AYBXXSRMBFTNPR-HDICACEKSA-N	2	0	374.529	1.699	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCN(C(=O)COC(C)C)C2)[nH+]1	ZINC000019739107	518831587	/nfs/dbraw/zinc/83/15/87/518831587.db2.gz	YQAXWIVMSIOHDA-KRWDZBQOSA-N	2	0	360.502	1.883	40	0		FDABRP
C[N@@H+]1CCCC[C@@]1(C)C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276092	571157149	/nfs/dbraw/zinc/15/71/49/571157149.db2.gz	NSHYUPAXHFIQFY-DLBZAZTESA-N	2	0	359.461	1.555	40	0		FDABRP
C[NH+](C)CCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1	ZINC000585292212	551580537	/nfs/dbraw/zinc/58/05/37/551580537.db2.gz	GEBBWIODTALGAM-YPAWHYETSA-N	2	0	370.493	1.948	40	0		FDABRP
C[N@@H+]1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1	ZINC000019699942	211247365	/nfs/dbraw/zinc/24/73/65/211247365.db2.gz	WXPYNLGDVBVYSK-GOSISDBHSA-N	2	0	370.497	1.710	40	0		FDABRP
C[n+]1ccccc1-c1nc(-c2cccc[n+]2C)nc(-c2cccc[n+]2C)n1	ZINC000001556373	210359435	/nfs/dbraw/zinc/35/94/35/210359435.db2.gz	CDIMNVNQZOXXKC-UHFFFAOYSA-N	3	0	357.441	1.346	40	0		FDABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000585104330	551572191	/nfs/dbraw/zinc/57/21/91/551572191.db2.gz	ZCRKDRVMZKVPAV-QGZVFWFLSA-N	2	0	350.507	1.535	40	0		FDABRP
C[N@@H+]1CCCC[C@@]1(C)C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257276094	571157220	/nfs/dbraw/zinc/15/72/20/571157220.db2.gz	NSHYUPAXHFIQFY-IRXDYDNUSA-N	2	0	359.461	1.555	40	0		FDABRP
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2	ZINC000096055941	222005661	/nfs/dbraw/zinc/00/56/61/222005661.db2.gz	AGAOHZRZOVLJNJ-RXVVDRJESA-N	2	0	374.529	1.720	40	0		FDABRP
C[NH+]1CCN(C[C@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160311	222059406	/nfs/dbraw/zinc/05/94/06/222059406.db2.gz	FPIFWDXHACCGHB-RTWAWAEBSA-N	2	0	359.514	1.684	40	0		FDABRP
C[C@H]1CCC[N@H+](CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)C1	ZINC000253602763	571291853	/nfs/dbraw/zinc/29/18/53/571291853.db2.gz	RLBNPKFZAZVPAZ-HOTGVXAUSA-N	2	0	357.502	1.560	40	0		FDABRP
C[NH+]1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2cccnc2)CC4)CC1	ZINC000306137984	210056518	/nfs/dbraw/zinc/05/65/18/210056518.db2.gz	RLSWFPLGEXAACX-UHFFFAOYSA-N	2	0	365.481	1.465	40	0		FDABRP
C[NH+](C)CCCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582332	211238112	/nfs/dbraw/zinc/23/81/12/211238112.db2.gz	KFCBASITBHQWQU-DNVCBOLYSA-N	2	0	364.490	1.159	40	0		FDABRP
CC(=O)N1CCC([N@@H+](C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]3)n2)CC1	ZINC000019760266	518835260	/nfs/dbraw/zinc/83/52/60/518835260.db2.gz	FGYZNXMVPNTLKX-QGZVFWFLSA-N	2	0	360.506	1.410	40	0		FDABRP
C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000072394720	522232204	/nfs/dbraw/zinc/23/22/04/522232204.db2.gz	ZKDGKJDMLMKKAY-RTBURBONSA-N	2	0	353.466	1.908	40	0		FDABRP
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000072394723	522232363	/nfs/dbraw/zinc/23/23/63/522232363.db2.gz	ZKDGKJDMLMKKAY-OALUTQOASA-N	2	0	353.466	1.908	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21	ZINC000019346761	211215925	/nfs/dbraw/zinc/21/59/25/211215925.db2.gz	JWAUMHDTKBXJLO-MRXNPFEDSA-N	2	0	370.501	1.500	40	0		FDABRP
Cc1nc2nc(NCCC[NH+](C)C)nc(NCCC[NH+](C)C)c2nc1C	ZINC000001646507	210363245	/nfs/dbraw/zinc/36/32/45/210363245.db2.gz	KIRNNDXSDKEUGS-UHFFFAOYSA-N	2	0	360.510	1.764	40	0		FDABRP
COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)cc1	ZINC000257257603	533541112	/nfs/dbraw/zinc/54/11/12/533541112.db2.gz	KQJFWECOQOODCC-FQEVSTJZSA-N	2	0	363.502	1.608	40	0		FDABRP
C[C@H](C[NH+](C)C)NC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000012220703	518597171	/nfs/dbraw/zinc/59/71/71/518597171.db2.gz	VEMDVYBDOWZISY-CLCXKQKWSA-N	2	0	364.490	1.157	40	0		FDABRP
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)C2(C[NH3+])C[NH3+])cc1	ZINC000218167915	537461786	/nfs/dbraw/zinc/46/17/86/537461786.db2.gz	SKANLEXBWIVOHE-ZWKOTPCHSA-N	2	0	374.462	1.567	40	0		FDABRP
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)C2(C[NH3+])C[NH3+])cc1	ZINC000218167841	537462089	/nfs/dbraw/zinc/46/20/89/537462089.db2.gz	SKANLEXBWIVOHE-MSOLQXFVSA-N	2	0	374.462	1.567	40	0		FDABRP
C[NH+]1CCC(N2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)CC1	ZINC000604381848	553870052	/nfs/dbraw/zinc/87/00/52/553870052.db2.gz	RLPYIOHCXSPNNP-OAQYLSRUSA-N	2	0	370.541	1.352	40	0	biogenic,in-vitro	FDABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)n1	ZINC000329018771	210130140	/nfs/dbraw/zinc/13/01/40/210130140.db2.gz	NSEOGKOIJMBMJA-UHFFFAOYSA-N	2	0	368.529	1.763	40	0		FDABRP
C[NH+]1CCC2(CCCN(Cc3nccs3)[C@@H]2CNS(C)(=O)=O)CC1	ZINC000306140299	210055776	/nfs/dbraw/zinc/05/57/76/210055776.db2.gz	UPCDSWBUKUZMEB-CQSZACIVSA-N	2	0	372.560	1.369	40	0		FDABRP
O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCC[NH+]1CCCC1	ZINC000096220545	222083976	/nfs/dbraw/zinc/08/39/76/222083976.db2.gz	AYLOOUVNFTXOLW-XUVXKRRUSA-N	2	0	357.498	1.878	40	0		FDABRP
C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)C1	ZINC000004895369	518317207	/nfs/dbraw/zinc/31/72/07/518317207.db2.gz	PXZFTQIYTKXVSW-HDICACEKSA-N	2	0	364.534	1.121	40	0		FDABRP
O=c1c2c(nc3n1CC1(C3)CC[NH2+]CC1)CC[N@@H+](Cc1ccccc1)C2	ZINC000306142374	223112704	/nfs/dbraw/zinc/11/27/04/223112704.db2.gz	WXZHVROZBPQAIF-UHFFFAOYSA-N	2	0	350.466	1.728	40	0		FDABRP
C[C@@H](C[NH+](C)C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455913	220258802	/nfs/dbraw/zinc/25/88/02/220258802.db2.gz	OMKCYIINUUUFDC-LSDHHAIUSA-N	2	0	364.490	1.157	40	0		FDABRP
C[C@H]1CCC[N@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1	ZINC000019496501	220261924	/nfs/dbraw/zinc/26/19/24/220261924.db2.gz	AINHRNUAIXIJHS-HNNXBMFYSA-N	2	0	357.502	1.560	40	0		FDABRP
C[C@@H]1CCC[N@H+](CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)C1	ZINC000253602762	571291839	/nfs/dbraw/zinc/29/18/39/571291839.db2.gz	RLBNPKFZAZVPAZ-CVEARBPZSA-N	2	0	357.502	1.560	40	0		FDABRP
Cn1cncc1C[NH+]1CCC(c2ccnc3c(C[NH+](C)C)cnn32)CC1	ZINC000257308246	223060289	/nfs/dbraw/zinc/06/02/89/223060289.db2.gz	TVZUZTVGGFWVCL-UHFFFAOYSA-N	2	0	353.474	1.904	40	0		FDABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)n1	ZINC000328957086	223126494	/nfs/dbraw/zinc/12/64/94/223126494.db2.gz	AJCXVAGFYYMYJB-UHFFFAOYSA-N	2	0	369.517	1.158	40	0		FDABRP
C[NH+]1CCN(C[C@@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160309	222060124	/nfs/dbraw/zinc/06/01/24/222060124.db2.gz	FPIFWDXHACCGHB-SFTDATJTSA-N	2	0	359.514	1.684	40	0		FDABRP
O[C@H](COCCOCCOCC[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000005375499	518342263	/nfs/dbraw/zinc/34/22/63/518342263.db2.gz	ZLJYLMBMGYNRPW-IBGZPJMESA-N	2	0	358.523	1.369	40	0		FDABRP
C[NH+]1CCN(c2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)ccn2)CC1	ZINC000019662581	518824530	/nfs/dbraw/zinc/82/45/30/518824530.db2.gz	KRTCNUNWOBKQDK-UHFFFAOYSA-N	2	0	359.518	1.828	40	0		FDABRP
CC1CC[NH+](CC(=O)NCCn2nc([C@H]3CC[NH2+]C3)c3cccnc32)CC1	ZINC000019496885	220264162	/nfs/dbraw/zinc/26/41/62/220264162.db2.gz	GCPVAAALYFNOMO-INIZCTEOSA-N	2	0	370.501	1.356	40	0		FDABRP
C[NH+]1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccc(F)cc3)CC1)C2=O	ZINC000019700008	518825821	/nfs/dbraw/zinc/82/58/21/518825821.db2.gz	UHOKRIGKCYNLGZ-UHFFFAOYSA-N	2	0	374.460	1.806	40	0		FDABRP
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1	ZINC000257231944	528861245	/nfs/dbraw/zinc/86/12/45/528861245.db2.gz	GIUPTAVVBZZZGL-NRFANRHFSA-N	2	0	374.529	1.647	40	0		FDABRP
COc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1	ZINC000019570040	220274767	/nfs/dbraw/zinc/27/47/67/220274767.db2.gz	VGQXWXNINCWXSM-OAHLLOKOSA-N	2	0	352.442	1.783	40	0		FDABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000585104328	551572095	/nfs/dbraw/zinc/57/20/95/551572095.db2.gz	ZCRKDRVMZKVPAV-KRWDZBQOSA-N	2	0	350.507	1.535	40	0		FDABRP
C[C@H]1CCCC[N@@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21	ZINC000257311411	571215972	/nfs/dbraw/zinc/21/59/72/571215972.db2.gz	UJHWMOPKEZRGQK-HOTGVXAUSA-N	2	0	370.501	1.499	40	0		FDABRP
C[C@@H](C(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1)[NH+]1CCCCC1	ZINC000019078108	220235993	/nfs/dbraw/zinc/23/59/93/220235993.db2.gz	BJSZUBFXLSYPEK-HNNXBMFYSA-N	2	0	357.502	1.703	40	0		FDABRP
C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000096225667	222086541	/nfs/dbraw/zinc/08/65/41/222086541.db2.gz	RIVXYKUWKQUUNL-NRFANRHFSA-N	2	0	370.497	1.960	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)[nH+]1	ZINC000019739082	518832555	/nfs/dbraw/zinc/83/25/55/518832555.db2.gz	SGZJBVVFBGNNBB-MRXNPFEDSA-N	2	0	368.485	1.505	40	0		FDABRP
C[NH+](C)C[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cncn21	ZINC000306137387	223111732	/nfs/dbraw/zinc/11/17/32/223111732.db2.gz	QVAXFAQLPVUBBP-CQSZACIVSA-N	2	0	358.833	1.943	40	0		FDABRP
C[C@@H]1CCCC[N@@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21	ZINC000019496353	220260393	/nfs/dbraw/zinc/26/03/93/220260393.db2.gz	UJHWMOPKEZRGQK-HZPDHXFCSA-N	2	0	370.501	1.499	40	0		FDABRP
COC[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2	ZINC000096217474	222082749	/nfs/dbraw/zinc/08/27/49/222082749.db2.gz	OZSCGBYQZUKJMN-KRWDZBQOSA-N	2	0	353.507	1.057	40	0		FDABRP
O=C1NCC[C@@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096036348	525125490	/nfs/dbraw/zinc/12/54/90/525125490.db2.gz	VAKAIYVGNPDGPW-OAQYLSRUSA-N	2	0	354.498	1.896	40	0		FDABRP
CSc1nc(OCC2CC[NH2+]CC2)cc(OCC2CC[NH2+]CC2)n1	ZINC000079440062	526214667	/nfs/dbraw/zinc/21/46/67/526214667.db2.gz	AFEJFSDTYQRMFR-UHFFFAOYSA-N	2	0	352.504	1.955	40	0		FDABRP
[NH3+]CC1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1	ZINC000218156244	537461531	/nfs/dbraw/zinc/46/15/31/537461531.db2.gz	PLNOAWJXJULBTK-DLBZAZTESA-N	2	0	360.435	1.259	40	0		FDABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NC2CCCCC2)nn1	ZINC000008298894	291038654	/nfs/dbraw/zinc/03/86/54/291038654.db2.gz	RUKMVQNATOOHLD-QGTPRVQTSA-N	2	0	360.506	1.157	40	0	biogenic,in-vitro	FDABRP
CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257201427	223017289	/nfs/dbraw/zinc/01/72/89/223017289.db2.gz	AHRAGSBSJYMBBC-GUDVDZBRSA-N	2	0	361.486	1.474	40	0		FDABRP
COc1ccc(OC)c(C[N@H+]2CCc3nnc([C@@H]4CCC[NH2+]C4)n3CC2)c1	ZINC000072370884	522226719	/nfs/dbraw/zinc/22/67/19/522226719.db2.gz	BLNGPURKCHTRCE-OAHLLOKOSA-N	2	0	371.485	1.821	40	0		FDABRP
COc1ccccc1C[N@@H+]1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1	ZINC000019570044	220274758	/nfs/dbraw/zinc/27/47/58/220274758.db2.gz	VGQXWXNINCWXSM-HNNXBMFYSA-N	2	0	352.442	1.783	40	0		FDABRP
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2	ZINC000019710631	220288494	/nfs/dbraw/zinc/28/84/94/220288494.db2.gz	LGFIZPAGFWFAFY-KRWDZBQOSA-N	2	0	374.533	1.744	40	0		FDABRP
C[NH+](C)C1CCN(C(=O)c2ccc3ccc(N4CC[NH+](C)CC4)n3c2)CC1	ZINC000096155889	222056318	/nfs/dbraw/zinc/05/63/18/222056318.db2.gz	OHUIMVLDXBEURA-UHFFFAOYSA-N	2	0	369.513	1.857	40	0		FDABRP
C[NH+](C)CCN1CC[C@]2(C[N@@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201883	222074692	/nfs/dbraw/zinc/07/46/92/222074692.db2.gz	CWIYFXSQUQAHJL-IRFCIJBXSA-N	2	0	357.498	1.655	40	0		FDABRP
CCCCN1c2ccccc2[C@]2(NC(=[NH2+])NC(N3CCCCC3)=[NH+]2)C1=O	ZINC000019330867	206326385	/nfs/dbraw/zinc/32/63/85/206326385.db2.gz	MWHRSYVXPYLSMF-LJQANCHMSA-N	2	0	354.458	1.746	40	0		FDABRP
C[C@H]1CCCC[N@@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21	ZINC000019496354	518811889	/nfs/dbraw/zinc/81/18/89/518811889.db2.gz	UJHWMOPKEZRGQK-JKSUJKDBSA-N	2	0	370.501	1.499	40	0		FDABRP
Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)cc([C@@H]2CC[NH2+]C2)[nH+]1	ZINC000019739126	518832336	/nfs/dbraw/zinc/83/23/36/518832336.db2.gz	VKVATSSIFDKHFP-OAHLLOKOSA-N	2	0	352.442	1.219	40	0		FDABRP
C[NH+](C)CCO[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CC[N@@H+]2C1	ZINC000096183172	525146633	/nfs/dbraw/zinc/14/66/33/525146633.db2.gz	FNWGVZYKKHABMS-DLBZAZTESA-N	2	0	351.878	1.817	40	0		FDABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccn2)n1	ZINC000329008533	571107127	/nfs/dbraw/zinc/10/71/27/571107127.db2.gz	LSQBOQRYQCQJHR-UHFFFAOYSA-N	2	0	369.517	1.158	40	0		FDABRP
C[C@@H](O)c1cccc([C@H](C)[NH2+]CCCN(CCC[NH3+])CC[NH+](C)C)n1	ZINC000068606233	205411304	/nfs/dbraw/zinc/41/13/04/205411304.db2.gz	RKLOQNYOPIWXFS-DLBZAZTESA-N	3	0	351.539	1.388	40	0		FDABRP
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)C2(C[NH3+])C[NH3+])cc1	ZINC000218167779	206368374	/nfs/dbraw/zinc/36/83/74/206368374.db2.gz	SKANLEXBWIVOHE-QZTJIDSGSA-N	2	0	374.462	1.567	40	0		FDABRP
CN(C)C(=O)[C@@]12CCC3(CC[NH+](CC4CCOCC4)CC3)[C@@H]1C[N@H+](C)C2	ZINC000096036294	525121844	/nfs/dbraw/zinc/12/18/44/525121844.db2.gz	QJRLBXVZXSLTOG-GHTZIAJQSA-N	2	0	363.546	1.925	40	0		FDABRP
CN(C)C(=O)C[NH+]1CCC2(CC1)C[N@H+](C)Cc1c(-c3ccccc3)ncn12	ZINC000306141011	571042023	/nfs/dbraw/zinc/04/20/23/571042023.db2.gz	VIYAOGZCFQMSOZ-UHFFFAOYSA-N	2	0	367.497	1.875	40	0		FDABRP
COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)cc1	ZINC000257257604	571155117	/nfs/dbraw/zinc/15/51/17/571155117.db2.gz	KQJFWECOQOODCC-HXUWFJFHSA-N	2	0	363.502	1.608	40	0		FDABRP
C[C@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C)CC1	ZINC000004895362	206181991	/nfs/dbraw/zinc/18/19/91/206181991.db2.gz	URXLDHINOKWZPK-ROUUACIJSA-N	2	0	364.534	1.406	40	0		FDABRP
C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1	ZINC000019496503	518812903	/nfs/dbraw/zinc/81/29/03/518812903.db2.gz	GAHSAUULUXXIID-DLBZAZTESA-N	2	0	371.529	1.902	40	0		FDABRP
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1ccco1)CCC2	ZINC000096055932	525128042	/nfs/dbraw/zinc/12/80/42/525128042.db2.gz	CQJAMEMENPYHAS-PXNSSMCTSA-N	2	0	363.502	1.918	40	0		FDABRP
C[NH+]1CCN(C[C@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1	ZINC000096160307	525144706	/nfs/dbraw/zinc/14/47/06/525144706.db2.gz	FPIFWDXHACCGHB-NHCUHLMSSA-N	2	0	359.514	1.684	40	0		FDABRP
CCCCN1c2ccccc2[C@@]2(NC(=[NH2+])NC(N3CCCCC3)=[NH+]2)C1=O	ZINC000019330871	206326292	/nfs/dbraw/zinc/32/62/92/206326292.db2.gz	MWHRSYVXPYLSMF-IBGZPJMESA-N	2	0	354.458	1.746	40	0		FDABRP
C[NH+]1CCN(CCNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)CC1	ZINC000328968000	571105395	/nfs/dbraw/zinc/10/53/95/571105395.db2.gz	CWUQMLAJQPMCGP-UHFFFAOYSA-N	2	0	358.534	1.602	40	0		FDABRP
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000072394721	522232447	/nfs/dbraw/zinc/23/24/47/522232447.db2.gz	ZKDGKJDMLMKKAY-RBUKOAKNSA-N	2	0	353.466	1.908	40	0		FDABRP
O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2O1)NCC[NH+]1CCCC1	ZINC000096220792	525151517	/nfs/dbraw/zinc/15/15/17/525151517.db2.gz	AYLOOUVNFTXOLW-SLFFLAALSA-N	2	0	357.498	1.878	40	0		FDABRP
[NH3+]CC1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218156085	206368193	/nfs/dbraw/zinc/36/81/93/206368193.db2.gz	PLNOAWJXJULBTK-IRXDYDNUSA-N	2	0	360.435	1.259	40	0		FDABRP
C[C@H]1CCC[N@H+](CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)C1	ZINC000019496513	518812424	/nfs/dbraw/zinc/81/24/24/518812424.db2.gz	RLBNPKFZAZVPAZ-JKSUJKDBSA-N	2	0	357.502	1.560	40	0		FDABRP
C[NH+]1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccc3)CC1)C2=O	ZINC000019700371	518826402	/nfs/dbraw/zinc/82/64/02/518826402.db2.gz	NSUOZNQMXKJFID-UHFFFAOYSA-N	2	0	356.470	1.667	40	0		FDABRP
CN(C(=O)c1ccc(OCC[NH3+])cc1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257265457	571156004	/nfs/dbraw/zinc/15/60/04/571156004.db2.gz	LYTIMSOBWUFUBU-GUDVDZBRSA-N	2	0	361.486	1.474	40	0		FDABRP
CC1CC[NH+](CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1	ZINC000019496873	518811722	/nfs/dbraw/zinc/81/17/22/518811722.db2.gz	SMUISKLNNOUQHS-MRXNPFEDSA-N	2	0	357.502	1.560	40	0		FDABRP
O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC([NH+]2CCCC2)CC1	ZINC000019660951	518824902	/nfs/dbraw/zinc/82/49/02/518824902.db2.gz	MUCJHLMYHQGOJW-UHFFFAOYSA-N	2	0	371.529	1.681	40	0		FDABRP
COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CC[NH+](C)CC4)[C@H]3C2)cc1	ZINC000096056260	525127773	/nfs/dbraw/zinc/12/77/73/525127773.db2.gz	BGZWBFWYQLMFPT-SESVDKBCSA-N	2	0	359.514	1.780	40	0		FDABRP
[NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)cc1	ZINC000257292419	571158772	/nfs/dbraw/zinc/15/87/72/571158772.db2.gz	QLIQCEPEIDKRSA-GUDVDZBRSA-N	2	0	361.486	1.522	40	0		FDABRP
CC1CC[NH+](CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1	ZINC000019496874	220260115	/nfs/dbraw/zinc/26/01/15/220260115.db2.gz	SMUISKLNNOUQHS-INIZCTEOSA-N	2	0	357.502	1.560	40	0		FDABRP
CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCC[NH+](C)C)no1	ZINC000015673353	518730352	/nfs/dbraw/zinc/73/03/52/518730352.db2.gz	LMBLAROLURFRID-HOTGVXAUSA-N	2	0	350.507	1.853	40	0	biogenic,in-vitro	FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)[nH+]1	ZINC000019739083	518831513	/nfs/dbraw/zinc/83/15/13/518831513.db2.gz	SGZJBVVFBGNNBB-INIZCTEOSA-N	2	0	368.485	1.505	40	0		FDABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329022684	571107668	/nfs/dbraw/zinc/10/76/68/571107668.db2.gz	OPPLLKVNYQASMT-UHFFFAOYSA-N	2	0	360.428	1.114	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257209790	571150211	/nfs/dbraw/zinc/15/02/11/571150211.db2.gz	BRXAMBMTDXTCTN-KRWDZBQOSA-N	2	0	359.461	1.557	40	0		FDABRP
C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C[NH+]1CCCC1	ZINC000019583444	518821184	/nfs/dbraw/zinc/82/11/84/518821184.db2.gz	SDXLFNNBZYVBJF-UHFFFAOYSA-N	2	0	373.476	1.963	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)N1CCc2nnc([C@@H]3CCC[NH2+]C3)n2CC1	ZINC000072370882	522225740	/nfs/dbraw/zinc/22/57/40/522225740.db2.gz	QREZMHQCRVMBCH-MRXNPFEDSA-N	2	0	360.506	1.006	40	0		FDABRP
C[C@H](O)c1cccc([C@H](C)[NH2+]CCCN(CCC[NH3+])CC[NH+](C)C)n1	ZINC000068606243	523832514	/nfs/dbraw/zinc/83/25/14/523832514.db2.gz	RKLOQNYOPIWXFS-IRXDYDNUSA-N	3	0	351.539	1.388	40	0		FDABRP
C[NH+](C)CCCNC(=O)NCCCCCCNC(=O)NCCC[NH+](C)C	ZINC000005197905	207086696	/nfs/dbraw/zinc/08/66/96/207086696.db2.gz	MBHYWHTXOFGZHE-UHFFFAOYSA-N	2	0	372.558	1.049	40	0		FDABRP
C[C@@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C)CC1	ZINC000004489277	518299506	/nfs/dbraw/zinc/29/95/06/518299506.db2.gz	URXLDHINOKWZPK-QZTJIDSGSA-N	2	0	364.534	1.406	40	0		FDABRP
Cn1cc(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)cn1	ZINC000096239919	209141537	/nfs/dbraw/zinc/14/15/37/209141537.db2.gz	LJQHFBKHKDTACJ-UHFFFAOYSA-N	2	0	355.486	1.930	40	0		FDABRP
C[C@@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C)CC1	ZINC000004895361	518316136	/nfs/dbraw/zinc/31/61/36/518316136.db2.gz	URXLDHINOKWZPK-HDICACEKSA-N	2	0	364.534	1.406	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)Cn2cccn2)[nH+]1	ZINC000019698318	518825749	/nfs/dbraw/zinc/82/57/49/518825749.db2.gz	SPKVBMOXCLQXPI-LJQANCHMSA-N	2	0	368.485	1.702	40	0		FDABRP
C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1	ZINC000072397265	522231455	/nfs/dbraw/zinc/23/14/55/522231455.db2.gz	GAHSAUULUXXIID-IRXDYDNUSA-N	2	0	371.529	1.902	40	0		FDABRP
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2	ZINC000096055934	209105373	/nfs/dbraw/zinc/10/53/73/209105373.db2.gz	ADNPPQBPSPXRMQ-ICSRJNTNSA-N	2	0	363.502	1.918	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@H]2c1ccccc1	ZINC000009289399	518501870	/nfs/dbraw/zinc/50/18/70/518501870.db2.gz	QXCQHEMXBGGWCT-GOSISDBHSA-N	2	0	366.469	1.956	40	0		FDABRP
COc1ccc(OC)c(C[N@H+]2CCc3nnc([C@H]4CCC[NH2+]C4)n3CC2)c1	ZINC000072370885	522224841	/nfs/dbraw/zinc/22/48/41/522224841.db2.gz	BLNGPURKCHTRCE-HNNXBMFYSA-N	2	0	371.485	1.821	40	0		FDABRP
C[NH+]1CCN(c2ccc3ccc(C(=O)N4CCC[N@H+](C)CC4)cn32)CC1	ZINC000096155891	209126755	/nfs/dbraw/zinc/12/67/55/209126755.db2.gz	SVEDVLGVEYWTHD-UHFFFAOYSA-N	2	0	355.486	1.469	40	0		FDABRP
CC1CC[NH+](CC(=O)NCCn2nc([C@@H]3CC[NH2+]C3)c3cccnc32)CC1	ZINC000019496884	220262788	/nfs/dbraw/zinc/26/27/88/220262788.db2.gz	GCPVAAALYFNOMO-MRXNPFEDSA-N	2	0	370.501	1.356	40	0		FDABRP
[NH3+]CC1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218155985	537461306	/nfs/dbraw/zinc/46/13/06/537461306.db2.gz	PLNOAWJXJULBTK-SJORKVTESA-N	2	0	360.435	1.259	40	0		FDABRP
C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000096225666	209139712	/nfs/dbraw/zinc/13/97/12/209139712.db2.gz	RIVXYKUWKQUUNL-OAQYLSRUSA-N	2	0	370.497	1.960	40	0		FDABRP
C[NH+](C)CCN1CC[C@]2(C[N@@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O	ZINC000096201882	209133183	/nfs/dbraw/zinc/13/31/83/209133183.db2.gz	CWIYFXSQUQAHJL-SVFBPWRDSA-N	2	0	357.498	1.655	40	0		FDABRP
O[C@@H](COCCOCCOCC[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000005375478	207097487	/nfs/dbraw/zinc/09/74/87/207097487.db2.gz	ZLJYLMBMGYNRPW-LJQANCHMSA-N	2	0	358.523	1.369	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@@H]2c1cccnc1	ZINC000009265085	518500645	/nfs/dbraw/zinc/50/06/45/518500645.db2.gz	ZSLPISOHWZAGGZ-KRWDZBQOSA-N	2	0	367.457	1.351	40	0		FDABRP
C[C@H](C[NH+](C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455919	518812338	/nfs/dbraw/zinc/81/23/38/518812338.db2.gz	OMKCYIINUUUFDC-CABCVRRESA-N	2	0	364.490	1.157	40	0		FDABRP
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019697998	518826249	/nfs/dbraw/zinc/82/62/49/518826249.db2.gz	VASIHLVMCITSLB-SFHVURJKSA-N	2	0	357.502	1.559	40	0		FDABRP
C[NH+](C)CCOc1cccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1	ZINC000257292093	571158584	/nfs/dbraw/zinc/15/85/84/571158584.db2.gz	QJYCPUIILBVKCL-OALUTQOASA-N	2	0	372.469	1.662	40	0		FDABRP
C[C@@H](C[NH+](C)C)NC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000019455917	211224353	/nfs/dbraw/zinc/22/43/53/211224353.db2.gz	OMKCYIINUUUFDC-GJZGRUSLSA-N	2	0	364.490	1.157	40	0		FDABRP
C[C@@H](O)c1cccc([C@@H](C)[NH2+]CCCN(CCC[NH3+])CC[NH+](C)C)n1	ZINC000068606236	221316588	/nfs/dbraw/zinc/31/65/88/221316588.db2.gz	RKLOQNYOPIWXFS-IAGOWNOFSA-N	3	0	351.539	1.388	40	0		FDABRP
CNC(=O)[C@@H](C1CCCCC1)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1	ZINC000096112998	222030452	/nfs/dbraw/zinc/03/04/52/222030452.db2.gz	VXJIWMPQMKYLGG-ZWKOTPCHSA-N	2	0	364.534	1.358	40	0	biogenic,in-vitro	FDABRP
Cc1cccc(C[NH+]2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)c1	ZINC000044913701	522019118	/nfs/dbraw/zinc/01/91/18/522019118.db2.gz	MDHYXQGWHLQKJY-UHFFFAOYSA-N	2	0	372.557	1.961	40	0		FDABRP
COc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1OCCC[NH+](C)C	ZINC000257201162	570627082	/nfs/dbraw/zinc/62/70/82/570627082.db2.gz	AGOCZSKDUGRVBR-IRXDYDNUSA-N	2	0	351.491	1.132	40	0		FDABRP
COc1ccc([C@@H]2N=C(N3CC[NH+](C)CC3)Nc3nc(C)cc(=O)n32)cc1	ZINC000104280014	222354443	/nfs/dbraw/zinc/35/44/43/222354443.db2.gz	RPXWDIQHNBQPMZ-QGZVFWFLSA-N	2	0	368.441	1.136	40	0		FDABRP
COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCC[NH+](C)C)n2)c1	ZINC000012325629	518604740	/nfs/dbraw/zinc/60/47/40/518604740.db2.gz	ATSNAYSCLDWMBE-JKSUJKDBSA-N	2	0	357.458	1.635	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=N[C@H]2c1ccccc1Cl	ZINC000104280078	222353639	/nfs/dbraw/zinc/35/36/39/222353639.db2.gz	UGZGGHQIYVVOHJ-MRXNPFEDSA-N	2	0	372.860	1.781	40	0		FDABRP
[NH3+]CC1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000218156162	537460715	/nfs/dbraw/zinc/46/07/15/537460715.db2.gz	PLNOAWJXJULBTK-IAGOWNOFSA-N	2	0	360.435	1.259	40	0		FDABRP
O[C@@H]1[C@@H](C[NH2+]CC2(O)CC[NH2+]CC2)CC[C@H]1Oc1cccc(Cl)c1	ZINC000585286577	551579452	/nfs/dbraw/zinc/57/94/52/551579452.db2.gz	MBWSHCDRRDVSEK-KBRIMQKVSA-N	2	0	354.878	1.562	40	0		FDABRP
COC[C@H]1CC2(C[N@@H+]1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2	ZINC000096217472	222081591	/nfs/dbraw/zinc/08/15/91/222081591.db2.gz	OZSCGBYQZUKJMN-QGZVFWFLSA-N	2	0	353.507	1.057	40	0		FDABRP
CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4cnn(C)c4)CC3)[C@@H]1C[N@H+](C)C2	ZINC000097952833	222217665	/nfs/dbraw/zinc/21/76/65/222217665.db2.gz	OAUFTIGUYBJIMP-FXAWDEMLSA-N	2	0	359.518	1.432	40	0		FDABRP
CNc1cc(CN(C)C(=O)C[NH+]2CCC(C)CC2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759838	518836057	/nfs/dbraw/zinc/83/60/57/518836057.db2.gz	YEWJFWAAGVXGHC-INIZCTEOSA-N	2	0	360.506	1.633	40	0		FDABRP
C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1	ZINC000019496502	518813070	/nfs/dbraw/zinc/81/30/70/518813070.db2.gz	GAHSAUULUXXIID-IAGOWNOFSA-N	2	0	371.529	1.902	40	0		FDABRP
C[NH+](C)CCCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582337	211238975	/nfs/dbraw/zinc/23/89/75/211238975.db2.gz	KFCBASITBHQWQU-HNAYVOBHSA-N	2	0	364.490	1.159	40	0		FDABRP
C[C@@H]1CCCC[N@@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21	ZINC000257311410	571215987	/nfs/dbraw/zinc/21/59/87/571215987.db2.gz	UJHWMOPKEZRGQK-CVEARBPZSA-N	2	0	370.501	1.499	40	0		FDABRP
CS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+]1CCc2ccccc2C1	ZINC000012602411	291041871	/nfs/dbraw/zinc/04/18/71/291041871.db2.gz	QWIUHMXLXYWALV-YTQUADARSA-N	2	0	363.527	1.304	40	0	biogenic,in-vitro	FDABRP
COc1cccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019564740	211233829	/nfs/dbraw/zinc/23/38/29/211233829.db2.gz	HFFOXCDTMBBQSS-HNNXBMFYSA-N	2	0	352.442	1.783	40	0		FDABRP
CCN(CC)C(=O)CN1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1	ZINC000019739117	518831441	/nfs/dbraw/zinc/83/14/41/518831441.db2.gz	CHUWQJJRESBDJU-KRWDZBQOSA-N	2	0	359.518	1.457	40	0		FDABRP
C[NH+](C)CCNC(=O)c1nc(-c2ccn(CC[NH+](C)C)c2)n2ccccc12	ZINC000306127371	210050403	/nfs/dbraw/zinc/05/04/03/210050403.db2.gz	FWWNXMMAOYFZOZ-UHFFFAOYSA-N	2	0	368.485	1.656	40	0		FDABRP
O=C(C1CC[NH2+]CC1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1	ZINC000257277469	223048359	/nfs/dbraw/zinc/04/83/59/223048359.db2.gz	NYCOMGIXTNIJLO-KRWDZBQOSA-N	2	0	359.461	1.461	40	0		FDABRP
C[NH+](C)CCCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582339	211237764	/nfs/dbraw/zinc/23/77/64/211237764.db2.gz	KFCBASITBHQWQU-KXBFYZLASA-N	2	0	364.490	1.159	40	0		FDABRP
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2	ZINC000019710630	211247297	/nfs/dbraw/zinc/24/72/97/211247297.db2.gz	LGFIZPAGFWFAFY-QGZVFWFLSA-N	2	0	374.533	1.744	40	0		FDABRP
CC[NH+](CC)CCn1c2ccccc2c(=O)n(CC[NH+](CC)CC)c1=O	ZINC000001608633	210361522	/nfs/dbraw/zinc/36/15/22/210361522.db2.gz	AXDCLGFGKORUQH-UHFFFAOYSA-N	2	0	360.502	1.847	40	0		FDABRP
O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2O1)NCC[NH+]1CCCC1	ZINC000096220723	222083462	/nfs/dbraw/zinc/08/34/62/222083462.db2.gz	BTOKIRQDPUBCBD-GBESFXJTSA-N	2	0	358.486	1.273	40	0		FDABRP
C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000072394722	522230447	/nfs/dbraw/zinc/23/04/47/522230447.db2.gz	ZKDGKJDMLMKKAY-MOPGFXCFSA-N	2	0	353.466	1.908	40	0		FDABRP
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)C2(C[NH3+])C[NH3+])cc1	ZINC000218168002	537461611	/nfs/dbraw/zinc/46/16/11/537461611.db2.gz	SKANLEXBWIVOHE-ROUUACIJSA-N	2	0	374.462	1.567	40	0		FDABRP
CCn1cc(C[NH+]2CCC3(C[N@H+](CCOC)C[C@H]3COC)CC2)cn1	ZINC000585103258	551571605	/nfs/dbraw/zinc/57/16/05/551571605.db2.gz	NVDDCQUXPOBLNC-SFHVURJKSA-N	2	0	350.507	1.710	40	0		FDABRP
C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](C)C3)CC2)C1	ZINC000013084594	220057445	/nfs/dbraw/zinc/05/74/45/220057445.db2.gz	PXZFTQIYTKXVSW-QZTJIDSGSA-N	2	0	364.534	1.121	40	0		FDABRP
COc1ccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1	ZINC000019554905	220272036	/nfs/dbraw/zinc/27/20/36/220272036.db2.gz	KUSZROZRACRELO-HNNXBMFYSA-N	2	0	352.442	1.783	40	0		FDABRP
Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)N(C)[C@H]3C2)s1	ZINC000096182618	222069587	/nfs/dbraw/zinc/06/95/87/222069587.db2.gz	DLMDTIOQUHLTQL-OIISXLGYSA-N	2	0	350.532	1.239	40	0		FDABRP
C[NH+]1CCN(c2cc(C(=O)NC(C)(C)C[NH+]3CCCCC3)ccn2)CC1	ZINC000019662589	518824194	/nfs/dbraw/zinc/82/41/94/518824194.db2.gz	CFGQTLVRCKVZJL-UHFFFAOYSA-N	2	0	359.518	1.828	40	0		FDABRP
COc1ccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1	ZINC000019554901	220271853	/nfs/dbraw/zinc/27/18/53/220271853.db2.gz	KUSZROZRACRELO-OAHLLOKOSA-N	2	0	352.442	1.783	40	0		FDABRP
COc1cccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019564736	220273980	/nfs/dbraw/zinc/27/39/80/220273980.db2.gz	HFFOXCDTMBBQSS-OAHLLOKOSA-N	2	0	352.442	1.783	40	0		FDABRP
C[NH+](C)CCN(C(=O)Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1	ZINC000012238236	219973281	/nfs/dbraw/zinc/97/32/81/219973281.db2.gz	VGKFVICDBMUSFQ-UHFFFAOYSA-N	2	0	361.486	1.485	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21	ZINC000019346763	220251606	/nfs/dbraw/zinc/25/16/06/220251606.db2.gz	JWAUMHDTKBXJLO-INIZCTEOSA-N	2	0	370.501	1.500	40	0		FDABRP
C[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)C1	ZINC000004895370	518316456	/nfs/dbraw/zinc/31/64/56/518316456.db2.gz	PXZFTQIYTKXVSW-ROUUACIJSA-N	2	0	364.534	1.121	40	0		FDABRP
Cc1ccccc1C[NH+]1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1	ZINC000044913698	522017856	/nfs/dbraw/zinc/01/78/56/522017856.db2.gz	HRNSZOGXOYJVBA-UHFFFAOYSA-N	2	0	372.557	1.961	40	0		FDABRP
O[C@H]1[C@H](C[NH+]2CCC(F)(F)CC2)OC[C@@H]1[NH2+]C1Cc2ccccc2C1	ZINC000514289122	560033120	/nfs/dbraw/zinc/03/31/20/560033120.db2.gz	UWWVMMPOWFIDET-OKZBNKHCSA-N	2	0	352.425	1.603	40	0	biogenic,in-vitro	FDABRP
COc1cccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1F	ZINC000655558396	809672437	/nfs/dbraw/zinc/67/24/37/809672437.db2.gz	QNGWEGFXYJRLML-UHFFFAOYSA-N	2	0	373.494	1.481	40	0		FDABRP
C[NH+](C)CCCNc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329029818	223129399	/nfs/dbraw/zinc/12/93/99/223129399.db2.gz	QBXMKRYCAFBNMA-UHFFFAOYSA-N	2	0	374.455	1.504	40	0		FDABRP
Cc1nn(C)cc1CN1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1	ZINC000019739024	518831687	/nfs/dbraw/zinc/83/16/87/518831687.db2.gz	GYXZMKUMEZZKKL-QGZVFWFLSA-N	2	0	354.502	1.831	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)c2cnccn2)[nH+]1	ZINC000019698174	518825556	/nfs/dbraw/zinc/82/55/56/518825556.db2.gz	GQLQUNOKPAFQEG-LJQANCHMSA-N	2	0	366.469	1.909	40	0		FDABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)COC(C)C)C2)[nH+]1	ZINC000019739106	518832348	/nfs/dbraw/zinc/83/23/48/518832348.db2.gz	YQAXWIVMSIOHDA-QGZVFWFLSA-N	2	0	360.502	1.883	40	0		FDABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)n1	ZINC000329012094	223129054	/nfs/dbraw/zinc/12/90/54/223129054.db2.gz	MJFZHMYPUAXBGV-UHFFFAOYSA-N	2	0	369.517	1.158	40	0		FDABRP
C[C@@H]([NH2+]CCCN(CCC[NH3+])CC[NH+](C)C)c1cccc([C@H](C)O)n1	ZINC000068606245	221316852	/nfs/dbraw/zinc/31/68/52/221316852.db2.gz	RKLOQNYOPIWXFS-SJORKVTESA-N	3	0	351.539	1.388	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=N[C@H]2c1cccc(Cl)c1	ZINC000104280024	222354327	/nfs/dbraw/zinc/35/43/27/222354327.db2.gz	XDFXMNGEVIQLTH-MRXNPFEDSA-N	2	0	372.860	1.781	40	0		FDABRP
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@@H]2c1ccccc1	ZINC000009289396	518501641	/nfs/dbraw/zinc/50/16/41/518501641.db2.gz	QXCQHEMXBGGWCT-SFHVURJKSA-N	2	0	366.469	1.956	40	0		FDABRP
O=C(C[NH+]1CCCCCC1)N1CCc2nnc([C@H]3CCC[NH2+]C3)n2CC1	ZINC000072370883	522224420	/nfs/dbraw/zinc/22/44/20/522224420.db2.gz	QREZMHQCRVMBCH-INIZCTEOSA-N	2	0	360.506	1.006	40	0		FDABRP
COC[C@H]1C[N@H+](Cc2cccs2)CC12CCN(C(=O)C[NH+](C)C)CC2	ZINC000585102901	551571571	/nfs/dbraw/zinc/57/15/71/551571571.db2.gz	HHSOBXCCIIRKBA-MRXNPFEDSA-N	2	0	365.543	1.997	40	0		FDABRP
CCN(CC)C(=O)CN1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1	ZINC000019739116	518832315	/nfs/dbraw/zinc/83/23/15/518832315.db2.gz	CHUWQJJRESBDJU-QGZVFWFLSA-N	2	0	359.518	1.457	40	0		FDABRP