smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccc(OC)c(Cn4cccn4)c3)C2)c1	ZINC000019781694	963375372	/nfs/dbraw/zinc/37/53/72/963375372.db2.gz	MHXKVSZEXQDGOH-HSZRJFAPSA-N	1	0	420.557	3.703	50	10		HHCARO
COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CC[NH+](C)CC4)cc3)on2)cc1	ZINC000012401868	132359417	/nfs/dbraw/zinc/35/94/17/132359417.db2.gz	JIDSIXVZLZNGJO-KRWDZBQOSA-N	1	0	420.513	3.593	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1	ZINC000020536307	524435147	/nfs/dbraw/zinc/43/51/47/524435147.db2.gz	CREACZBXUYCVSN-FQEVSTJZSA-N	1	0	401.501	3.760	50	10		HHCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000002965878	557777429	/nfs/dbraw/zinc/77/74/29/557777429.db2.gz	RXQDWQYKBHPFOA-FQEVSTJZSA-N	1	0	405.927	3.528	50	10		HHCARO
COc1cccc2c(O)c([C@H](c3cccc(OC)c3OC)[NH+]3CCN(C)CC3)ccc12	ZINC000020648100	558397537	/nfs/dbraw/zinc/39/75/37/558397537.db2.gz	QNKYBIGRSDDRSM-HSZRJFAPSA-N	1	0	422.525	3.908	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(OC)ccc4F)C3)CC2)cc1	ZINC000020784515	558413587	/nfs/dbraw/zinc/41/35/87/558413587.db2.gz	YBDINVRDPHKWIC-NRFANRHFSA-N	1	0	413.537	3.630	50	10		HHCARO
O=C1C(=CNCC2CC[NH2+]CC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000100437499	559200698	/nfs/dbraw/zinc/20/06/98/559200698.db2.gz	DZVCUEMNAIRPIP-OBGWFSINSA-N	1	0	417.538	3.520	50	10		HHCARO
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000096006418	568682644	/nfs/dbraw/zinc/68/26/44/568682644.db2.gz	HWOSFDZRMGBETF-XMMPIXPASA-N	1	0	403.526	3.591	50	10		HHCARO
O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@H]43)c2o1	ZINC000526052537	569239777	/nfs/dbraw/zinc/23/97/77/569239777.db2.gz	MJNBWCXFQYNSNU-HSJYVMOXSA-N	1	0	406.526	3.894	50	10		HHCARO
Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1	ZINC000013007816	569406714	/nfs/dbraw/zinc/40/67/14/569406714.db2.gz	AJAFXHWMRWJPAE-DEOSSOPVSA-N	1	0	407.558	3.710	50	10		HHCARO
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000013008168	132451504	/nfs/dbraw/zinc/45/15/04/132451504.db2.gz	DYIZXVPKUQKHSF-HXUWFJFHSA-N	1	0	401.938	3.764	50	10		HHCARO
COc1ccc(N2CCN(C(=O)CC[NH2+][C@H](c3cccs3)C(C)C)CC2)cc1	ZINC000032776753	524408672	/nfs/dbraw/zinc/40/86/72/524408672.db2.gz	QYFVXFCWVFJKCH-QFIPXVFZSA-N	1	0	401.576	3.782	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=S)Nc3c(C)cccc3C)CC2)cc1	ZINC000004791717	536696382	/nfs/dbraw/zinc/69/63/82/536696382.db2.gz	AMGXBVFXJSQSFQ-UHFFFAOYSA-N	1	0	412.603	3.811	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3Cl)CC2)cc1	ZINC000004791706	536696402	/nfs/dbraw/zinc/69/64/02/536696402.db2.gz	GCBDCCIKZVCEDQ-UHFFFAOYSA-N	1	0	402.926	3.682	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1	ZINC000020118053	558336737	/nfs/dbraw/zinc/33/67/37/558336737.db2.gz	FXRTXSDYSHZCAI-SFHVURJKSA-N	1	0	419.491	3.899	50	10		HHCARO
O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1	ZINC000014197260	558634052	/nfs/dbraw/zinc/63/40/52/558634052.db2.gz	HSSKUIJZOMYDNM-UHFFFAOYSA-N	1	0	404.466	3.807	50	10		HHCARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1O	ZINC000016877113	558808744	/nfs/dbraw/zinc/80/87/44/558808744.db2.gz	FVZVECOUKUAELQ-UHFFFAOYSA-N	1	0	424.541	3.947	50	10		HHCARO
O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@@H]56)[C@H]43)c2o1	ZINC000526052538	560640186	/nfs/dbraw/zinc/64/01/86/560640186.db2.gz	MJNBWCXFQYNSNU-ORVPSHMPSA-N	1	0	406.526	3.894	50	10		HHCARO
CC(C)(C)c1c(O)c(CN2CCOCC2(C)C)cc(O)c1C[N@@H+]1CCOCC1(C)C	ZINC000095985521	568675835	/nfs/dbraw/zinc/67/58/35/568675835.db2.gz	RDJGKVPPARHTNF-UHFFFAOYSA-N	1	0	420.594	3.617	50	10		HHCARO
COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c(O)c1	ZINC000299787818	568875654	/nfs/dbraw/zinc/87/56/54/568875654.db2.gz	RACDLZUXOPIZRK-UXHICEINSA-N	1	0	418.534	3.800	50	10		HHCARO
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000006517570	569042731	/nfs/dbraw/zinc/04/27/31/569042731.db2.gz	FJKKGIYVDZUNMO-VJTSUQJLSA-N	1	0	413.606	3.823	50	10	biogenic	HHCARO
COCCC[N@@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729194	569051546	/nfs/dbraw/zinc/05/15/46/569051546.db2.gz	IDVMIFUOORNCTR-PZJWPPBQSA-N	1	0	414.546	3.602	50	10		HHCARO
Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)c1	ZINC000065257029	569208522	/nfs/dbraw/zinc/20/85/22/569208522.db2.gz	OIKPOSIIOQJLRL-OAQYLSRUSA-N	1	0	420.488	3.856	50	10		HHCARO
CN(C)c1ccc(/C=C2/C[N@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000252617561	569301749	/nfs/dbraw/zinc/30/17/49/569301749.db2.gz	KVNFFOLWJOTXDB-YBARDXGBSA-N	1	0	403.574	3.806	50	10		HHCARO
COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1	ZINC000014977316	962616764	/nfs/dbraw/zinc/61/67/64/962616764.db2.gz	PBOAHENZCSLJNE-QGZVFWFLSA-N	1	0	402.502	3.680	50	10		HHCARO
COc1ccc(N2CCN(C(=O)CC[N@H+]3CC=C(c4ccccc4)CC3)CC2)cc1	ZINC000032776716	524407598	/nfs/dbraw/zinc/40/75/98/524407598.db2.gz	GKTBGGCABRZMHP-UHFFFAOYSA-N	1	0	405.542	3.523	50	10		HHCARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3ccccc3OC)CC2)c1O	ZINC000016833960	558807891	/nfs/dbraw/zinc/80/78/91/558807891.db2.gz	CKVNGLLRMSYWIV-UHFFFAOYSA-N	1	0	406.482	3.663	50	10		HHCARO
COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1OC	ZINC000022418432	568767934	/nfs/dbraw/zinc/76/79/34/568767934.db2.gz	HYQOSCGUNOJNFV-FQEVSTJZSA-N	1	0	412.534	3.728	50	10		HHCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@H](c3cccs3)c3ccccc3)CC2)cc1	ZINC000057435070	568836628	/nfs/dbraw/zinc/83/66/28/568836628.db2.gz	HZJCRNNVIDYIIT-DEOSSOPVSA-N	1	0	421.566	3.785	50	10		HHCARO
CN1CCCc2cc([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21	ZINC000035597171	569045633	/nfs/dbraw/zinc/04/56/33/569045633.db2.gz	GJKNYCMDYHEMMP-OAQYLSRUSA-N	1	0	422.529	3.756	50	10		HHCARO
Cc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1C1CC[NH+](C)CC1	ZINC000065257268	569208730	/nfs/dbraw/zinc/20/87/30/569208730.db2.gz	RPSWCXQADALAIF-UHFFFAOYSA-N	1	0	409.578	3.687	50	10		HHCARO
CC(C)[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1ccccc1O)N2	ZINC000065297921	569219174	/nfs/dbraw/zinc/21/91/74/569219174.db2.gz	DKNBTSNKQUQKMF-HXUWFJFHSA-N	1	0	407.514	3.845	50	10	biogenic	HHCARO
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298397	569219429	/nfs/dbraw/zinc/21/94/29/569219429.db2.gz	OHTUCLLAZHWLQS-NRFANRHFSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838250	569264055	/nfs/dbraw/zinc/26/40/55/569264055.db2.gz	IELZTMNXOJUTOQ-DEOSSOPVSA-N	1	0	407.558	3.710	50	10		HHCARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)[NH+](C)C)ccc21	ZINC000013008182	569406786	/nfs/dbraw/zinc/40/67/86/569406786.db2.gz	MXXWFVKZUQDXLA-FQEVSTJZSA-N	1	0	416.363	3.864	50	10		HHCARO
C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC3)C[C@H](C)O1	ZINC000011965165	962215412	/nfs/dbraw/zinc/21/54/12/962215412.db2.gz	GVGNLJJWMZROOS-JRKQAWROSA-N	1	0	411.590	3.504	50	10		HHCARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc(C(C)=O)c4)C3)CC2)cc1	ZINC000020906797	558420994	/nfs/dbraw/zinc/42/09/94/558420994.db2.gz	TUYCMZGYPAETAZ-DEOSSOPVSA-N	1	0	407.558	3.684	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(O)c(Cl)c4)C3)CC2)cc1	ZINC000023373665	558553691	/nfs/dbraw/zinc/55/36/91/558553691.db2.gz	IZLKPTFHBUGRLJ-HXUWFJFHSA-N	1	0	415.965	3.841	50	10		HHCARO
CN(C)c1ccc(/C=C/C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1	ZINC000014990521	558693956	/nfs/dbraw/zinc/69/39/56/558693956.db2.gz	ANPFMFOWQIPSPK-RMKNXTFCSA-N	1	0	401.558	3.701	50	10		HHCARO
COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1	ZINC000039413127	558821163	/nfs/dbraw/zinc/82/11/63/558821163.db2.gz	XXULDPCLMYZXSD-IBGZPJMESA-N	1	0	422.525	3.988	50	10		HHCARO
CCN1CCC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CC[NH+](CCOC)CC1	ZINC000019229268	558853372	/nfs/dbraw/zinc/85/33/72/558853372.db2.gz	RGJOPSQCDWZHPI-JOCHJYFZSA-N	1	0	424.029	3.690	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1	ZINC000055568661	558882733	/nfs/dbraw/zinc/88/27/33/558882733.db2.gz	KRJFBFCJZLWECQ-LJQANCHMSA-N	1	0	413.949	3.775	50	10		HHCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000015970838	569025209	/nfs/dbraw/zinc/02/52/09/569025209.db2.gz	FJKKGIYVDZUNMO-QLBJFCOMSA-N	1	0	413.606	3.823	50	10		HHCARO
CN1CCCc2cc([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21	ZINC000035597172	569045665	/nfs/dbraw/zinc/04/56/65/569045665.db2.gz	GJKNYCMDYHEMMP-NRFANRHFSA-N	1	0	422.529	3.756	50	10		HHCARO
O=C1C(=CNCC2CC[NH2+]CC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000013756772	569257673	/nfs/dbraw/zinc/25/76/73/569257673.db2.gz	DZVCUEMNAIRPIP-SDXDJHTJSA-N	1	0	417.538	3.520	50	10		HHCARO
CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccc4ccccc43)[NH+](C)C)ccc21	ZINC000008798895	571120405	/nfs/dbraw/zinc/12/04/05/571120405.db2.gz	YHADBJLEJJKGFP-HSZRJFAPSA-N	1	0	423.582	3.803	50	10		HHCARO
CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccc4ccccc43)[NH+](C)C)ccc21	ZINC000008798896	571120496	/nfs/dbraw/zinc/12/04/96/571120496.db2.gz	YHADBJLEJJKGFP-QHCPKHFHSA-N	1	0	423.582	3.803	50	10		HHCARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)[NH+]3CCCC3)ccc21	ZINC000008963324	571190368	/nfs/dbraw/zinc/19/03/68/571190368.db2.gz	DWXJMHNUOUQJLP-KRWDZBQOSA-N	1	0	418.335	3.601	50	10		HHCARO
CCN(CC)c1ccc(C[N@H+]2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)cc1	ZINC000012244743	962257598	/nfs/dbraw/zinc/25/75/98/962257598.db2.gz	URUBMTLTGOYIPJ-UHFFFAOYSA-N	1	0	423.557	3.554	50	10		HHCARO
COc1cccc(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCCC3)C2)c1O	ZINC000169765164	970474055	/nfs/dbraw/zinc/47/40/55/970474055.db2.gz	JQEYTRKMVZULDV-IBGZPJMESA-N	1	0	424.541	3.928	50	10		HHCARO
COc1cccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)c1O	ZINC000169765253	970474246	/nfs/dbraw/zinc/47/42/46/970474246.db2.gz	YGSMMEDHYKZKIL-QGZVFWFLSA-N	1	0	410.514	3.584	50	10		HHCARO
CN(C)c1ccc([C@H](CNC(=O)C2=C(c3ccccc3)SCCO2)[NH+](C)C)cc1	ZINC000020745531	558410265	/nfs/dbraw/zinc/41/02/65/558410265.db2.gz	CWFHKWRKWRLDFQ-FQEVSTJZSA-N	1	0	411.571	3.604	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1	ZINC000055576326	558883147	/nfs/dbraw/zinc/88/31/47/558883147.db2.gz	YKVOSMKHPGVYJX-HSZRJFAPSA-N	1	0	419.569	3.540	50	10		HHCARO
CSc1ccc2c(c1)[C@@H](N1CC[NH+](CCCO)CC1)Cc1ccc(O)cc1S2	ZINC000022590954	559015043	/nfs/dbraw/zinc/01/50/43/559015043.db2.gz	HLZPAJSIDRQQSZ-FQEVSTJZSA-N	1	0	416.612	3.863	50	10		HHCARO
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000100163388	559131354	/nfs/dbraw/zinc/13/13/54/559131354.db2.gz	XNMSTRKGDGAZLH-NBVRZTHBSA-N	1	0	413.522	3.880	50	10		HHCARO
Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c1	ZINC000065257020	569208570	/nfs/dbraw/zinc/20/85/70/569208570.db2.gz	NOOIFNGYDOBFHH-NRFANRHFSA-N	1	0	420.488	3.856	50	10		HHCARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cccc(OC)c3O)C2)cc1	ZINC000065298242	569219309	/nfs/dbraw/zinc/21/93/09/569219309.db2.gz	RKIHSYVGJQBIJU-OAQYLSRUSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)[NH+]3CCCC3)ccc21	ZINC000008963323	571190497	/nfs/dbraw/zinc/19/04/97/571190497.db2.gz	DWXJMHNUOUQJLP-QGZVFWFLSA-N	1	0	418.335	3.601	50	10		HHCARO
CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000022914606	963739078	/nfs/dbraw/zinc/73/90/78/963739078.db2.gz	ZBBMACQSQXAEQK-QHCPKHFHSA-N	1	0	407.558	3.981	50	10		HHCARO
COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Br)cc3)C2)cc1	ZINC000002921933	557772237	/nfs/dbraw/zinc/77/22/37/557772237.db2.gz	RPHBRNMVYRRLOM-IBGZPJMESA-N	1	0	420.352	3.628	50	10		HHCARO
COc1ccc(N2CCC([NH2+]Cc3c(Cl)cccc3N3CCOCC3)CC2)cc1	ZINC000240225419	568730123	/nfs/dbraw/zinc/73/01/23/568730123.db2.gz	DHRPUIWJGHVVEC-UHFFFAOYSA-N	1	0	415.965	3.944	50	10		HHCARO
CN1CCc2cc([C@@H](CNC(=O)COc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007829	569406619	/nfs/dbraw/zinc/40/66/19/569406619.db2.gz	QUSJOGXMHAAQPG-HSZRJFAPSA-N	1	0	411.521	3.540	50	10		HHCARO
Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)cc1	ZINC000009548586	571267853	/nfs/dbraw/zinc/26/78/53/571267853.db2.gz	NULJRFGKZKJIST-UHFFFAOYSA-N	1	0	410.539	3.750	50	10		HHCARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+]2CCN(C)CC2)c2ccccc12	ZINC000101020624	969195230	/nfs/dbraw/zinc/19/52/30/969195230.db2.gz	DGWVQSXPOCYLMR-XQNSMLJCSA-N	1	0	413.525	3.652	50	10		HHCARO
COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000040416070	522736669	/nfs/dbraw/zinc/73/66/69/522736669.db2.gz	SVVFLKOQHDDJAF-UHFFFAOYSA-N	1	0	406.885	3.829	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(SC)cc3)CC2)cc1	ZINC000004792128	536697334	/nfs/dbraw/zinc/69/73/34/536697334.db2.gz	PDYNEHPXIDKNAK-UHFFFAOYSA-N	1	0	414.575	3.751	50	10		HHCARO
O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1	ZINC000034681673	557383387	/nfs/dbraw/zinc/38/33/87/557383387.db2.gz	UGXRWTKBHZWLJJ-UHFFFAOYSA-N	1	0	420.488	3.891	50	10		HHCARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000023375066	558554593	/nfs/dbraw/zinc/55/45/93/558554593.db2.gz	XQYGSPWTMYUSTE-OAQYLSRUSA-N	1	0	403.929	3.971	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1	ZINC000055576328	558883186	/nfs/dbraw/zinc/88/31/86/558883186.db2.gz	YKVOSMKHPGVYJX-QHCPKHFHSA-N	1	0	419.569	3.540	50	10		HHCARO
Cc1cc(NC(=O)C[N@@H+](C)Cc2c(O)ccc3cc(Br)ccc32)no1	ZINC000095469822	568625917	/nfs/dbraw/zinc/62/59/17/568625917.db2.gz	RUHIZYBWSGCIBK-UHFFFAOYSA-N	1	0	404.264	3.675	50	10		HHCARO
O[C@@]1(c2ccc(Br)cc2)CN2CCCSC2=[N+]1Cc1ccccc1	ZINC000004176393	568948799	/nfs/dbraw/zinc/94/87/99/568948799.db2.gz	UDEVLSIWPAIGBA-LJQANCHMSA-N	1	0	404.353	3.615	50	10		HHCARO
COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc(OC)c1	ZINC000035597215	569045647	/nfs/dbraw/zinc/04/56/47/569045647.db2.gz	KTYVHRCYPRSDFE-HSZRJFAPSA-N	1	0	424.545	3.655	50	10		HHCARO
C[NH+](C)CCCNc1cc(N2CCCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000006664094	569085735	/nfs/dbraw/zinc/08/57/35/569085735.db2.gz	ZLGJUHXQTRRWRU-UHFFFAOYSA-N	1	0	420.557	3.788	50	10		HHCARO
CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000022914601	963739138	/nfs/dbraw/zinc/73/91/38/963739138.db2.gz	ZBBMACQSQXAEQK-HSZRJFAPSA-N	1	0	407.558	3.981	50	10		HHCARO
CN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1	ZINC000012597599	132364851	/nfs/dbraw/zinc/36/48/51/132364851.db2.gz	VARBEDFSGBBMKN-UHFFFAOYSA-N	1	0	423.557	3.539	50	10		HHCARO
COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1	ZINC000020255059	524085240	/nfs/dbraw/zinc/08/52/40/524085240.db2.gz	ZKHYBFRIRDPOQM-JOCHJYFZSA-N	1	0	408.521	3.833	50	10		HHCARO
COc1ccc([C@H](c2ccc3c(OC)cccc3c2O)[NH+]2CCN(C)CC2)cc1OC	ZINC000020647536	558397398	/nfs/dbraw/zinc/39/73/98/558397398.db2.gz	NZGNRGKEHRTWHZ-XMMPIXPASA-N	1	0	422.525	3.908	50	10		HHCARO
COc1ccc([C@@H](c2ccc3c(OC)cccc3c2O)[NH+]2CCN(C)CC2)cc1OC	ZINC000020647539	558397574	/nfs/dbraw/zinc/39/75/74/558397574.db2.gz	NZGNRGKEHRTWHZ-DEOSSOPVSA-N	1	0	422.525	3.908	50	10		HHCARO
COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1	ZINC000039413126	558821084	/nfs/dbraw/zinc/82/10/84/558821084.db2.gz	XXULDPCLMYZXSD-LJQANCHMSA-N	1	0	422.525	3.988	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1	ZINC000023224606	559062539	/nfs/dbraw/zinc/06/25/39/559062539.db2.gz	RRGUEBZWXJAPMN-SWCONJRYSA-N	1	0	404.595	3.800	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(Cl)cc3)CC2)cc1	ZINC000012557370	536697351	/nfs/dbraw/zinc/69/73/51/536697351.db2.gz	JTVCVLQFFXAGSJ-UHFFFAOYSA-N	1	0	402.926	3.682	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(OC)cc4F)C3)CC2)cc1	ZINC000019745613	558266076	/nfs/dbraw/zinc/26/60/76/558266076.db2.gz	LMACYYFPBJDBFR-OAQYLSRUSA-N	1	0	413.537	3.630	50	10		HHCARO
c1ccc(CCc2nnc3n2CC[N@@H+](Cc2ccc(N4CCCC4)cc2)CC3)cc1	ZINC000012219020	558354803	/nfs/dbraw/zinc/35/48/03/558354803.db2.gz	PNCLCUPDKJZTSG-UHFFFAOYSA-N	1	0	401.558	3.722	50	10		HHCARO
COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3O)C2)c(OC)c1	ZINC000012459550	558418840	/nfs/dbraw/zinc/41/88/40/558418840.db2.gz	VRBITGXGVUXOAO-GOSISDBHSA-N	1	0	412.530	3.718	50	10		HHCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000015970834	569025237	/nfs/dbraw/zinc/02/52/37/569025237.db2.gz	FJKKGIYVDZUNMO-ICDZXHCJSA-N	1	0	413.606	3.823	50	10		HHCARO
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298371	569219384	/nfs/dbraw/zinc/21/93/84/569219384.db2.gz	OBXFFIARFRKNQD-OAQYLSRUSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccccc3O)CC2)c1	ZINC000015065316	962645277	/nfs/dbraw/zinc/64/52/77/962645277.db2.gz	NYRSCYABJKOWFF-UHFFFAOYSA-N	1	0	410.514	3.680	50	10		HHCARO
COc1ccc(O)c(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1	ZINC000023375546	963810943	/nfs/dbraw/zinc/81/09/43/963810943.db2.gz	UEYTVSUHDQVAOW-HXUWFJFHSA-N	1	0	414.546	3.557	50	10		HHCARO
COc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1OC	ZINC000002966028	557777644	/nfs/dbraw/zinc/77/76/44/557777644.db2.gz	JWNSIYQELRYPCB-HXUWFJFHSA-N	1	0	405.927	3.528	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1	ZINC000020109651	558334728	/nfs/dbraw/zinc/33/47/28/558334728.db2.gz	TWTHONKUBNGVOX-NRFANRHFSA-N	1	0	412.574	3.863	50	10		HHCARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022589358	568771187	/nfs/dbraw/zinc/77/11/87/568771187.db2.gz	OQSNVTNKJIGDTJ-RUZDIDTESA-N	1	0	416.569	3.624	50	10		HHCARO
COc1cc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc(OC)c1	ZINC000035597216	569045618	/nfs/dbraw/zinc/04/56/18/569045618.db2.gz	KTYVHRCYPRSDFE-QHCPKHFHSA-N	1	0	424.545	3.655	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)cc1	ZINC000239434054	569054406	/nfs/dbraw/zinc/05/44/06/569054406.db2.gz	YXWLUFJYUXOUAJ-BKXMBWNOSA-N	1	0	404.595	3.656	50	10		HHCARO
CC[NH+](CC)CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S	ZINC000002371406	569388832	/nfs/dbraw/zinc/38/88/32/569388832.db2.gz	RNXFQWWAXQKDFK-PDGQHHTCSA-N	1	0	424.588	3.646	50	10		HHCARO
CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137370	536397450	/nfs/dbraw/zinc/39/74/50/536397450.db2.gz	ABKZANFARJRCMK-DEOSSOPVSA-N	1	0	407.558	3.791	50	10		HHCARO
CN(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1	ZINC000034681838	557383676	/nfs/dbraw/zinc/38/36/76/557383676.db2.gz	ZXUJASWNPGKLPX-UHFFFAOYSA-N	1	0	409.578	3.845	50	10		HHCARO
COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)[N@@H+]4CCC[C@@]34C2=O)c1	ZINC000011937262	558301081	/nfs/dbraw/zinc/30/10/81/558301081.db2.gz	ARZBEGOCWZQDMX-OPHFCASCSA-N	1	0	405.542	3.699	50	10		HHCARO
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2O)CC1	ZINC000012386724	558395577	/nfs/dbraw/zinc/39/55/77/558395577.db2.gz	YMBAUZGLEIRPQO-UHFFFAOYSA-N	1	0	406.486	3.687	50	10		HHCARO
Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000020665857	558398063	/nfs/dbraw/zinc/39/80/63/558398063.db2.gz	NGUKCYFKZZKFPZ-UHFFFAOYSA-N	1	0	403.526	3.919	50	10		HHCARO
CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1O	ZINC000014958893	558683380	/nfs/dbraw/zinc/68/33/80/558683380.db2.gz	TWIWULNQYFBWSZ-UHFFFAOYSA-N	1	0	400.523	3.809	50	10		HHCARO
Oc1c(CN2CC[NH+](Cc3ccc4cccnc4c3O)CC2)ccc2cccnc21	ZINC000019638957	558947769	/nfs/dbraw/zinc/94/77/69/558947769.db2.gz	LOSGJNZYKIXCBE-UHFFFAOYSA-N	1	0	400.482	3.512	50	10	biogenic	HHCARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cccc(OC)c3O)C2)cc1	ZINC000065298240	569219235	/nfs/dbraw/zinc/21/92/35/569219235.db2.gz	RKIHSYVGJQBIJU-NRFANRHFSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838248	569264042	/nfs/dbraw/zinc/26/40/42/569264042.db2.gz	IELZTMNXOJUTOQ-XMMPIXPASA-N	1	0	407.558	3.710	50	10		HHCARO
CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000009135468	132228509	/nfs/dbraw/zinc/22/85/09/132228509.db2.gz	OQGAHKDITOGQKQ-QHCPKHFHSA-N	1	0	422.573	3.550	50	10		HHCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000012553650	132363255	/nfs/dbraw/zinc/36/32/55/132363255.db2.gz	OKYYWPSKHJQUFR-INIZCTEOSA-N	1	0	421.463	3.713	50	10		HHCARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21	ZINC000009137917	536397354	/nfs/dbraw/zinc/39/73/54/536397354.db2.gz	GWFGAOPICZRUJZ-QFIPXVFZSA-N	1	0	421.541	3.755	50	10		HHCARO
COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1	ZINC000020255062	558351874	/nfs/dbraw/zinc/35/18/74/558351874.db2.gz	ZKHYBFRIRDPOQM-QFIPXVFZSA-N	1	0	408.521	3.833	50	10		HHCARO
O=C(CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)Nc1ccccc1Cl	ZINC000020636886	558396522	/nfs/dbraw/zinc/39/65/22/558396522.db2.gz	SQWHURNUKRHARS-UHFFFAOYSA-N	1	0	409.917	3.955	50	10		HHCARO
COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc(OC)cc4O)CC3)on2)c1	ZINC000012579163	558431849	/nfs/dbraw/zinc/43/18/49/558431849.db2.gz	FDDZTXWUJRYTAP-UHFFFAOYSA-N	1	0	424.497	3.634	50	10		HHCARO
COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1Cn1cccn1	ZINC000019226772	558852796	/nfs/dbraw/zinc/85/27/96/558852796.db2.gz	OMZJMZFUIPWPHW-OAQYLSRUSA-N	1	0	414.513	3.688	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)cc1	ZINC000239434056	569054409	/nfs/dbraw/zinc/05/44/09/569054409.db2.gz	YXWLUFJYUXOUAJ-RXOYHEDQSA-N	1	0	404.595	3.656	50	10		HHCARO
CCOc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838216	569264009	/nfs/dbraw/zinc/26/40/09/569264009.db2.gz	UFFCIHAXOIITPT-VWLOTQADSA-N	1	0	421.585	3.964	50	10		HHCARO
COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838208	569264051	/nfs/dbraw/zinc/26/40/51/569264051.db2.gz	AOJLPWFGORECCA-VWLOTQADSA-N	1	0	421.585	3.964	50	10		HHCARO
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000013008171	569406767	/nfs/dbraw/zinc/40/67/67/569406767.db2.gz	DYIZXVPKUQKHSF-FQEVSTJZSA-N	1	0	401.938	3.764	50	10		HHCARO
COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963244	571190508	/nfs/dbraw/zinc/19/05/08/571190508.db2.gz	ACFJRNGHEIOIAQ-DEOSSOPVSA-N	1	0	407.558	3.573	50	10		HHCARO
C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC3)C[C@H](C)O1	ZINC000011965163	962215826	/nfs/dbraw/zinc/21/58/26/962215826.db2.gz	GVGNLJJWMZROOS-UBQYAXCDSA-N	1	0	411.590	3.504	50	10		HHCARO
CCOCc1cc(C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)ccc1OC	ZINC000019744955	558265475	/nfs/dbraw/zinc/26/54/75/558265475.db2.gz	YXXFEFCXBIQHGI-LJFZDNNRSA-N	1	0	416.537	3.514	50	10		HHCARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000011664185	558267833	/nfs/dbraw/zinc/26/78/33/558267833.db2.gz	OBFBIQCKTGQGSR-QGZVFWFLSA-N	1	0	406.486	3.642	50	10		HHCARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1	ZINC000019939045	558313257	/nfs/dbraw/zinc/31/32/57/558313257.db2.gz	PUERMKCIIAEHRU-QHCPKHFHSA-N	1	0	409.574	3.804	50	10		HHCARO
COc1cccc2c(O)c([C@@H](c3cccc(OC)c3OC)[NH+]3CCN(C)CC3)ccc12	ZINC000020648097	558397552	/nfs/dbraw/zinc/39/75/52/558397552.db2.gz	QNKYBIGRSDDRSM-QHCPKHFHSA-N	1	0	422.525	3.908	50	10		HHCARO
O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3O)C2)nc1	ZINC000065257025	569208578	/nfs/dbraw/zinc/20/85/78/569208578.db2.gz	TUGGIULIOBADBN-HXUWFJFHSA-N	1	0	406.461	3.547	50	10		HHCARO
C[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000065298031	569219291	/nfs/dbraw/zinc/21/92/91/569219291.db2.gz	MKAQNJMVSVATHS-SFHVURJKSA-N	1	0	413.905	3.720	50	10	biogenic	HHCARO
Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013007811	569406614	/nfs/dbraw/zinc/40/66/14/569406614.db2.gz	QLDBZRDPLLKMCB-QHCPKHFHSA-N	1	0	407.558	3.710	50	10		HHCARO
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008963274	571190568	/nfs/dbraw/zinc/19/05/68/571190568.db2.gz	ZWHKOTUESUUEDC-NRFANRHFSA-N	1	0	413.949	3.908	50	10		HHCARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1	ZINC000019939043	558313240	/nfs/dbraw/zinc/31/32/40/558313240.db2.gz	PUERMKCIIAEHRU-HSZRJFAPSA-N	1	0	409.574	3.804	50	10		HHCARO
c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]C1CCN(c3ccc4c(c3)OCO4)CC1)CCC2	ZINC000039500853	558822034	/nfs/dbraw/zinc/82/20/34/558822034.db2.gz	FCDRJYKZEROPRH-FQEVSTJZSA-N	1	0	417.513	3.632	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1	ZINC000055252958	558877553	/nfs/dbraw/zinc/87/75/53/558877553.db2.gz	TVLQVZDFTZUNNU-JOCHJYFZSA-N	1	0	418.541	3.603	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COC3CCC(C(C)(C)C)CC3)CC2)cc1	ZINC000023224605	559062499	/nfs/dbraw/zinc/06/24/99/559062499.db2.gz	RRGUEBZWXJAPMN-YUVVGHDESA-N	1	0	404.595	3.800	50	10		HHCARO
COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1OC	ZINC000023858552	559181248	/nfs/dbraw/zinc/18/12/48/559181248.db2.gz	SZPKLTODUJTUJH-JOCHJYFZSA-N	1	0	423.557	3.653	50	10		HHCARO
COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1OC	ZINC000023857832	559181401	/nfs/dbraw/zinc/18/14/01/559181401.db2.gz	ABEIXQFPAJZBIK-JOCHJYFZSA-N	1	0	423.557	3.653	50	10		HHCARO
O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1	ZINC000084351283	568947111	/nfs/dbraw/zinc/94/71/11/568947111.db2.gz	PYQPPBKMSXWEBW-AWEZNQCLSA-N	1	0	406.826	3.939	50	10		HHCARO
CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000008963223	571190006	/nfs/dbraw/zinc/19/00/06/571190006.db2.gz	BCOYKUWOXNNSDC-JOCHJYFZSA-N	1	0	413.949	3.664	50	10		HHCARO
CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1Cc1cccc(Cl)c1	ZINC000023362733	963807996	/nfs/dbraw/zinc/80/79/96/963807996.db2.gz	IBGCMUNDFYTLHS-SFTDATJTSA-N	1	0	415.965	3.526	50	10		HHCARO
COc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCS3)cc1OC	ZINC000002966026	557777656	/nfs/dbraw/zinc/77/76/56/557777656.db2.gz	JWNSIYQELRYPCB-FQEVSTJZSA-N	1	0	405.927	3.528	50	10		HHCARO
CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1	ZINC000019218184	558851013	/nfs/dbraw/zinc/85/10/13/558851013.db2.gz	CLTXKJKPXQZDEQ-QHCPKHFHSA-N	1	0	409.574	3.881	50	10		HHCARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005097925	559245194	/nfs/dbraw/zinc/24/51/94/559245194.db2.gz	WDJSPHAUBRJVIZ-NRFANRHFSA-N	1	0	401.938	3.738	50	10		HHCARO
COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1	ZINC000012321450	568470892	/nfs/dbraw/zinc/47/08/92/568470892.db2.gz	MOLHYWDXAINABY-OAQYLSRUSA-N	1	0	410.514	3.796	50	10		HHCARO
O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1	ZINC000008338616	568993327	/nfs/dbraw/zinc/99/33/27/568993327.db2.gz	DRFIRRUYSNVWLB-UHFFFAOYSA-N	1	0	414.502	3.581	50	10		HHCARO
COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1OC	ZINC000034682848	557384980	/nfs/dbraw/zinc/38/49/80/557384980.db2.gz	VLHPUWIMOFBSTD-UHFFFAOYSA-N	1	0	411.546	3.787	50	10		HHCARO
COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1	ZINC000019720551	558258910	/nfs/dbraw/zinc/25/89/10/558258910.db2.gz	ODJCKWJQLUVUCZ-FQEVSTJZSA-N	1	0	415.965	3.841	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC000019909305	558306141	/nfs/dbraw/zinc/30/61/41/558306141.db2.gz	XBHJRCVZFYGKFD-DEOSSOPVSA-N	1	0	418.537	3.924	50	10		HHCARO
COc1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c1O	ZINC000012057756	558316574	/nfs/dbraw/zinc/31/65/74/558316574.db2.gz	HTDIYBWWVZKGPN-UHFFFAOYSA-N	1	0	420.513	3.995	50	10		HHCARO
CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1	ZINC000012279230	558364928	/nfs/dbraw/zinc/36/49/28/558364928.db2.gz	JLUQIMWRAGWRPG-IBGZPJMESA-N	1	0	410.514	3.868	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(F)c(OC)c4)C3)CC2)cc1	ZINC000019336088	558777032	/nfs/dbraw/zinc/77/70/32/558777032.db2.gz	FOUWPMYJCAPTII-OAQYLSRUSA-N	1	0	413.537	3.630	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1	ZINC000055576286	558883070	/nfs/dbraw/zinc/88/30/70/558883070.db2.gz	BGTNZAJLMABECY-FQEVSTJZSA-N	1	0	413.587	3.503	50	10		HHCARO
O[C@@]1(c2ccc(F)cc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21	ZINC000004086719	568940524	/nfs/dbraw/zinc/94/05/24/568940524.db2.gz	PXUJDYLCFAHFEV-GOSISDBHSA-N	1	0	408.316	3.759	50	10		HHCARO
CN(C)c1ccc(/C=C2/C[N@H+](C)C[C@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000252617560	569301662	/nfs/dbraw/zinc/30/16/62/569301662.db2.gz	KVNFFOLWJOTXDB-IBIOIURMSA-N	1	0	403.574	3.806	50	10		HHCARO
Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013007807	569406702	/nfs/dbraw/zinc/40/67/02/569406702.db2.gz	QLDBZRDPLLKMCB-HSZRJFAPSA-N	1	0	407.558	3.710	50	10		HHCARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007819	569406706	/nfs/dbraw/zinc/40/67/06/569406706.db2.gz	KKYJEFNECIZZID-XMMPIXPASA-N	1	0	407.558	3.710	50	10		HHCARO
COc1cccc(CN2CCC[C@H]([NH2+]Cc3ccc(OC)c(Cn4cccn4)c3)C2)c1	ZINC000019781695	963375004	/nfs/dbraw/zinc/37/50/04/963375004.db2.gz	MHXKVSZEXQDGOH-QHCPKHFHSA-N	1	0	420.557	3.703	50	10		HHCARO
CCN(CC)c1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1	ZINC000020780959	963395189	/nfs/dbraw/zinc/39/51/89/963395189.db2.gz	BEPNSTMDFIYRIQ-UHFFFAOYSA-N	1	0	403.574	3.968	50	10		HHCARO
Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4O)CC3)CC2)c1C	ZINC000004547767	132278322	/nfs/dbraw/zinc/27/83/22/132278322.db2.gz	BHPPFHWGZPYHLM-UHFFFAOYSA-N	1	0	407.558	3.570	50	10		HHCARO
CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1	ZINC000044836186	520683614	/nfs/dbraw/zinc/68/36/14/520683614.db2.gz	LMNRYTAYYHPKOL-UHFFFAOYSA-N	1	0	420.351	3.838	50	10		HHCARO
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000044910921	526683565	/nfs/dbraw/zinc/68/35/65/526683565.db2.gz	KLMDWFQAQVIJPP-UHFFFAOYSA-N	1	0	407.558	3.829	50	10		HHCARO
CC[NH+](CC)Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1O	ZINC000003106225	557447226	/nfs/dbraw/zinc/44/72/26/557447226.db2.gz	LDXVJJPXCCUCKG-UHFFFAOYSA-N	1	0	402.407	3.611	50	10		HHCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000002965880	557777385	/nfs/dbraw/zinc/77/73/85/557777385.db2.gz	RXQDWQYKBHPFOA-HXUWFJFHSA-N	1	0	405.927	3.528	50	10		HHCARO
CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2	ZINC000011872749	558290705	/nfs/dbraw/zinc/29/07/05/558290705.db2.gz	CCIGVKCNZFPMIR-KRWDZBQOSA-N	1	0	405.951	3.763	50	10		HHCARO
COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c(OC)c1	ZINC000012459549	558418796	/nfs/dbraw/zinc/41/87/96/558418796.db2.gz	VRBITGXGVUXOAO-SFHVURJKSA-N	1	0	412.530	3.718	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1	ZINC000055252961	558877511	/nfs/dbraw/zinc/87/75/11/558877511.db2.gz	TVLQVZDFTZUNNU-QFIPXVFZSA-N	1	0	418.541	3.603	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1	ZINC000055368904	558880189	/nfs/dbraw/zinc/88/01/89/558880189.db2.gz	URHQWFWNDOWJSO-CFGKVWFZSA-N	1	0	411.571	3.583	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1	ZINC000055368902	558880200	/nfs/dbraw/zinc/88/02/00/558880200.db2.gz	URHQWFWNDOWJSO-CTDFXDFQSA-N	1	0	411.571	3.583	50	10		HHCARO
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000015970836	569046761	/nfs/dbraw/zinc/04/67/61/569046761.db2.gz	FJKKGIYVDZUNMO-ZKMPZPQNSA-N	1	0	413.606	3.823	50	10	biogenic	HHCARO
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298369	569219395	/nfs/dbraw/zinc/21/93/95/569219395.db2.gz	OBXFFIARFRKNQD-NRFANRHFSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007692	569406649	/nfs/dbraw/zinc/40/66/49/569406649.db2.gz	MQPGIRXFUHVTMO-RUZDIDTESA-N	1	0	421.585	3.964	50	10		HHCARO
COc1ccc(N2CCN(c3c4ccccc4oc(=O)c3C[NH+]3CCCC3)CC2)cc1	ZINC000007504113	132324871	/nfs/dbraw/zinc/32/48/71/132324871.db2.gz	YUPURIVCLRTLFO-UHFFFAOYSA-N	1	0	419.525	3.724	50	10		HHCARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CN1Cc1ccc(Cl)cc1	ZINC000020451182	520532424	/nfs/dbraw/zinc/53/24/24/520532424.db2.gz	CSVAREVEANTAEH-RTWAWAEBSA-N	1	0	415.965	3.647	50	10		HHCARO
COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1	ZINC000019720550	558258981	/nfs/dbraw/zinc/25/89/81/558258981.db2.gz	ODJCKWJQLUVUCZ-HXUWFJFHSA-N	1	0	415.965	3.841	50	10		HHCARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000011664184	558267899	/nfs/dbraw/zinc/26/78/99/558267899.db2.gz	OBFBIQCKTGQGSR-KRWDZBQOSA-N	1	0	406.486	3.642	50	10		HHCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1	ZINC000012474358	558422541	/nfs/dbraw/zinc/42/25/41/558422541.db2.gz	OGKQVSNXGJVUPM-QGZVFWFLSA-N	1	0	400.494	3.849	50	10		HHCARO
Cc1ccc(C2=NN[C@@]3(S2)c2ccccc2N(CC[NH+]2CCCCC2)C3=O)cc1	ZINC000001442299	558430600	/nfs/dbraw/zinc/43/06/00/558430600.db2.gz	RDDXSWFPWFHBKE-HSZRJFAPSA-N	1	0	406.555	3.679	50	10		HHCARO
CCN1CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CC[NH+](CCOC)CC1	ZINC000019229269	558853333	/nfs/dbraw/zinc/85/33/33/558853333.db2.gz	RGJOPSQCDWZHPI-QFIPXVFZSA-N	1	0	424.029	3.690	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1	ZINC000055576285	558883140	/nfs/dbraw/zinc/88/31/40/558883140.db2.gz	BGTNZAJLMABECY-HXUWFJFHSA-N	1	0	413.587	3.503	50	10		HHCARO
COc1cccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000015830192	568928936	/nfs/dbraw/zinc/92/89/36/568928936.db2.gz	XMRZUWYTCYSWFQ-FQEVSTJZSA-N	1	0	409.530	3.831	50	10		HHCARO
O[C@]1(c2ccc(Br)cc2)CN2CCCSC2=[N+]1Cc1ccccc1	ZINC000004176392	568948845	/nfs/dbraw/zinc/94/88/45/568948845.db2.gz	UDEVLSIWPAIGBA-IBGZPJMESA-N	1	0	404.353	3.615	50	10		HHCARO
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1c(O)ccc2ccccc21	ZINC000013008200	569049860	/nfs/dbraw/zinc/04/98/60/569049860.db2.gz	VKJDVHHYOYJLHW-INIZCTEOSA-N	1	0	403.482	3.741	50	10		HHCARO
CC[NH+]1CCC2(CC1)N=C(c1cccc(OC)c1)C[C@H](c1cccc(OC)c1O)N2	ZINC000065298273	569219231	/nfs/dbraw/zinc/21/92/31/569219231.db2.gz	VMLMZZBINLEMIU-OAQYLSRUSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
C[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000065298033	569219261	/nfs/dbraw/zinc/21/92/61/569219261.db2.gz	MKAQNJMVSVATHS-GOSISDBHSA-N	1	0	413.905	3.720	50	10	biogenic	HHCARO
O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@@H]56)[C@@H]43)c2o1	ZINC000526052531	569239808	/nfs/dbraw/zinc/23/98/08/569239808.db2.gz	MJNBWCXFQYNSNU-FPRSRYDQSA-N	1	0	406.526	3.894	50	10		HHCARO
COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)[N@@H+]4CCC[C@@]34C2=O)cc1	ZINC000012448703	962282850	/nfs/dbraw/zinc/28/28/50/962282850.db2.gz	FREKFVAKFMLVJD-OPHFCASCSA-N	1	0	405.542	3.699	50	10		HHCARO
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010907734	132346833	/nfs/dbraw/zinc/34/68/33/132346833.db2.gz	NPKZXYARWKNNEQ-UHFFFAOYSA-N	1	0	407.558	3.781	50	10		HHCARO
CC[NH+](CC)CCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004961918	535542672	/nfs/dbraw/zinc/54/26/72/535542672.db2.gz	YDWBOARKYXVLQG-UHFFFAOYSA-N	1	0	420.513	3.630	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cccc4ccccc43)CC2)cc1	ZINC000011853449	536696443	/nfs/dbraw/zinc/69/64/43/536696443.db2.gz	GZMFXJMMDVHWSC-UHFFFAOYSA-N	1	0	417.553	3.719	50	10		HHCARO
CCc1cc2c(ncnc2NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)s1	ZINC000024059495	558587113	/nfs/dbraw/zinc/58/71/13/558587113.db2.gz	FMMFOBOVUBCHIB-UHFFFAOYSA-N	1	0	411.575	3.887	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(F)c(OC)c4)C3)CC2)cc1	ZINC000019336093	558777043	/nfs/dbraw/zinc/77/70/43/558777043.db2.gz	FOUWPMYJCAPTII-NRFANRHFSA-N	1	0	413.537	3.630	50	10		HHCARO
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298399	569219421	/nfs/dbraw/zinc/21/94/21/569219421.db2.gz	OHTUCLLAZHWLQS-OAQYLSRUSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)[NH+](C)C)ccc21	ZINC000008798819	571120382	/nfs/dbraw/zinc/12/03/82/571120382.db2.gz	QREBSSMBZCFVPL-XMMPIXPASA-N	1	0	423.582	3.803	50	10		HHCARO
COc1ccc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cccn1	ZINC000020351399	963387301	/nfs/dbraw/zinc/38/73/01/963387301.db2.gz	IFCMCBILPBRNFT-DEOSSOPVSA-N	1	0	416.569	3.661	50	10		HHCARO
COc1ccc(N2CCN(C(=O)CC[NH2+][C@@H](c3cccs3)C(C)C)CC2)cc1	ZINC000032776754	524408947	/nfs/dbraw/zinc/40/89/47/524408947.db2.gz	QYFVXFCWVFJKCH-JOCHJYFZSA-N	1	0	401.576	3.782	50	10		HHCARO
COc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Br)cc3)C2)cc1	ZINC000002921934	557772175	/nfs/dbraw/zinc/77/21/75/557772175.db2.gz	RPHBRNMVYRRLOM-LJQANCHMSA-N	1	0	420.352	3.628	50	10		HHCARO
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1	ZINC000004330767	558262553	/nfs/dbraw/zinc/26/25/53/558262553.db2.gz	FOCLPFOHGJQIJT-QFIPXVFZSA-N	1	0	422.573	3.570	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(OC)cc4F)C3)CC2)cc1	ZINC000019745615	558266037	/nfs/dbraw/zinc/26/60/37/558266037.db2.gz	LMACYYFPBJDBFR-NRFANRHFSA-N	1	0	413.537	3.630	50	10		HHCARO
COc1ccc(C[N@@H+]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2CCO)c(C)c1C	ZINC000020915910	558422702	/nfs/dbraw/zinc/42/27/02/558422702.db2.gz	VIDLJIMXMQTBGE-NRFANRHFSA-N	1	0	418.965	3.740	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(O)c(Cl)c4)C3)CC2)cc1	ZINC000023373668	558553729	/nfs/dbraw/zinc/55/37/29/558553729.db2.gz	IZLKPTFHBUGRLJ-FQEVSTJZSA-N	1	0	415.965	3.841	50	10		HHCARO
COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1OC	ZINC000023857834	559181347	/nfs/dbraw/zinc/18/13/47/559181347.db2.gz	ABEIXQFPAJZBIK-QFIPXVFZSA-N	1	0	423.557	3.653	50	10		HHCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005098982	559244627	/nfs/dbraw/zinc/24/46/27/559244627.db2.gz	YNTNKDDCLNXLLH-FQEVSTJZSA-N	1	0	407.967	3.521	50	10		HHCARO
C[NH+](C)CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000005447050	560626430	/nfs/dbraw/zinc/62/64/30/560626430.db2.gz	GVLPAVCBDSGXBJ-BMRADRMJSA-N	1	0	406.573	3.553	50	10		HHCARO
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000015970840	569046787	/nfs/dbraw/zinc/04/67/87/569046787.db2.gz	FJKKGIYVDZUNMO-PZUNEJSGSA-N	1	0	413.606	3.823	50	10	biogenic	HHCARO
CC[NH+](CC)CCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	ZINC000002376532	569389468	/nfs/dbraw/zinc/38/94/68/569389468.db2.gz	WQEXBERDUFICNX-LGMDPLHJSA-N	1	0	424.588	3.646	50	10		HHCARO
CN1CCc2cc([C@H](CNC(=O)COc3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000013007824	569406699	/nfs/dbraw/zinc/40/66/99/569406699.db2.gz	IVMIIFFKSUQFKK-QFIPXVFZSA-N	1	0	411.521	3.540	50	10		HHCARO
COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963243	571190465	/nfs/dbraw/zinc/19/04/65/571190465.db2.gz	ACFJRNGHEIOIAQ-XMMPIXPASA-N	1	0	407.558	3.573	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1	ZINC000020536305	524431371	/nfs/dbraw/zinc/43/13/71/524431371.db2.gz	CREACZBXUYCVSN-HXUWFJFHSA-N	1	0	401.501	3.760	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1	ZINC000020109650	558334669	/nfs/dbraw/zinc/33/46/69/558334669.db2.gz	TWTHONKUBNGVOX-OAQYLSRUSA-N	1	0	412.574	3.863	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)cc1	ZINC000020109686	558334687	/nfs/dbraw/zinc/33/46/87/558334687.db2.gz	YXWLUFJYUXOUAJ-NAMDQGSHSA-N	1	0	404.595	3.656	50	10		HHCARO
COc1ccc(N2CCN([C@H](CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1	ZINC000056896132	568820943	/nfs/dbraw/zinc/82/09/43/568820943.db2.gz	OHRLLFQLPPBPMG-XMMPIXPASA-N	1	0	422.573	3.650	50	10		HHCARO
O[C@]1(c2ccc(F)cc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21	ZINC000004086721	568940521	/nfs/dbraw/zinc/94/05/21/568940521.db2.gz	PXUJDYLCFAHFEV-SFHVURJKSA-N	1	0	408.316	3.759	50	10		HHCARO
COc1cc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc(OC)c1OC	ZINC000003053351	569056601	/nfs/dbraw/zinc/05/66/01/569056601.db2.gz	AOFTVDRTEGBGAK-NRFANRHFSA-N	1	0	401.459	3.722	50	10		HHCARO
CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000013007822	569406672	/nfs/dbraw/zinc/40/66/72/569406672.db2.gz	IVMIIFFKSUQFKK-JOCHJYFZSA-N	1	0	411.521	3.540	50	10		HHCARO
CCOC(=O)c1c[n+](CC)c(/C=C/C=C2/SC(C(=O)OCC)=CN2CC)s1	ZINC000003181231	960476840	/nfs/dbraw/zinc/47/68/40/960476840.db2.gz	TYAQSLYKQPUUFO-UHFFFAOYSA-N	1	0	409.553	3.560	50	10		HHCARO
CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1	ZINC000012213228	558354074	/nfs/dbraw/zinc/35/40/74/558354074.db2.gz	UDHJUDXUWUOIDQ-YXMLYAQVSA-N	1	0	423.557	3.802	50	10		HHCARO
Cc1ccc(C2=NN[C@]3(S2)c2ccccc2N(CC[NH+]2CCCCC2)C3=O)cc1	ZINC000001442300	558430727	/nfs/dbraw/zinc/43/07/27/558430727.db2.gz	RDDXSWFPWFHBKE-QHCPKHFHSA-N	1	0	406.555	3.679	50	10		HHCARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1	ZINC000023375069	558554625	/nfs/dbraw/zinc/55/46/25/558554625.db2.gz	XQYGSPWTMYUSTE-NRFANRHFSA-N	1	0	403.929	3.971	50	10		HHCARO
C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	ZINC000072441638	558981681	/nfs/dbraw/zinc/98/16/81/558981681.db2.gz	DQRHXXMYNZRKAK-FQEVSTJZSA-N	1	0	407.558	3.613	50	10		HHCARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022589351	568771193	/nfs/dbraw/zinc/77/11/93/568771193.db2.gz	OQSNVTNKJIGDTJ-VWLOTQADSA-N	1	0	416.569	3.624	50	10		HHCARO
COc1cccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000015830194	568928820	/nfs/dbraw/zinc/92/88/20/568928820.db2.gz	XMRZUWYTCYSWFQ-HXUWFJFHSA-N	1	0	409.530	3.831	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)cc1	ZINC000239434055	569054404	/nfs/dbraw/zinc/05/44/04/569054404.db2.gz	YXWLUFJYUXOUAJ-NZRJUOQRSA-N	1	0	404.595	3.656	50	10		HHCARO
COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007694	569406610	/nfs/dbraw/zinc/40/66/10/569406610.db2.gz	MQPGIRXFUHVTMO-VWLOTQADSA-N	1	0	421.585	3.964	50	10		HHCARO
CC[NH+]1CCN(Cc2c3c(ccc2O)oc(C)c3C(=O)Nc2ccc(OC)cc2)CC1	ZINC000019794025	569430050	/nfs/dbraw/zinc/43/00/50/569430050.db2.gz	YUPQAKKOGDYHHQ-UHFFFAOYSA-N	1	0	423.513	3.845	50	10		HHCARO
CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000008963224	571190056	/nfs/dbraw/zinc/19/00/56/571190056.db2.gz	BCOYKUWOXNNSDC-QFIPXVFZSA-N	1	0	413.949	3.664	50	10		HHCARO
COc1cccc(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c1O	ZINC000169765255	970474036	/nfs/dbraw/zinc/47/40/36/970474036.db2.gz	YGSMMEDHYKZKIL-KRWDZBQOSA-N	1	0	410.514	3.584	50	10		HHCARO
CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000009135470	132228517	/nfs/dbraw/zinc/22/85/17/132228517.db2.gz	OQGAHKDITOGQKQ-HSZRJFAPSA-N	1	0	422.573	3.550	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1	ZINC000020118051	558336663	/nfs/dbraw/zinc/33/66/63/558336663.db2.gz	FXRTXSDYSHZCAI-GOSISDBHSA-N	1	0	419.491	3.899	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)CC2)cc1	ZINC000022851614	558516872	/nfs/dbraw/zinc/51/68/72/558516872.db2.gz	WPNHLSIMHNXMHF-HXUWFJFHSA-N	1	0	401.501	3.760	50	10		HHCARO
COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O	ZINC000016878796	558808762	/nfs/dbraw/zinc/80/87/62/558808762.db2.gz	LCVUETIYGBXKJD-UHFFFAOYSA-N	1	0	420.509	3.801	50	10		HHCARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1	ZINC000019218176	558851024	/nfs/dbraw/zinc/85/10/24/558851024.db2.gz	CLTXKJKPXQZDEQ-HSZRJFAPSA-N	1	0	409.574	3.881	50	10		HHCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005098981	559244645	/nfs/dbraw/zinc/24/46/45/559244645.db2.gz	YNTNKDDCLNXLLH-HXUWFJFHSA-N	1	0	407.967	3.521	50	10		HHCARO
COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1	ZINC000012321449	568470959	/nfs/dbraw/zinc/47/09/59/568470959.db2.gz	MOLHYWDXAINABY-NRFANRHFSA-N	1	0	410.514	3.796	50	10		HHCARO
COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1	ZINC000020114412	568589420	/nfs/dbraw/zinc/58/94/20/568589420.db2.gz	JUQCGDYDGXMIAV-IZZDOVSWSA-N	1	0	416.525	3.956	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ccccc3Cl)CC2)cc1	ZINC000028064971	568779075	/nfs/dbraw/zinc/77/90/75/568779075.db2.gz	ZHFDZZOVNNNHKD-UHFFFAOYSA-N	1	0	415.965	3.610	50	10		HHCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](c3cccs3)c3ccccc3)CC2)cc1	ZINC000057435071	568836661	/nfs/dbraw/zinc/83/66/61/568836661.db2.gz	HZJCRNNVIDYIIT-XMMPIXPASA-N	1	0	421.566	3.785	50	10		HHCARO
COc1cc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCCC2)cc(OC)c1OC	ZINC000001586960	569052166	/nfs/dbraw/zinc/05/21/66/569052166.db2.gz	AOFTVDRTEGBGAK-OAQYLSRUSA-N	1	0	401.459	3.722	50	10		HHCARO
Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1	ZINC000013007814	569406641	/nfs/dbraw/zinc/40/66/41/569406641.db2.gz	AJAFXHWMRWJPAE-XMMPIXPASA-N	1	0	407.558	3.710	50	10		HHCARO
Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007820	569406683	/nfs/dbraw/zinc/40/66/83/569406683.db2.gz	KKYJEFNECIZZID-DEOSSOPVSA-N	1	0	407.558	3.710	50	10		HHCARO
CN1CCc2cc([C@H](CNC(=O)COc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007831	569406692	/nfs/dbraw/zinc/40/66/92/569406692.db2.gz	QUSJOGXMHAAQPG-QHCPKHFHSA-N	1	0	411.521	3.540	50	10		HHCARO
COc1ccc(N2CCN(C(=O)CC[NH+]3CCC(c4ccccc4)CC3)CC2)cc1	ZINC000040062900	571147795	/nfs/dbraw/zinc/14/77/95/571147795.db2.gz	CBFUWWBPSWQORS-UHFFFAOYSA-N	1	0	407.558	3.614	50	10		HHCARO
COc1ccc(N2CCN(C(=O)CC[N@H+](C)Cc3cccc(Cl)c3)CC2)cc1	ZINC000032776725	524408622	/nfs/dbraw/zinc/40/86/22/524408622.db2.gz	VWNYICROSQOQQM-UHFFFAOYSA-N	1	0	401.938	3.519	50	10		HHCARO
C[NH+](C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000004070682	557509653	/nfs/dbraw/zinc/50/96/53/557509653.db2.gz	GVLPAVCBDSGXBJ-ICFOKQHNSA-N	1	0	406.573	3.553	50	10		HHCARO
CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012718796	558456125	/nfs/dbraw/zinc/45/61/25/558456125.db2.gz	STGLACMQDUDXOT-UHFFFAOYSA-N	1	0	401.478	3.928	50	10		HHCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c2c1	ZINC000022794531	558512238	/nfs/dbraw/zinc/51/22/38/558512238.db2.gz	XJPIULJIHGZPAP-UHFFFAOYSA-N	1	0	419.525	3.619	50	10		HHCARO
COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(O)c1	ZINC000015069507	558711757	/nfs/dbraw/zinc/71/17/57/558711757.db2.gz	MEYXHWNJDZTDEE-UHFFFAOYSA-N	1	0	406.486	3.687	50	10		HHCARO
C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1	ZINC000065619661	558979785	/nfs/dbraw/zinc/97/97/85/558979785.db2.gz	DQRHXXMYNZRKAK-HXUWFJFHSA-N	1	0	407.558	3.613	50	10		HHCARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005097923	559245176	/nfs/dbraw/zinc/24/51/76/559245176.db2.gz	WDJSPHAUBRJVIZ-OAQYLSRUSA-N	1	0	401.938	3.738	50	10		HHCARO
O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1	ZINC000084351276	568947052	/nfs/dbraw/zinc/94/70/52/568947052.db2.gz	PYQPPBKMSXWEBW-CQSZACIVSA-N	1	0	406.826	3.939	50	10		HHCARO
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000004000359	569042774	/nfs/dbraw/zinc/04/27/74/569042774.db2.gz	FJKKGIYVDZUNMO-HVCNVCAESA-N	1	0	413.606	3.823	50	10	biogenic	HHCARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000006517568	569062571	/nfs/dbraw/zinc/06/25/71/569062571.db2.gz	FJKKGIYVDZUNMO-GPXOXTDOSA-N	1	0	413.606	3.823	50	10		HHCARO
Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c1	ZINC000065257019	569208573	/nfs/dbraw/zinc/20/85/73/569208573.db2.gz	NOOIFNGYDOBFHH-OAQYLSRUSA-N	1	0	420.488	3.856	50	10		HHCARO
CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000027534289	571049531	/nfs/dbraw/zinc/04/95/31/571049531.db2.gz	JLQVACKTEKKRME-XLNRJJMWSA-N	1	0	420.513	3.904	50	10		HHCARO
COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1	ZINC000009369190	571252575	/nfs/dbraw/zinc/25/25/75/571252575.db2.gz	XXWNDHLYPSKIQB-LJQANCHMSA-N	1	0	420.352	3.628	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccc4ccccc4c3)CC2)cc1	ZINC000032764121	524422628	/nfs/dbraw/zinc/42/26/28/524422628.db2.gz	WQFXTBVVARORAJ-UHFFFAOYSA-N	1	0	417.553	3.719	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNc3ncnc4cc(Cl)ccc43)CC2)cc1	ZINC000032808481	524424670	/nfs/dbraw/zinc/42/46/70/524424670.db2.gz	UHFJQGBASCUHPE-UHFFFAOYSA-N	1	0	411.937	3.916	50	10		HHCARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21	ZINC000009137912	536397632	/nfs/dbraw/zinc/39/76/32/536397632.db2.gz	GWFGAOPICZRUJZ-JOCHJYFZSA-N	1	0	421.541	3.755	50	10		HHCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1	ZINC000012474352	558422619	/nfs/dbraw/zinc/42/26/19/558422619.db2.gz	OGKQVSNXGJVUPM-KRWDZBQOSA-N	1	0	400.494	3.849	50	10		HHCARO
Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12)CCC3	ZINC000524729992	569051658	/nfs/dbraw/zinc/05/16/58/569051658.db2.gz	QKDKWEFQOMEWTO-LAUBAEHRSA-N	1	0	410.558	3.992	50	10		HHCARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCC2)cc1	ZINC000006517567	569062533	/nfs/dbraw/zinc/06/25/33/569062533.db2.gz	FJKKGIYVDZUNMO-CAOCKLPOSA-N	1	0	413.606	3.823	50	10		HHCARO
COc1ccc(O)c(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1	ZINC000023375547	963810685	/nfs/dbraw/zinc/81/06/85/963810685.db2.gz	UEYTVSUHDQVAOW-FQEVSTJZSA-N	1	0	414.546	3.557	50	10		HHCARO
CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137367	132336343	/nfs/dbraw/zinc/33/63/43/132336343.db2.gz	ABKZANFARJRCMK-XMMPIXPASA-N	1	0	407.558	3.791	50	10		HHCARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O	ZINC000020535709	521338317	/nfs/dbraw/zinc/33/83/17/521338317.db2.gz	NOZAOSYNIJUSTA-JOCHJYFZSA-N	1	0	413.537	3.717	50	10		HHCARO
CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1	ZINC000002965982	557777641	/nfs/dbraw/zinc/77/76/41/557777641.db2.gz	DJNKCQHILUVDDI-OAQYLSRUSA-N	1	0	421.489	3.857	50	10		HHCARO
CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012386721	558395607	/nfs/dbraw/zinc/39/56/07/558395607.db2.gz	ZRTSDOXTEQTCCP-UHFFFAOYSA-N	1	0	413.514	3.797	50	10		HHCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1	ZINC000023382086	558555458	/nfs/dbraw/zinc/55/54/58/558555458.db2.gz	XDEPWSAXLWSTJJ-UHFFFAOYSA-N	1	0	406.482	3.601	50	10		HHCARO
COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1OC	ZINC000077387093	559003363	/nfs/dbraw/zinc/00/33/63/559003363.db2.gz	WSPKAVWMKGNYJO-OAHLLOKOSA-N	1	0	418.921	3.705	50	10		HHCARO
CSc1ccc2c(c1)[C@H](N1CC[NH+](CCCO)CC1)Cc1ccc(O)cc1S2	ZINC000022590948	559014961	/nfs/dbraw/zinc/01/49/61/559014961.db2.gz	HLZPAJSIDRQQSZ-HXUWFJFHSA-N	1	0	416.612	3.863	50	10		HHCARO
COc1ccc(O)c(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c1	ZINC000299787459	568875647	/nfs/dbraw/zinc/87/56/47/568875647.db2.gz	XDAGDQBBEAUVQD-UXHICEINSA-N	1	0	418.534	3.800	50	10		HHCARO
CCOc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838214	569264066	/nfs/dbraw/zinc/26/40/66/569264066.db2.gz	UFFCIHAXOIITPT-RUZDIDTESA-N	1	0	421.585	3.964	50	10		HHCARO
COc1ccc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cccn1	ZINC000020351395	963387541	/nfs/dbraw/zinc/38/75/41/963387541.db2.gz	IFCMCBILPBRNFT-XMMPIXPASA-N	1	0	416.569	3.661	50	10		HHCARO
CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1Cc1ccc(Cl)cc1	ZINC000020598914	521745026	/nfs/dbraw/zinc/74/50/26/521745026.db2.gz	YCNYTKDRLCVGQY-SFTDATJTSA-N	1	0	415.965	3.526	50	10		HHCARO
CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O	ZINC000004590973	557570286	/nfs/dbraw/zinc/57/02/86/557570286.db2.gz	LIPSRSGWGDYNLJ-UHFFFAOYSA-N	1	0	402.922	3.973	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC000019909303	558306055	/nfs/dbraw/zinc/30/60/55/558306055.db2.gz	XBHJRCVZFYGKFD-XMMPIXPASA-N	1	0	418.537	3.924	50	10		HHCARO
CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000015074617	558715313	/nfs/dbraw/zinc/71/53/13/558715313.db2.gz	SOEVXPWCPABAPR-UHFFFAOYSA-N	1	0	401.478	3.928	50	10		HHCARO
CCC[NH+]1CCN(CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)CC1	ZINC000020532488	568628092	/nfs/dbraw/zinc/62/80/92/568628092.db2.gz	WHTVYCALIANUOJ-UHFFFAOYSA-N	1	0	422.617	3.812	50	10		HHCARO
COc1ccc(N2CCN([C@@H](CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1	ZINC000056896131	568820850	/nfs/dbraw/zinc/82/08/50/568820850.db2.gz	OHRLLFQLPPBPMG-DEOSSOPVSA-N	1	0	422.573	3.650	50	10		HHCARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)[NH+](C)C)ccc21	ZINC000013008184	569406826	/nfs/dbraw/zinc/40/68/26/569406826.db2.gz	MXXWFVKZUQDXLA-HXUWFJFHSA-N	1	0	416.363	3.864	50	10		HHCARO
CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4ccccc4c3)[NH+](C)C)ccc21	ZINC000008798820	571120529	/nfs/dbraw/zinc/12/05/29/571120529.db2.gz	QREBSSMBZCFVPL-DEOSSOPVSA-N	1	0	423.582	3.803	50	10		HHCARO
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008963273	571190580	/nfs/dbraw/zinc/19/05/80/571190580.db2.gz	ZWHKOTUESUUEDC-OAQYLSRUSA-N	1	0	413.949	3.908	50	10		HHCARO
COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1	ZINC000014977313	962617719	/nfs/dbraw/zinc/61/77/19/962617719.db2.gz	PBOAHENZCSLJNE-KRWDZBQOSA-N	1	0	402.502	3.680	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3csc4c3CCCC4)CC2)cc1	ZINC000006803888	536697199	/nfs/dbraw/zinc/69/71/99/536697199.db2.gz	XLOZDHKYNFHRAM-UHFFFAOYSA-N	1	0	413.587	3.578	50	10		HHCARO
CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1	ZINC000012213231	558354078	/nfs/dbraw/zinc/35/40/78/558354078.db2.gz	UDHJUDXUWUOIDQ-WTCGPSRQSA-N	1	0	423.557	3.802	50	10		HHCARO
Oc1ccc(-c2ncccn2)cc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000020779742	558412443	/nfs/dbraw/zinc/41/24/43/558412443.db2.gz	DUOROWWKHFUCFJ-UHFFFAOYSA-N	1	0	404.558	3.792	50	10		HHCARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc(C(C)=O)c4)C3)CC2)cc1	ZINC000020906795	558420969	/nfs/dbraw/zinc/42/09/69/558420969.db2.gz	TUYCMZGYPAETAZ-XMMPIXPASA-N	1	0	407.558	3.684	50	10		HHCARO
c1nn(-c2ccccn2)c2c1[C@H]([NH2+]C1CCN(c3ccc4c(c3)OCO4)CC1)CCC2	ZINC000039500852	558822003	/nfs/dbraw/zinc/82/20/03/558822003.db2.gz	FCDRJYKZEROPRH-HXUWFJFHSA-N	1	0	417.513	3.632	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1	ZINC000055568662	558882718	/nfs/dbraw/zinc/88/27/18/558882718.db2.gz	KRJFBFCJZLWECQ-IBGZPJMESA-N	1	0	413.949	3.775	50	10		HHCARO
COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1OC	ZINC000077387088	559003348	/nfs/dbraw/zinc/00/33/48/559003348.db2.gz	WSPKAVWMKGNYJO-HNNXBMFYSA-N	1	0	418.921	3.705	50	10		HHCARO
COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1OC	ZINC000022418430	568767884	/nfs/dbraw/zinc/76/78/84/568767884.db2.gz	HYQOSCGUNOJNFV-HXUWFJFHSA-N	1	0	412.534	3.728	50	10		HHCARO
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1c(O)ccc2ccccc21	ZINC000013008198	569049827	/nfs/dbraw/zinc/04/98/27/569049827.db2.gz	VKJDVHHYOYJLHW-MRXNPFEDSA-N	1	0	403.482	3.741	50	10		HHCARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O	ZINC000013008077	569049852	/nfs/dbraw/zinc/04/98/52/569049852.db2.gz	HZMLLSJQCWUPGQ-UHFFFAOYSA-N	1	0	418.493	3.726	50	10		HHCARO
Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4cccc(F)c4)cn3)C2)c1	ZINC000065257030	569208575	/nfs/dbraw/zinc/20/85/75/569208575.db2.gz	OIKPOSIIOQJLRL-NRFANRHFSA-N	1	0	420.488	3.856	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	ZINC000020347317	524426631	/nfs/dbraw/zinc/42/66/31/524426631.db2.gz	QOILUQJKOKOYES-IBGZPJMESA-N	1	0	404.938	3.527	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(Cl)cc3)CC2)cc1	ZINC000004624715	536697234	/nfs/dbraw/zinc/69/72/34/536697234.db2.gz	JWMOGTMPHZXKTP-UHFFFAOYSA-N	1	0	418.994	3.847	50	10		HHCARO
CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1	ZINC000002965980	557777626	/nfs/dbraw/zinc/77/76/26/557777626.db2.gz	DJNKCQHILUVDDI-NRFANRHFSA-N	1	0	421.489	3.857	50	10		HHCARO
CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2	ZINC000011872751	558290646	/nfs/dbraw/zinc/29/06/46/558290646.db2.gz	CCIGVKCNZFPMIR-QGZVFWFLSA-N	1	0	405.951	3.763	50	10		HHCARO
CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1	ZINC000012279229	558364946	/nfs/dbraw/zinc/36/49/46/558364946.db2.gz	JLUQIMWRAGWRPG-LJQANCHMSA-N	1	0	410.514	3.868	50	10		HHCARO
CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	ZINC000008724197	560637897	/nfs/dbraw/zinc/63/78/97/560637897.db2.gz	GRXGVVYPTGNVAM-UHFFFAOYSA-N	1	0	410.562	3.569	50	10		HHCARO
Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(C)n1C1CC[NH+](C)CC1	ZINC000065257272	569208694	/nfs/dbraw/zinc/20/86/94/569208694.db2.gz	DJDPHUMCTKPQBZ-UHFFFAOYSA-N	1	0	423.605	3.933	50	10		HHCARO
CN(C)c1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000252617558	569301704	/nfs/dbraw/zinc/30/17/04/569301704.db2.gz	KVNFFOLWJOTXDB-BLRDJFHDSA-N	1	0	403.574	3.806	50	10		HHCARO
CC[NH+]1CCN(Cc2c3c(ccc2O)oc(C)c3C(=O)NCc2ccccc2)CC1	ZINC000019794031	569430121	/nfs/dbraw/zinc/43/01/21/569430121.db2.gz	IOYKQKUGARGIAL-UHFFFAOYSA-N	1	0	407.514	3.514	50	10		HHCARO
COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCS3)cc1	ZINC000009369191	571252567	/nfs/dbraw/zinc/25/25/67/571252567.db2.gz	XXWNDHLYPSKIQB-IBGZPJMESA-N	1	0	420.352	3.628	50	10		HHCARO
COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000012553653	132363263	/nfs/dbraw/zinc/36/32/63/132363263.db2.gz	OKYYWPSKHJQUFR-MRXNPFEDSA-N	1	0	421.463	3.713	50	10		HHCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4ccccc4c3)CC2)cc1	ZINC000009919418	536697224	/nfs/dbraw/zinc/69/72/24/536697224.db2.gz	OAFAYZBWDLCKGC-UHFFFAOYSA-N	1	0	403.526	3.791	50	10		HHCARO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)nc1)c1ccccc1F	ZINC000034681532	557383025	/nfs/dbraw/zinc/38/30/25/557383025.db2.gz	WKGWIDVQVCDUKD-UHFFFAOYSA-N	1	0	406.461	3.501	50	10		HHCARO
Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1	ZINC000004330774	558262599	/nfs/dbraw/zinc/26/25/99/558262599.db2.gz	FOCLPFOHGJQIJT-JOCHJYFZSA-N	1	0	422.573	3.570	50	10		HHCARO
CC[NH+](CC)[C@@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1	ZINC000024975918	558623624	/nfs/dbraw/zinc/62/36/24/558623624.db2.gz	LDRBQCPCZKSVOJ-IBGZPJMESA-N	1	0	412.559	3.972	50	10		HHCARO
Oc1ccc(Br)cc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1	ZINC000019358967	558876050	/nfs/dbraw/zinc/87/60/50/558876050.db2.gz	WYIWAOUWVGWMTF-UHFFFAOYSA-N	1	0	400.320	3.954	50	10		HHCARO
COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1OC	ZINC000023858554	559181282	/nfs/dbraw/zinc/18/12/82/559181282.db2.gz	SZPKLTODUJTUJH-QFIPXVFZSA-N	1	0	423.557	3.653	50	10		HHCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1	ZINC000020347315	568599429	/nfs/dbraw/zinc/59/94/29/568599429.db2.gz	QOILUQJKOKOYES-LJQANCHMSA-N	1	0	404.938	3.527	50	10		HHCARO
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000096006417	568682685	/nfs/dbraw/zinc/68/26/85/568682685.db2.gz	HWOSFDZRMGBETF-DEOSSOPVSA-N	1	0	403.526	3.591	50	10		HHCARO
O=c1ccc2ccc([O-])c(C[N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)c2o1	ZINC000526052540	569239754	/nfs/dbraw/zinc/23/97/54/569239754.db2.gz	MJNBWCXFQYNSNU-YWQGAKJTSA-N	1	0	406.526	3.894	50	10		HHCARO
COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CC[NH+](C)CC4)cc3)on2)cc1	ZINC000012401869	132359404	/nfs/dbraw/zinc/35/94/04/132359404.db2.gz	JIDSIXVZLZNGJO-QGZVFWFLSA-N	1	0	420.513	3.593	50	10		HHCARO
CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O	ZINC000020535711	521338674	/nfs/dbraw/zinc/33/86/74/521338674.db2.gz	NOZAOSYNIJUSTA-QFIPXVFZSA-N	1	0	413.537	3.717	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(OC)ccc4F)C3)CC2)cc1	ZINC000020784512	558413548	/nfs/dbraw/zinc/41/35/48/558413548.db2.gz	YBDINVRDPHKWIC-OAQYLSRUSA-N	1	0	413.537	3.630	50	10		HHCARO
COc1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000604403918	568492278	/nfs/dbraw/zinc/49/22/78/568492278.db2.gz	DLEOVMXSNPANMD-UHFFFAOYSA-N	1	0	415.449	3.517	50	10		HHCARO
CC[NH+]1CCC2(CC1)N=C(c1cccc(OC)c1)C[C@@H](c1cccc(OC)c1O)N2	ZINC000065298272	569219215	/nfs/dbraw/zinc/21/92/15/569219215.db2.gz	VMLMZZBINLEMIU-NRFANRHFSA-N	1	0	409.530	3.745	50	10	biogenic	HHCARO
CN(C)c1ccc(/C=C2\C[N@H+](C)C[C@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000252617559	569301675	/nfs/dbraw/zinc/30/16/75/569301675.db2.gz	KVNFFOLWJOTXDB-DXQATHTMSA-N	1	0	403.574	3.806	50	10		HHCARO
COc1cccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCC3)C2)c1O	ZINC000169765162	970473121	/nfs/dbraw/zinc/47/31/21/970473121.db2.gz	JQEYTRKMVZULDV-LJQANCHMSA-N	1	0	424.541	3.928	50	10		HHCARO
Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1-c1ccc(Cl)cc1	ZINC000004362577	132275875	/nfs/dbraw/zinc/27/58/75/132275875.db2.gz	AIFGROIUPQSDRB-UHFFFAOYSA-N	1	0	423.948	3.516	50	10		HHCARO
CCC[NH+]1CCN(c2cc(NCCOC)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006738016	534931958	/nfs/dbraw/zinc/93/19/58/534931958.db2.gz	GXEWFQXBERSLBF-UHFFFAOYSA-N	1	0	420.513	3.630	50	10		HHCARO
CN(C)c1ccc([C@@H](CNC(=O)C2=C(c3ccccc3)SCCO2)[NH+](C)C)cc1	ZINC000020745532	558410341	/nfs/dbraw/zinc/41/03/41/558410341.db2.gz	CWFHKWRKWRLDFQ-HXUWFJFHSA-N	1	0	411.571	3.604	50	10		HHCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)CC2)cc1	ZINC000022851616	558516837	/nfs/dbraw/zinc/51/68/37/558516837.db2.gz	WPNHLSIMHNXMHF-FQEVSTJZSA-N	1	0	401.501	3.760	50	10		HHCARO
CC[NH+](CC)[C@H](CNC(=O)CSc1ncc(-c2ccccc2)n1C)c1ccco1	ZINC000024975924	558623595	/nfs/dbraw/zinc/62/35/95/558623595.db2.gz	LDRBQCPCZKSVOJ-LJQANCHMSA-N	1	0	412.559	3.972	50	10		HHCARO
COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cn1cccn1	ZINC000019226775	558852859	/nfs/dbraw/zinc/85/28/59/558852859.db2.gz	OMZJMZFUIPWPHW-NRFANRHFSA-N	1	0	414.513	3.688	50	10		HHCARO
O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H]([NH2+]Cc3ccccc3O)C2)nc1	ZINC000065257026	569208534	/nfs/dbraw/zinc/20/85/34/569208534.db2.gz	TUGGIULIOBADBN-FQEVSTJZSA-N	1	0	406.461	3.547	50	10		HHCARO
CC(C)[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1ccccc1O)N2	ZINC000065297919	569219071	/nfs/dbraw/zinc/21/90/71/569219071.db2.gz	DKNBTSNKQUQKMF-FQEVSTJZSA-N	1	0	407.514	3.845	50	10	biogenic	HHCARO
COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838206	569264033	/nfs/dbraw/zinc/26/40/33/569264033.db2.gz	AOJLPWFGORECCA-RUZDIDTESA-N	1	0	421.585	3.964	50	10		HHCARO