smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2O)CC3)cc1Cl	ZINC000011996191	845846680	/nfs/dbraw/zinc/84/66/80/845846680.db2.gz	JEBCMFZAUVDALV-KRWDZBQOSA-N	1	0	400.906	4.295	50	10		HICARO
C[C@@H]1C[C@@H](C)CN(c2cc(NCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737851	132314057	/nfs/dbraw/zinc/31/40/57/132314057.db2.gz	OIBFESLJIFHFLF-HZPDHXFCSA-N	1	0	418.541	4.495	50	10		HICARO
CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137813	132336355	/nfs/dbraw/zinc/33/63/55/132336355.db2.gz	OWGHFTJPKXOTRV-RUZDIDTESA-N	1	0	421.585	4.425	50	10		HICARO
Cc1c([C@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1cccc(F)c1	ZINC000011821208	132351180	/nfs/dbraw/zinc/35/11/80/132351180.db2.gz	UOLDXCKRPKJRAE-INIZCTEOSA-N	1	0	422.504	4.368	50	10		HICARO
COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137259	536748851	/nfs/dbraw/zinc/74/88/51/536748851.db2.gz	XELIYAFROYUKQG-XMMPIXPASA-N	1	0	407.558	4.035	50	10		HICARO
OCCN1CC[NH+](CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000000601293	557019158	/nfs/dbraw/zinc/01/91/58/557019158.db2.gz	WFPIAZLQTJBIFN-DVZOWYKESA-N	1	0	400.975	4.236	50	10	world	HICARO
Oc1cc2c(cc1CN1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)OCO2	ZINC000022038480	558459541	/nfs/dbraw/zinc/45/95/41/558459541.db2.gz	IAARJVYIQRFKLF-UHFFFAOYSA-N	1	0	402.494	4.028	50	10		HICARO
Cc1ccc(C)c([N+]2=C3SCCCN3[C@@](O)(c3ccc(Br)cc3)C2)c1	ZINC000013809739	558595258	/nfs/dbraw/zinc/59/52/58/558595258.db2.gz	QTYGFPCZEAKECN-FQEVSTJZSA-N	1	0	418.380	4.237	50	10		HICARO
CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000100423220	559135021	/nfs/dbraw/zinc/13/50/21/559135021.db2.gz	MIOCLDIIBCTYFP-PGMHBOJBSA-N	1	0	412.578	4.371	50	10		HICARO
O=c1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c2cc(O)c(O)cc2o1	ZINC000095466763	568624416	/nfs/dbraw/zinc/62/44/16/568624416.db2.gz	JARCLXHEVKXKEJ-FQEVSTJZSA-N	1	0	423.490	4.002	50	10		HICARO
O=C(N=N/C=C1\SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1)c1cccnc1	ZINC000334141666	568862434	/nfs/dbraw/zinc/86/24/34/568862434.db2.gz	FDEPDWOWFUTLDY-VMPJDAQHSA-N	1	0	402.439	4.051	50	10		HICARO
C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000106231563	569009243	/nfs/dbraw/zinc/00/92/43/569009243.db2.gz	ZXWLWGLDLORQAZ-SFTDATJTSA-N	1	0	421.585	4.246	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	ZINC000065298003	569219237	/nfs/dbraw/zinc/21/92/37/569219237.db2.gz	MOYMXBJHIAOKKU-NRFANRHFSA-N	1	0	413.949	4.390	50	10		HICARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)[NH+]3CCCC3)ccc21	ZINC000008963256	571190336	/nfs/dbraw/zinc/19/03/36/571190336.db2.gz	VVILOVQMMAWQFY-NRFANRHFSA-N	1	0	417.475	4.265	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21	ZINC000010214525	571296877	/nfs/dbraw/zinc/29/68/77/571296877.db2.gz	GRWQTHVZNUONRV-OAQYLSRUSA-N	1	0	421.541	4.455	50	10		HICARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)c1O	ZINC000012431553	845870545	/nfs/dbraw/zinc/87/05/45/845870545.db2.gz	YSRIMMJKDIPPNO-LJQANCHMSA-N	1	0	420.513	4.032	50	10		HICARO
COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]Cc2cccc(OC)c2O)cc1	ZINC000012713395	845884916	/nfs/dbraw/zinc/88/49/16/845884916.db2.gz	GTABYCWLASNSOK-FQEVSTJZSA-N	1	0	407.514	4.398	50	10		HICARO
COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(OC)cc2O)C3)cc1	ZINC000055182616	849984161	/nfs/dbraw/zinc/98/41/61/849984161.db2.gz	ATQNAFOIDVQMMB-UHFFFAOYSA-N	1	0	421.493	4.480	50	10		HICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21	ZINC000009137857	536397583	/nfs/dbraw/zinc/39/75/83/536397583.db2.gz	UWICHHJQGITPRJ-HSZRJFAPSA-N	1	0	413.512	4.304	50	10		HICARO
CN1CC[NH+](Cc2ccc3c(ccc4c(-c5ccccc5)cc(=O)oc43)c2O)CC1	ZINC000019800784	558285572	/nfs/dbraw/zinc/28/55/72/558285572.db2.gz	PHOSCVZBXOBPAF-UHFFFAOYSA-N	1	0	400.478	4.066	50	10		HICARO
COCc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC	ZINC000012200968	558351191	/nfs/dbraw/zinc/35/11/91/558351191.db2.gz	FDHJZFNMLYGOOZ-CQSZACIVSA-N	1	0	401.457	4.465	50	10		HICARO
O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012594115	558436861	/nfs/dbraw/zinc/43/68/61/558436861.db2.gz	ZXDWZVWVDAQQTK-UHFFFAOYSA-N	1	0	424.932	4.260	50	10		HICARO
CC(C)[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccccc1O)N2	ZINC000080324930	568601497	/nfs/dbraw/zinc/60/14/97/568601497.db2.gz	ALCVAVJWTSSLFU-IBGZPJMESA-N	1	0	413.949	4.475	50	10		HICARO
CCOCc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12	ZINC000058085642	568883866	/nfs/dbraw/zinc/88/38/66/568883866.db2.gz	RCWQGUWRZNLNNX-UHFFFAOYSA-N	1	0	411.933	4.453	50	10		HICARO
CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)[NH+]3CCCCC3)ccc21	ZINC000013007724	569406655	/nfs/dbraw/zinc/40/66/55/569406655.db2.gz	QGZGDWWGQKPRGO-OAQYLSRUSA-N	1	0	415.940	4.428	50	10		HICARO
CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963225	571190154	/nfs/dbraw/zinc/19/01/54/571190154.db2.gz	XMEHXUQRHWOCRM-DEOSSOPVSA-N	1	0	407.558	4.033	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21	ZINC000010214524	571296790	/nfs/dbraw/zinc/29/67/90/571296790.db2.gz	GRWQTHVZNUONRV-NRFANRHFSA-N	1	0	421.541	4.455	50	10		HICARO
COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1	ZINC000009137760	132336366	/nfs/dbraw/zinc/33/63/66/132336366.db2.gz	KVOBGINZWDCWCO-DEOSSOPVSA-N	1	0	407.558	4.035	50	10		HICARO
CCN1C(=O)/C(=C\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)SC1=S	ZINC000019831762	558291756	/nfs/dbraw/zinc/29/17/56/558291756.db2.gz	PRFXCLRQMQTTLQ-LVZFUZTISA-N	1	0	423.607	4.115	50	10		HICARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1O	ZINC000012570716	558428772	/nfs/dbraw/zinc/42/87/72/558428772.db2.gz	WKVJYMQPCQUPTN-SFHVURJKSA-N	1	0	414.521	4.239	50	10		HICARO
OCC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1CCCc1ccccc1	ZINC000022926280	558523265	/nfs/dbraw/zinc/52/32/65/558523265.db2.gz	GXKYNLBUVYGSGA-QHCPKHFHSA-N	1	0	404.554	4.047	50	10		HICARO
Oc1ccc(N2CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)CC2)cc1	ZINC000028773933	558704288	/nfs/dbraw/zinc/70/42/88/558704288.db2.gz	BKYVVOAEIWSRKI-UHFFFAOYSA-N	1	0	413.315	4.336	50	10		HICARO
Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4cc(C)c(C)cc4O)CC3)n2)cc1	ZINC000058789419	558930307	/nfs/dbraw/zinc/93/03/07/558930307.db2.gz	KPVZRZAWDDWFNB-IBGZPJMESA-N	1	0	406.530	4.246	50	10		HICARO
C[NH+](C)CCCNc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004770068	559055625	/nfs/dbraw/zinc/05/56/25/559055625.db2.gz	WKYLCHAVFNIHMP-UHFFFAOYSA-N	1	0	400.276	4.165	50	10		HICARO
COc1ccc([C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[NH+](C)C)cc1OC	ZINC000006510046	569062056	/nfs/dbraw/zinc/06/20/56/569062056.db2.gz	XVHZXNMUKXOVBN-QFIPXVFZSA-N	1	0	421.541	4.144	50	10		HICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cc(O)ccc3O)=NN12	ZINC000007596792	569287749	/nfs/dbraw/zinc/28/77/49/569287749.db2.gz	IVYVSFSBMSQZET-LJQANCHMSA-N	1	0	413.905	4.107	50	10		HICARO
CC[NH+](CC)CCOC(=O)c1c(C)oc2c1c(C[NH+](C)C)c([O-])c(Cl)c2Cl	ZINC000002287518	569364651	/nfs/dbraw/zinc/36/46/51/569364651.db2.gz	VGTMMQZJKPLJAK-UHFFFAOYSA-N	1	0	417.333	4.314	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccccc3O)C[C@@H]21	ZINC000010214481	571296821	/nfs/dbraw/zinc/29/68/21/571296821.db2.gz	DCWZCWFAUGYQQI-FQEVSTJZSA-N	1	0	407.514	4.146	50	10		HICARO
Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137956	132228372	/nfs/dbraw/zinc/22/83/72/132228372.db2.gz	SUNANFOAODNPMO-DEOSSOPVSA-N	1	0	421.585	4.100	50	10		HICARO
COc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3O)CC2)cc1OC	ZINC000034683250	557386080	/nfs/dbraw/zinc/38/60/80/557386080.db2.gz	OQZTUBTYHDQJJX-UHFFFAOYSA-N	1	0	412.530	4.063	50	10		HICARO
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cccc(OC)c2O)C1	ZINC000011662150	558265951	/nfs/dbraw/zinc/26/59/51/558265951.db2.gz	IVMZQFMGAPFRSX-HSZRJFAPSA-N	1	0	419.468	4.067	50	10		HICARO
COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2	ZINC000011788474	558276723	/nfs/dbraw/zinc/27/67/23/558276723.db2.gz	YFFANZUYHUMGKU-QGZVFWFLSA-N	1	0	400.906	4.295	50	10		HICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1	ZINC000055197407	558875446	/nfs/dbraw/zinc/87/54/46/558875446.db2.gz	WOHZWNYSPZMABW-QHCPKHFHSA-N	1	0	413.606	4.169	50	10		HICARO
CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963226	571190003	/nfs/dbraw/zinc/19/00/03/571190003.db2.gz	XMEHXUQRHWOCRM-XMMPIXPASA-N	1	0	407.558	4.033	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](CC)CC1)N1N=C(c3ccccc3O)C[C@H]21	ZINC000010214485	571296773	/nfs/dbraw/zinc/29/67/73/571296773.db2.gz	DCWZCWFAUGYQQI-HXUWFJFHSA-N	1	0	407.514	4.146	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214587	571296923	/nfs/dbraw/zinc/29/69/23/571296923.db2.gz	HVRSPGFUPRUUFG-OAQYLSRUSA-N	1	0	407.514	4.146	50	10		HICARO
COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cc(Cl)ccc3O)C1)CC2	ZINC000020515466	846384993	/nfs/dbraw/zinc/38/49/93/846384993.db2.gz	SODDJWMBFIJEFX-FQEVSTJZSA-N	1	0	416.949	4.086	50	10		HICARO
C[NH+](C)CCCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006738035	132314359	/nfs/dbraw/zinc/31/43/59/132314359.db2.gz	WPLPMTQZWWSKMR-UHFFFAOYSA-N	1	0	404.514	4.393	50	10		HICARO
COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1	ZINC000009137752	132336370	/nfs/dbraw/zinc/33/63/70/132336370.db2.gz	KVOBGINZWDCWCO-XMMPIXPASA-N	1	0	407.558	4.035	50	10		HICARO
Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1	ZINC000009137817	132336541	/nfs/dbraw/zinc/33/65/41/132336541.db2.gz	GFIQCVVQXRLKQU-VWLOTQADSA-N	1	0	405.586	4.263	50	10		HICARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]Cc3cccnc3)CC2)c1	ZINC000011791280	537002216	/nfs/dbraw/zinc/00/22/16/537002216.db2.gz	IBMGOSSQQBTZNF-UHFFFAOYSA-N	1	0	416.525	4.101	50	10		HICARO
Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1	ZINC000072054372	558443646	/nfs/dbraw/zinc/44/36/46/558443646.db2.gz	WZNNNJFRRQJBDK-UHFFFAOYSA-N	1	0	416.569	4.268	50	10		HICARO
Oc1c([C@@H](c2cccs2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21	ZINC000013060046	558509682	/nfs/dbraw/zinc/50/96/82/558509682.db2.gz	UUDVBJQQIBBGAH-QFIPXVFZSA-N	1	0	402.523	4.309	50	10		HICARO
COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4ccc(OC)c(F)c4)CC3)c2c1	ZINC000024979736	558624178	/nfs/dbraw/zinc/62/41/78/558624178.db2.gz	QWDUEGIXTFEDFN-UHFFFAOYSA-N	1	0	410.489	4.020	50	10		HICARO
Cc1cnc(C)c(-c2ccc(O)c(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)n1	ZINC000014883564	558676987	/nfs/dbraw/zinc/67/69/87/558676987.db2.gz	XXUWHSXQNLGRMR-UHFFFAOYSA-N	1	0	402.542	4.405	50	10		HICARO
CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000077405950	559003805	/nfs/dbraw/zinc/00/38/05/559003805.db2.gz	DLLAZAXLLFHHOX-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000003364477	568888670	/nfs/dbraw/zinc/88/86/70/568888670.db2.gz	YSUAFCSMZSCLRM-UHFFFAOYSA-N	1	0	421.448	4.042	50	10	aggregator	HICARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349257	569033423	/nfs/dbraw/zinc/03/34/23/569033423.db2.gz	NPOVIXRADCMFTO-RUZDIDTESA-N	1	0	417.528	4.421	50	10		HICARO
COc1ccc(CC(=O)c2ccc([O-])c(C[N@H+]3C[C@H](C)C[C@H](C)C3)c2O)cc1OC	ZINC000013879245	569061578	/nfs/dbraw/zinc/06/15/78/569061578.db2.gz	VKKBENYDLULSKQ-IYBDPMFKSA-N	1	0	413.514	4.018	50	10		HICARO
Cc1c([O-])c(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c3c(c(=O)oc12)CCCC3	ZINC000524731004	569212056	/nfs/dbraw/zinc/21/20/56/569212056.db2.gz	GIUNMUSJRWBYGC-FDDCHVKYSA-N	1	0	424.585	4.382	50	10		HICARO
CCOc1cccc([C@@H]2CC(c3cccc(OC)c3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298401	569219367	/nfs/dbraw/zinc/21/93/67/569219367.db2.gz	DUYJJQYZKSHRJD-QFIPXVFZSA-N	1	0	423.557	4.135	50	10		HICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1	ZINC000020363472	846384020	/nfs/dbraw/zinc/38/40/20/846384020.db2.gz	JKLKLMHAPDGAQN-SFHVURJKSA-N	1	0	424.570	4.201	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](C/C(C)=C/c4ccccc4)C3)CC2)cc1	ZINC000020534940	524435414	/nfs/dbraw/zinc/43/54/14/524435414.db2.gz	IAHZTKBLAFXQHL-MATVXJHQSA-N	1	0	405.586	4.385	50	10		HICARO
CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000011933890	558298322	/nfs/dbraw/zinc/29/83/22/558298322.db2.gz	LNPHULADHDZWQZ-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
CCOc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1O	ZINC000012570722	558428784	/nfs/dbraw/zinc/42/87/84/558428784.db2.gz	WKVJYMQPCQUPTN-GOSISDBHSA-N	1	0	414.521	4.239	50	10		HICARO
Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4cc(C)c(C)cc4O)CC3)n2)cc1	ZINC000058789418	558930331	/nfs/dbraw/zinc/93/03/31/558930331.db2.gz	KPVZRZAWDDWFNB-LJQANCHMSA-N	1	0	406.530	4.246	50	10		HICARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1	ZINC000005098026	559245284	/nfs/dbraw/zinc/24/52/84/559245284.db2.gz	LVJGPJVXPDOGAP-FQEVSTJZSA-N	1	0	416.363	4.082	50	10		HICARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]Cc3ccco3)CC2)c1	ZINC000299771358	568874331	/nfs/dbraw/zinc/87/43/31/568874331.db2.gz	WUQKONYAQOENFZ-UHFFFAOYSA-N	1	0	405.498	4.299	50	10		HICARO
C[NH+](C)CCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737868	569106323	/nfs/dbraw/zinc/10/63/23/569106323.db2.gz	SZSSDAYEIZNXDL-UHFFFAOYSA-N	1	0	404.514	4.393	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000016838201	569264049	/nfs/dbraw/zinc/26/40/49/569264049.db2.gz	BCGQVPMNFLHPCF-HSZRJFAPSA-N	1	0	407.558	4.035	50	10		HICARO
CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214499	571296886	/nfs/dbraw/zinc/29/68/86/571296886.db2.gz	UTWWQEARKRCPHO-FQEVSTJZSA-N	1	0	407.514	4.065	50	10		HICARO
CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000012455554	845872147	/nfs/dbraw/zinc/87/21/47/845872147.db2.gz	JJUDYDBKGWTWKS-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137971	132336562	/nfs/dbraw/zinc/33/65/62/132336562.db2.gz	FUSFZQLUFMNMKJ-RUZDIDTESA-N	1	0	421.585	4.100	50	10		HICARO
Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1	ZINC000009137820	132336613	/nfs/dbraw/zinc/33/66/13/132336613.db2.gz	GFIQCVVQXRLKQU-RUZDIDTESA-N	1	0	405.586	4.263	50	10		HICARO
COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137733	536997919	/nfs/dbraw/zinc/99/79/19/536997919.db2.gz	ZZUBCNCFCVGQHS-HSZRJFAPSA-N	1	0	407.558	4.035	50	10		HICARO
CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000011953985	558303168	/nfs/dbraw/zinc/30/31/68/558303168.db2.gz	OXNNXZXOFWUOLX-UHFFFAOYSA-N	1	0	413.514	4.015	50	10		HICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(Cl)c(F)c4)C3)CC2)cc1	ZINC000020234241	558350536	/nfs/dbraw/zinc/35/05/36/558350536.db2.gz	DBSDWFUDLSPVHF-FQEVSTJZSA-N	1	0	417.956	4.274	50	10		HICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C/C=C/c4ccc(F)cc4)C3)CC2)cc1	ZINC000020992924	558426197	/nfs/dbraw/zinc/42/61/97/558426197.db2.gz	QPKXPUSVYSEANP-UQPVFDRXSA-N	1	0	409.549	4.134	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(SC)cc4)C3)CC2)cc1	ZINC000019595664	558946113	/nfs/dbraw/zinc/94/61/13/558946113.db2.gz	BBMDHIXPEOUTHM-JOCHJYFZSA-N	1	0	411.615	4.204	50	10		HICARO
CCN1c2ccccc2S/C1=C\c1cc(C)[n+](CCCN2CCOCC2)c(C)c1	ZINC000033402483	568514540	/nfs/dbraw/zinc/51/45/40/568514540.db2.gz	DXOJIJLGTYJXEG-UHFFFAOYSA-N	1	0	410.607	4.244	50	10		HICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1	ZINC000057646731	568857011	/nfs/dbraw/zinc/85/70/11/568857011.db2.gz	JMXLDEDCVSHXAT-HNAYVOBHSA-N	1	0	412.584	4.025	50	10		HICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@H](COc3ccc(Br)cc3Cl)O2)cc1	ZINC000057645760	568857040	/nfs/dbraw/zinc/85/70/40/568857040.db2.gz	SFVAUENTLGIKHT-CRAIPNDOSA-N	1	0	411.727	4.235	50	10		HICARO
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349255	569033400	/nfs/dbraw/zinc/03/34/00/569033400.db2.gz	DLRAVCGCUPTEEQ-RUZDIDTESA-N	1	0	417.528	4.421	50	10		HICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1cccc(OC)c1O)N2	ZINC000065298308	569219206	/nfs/dbraw/zinc/21/92/06/569219206.db2.gz	PSWZHFZMWNSDGC-JOCHJYFZSA-N	1	0	407.558	4.353	50	10		HICARO
CC[NH+]1CCN(Cc2c3c(ccc2O)oc(C)c3C(=O)Nc2ccc(C)cc2C)CC1	ZINC000019794024	569430018	/nfs/dbraw/zinc/43/00/18/569430018.db2.gz	SUQACZLWZGNFLR-UHFFFAOYSA-N	1	0	421.541	4.453	50	10		HICARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)[NH+]3CCCC3)ccc21	ZINC000008963255	571190324	/nfs/dbraw/zinc/19/03/24/571190324.db2.gz	VVILOVQMMAWQFY-OAQYLSRUSA-N	1	0	417.475	4.265	50	10		HICARO
CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000034683458	557386606	/nfs/dbraw/zinc/38/66/06/557386606.db2.gz	GVCKWQXNULNHRR-UHFFFAOYSA-N	1	0	402.922	4.462	50	10		HICARO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)OCc3ccccc3)C[N@H+](C)[C@@H]1C2	ZINC000003812975	557498776	/nfs/dbraw/zinc/49/87/76/557498776.db2.gz	WZHJKEUHNJHDLS-QTGUNEKASA-N	1	0	403.526	4.065	50	10	in-man	HICARO
COc1ccc(O)c(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1	ZINC000011869570	558290232	/nfs/dbraw/zinc/29/02/32/558290232.db2.gz	CYOSHUDXGPHTFL-XMMPIXPASA-N	1	0	424.585	4.339	50	10		HICARO
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=[NH+]N(CO)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000020215623	558348103	/nfs/dbraw/zinc/34/81/03/558348103.db2.gz	WMNMKQZXAYJQET-KFYHQIPESA-N	1	0	404.558	4.365	50	10		HICARO
CCOc1ccccc1N1CC[NH+](Cc2cc(-c3cccc(OC)n3)ccc2O)CC1	ZINC000055119049	558873024	/nfs/dbraw/zinc/87/30/24/558873024.db2.gz	ORGSEBJHEXZWFS-UHFFFAOYSA-N	1	0	419.525	4.184	50	10		HICARO
CC[NH+](CC)CCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004961915	559217909	/nfs/dbraw/zinc/21/79/09/559217909.db2.gz	OBUIDWUUJCRNNN-UHFFFAOYSA-N	1	0	404.514	4.393	50	10		HICARO
CCOC(=O)c1c2c(ccc(O)c2C[NH+](C)C)n(CC)c1-c1ccc(OC(C)=O)cc1	ZINC000003154757	560750014	/nfs/dbraw/zinc/75/00/14/560750014.db2.gz	GVFVDLPTEOYBGD-UHFFFAOYSA-N	1	0	424.497	4.197	50	10		HICARO
CN1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1	ZINC000021486623	568704219	/nfs/dbraw/zinc/70/42/19/568704219.db2.gz	VBMWOSHZIVCIKC-FQEVSTJZSA-N	1	0	401.432	4.296	50	10		HICARO
Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccc(Cl)cc1	ZINC000006082926	568996532	/nfs/dbraw/zinc/99/65/32/568996532.db2.gz	CTVPWOGGAJWDEK-FQEVSTJZSA-N	1	0	401.890	4.219	50	10		HICARO
C[C@H]1CCC[N@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006737862	569106347	/nfs/dbraw/zinc/10/63/47/569106347.db2.gz	LDMWCYXXLLLJOU-HNNXBMFYSA-N	1	0	404.514	4.249	50	10		HICARO
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298321	569219284	/nfs/dbraw/zinc/21/92/84/569219284.db2.gz	USJWPWLXXQGWSG-QFIPXVFZSA-N	1	0	407.558	4.435	50	10		HICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000013008165	569406783	/nfs/dbraw/zinc/40/67/83/569406783.db2.gz	WNXGZWYKXSHOOQ-HXUWFJFHSA-N	1	0	405.464	4.121	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1	ZINC000019789650	569429756	/nfs/dbraw/zinc/42/97/56/569429756.db2.gz	RWWGYYVFDTXYDF-LNTPEENLSA-N	1	0	409.618	4.106	50	10		HICARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3C(F)(F)F)[NH+]3CCCC3)ccc21	ZINC000008963286	571190577	/nfs/dbraw/zinc/19/05/77/571190577.db2.gz	RIENEXVEZZKSRK-NRFANRHFSA-N	1	0	417.475	4.265	50	10		HICARO
COc1ccccc1N1CC[NH+](Cc2cc(COC(C)C)c3cccnc3c2O)CC1	ZINC000006804068	132317764	/nfs/dbraw/zinc/31/77/64/132317764.db2.gz	UTOXUOBGCLQCNH-UHFFFAOYSA-N	1	0	421.541	4.196	50	10		HICARO
COc1ccc(N2CC[NH+](CCCNc3ncnc4c5ccccc5oc43)CC2)cc1	ZINC000026761314	536696036	/nfs/dbraw/zinc/69/60/36/536696036.db2.gz	VGCIQIQNQMOZQG-UHFFFAOYSA-N	1	0	417.513	4.009	50	10		HICARO
COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2	ZINC000011788473	558276641	/nfs/dbraw/zinc/27/66/41/558276641.db2.gz	YFFANZUYHUMGKU-KRWDZBQOSA-N	1	0	400.906	4.295	50	10		HICARO
OCC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1CCCc1ccccc1	ZINC000022926274	558523232	/nfs/dbraw/zinc/52/32/32/558523232.db2.gz	GXKYNLBUVYGSGA-HSZRJFAPSA-N	1	0	404.554	4.047	50	10		HICARO
CC1(C)CC([NH2+]Cc2cc(Br)cc(Br)c2[O-])CC(C)(C)[NH2+]1	ZINC000023549767	558781922	/nfs/dbraw/zinc/78/19/22/558781922.db2.gz	ZMLCXPUQRIPZAZ-UHFFFAOYSA-N	1	0	420.189	4.316	50	10		HICARO
O=S(=O)(Nc1cccc(N2CCC([NH2+]C3CCCC3)CC2)c1)c1ccc(F)cc1	ZINC000299801957	558843255	/nfs/dbraw/zinc/84/32/55/558843255.db2.gz	ZHUFBSQZNDWMHS-UHFFFAOYSA-N	1	0	417.550	4.128	50	10		HICARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH+]1CCN(c2ccccc2F)CC1	ZINC000064093388	558962185	/nfs/dbraw/zinc/96/21/85/558962185.db2.gz	JASRSMRFUCXAQJ-UHFFFAOYSA-N	1	0	406.457	4.249	50	10		HICARO
Oc1c([C@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc2cccnc21	ZINC000020192730	568593578	/nfs/dbraw/zinc/59/35/78/568593578.db2.gz	FZCNGNCIVMTVKL-XMMPIXPASA-N	1	0	414.484	4.386	50	10		HICARO
C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(Br)ccc1O	ZINC000095469450	568625554	/nfs/dbraw/zinc/62/55/54/568625554.db2.gz	YTNCMMNDPHJNIA-CQSZACIVSA-N	1	0	403.320	4.128	50	10		HICARO
O[C@@]1(c2ccc(Cl)cc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21	ZINC000002921897	568816937	/nfs/dbraw/zinc/81/69/37/568816937.db2.gz	CWSHOTRWQIHPEM-GOSISDBHSA-N	1	0	424.771	4.273	50	10		HICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1	ZINC000006654899	569082870	/nfs/dbraw/zinc/08/28/70/569082870.db2.gz	IGGGUAJDSOCMRB-HNNXBMFYSA-N	1	0	408.321	4.023	50	10		HICARO
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=[NH+]N(CO)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000006712223	569097328	/nfs/dbraw/zinc/09/73/28/569097328.db2.gz	WMNMKQZXAYJQET-BYFMOXHQSA-N	1	0	404.558	4.365	50	10		HICARO
CCOc1cccc([C@H]2CC(c3ccc(OC)cc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298374	569219386	/nfs/dbraw/zinc/21/93/86/569219386.db2.gz	VYQQQCXQSNBGEO-JOCHJYFZSA-N	1	0	423.557	4.135	50	10		HICARO
COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc3c(cc1O)OCO3)CC2	ZINC000007141725	569226238	/nfs/dbraw/zinc/22/62/38/569226238.db2.gz	QQRFBWMKJHUEBE-RUZDIDTESA-N	1	0	419.477	4.286	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccccc3O)C[C@H]21	ZINC000007596800	569287824	/nfs/dbraw/zinc/28/78/24/569287824.db2.gz	IMIPBUPVQGOOOH-HXUWFJFHSA-N	1	0	407.514	4.145	50	10		HICARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007773	569406612	/nfs/dbraw/zinc/40/66/12/569406612.db2.gz	JFGDCOZPGSUMMF-DEOSSOPVSA-N	1	0	407.558	4.035	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc(SC)c4)C3)CC2)cc1	ZINC000019229436	558853408	/nfs/dbraw/zinc/85/34/08/558853408.db2.gz	VIISTGQPLNJIDS-JOCHJYFZSA-N	1	0	411.615	4.204	50	10		HICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1	ZINC000057646729	568857054	/nfs/dbraw/zinc/85/70/54/568857054.db2.gz	JMXLDEDCVSHXAT-BEFAXECRSA-N	1	0	412.584	4.025	50	10		HICARO
COc1ccc(N2CC[NH+](Cc3cc(=O)oc4c5ccccc5ccc34)CC2)cc1	ZINC000054105925	569057479	/nfs/dbraw/zinc/05/74/79/569057479.db2.gz	HMRYPIZHYSCOHL-UHFFFAOYSA-N	1	0	400.478	4.277	50	10	aggregator	HICARO
C[NH+](C)CCCNc1cc(NC2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000006661737	569085361	/nfs/dbraw/zinc/08/53/61/569085361.db2.gz	VPEHQUZLVMAHAQ-UHFFFAOYSA-N	1	0	420.557	4.152	50	10		HICARO
C[C@H]1C[C@H](C)C[NH+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006737864	569106383	/nfs/dbraw/zinc/10/63/83/569106383.db2.gz	LBZWGYBTLCKFFV-HOTGVXAUSA-N	1	0	418.541	4.495	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137391	132336403	/nfs/dbraw/zinc/33/64/03/132336403.db2.gz	IBTIWSHBRQQDJE-XMMPIXPASA-N	1	0	421.585	4.425	50	10		HICARO
Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1	ZINC000011817130	132351017	/nfs/dbraw/zinc/35/10/17/132351017.db2.gz	KBYIHYHVMMUCBQ-QGZVFWFLSA-N	1	0	404.514	4.229	50	10		HICARO
CC(=C\c1sc2ccccc2[n+]1CCO)/C=C1\Sc2ccccc2N1CCO	ZINC000004531736	557564298	/nfs/dbraw/zinc/56/42/98/557564298.db2.gz	AJKPVPNBPNCPLH-UHFFFAOYSA-N	1	0	411.572	4.030	50	10		HICARO
CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012715198	558454637	/nfs/dbraw/zinc/45/46/37/558454637.db2.gz	LXXIMMIPBXYSTM-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1	ZINC000015946328	558763415	/nfs/dbraw/zinc/76/34/15/558763415.db2.gz	KPFZHCRSYUKOSP-INIZCTEOSA-N	1	0	422.348	4.412	50	10		HICARO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc4cn(C5CCCC5)cc4s3)cc2)CC1	ZINC000097138260	558996551	/nfs/dbraw/zinc/99/65/51/558996551.db2.gz	XOGKUCYCJRSADW-UHFFFAOYSA-N	1	0	422.598	4.500	50	10		HICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1	ZINC000057646725	568856972	/nfs/dbraw/zinc/85/69/72/568856972.db2.gz	JMXLDEDCVSHXAT-DNVCBOLYSA-N	1	0	412.584	4.025	50	10		HICARO
CC(=O)c1ccc(N2C[C@](O)(c3ccc(C(C)(C)C)cc3)[N+]3=C2SCCC3)cc1	ZINC000003226872	568864328	/nfs/dbraw/zinc/86/43/28/568864328.db2.gz	NOXJEPOXQQFHJA-DEOSSOPVSA-N	1	0	409.575	4.357	50	10		HICARO
CCCc1cc(=O)oc2c(C)c([O-])c(C[N@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524730576	569051671	/nfs/dbraw/zinc/05/16/71/569051671.db2.gz	NTJKIVSTSXVEIE-SIKLNZKXSA-N	1	0	412.574	4.456	50	10		HICARO
CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1	ZINC000006978576	569192575	/nfs/dbraw/zinc/19/25/75/569192575.db2.gz	BAPJNCDYXAJULO-UHFFFAOYSA-N	1	0	422.598	4.200	50	10		HICARO
CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838235	569263979	/nfs/dbraw/zinc/26/39/79/569263979.db2.gz	JCFYDZXCEXPKDD-XMMPIXPASA-N	1	0	407.558	4.035	50	10		HICARO
COc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2ccccc2O)CC3)cc1Cl	ZINC000011996192	845846901	/nfs/dbraw/zinc/84/69/01/845846901.db2.gz	JEBCMFZAUVDALV-QGZVFWFLSA-N	1	0	400.906	4.295	50	10		HICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1	ZINC000020363469	846383375	/nfs/dbraw/zinc/38/33/75/846383375.db2.gz	JKLKLMHAPDGAQN-GOSISDBHSA-N	1	0	424.570	4.201	50	10		HICARO
Cc1c([C@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1	ZINC000011817131	132350998	/nfs/dbraw/zinc/35/09/98/132350998.db2.gz	KBYIHYHVMMUCBQ-KRWDZBQOSA-N	1	0	404.514	4.229	50	10		HICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21	ZINC000009137861	536397473	/nfs/dbraw/zinc/39/74/73/536397473.db2.gz	UWICHHJQGITPRJ-QHCPKHFHSA-N	1	0	413.512	4.304	50	10		HICARO
COc1ccc(O)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1	ZINC000011869572	558290247	/nfs/dbraw/zinc/29/02/47/558290247.db2.gz	CYOSHUDXGPHTFL-DEOSSOPVSA-N	1	0	424.585	4.339	50	10		HICARO
CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000012075088	558319458	/nfs/dbraw/zinc/31/94/58/558319458.db2.gz	RCHFPOHHGQPTSE-UHFFFAOYSA-N	1	0	413.514	4.015	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](C/C(C)=C/c4ccccc4)C3)CC2)cc1	ZINC000020534938	558385662	/nfs/dbraw/zinc/38/56/62/558385662.db2.gz	IAHZTKBLAFXQHL-OYDDMCODSA-N	1	0	405.586	4.385	50	10		HICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1O	ZINC000020780825	558412716	/nfs/dbraw/zinc/41/27/16/558412716.db2.gz	XRDUOVACHRGKHS-LJQANCHMSA-N	1	0	424.570	4.201	50	10		HICARO
Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	ZINC000013097735	558513880	/nfs/dbraw/zinc/51/38/80/558513880.db2.gz	CBTWTCKLSICRRW-UHFFFAOYSA-N	1	0	409.408	4.258	50	10		HICARO
COc1cccc(-c2ccc(O)c(C[NH+]3CCN(c4cc(C)ccc4C)CC3)c2)n1	ZINC000023367846	558552800	/nfs/dbraw/zinc/55/28/00/558552800.db2.gz	DVGRADGMKTZFSF-UHFFFAOYSA-N	1	0	403.526	4.402	50	10		HICARO
COc1ccc([C@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c(O)c1	ZINC000095940767	568661748	/nfs/dbraw/zinc/66/17/48/568661748.db2.gz	KHPJBQZMHZIIAN-AREMUKBSSA-N	1	0	418.537	4.112	50	10		HICARO
O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000008185843	568980494	/nfs/dbraw/zinc/98/04/94/568980494.db2.gz	JJLBPDIUCIZIKS-UHFFFAOYSA-N	1	0	404.466	4.125	50	10		HICARO
Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12)CCCC3	ZINC000524731847	569212405	/nfs/dbraw/zinc/21/24/05/569212405.db2.gz	MLGRFMUBLHDUBI-PGRDOPGGSA-N	1	0	424.585	4.382	50	10		HICARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1O	ZINC000014311748	569259441	/nfs/dbraw/zinc/25/94/41/569259441.db2.gz	ZUZNTBFPFRRFMH-UHFFFAOYSA-N	1	0	403.478	4.427	50	10		HICARO
Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137960	132228364	/nfs/dbraw/zinc/22/83/64/132228364.db2.gz	SUNANFOAODNPMO-XMMPIXPASA-N	1	0	421.585	4.100	50	10		HICARO
COc1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000019795184	558284223	/nfs/dbraw/zinc/28/42/23/558284223.db2.gz	QBVSDFMGMRUPGN-JURIHQFCSA-N	1	0	421.585	4.004	50	10		HICARO
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1	ZINC000014521662	558655382	/nfs/dbraw/zinc/65/53/82/558655382.db2.gz	WIOVCWBHGVHNHR-UHFFFAOYSA-N	1	0	423.948	4.147	50	10		HICARO
CSc1ccc2c(c1)[C@@H](N1CC[NH+](CCCO)CC1)Cc1ccc(F)cc1S2	ZINC000033824214	558771469	/nfs/dbraw/zinc/77/14/69/558771469.db2.gz	LPFRDGDSDQFNIT-FQEVSTJZSA-N	1	0	418.603	4.296	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc(SC)c4)C3)CC2)cc1	ZINC000019229438	558853448	/nfs/dbraw/zinc/85/34/48/558853448.db2.gz	VIISTGQPLNJIDS-QFIPXVFZSA-N	1	0	411.615	4.204	50	10		HICARO
CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1	ZINC000005098058	559245292	/nfs/dbraw/zinc/24/52/92/559245292.db2.gz	FOMKRRBOEZOTSW-RUZDIDTESA-N	1	0	401.554	4.402	50	10		HICARO
C[N@@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000409414831	559250758	/nfs/dbraw/zinc/25/07/58/559250758.db2.gz	XSASIJSJOSWKIN-HTAPYJJXSA-N	1	0	410.558	4.074	50	10		HICARO
CN(C)c1cc(NCC[NH+]2CCCCCC2)c2c3c1noc3-c1ccccc1C2=O	ZINC000006737856	569106286	/nfs/dbraw/zinc/10/62/86/569106286.db2.gz	FGYXTVKSEZJPMM-UHFFFAOYSA-N	1	0	404.514	4.393	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](CC)CC3)N[C@@H](c3cccc(OC)c3O)C2)cc1	ZINC000065298246	569219197	/nfs/dbraw/zinc/21/91/97/569219197.db2.gz	PBWSJOFBORUKIU-JOCHJYFZSA-N	1	0	423.557	4.135	50	10		HICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1cccc(OC)c1O)N2	ZINC000065298177	569219282	/nfs/dbraw/zinc/21/92/82/569219282.db2.gz	INZBKAWBSKTSHY-FQEVSTJZSA-N	1	0	413.949	4.390	50	10		HICARO
CCOc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298356	569219374	/nfs/dbraw/zinc/21/93/74/569219374.db2.gz	OBNAXDNRJLOAEE-HXUWFJFHSA-N	1	0	413.949	4.390	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5cccnc54)C3)CC2)cc1	ZINC000019224607	846359980	/nfs/dbraw/zinc/35/99/80/846359980.db2.gz	AMNZMWZWZXZYHY-DEOSSOPVSA-N	1	0	416.569	4.030	50	10		HICARO
COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cc(Cl)ccc3O)C1)CC2	ZINC000020515462	846385545	/nfs/dbraw/zinc/38/55/45/846385545.db2.gz	SODDJWMBFIJEFX-HXUWFJFHSA-N	1	0	416.949	4.086	50	10		HICARO
COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(OC)cc2O)C3)c1	ZINC000064157909	851837533	/nfs/dbraw/zinc/83/75/33/851837533.db2.gz	CYJBRLQTNSYXKU-UHFFFAOYSA-N	1	0	421.493	4.480	50	10		HICARO
CN(C)c1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCCC3)C2)cc1	ZINC000169765235	853658322	/nfs/dbraw/zinc/65/83/22/853658322.db2.gz	ZWMISRYUXIAVAI-QFIPXVFZSA-N	1	0	421.585	4.280	50	10		HICARO
C[C@@H]1C[C@H](C)CN(c2cc(NCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737849	132314064	/nfs/dbraw/zinc/31/40/64/132314064.db2.gz	OIBFESLJIFHFLF-IYBDPMFKSA-N	1	0	418.541	4.495	50	10		HICARO
CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccc(OC)cc2O)CC1	ZINC000011816712	558280083	/nfs/dbraw/zinc/28/00/83/558280083.db2.gz	BGOWQKLLNQHRFY-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1	ZINC000011873554	558291500	/nfs/dbraw/zinc/29/15/00/558291500.db2.gz	RMOBAGYFOMECMG-IBGZPJMESA-N	1	0	403.482	4.430	50	10		HICARO
CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO	ZINC000012090245	558324020	/nfs/dbraw/zinc/32/40/20/558324020.db2.gz	LEWKJIBUJYNJGY-AWEZNQCLSA-N	1	0	401.457	4.201	50	10		HICARO
COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1	ZINC000013659350	558559580	/nfs/dbraw/zinc/55/95/80/558559580.db2.gz	GXNZLBHSYDKCJY-KRWDZBQOSA-N	1	0	416.949	4.363	50	10		HICARO
COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1	ZINC000013659354	558559594	/nfs/dbraw/zinc/55/95/94/558559594.db2.gz	GXNZLBHSYDKCJY-QGZVFWFLSA-N	1	0	416.949	4.363	50	10		HICARO
Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3O)cc2)n1	ZINC000019148124	558847023	/nfs/dbraw/zinc/84/70/23/558847023.db2.gz	AUUWLCTZOLMQKO-JOCHJYFZSA-N	1	0	404.514	4.188	50	10		HICARO
Oc1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccc3F)CC2)ccc2cccnc21	ZINC000020192737	568593714	/nfs/dbraw/zinc/59/37/14/568593714.db2.gz	JWBZBEGBWBYWNB-DEOSSOPVSA-N	1	0	414.484	4.386	50	10		HICARO
COc1ccc([C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)c(O)c1	ZINC000095940768	568661676	/nfs/dbraw/zinc/66/16/76/568661676.db2.gz	KHPJBQZMHZIIAN-SANMLTNESA-N	1	0	418.537	4.112	50	10		HICARO
COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1	ZINC000064818014	569101235	/nfs/dbraw/zinc/10/12/35/569101235.db2.gz	UMDNVTINVPYTAJ-UHFFFAOYSA-N	1	0	419.569	4.134	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	ZINC000010214535	571297016	/nfs/dbraw/zinc/29/70/16/571297016.db2.gz	INNHUEXUOIFJKN-GOSISDBHSA-N	1	0	413.905	4.020	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc5cccnc54)C3)CC2)cc1	ZINC000019224604	846359671	/nfs/dbraw/zinc/35/96/71/846359671.db2.gz	AMNZMWZWZXZYHY-XMMPIXPASA-N	1	0	416.569	4.030	50	10		HICARO
C[C@H]1C[C@H](C)CN(c2cc(NCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737850	132314062	/nfs/dbraw/zinc/31/40/62/132314062.db2.gz	OIBFESLJIFHFLF-HOTGVXAUSA-N	1	0	418.541	4.495	50	10		HICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1O	ZINC000020780827	558412746	/nfs/dbraw/zinc/41/27/46/558412746.db2.gz	XRDUOVACHRGKHS-IBGZPJMESA-N	1	0	424.570	4.201	50	10		HICARO
COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)ccc1O	ZINC000004903194	559200120	/nfs/dbraw/zinc/20/01/20/559200120.db2.gz	PDNPJICNZWAMBS-FQEVSTJZSA-N	1	0	407.514	4.145	50	10		HICARO
C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000106231559	569009154	/nfs/dbraw/zinc/00/91/54/569009154.db2.gz	ZXWLWGLDLORQAZ-RTWAWAEBSA-N	1	0	421.585	4.246	50	10		HICARO
O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)NCc1ccc(F)cc1	ZINC000011873234	845839027	/nfs/dbraw/zinc/83/90/27/845839027.db2.gz	VBDHDHOODWPIHJ-UHFFFAOYSA-N	1	0	404.913	4.493	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cc5ccccc5o4)C3)CC2)cc1	ZINC000019842305	846373793	/nfs/dbraw/zinc/37/37/93/846373793.db2.gz	GFEFCLVDRRCTEK-JOCHJYFZSA-N	1	0	405.542	4.228	50	10		HICARO
COc1cccc(-c2ccc(O)c(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2)n1	ZINC000023362111	525714392	/nfs/dbraw/zinc/71/43/92/525714392.db2.gz	FDYKWWUHOSWGRY-RMKNXTFCSA-N	1	0	415.537	4.294	50	10		HICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C/C=C/c4ccc(F)cc4)C3)CC2)cc1	ZINC000020992920	558426172	/nfs/dbraw/zinc/42/61/72/558426172.db2.gz	QPKXPUSVYSEANP-JWZSXRADSA-N	1	0	409.549	4.134	50	10		HICARO
Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C	ZINC000013097729	558513822	/nfs/dbraw/zinc/51/38/22/558513822.db2.gz	YECAEDMJYDNKBY-UHFFFAOYSA-N	1	0	409.408	4.258	50	10		HICARO
COc1ccc(N2CC[NH+](Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1	ZINC000054105948	569057509	/nfs/dbraw/zinc/05/75/09/569057509.db2.gz	KIZGKKTWCCXTRD-UHFFFAOYSA-N	1	0	400.478	4.277	50	10	aggregator	HICARO
COc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2ccc(N(C)C)cc2)C3)cc1OC	ZINC000065270400	569214048	/nfs/dbraw/zinc/21/40/48/569214048.db2.gz	CAQCZDPEGVGMKO-UHFFFAOYSA-N	1	0	406.530	4.039	50	10		HICARO
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298373	569219333	/nfs/dbraw/zinc/21/93/33/569219333.db2.gz	VYQQQCXQSNBGEO-QFIPXVFZSA-N	1	0	423.557	4.135	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cccc(OCC)c3O)C2)cc1	ZINC000065298384	569219415	/nfs/dbraw/zinc/21/94/15/569219415.db2.gz	HTTMFWYRQVJISG-QFIPXVFZSA-N	1	0	423.557	4.135	50	10		HICARO
COc1ccc(O)c(C[N@@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1	ZINC000055120381	849974572	/nfs/dbraw/zinc/97/45/72/849974572.db2.gz	BQQMQQWCQGWDFC-UHFFFAOYSA-N	1	0	421.493	4.480	50	10		HICARO
CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cccc(OC)c2O)C1	ZINC000011662149	558265906	/nfs/dbraw/zinc/26/59/06/558265906.db2.gz	IVMZQFMGAPFRSX-QHCPKHFHSA-N	1	0	419.468	4.067	50	10		HICARO
Cc1ccc(C)c([N+]2=C3SCCCN3[C@](O)(c3ccc(Br)cc3)C2)c1	ZINC000013809740	558595291	/nfs/dbraw/zinc/59/52/91/558595291.db2.gz	QTYGFPCZEAKECN-HXUWFJFHSA-N	1	0	418.380	4.237	50	10		HICARO
Oc1ccc(-c2cnccn2)cc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000064057982	558961973	/nfs/dbraw/zinc/96/19/73/558961973.db2.gz	JXACFOQHHGJNTN-UHFFFAOYSA-N	1	0	414.431	4.190	50	10		HICARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)CC2)cc1	ZINC000061992866	560568771	/nfs/dbraw/zinc/56/87/71/560568771.db2.gz	VIPKOQORFVPTBM-HLMLHLEXSA-N	1	0	424.585	4.276	50	10		HICARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)CC2)cc1	ZINC000061992867	560568786	/nfs/dbraw/zinc/56/87/86/560568786.db2.gz	VIPKOQORFVPTBM-MWXBQQNOSA-N	1	0	424.585	4.276	50	10		HICARO
Cc1ccc(C2=NC3(CC[NH2+]CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298097	569219277	/nfs/dbraw/zinc/21/92/77/569219277.db2.gz	KJXXSMZLHVJQSD-LJQANCHMSA-N	1	0	414.347	4.067	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccccc3O)C[C@@H]21	ZINC000007596798	569287792	/nfs/dbraw/zinc/28/77/92/569287792.db2.gz	IMIPBUPVQGOOOH-FQEVSTJZSA-N	1	0	407.514	4.145	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010214472	571296811	/nfs/dbraw/zinc/29/68/11/571296811.db2.gz	IIYGJTLOFKHISU-HXUWFJFHSA-N	1	0	407.514	4.146	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	ZINC000010214534	571296945	/nfs/dbraw/zinc/29/69/45/571296945.db2.gz	INNHUEXUOIFJKN-SFHVURJKSA-N	1	0	413.905	4.020	50	10		HICARO
CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCCC3)ccc21	ZINC000009137424	536397546	/nfs/dbraw/zinc/39/75/46/536397546.db2.gz	XLHNSJBSIZAYCH-JOCHJYFZSA-N	1	0	413.512	4.304	50	10		HICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C/C=C/c4ccccc4OC)C3)CC2)cc1	ZINC000020324038	558355322	/nfs/dbraw/zinc/35/53/22/558355322.db2.gz	RGVFFYLFCJQCNC-GGXQVSFTSA-N	1	0	421.585	4.004	50	10		HICARO
O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2[s+]cc(-c3cccc([N+](=O)[O-])c3)n12	ZINC000017221863	558825959	/nfs/dbraw/zinc/82/59/59/558825959.db2.gz	KIBQVFDITSJBHJ-LZYBPNLTSA-N	1	0	412.428	4.306	50	10		HICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1	ZINC000055197402	558875591	/nfs/dbraw/zinc/87/55/91/558875591.db2.gz	WOHZWNYSPZMABW-HSZRJFAPSA-N	1	0	413.606	4.169	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12	ZINC000005093521	559244253	/nfs/dbraw/zinc/24/42/53/559244253.db2.gz	UWOAFXYTQCWNTR-HXUWFJFHSA-N	1	0	407.514	4.146	50	10		HICARO
CC(C)[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccccc1O)N2	ZINC000080324934	568601520	/nfs/dbraw/zinc/60/15/20/568601520.db2.gz	ALCVAVJWTSSLFU-LJQANCHMSA-N	1	0	413.949	4.475	50	10		HICARO
O[C@]1(c2ccc(Cl)cc2)C[N+](c2ccc(Br)cc2)=C2SCCCN21	ZINC000002921896	568817018	/nfs/dbraw/zinc/81/70/18/568817018.db2.gz	CWSHOTRWQIHPEM-SFHVURJKSA-N	1	0	424.771	4.273	50	10		HICARO
C[C@@H]1C[C@@H](C)C[NH+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006737865	569106291	/nfs/dbraw/zinc/10/62/91/569106291.db2.gz	LBZWGYBTLCKFFV-HZPDHXFCSA-N	1	0	418.541	4.495	50	10		HICARO
COc1cccc([C@@H]2CC(c3ccc(F)cc3)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000065298198	569219223	/nfs/dbraw/zinc/21/92/23/569219223.db2.gz	FTCJWPBBRDWRME-NRFANRHFSA-N	1	0	411.521	4.264	50	10		HICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2O)N3)C1	ZINC000008927632	571160315	/nfs/dbraw/zinc/16/03/15/571160315.db2.gz	FUWOKHNVSJZXKJ-MRXNPFEDSA-N	1	0	422.348	4.332	50	10		HICARO
CCCCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963232	571190179	/nfs/dbraw/zinc/19/01/79/571190179.db2.gz	LNUSVBBZBOPLCJ-RUZDIDTESA-N	1	0	421.585	4.425	50	10		HICARO
CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1	ZINC000032593893	522174959	/nfs/dbraw/zinc/17/49/59/522174959.db2.gz	SECRSKSATBESLL-OAQYLSRUSA-N	1	0	414.933	4.441	50	10		HICARO
CN(C)c1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1	ZINC000032593894	522177728	/nfs/dbraw/zinc/17/77/28/522177728.db2.gz	SECRSKSATBESLL-NRFANRHFSA-N	1	0	414.933	4.441	50	10		HICARO
COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137269	536741827	/nfs/dbraw/zinc/74/18/27/536741827.db2.gz	XELIYAFROYUKQG-DEOSSOPVSA-N	1	0	407.558	4.035	50	10		HICARO
CSc1ccc2c(c1)[C@H](N1CC[NH+](CCCO)CC1)Cc1ccc(F)cc1S2	ZINC000033824213	558771527	/nfs/dbraw/zinc/77/15/27/558771527.db2.gz	LPFRDGDSDQFNIT-HXUWFJFHSA-N	1	0	418.603	4.296	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12	ZINC000005093519	559244293	/nfs/dbraw/zinc/24/42/93/559244293.db2.gz	UWOAFXYTQCWNTR-FQEVSTJZSA-N	1	0	407.514	4.146	50	10		HICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1	ZINC000006654910	568457071	/nfs/dbraw/zinc/45/70/71/568457071.db2.gz	IGGGUAJDSOCMRB-OAHLLOKOSA-N	1	0	408.321	4.023	50	10		HICARO
CC1CC[NH+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)CC1	ZINC000006737857	569106343	/nfs/dbraw/zinc/10/63/43/569106343.db2.gz	CTZYUHFHEDMVAS-UHFFFAOYSA-N	1	0	404.514	4.249	50	10		HICARO
C[C@@H]1CCC[N@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006737861	569106376	/nfs/dbraw/zinc/10/63/76/569106376.db2.gz	LDMWCYXXLLLJOU-OAHLLOKOSA-N	1	0	404.514	4.249	50	10		HICARO
Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)Nc1ccc(C)cc1C	ZINC000019794011	569430133	/nfs/dbraw/zinc/43/01/33/569430133.db2.gz	OXGRMIYBNVRGFB-UHFFFAOYSA-N	1	0	407.514	4.063	50	10		HICARO
O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1	ZINC000011873555	558291415	/nfs/dbraw/zinc/29/14/15/558291415.db2.gz	RMOBAGYFOMECMG-LJQANCHMSA-N	1	0	403.482	4.430	50	10		HICARO
CCOc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO	ZINC000012090248	558323861	/nfs/dbraw/zinc/32/38/61/558323861.db2.gz	LEWKJIBUJYNJGY-CQSZACIVSA-N	1	0	401.457	4.201	50	10		HICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4[nH]c5ccccc5c4C)C3)CC2)cc1	ZINC000020271013	558352872	/nfs/dbraw/zinc/35/28/72/558352872.db2.gz	XXUYBAVTKIGQBD-JOCHJYFZSA-N	1	0	418.585	4.272	50	10		HICARO
Oc1ccc2ccncc2c1C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1	ZINC000022934630	558525756	/nfs/dbraw/zinc/52/57/56/558525756.db2.gz	JCUJXFFWJDUNFD-UHFFFAOYSA-N	1	0	422.579	4.443	50	10		HICARO
COc1ccc(OC)c(-c2ccc(O)c(C[NH+]3CCN(c4ccccc4)CC3)c2)c1	ZINC000055154940	558874415	/nfs/dbraw/zinc/87/44/15/558874415.db2.gz	YMZVMQYBEMFHOX-UHFFFAOYSA-N	1	0	404.510	4.399	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(SC)cc4)C3)CC2)cc1	ZINC000019595665	558946039	/nfs/dbraw/zinc/94/60/39/558946039.db2.gz	BBMDHIXPEOUTHM-QFIPXVFZSA-N	1	0	411.615	4.204	50	10		HICARO
COc1ccc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1	ZINC000057281400	568825959	/nfs/dbraw/zinc/82/59/59/568825959.db2.gz	OTHZWGBOUMCETI-UHFFFAOYSA-N	1	0	401.510	4.270	50	10		HICARO
O=C(N=N/C=C1/SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1)c1cccnc1	ZINC000334141690	568862373	/nfs/dbraw/zinc/86/23/73/568862373.db2.gz	FDEPDWOWFUTLDY-VUPMGEPRSA-N	1	0	402.439	4.051	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cccc(OCC)c3O)C2)cc1	ZINC000065298386	569219426	/nfs/dbraw/zinc/21/94/26/569219426.db2.gz	HTTMFWYRQVJISG-JOCHJYFZSA-N	1	0	423.557	4.135	50	10		HICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cc(O)ccc3O)=NN12	ZINC000007596791	569287796	/nfs/dbraw/zinc/28/77/96/569287796.db2.gz	IVYVSFSBMSQZET-IBGZPJMESA-N	1	0	413.905	4.107	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21	ZINC000010214521	571296768	/nfs/dbraw/zinc/29/67/68/571296768.db2.gz	HQYDBTZHTWQEJY-FQEVSTJZSA-N	1	0	407.514	4.065	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(O)cc3)C[C@H]21	ZINC000010214591	571296931	/nfs/dbraw/zinc/29/69/31/571296931.db2.gz	PWJKIAOTSYUMTQ-OAQYLSRUSA-N	1	0	407.514	4.145	50	10		HICARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137807	132336417	/nfs/dbraw/zinc/33/64/17/132336417.db2.gz	OWGHFTJPKXOTRV-VWLOTQADSA-N	1	0	421.585	4.425	50	10		HICARO
CC(C)c1ccc2c(c1)[C@H]([NH+]1CCN(CCO)CC1)Cc1ccc(F)cc1S2	ZINC000022459325	558490471	/nfs/dbraw/zinc/49/04/71/558490471.db2.gz	XDBMBHVYXPBOPL-OAQYLSRUSA-N	1	0	400.563	4.307	50	10		HICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)cc1	ZINC000022851580	558516934	/nfs/dbraw/zinc/51/69/34/558516934.db2.gz	CTSAWNAZQBOORC-NRFANRHFSA-N	1	0	417.956	4.274	50	10		HICARO
Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccc(Cl)cc1	ZINC000006082930	568996497	/nfs/dbraw/zinc/99/64/97/568996497.db2.gz	CTVPWOGGAJWDEK-HXUWFJFHSA-N	1	0	401.890	4.219	50	10		HICARO
Cc1[nH]c2ccc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)cc2[nH+]1	ZINC000006300080	569038273	/nfs/dbraw/zinc/03/82/73/569038273.db2.gz	DQHHPVADRJWSQV-MHWRWJLKSA-N	1	0	410.275	4.352	50	10		HICARO
O=C(NCc1ccc(N2CCCCC2)cc1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000064818068	569101166	/nfs/dbraw/zinc/10/11/66/569101166.db2.gz	DVVWPIQLQRIZTH-UHFFFAOYSA-N	1	0	407.533	4.265	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	ZINC000065298005	569219301	/nfs/dbraw/zinc/21/93/01/569219301.db2.gz	MOYMXBJHIAOKKU-OAQYLSRUSA-N	1	0	413.949	4.390	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013007689	569406643	/nfs/dbraw/zinc/40/66/43/569406643.db2.gz	ZZVMVJRZRKRNCZ-QHCPKHFHSA-N	1	0	407.558	4.035	50	10		HICARO
CCOC(=O)N1CC[NH+](Cc2cc(-c3cc(C)nc4ccccc43)ccc2O)CC1	ZINC000011783480	558275408	/nfs/dbraw/zinc/27/54/08/558275408.db2.gz	BEITUGLFARLZAY-UHFFFAOYSA-N	1	0	405.498	4.190	50	10		HICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C/C=C/c4ccccc4OC)C3)CC2)cc1	ZINC000020324045	558355296	/nfs/dbraw/zinc/35/52/96/558355296.db2.gz	RGVFFYLFCJQCNC-LNJOJYBOSA-N	1	0	421.585	4.004	50	10		HICARO
C[NH+](C)CCOC(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S	ZINC000005010059	559227854	/nfs/dbraw/zinc/22/78/54/559227854.db2.gz	HTULTZFUZRYBDZ-BMRADRMJSA-N	1	0	406.573	4.189	50	10		HICARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)CC2)cc1	ZINC000061996996	560568847	/nfs/dbraw/zinc/56/88/47/560568847.db2.gz	FQPQZNXUZPLMNR-MWXBQQNOSA-N	1	0	422.569	4.052	50	10		HICARO
COc1cccc([C@H]2CC(c3ccc(F)cc3)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000065298200	569219249	/nfs/dbraw/zinc/21/92/49/569219249.db2.gz	FTCJWPBBRDWRME-OAQYLSRUSA-N	1	0	411.521	4.264	50	10		HICARO
CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000002397040	569394453	/nfs/dbraw/zinc/39/44/53/569394453.db2.gz	XEACYUJCVJCKSK-QINSGFPZSA-N	1	0	413.406	4.382	50	10		HICARO
COc1ccc(O)c(C[NH+]2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1	ZINC000012430505	845870517	/nfs/dbraw/zinc/87/05/17/845870517.db2.gz	MKXNYTWAETWFAC-UHFFFAOYSA-N	1	0	416.949	4.363	50	10		HICARO
CN1CCCc2cc([C@@H](CNC(=O)CCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137654	132228277	/nfs/dbraw/zinc/22/82/77/132228277.db2.gz	OSLDWRLGDROQOZ-RUZDIDTESA-N	1	0	405.586	4.345	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4[nH]c5ccccc5c4C)C3)CC2)cc1	ZINC000020271015	558352884	/nfs/dbraw/zinc/35/28/84/558352884.db2.gz	XXUYBAVTKIGQBD-QFIPXVFZSA-N	1	0	418.585	4.272	50	10		HICARO
COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O	ZINC000004555305	558724305	/nfs/dbraw/zinc/72/43/05/558724305.db2.gz	CUBNNJHRZZYMMS-KRWDZBQOSA-N	1	0	407.923	4.311	50	10		HICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@H](COc3ccc(Br)cc3Cl)O2)cc1	ZINC000057645763	558889509	/nfs/dbraw/zinc/88/95/09/558889509.db2.gz	SFVAUENTLGIKHT-QAPCUYQASA-N	1	0	411.727	4.235	50	10		HICARO
Oc1c([C@H](c2ccccn2)[NH+]2CCN(c3ccccc3F)CC2)ccc2cccnc21	ZINC000020192735	568593747	/nfs/dbraw/zinc/59/37/47/568593747.db2.gz	JWBZBEGBWBYWNB-XMMPIXPASA-N	1	0	414.484	4.386	50	10		HICARO
CN1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)CC1	ZINC000021486625	568704063	/nfs/dbraw/zinc/70/40/63/568704063.db2.gz	VBMWOSHZIVCIKC-HXUWFJFHSA-N	1	0	401.432	4.296	50	10		HICARO
COc1ccc([C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[NH+](C)C)cc1OC	ZINC000006510047	569062042	/nfs/dbraw/zinc/06/20/42/569062042.db2.gz	XVHZXNMUKXOVBN-JOCHJYFZSA-N	1	0	421.541	4.144	50	10		HICARO
CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007684	569406731	/nfs/dbraw/zinc/40/67/31/569406731.db2.gz	BSQNNCVZLOKKKG-VWLOTQADSA-N	1	0	421.585	4.423	50	10		HICARO
CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)c1O	ZINC000012431554	845870557	/nfs/dbraw/zinc/87/05/57/845870557.db2.gz	YSRIMMJKDIPPNO-IBGZPJMESA-N	1	0	420.513	4.032	50	10		HICARO
COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2cccc(OC)c2O)cc1	ZINC000012713399	845885275	/nfs/dbraw/zinc/88/52/75/845885275.db2.gz	GTABYCWLASNSOK-HXUWFJFHSA-N	1	0	407.514	4.398	50	10		HICARO
Oc1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCN(c2ccccn2)CC1	ZINC000012191094	132356126	/nfs/dbraw/zinc/35/61/26/132356126.db2.gz	VQRPLVYJMNCPJE-UHFFFAOYSA-N	1	0	402.523	4.386	50	10		HICARO
CN1CCCc2cc([C@H](CNC(=O)CCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137659	536397604	/nfs/dbraw/zinc/39/76/04/536397604.db2.gz	OSLDWRLGDROQOZ-VWLOTQADSA-N	1	0	405.586	4.345	50	10		HICARO
COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000019795183	558284291	/nfs/dbraw/zinc/28/42/91/558284291.db2.gz	QBVSDFMGMRUPGN-ISTCRNMPSA-N	1	0	421.585	4.004	50	10		HICARO
COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)ccc1O	ZINC000004903200	559200135	/nfs/dbraw/zinc/20/01/35/559200135.db2.gz	PDNPJICNZWAMBS-HXUWFJFHSA-N	1	0	407.514	4.145	50	10		HICARO
O=C1c2ccccc2-c2onc3c2c1c(NCC[NH+]1CCCC1)cc3N1CCCC1	ZINC000004961914	559217905	/nfs/dbraw/zinc/21/79/05/559217905.db2.gz	YXOUAPPXVXQYPQ-UHFFFAOYSA-N	1	0	402.498	4.147	50	10		HICARO
CC(=O)c1ccc(N2C[C@@](O)(c3ccc(C(C)(C)C)cc3)[N+]3=C2SCCC3)cc1	ZINC000003226873	568847398	/nfs/dbraw/zinc/84/73/98/568847398.db2.gz	NOXJEPOXQQFHJA-XMMPIXPASA-N	1	0	409.575	4.357	50	10		HICARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349258	569033387	/nfs/dbraw/zinc/03/33/87/569033387.db2.gz	NPOVIXRADCMFTO-VWLOTQADSA-N	1	0	417.528	4.421	50	10		HICARO
C[C@@H]1C[C@H](C)C[N@@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006737863	569106338	/nfs/dbraw/zinc/10/63/38/569106338.db2.gz	LBZWGYBTLCKFFV-IYBDPMFKSA-N	1	0	418.541	4.495	50	10		HICARO
CCOc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298452	569219428	/nfs/dbraw/zinc/21/94/28/569219428.db2.gz	YOEAODWBVNUDAT-QFIPXVFZSA-N	1	0	407.558	4.353	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1	ZINC000019789651	569429762	/nfs/dbraw/zinc/42/97/62/569429762.db2.gz	RWWGYYVFDTXYDF-HVULOAKNSA-N	1	0	409.618	4.106	50	10		HICARO
CN(C)c1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCC3)C2)cc1	ZINC000169765233	853658782	/nfs/dbraw/zinc/65/87/82/853658782.db2.gz	ZWMISRYUXIAVAI-JOCHJYFZSA-N	1	0	421.585	4.280	50	10		HICARO
C[NH+]1CCN(c2ccccc2/C=C2\CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1	ZINC000044124223	523927319	/nfs/dbraw/zinc/92/73/19/523927319.db2.gz	VILVQZDPIFCZSB-FBMGVBCBSA-N	1	0	415.459	4.278	50	10		HICARO
CCC[NH+]1CCN(c2cc(NC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006737947	534932416	/nfs/dbraw/zinc/93/24/16/534932416.db2.gz	IPHHJUPLYTVHPM-UHFFFAOYSA-N	1	0	404.514	4.392	50	10		HICARO
O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccc2O)CC1	ZINC000012835941	558478078	/nfs/dbraw/zinc/47/80/78/558478078.db2.gz	DNCFRCGVCLWQHW-UHFFFAOYSA-N	1	0	418.541	4.387	50	10		HICARO
CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000014958571	558683102	/nfs/dbraw/zinc/68/31/02/558683102.db2.gz	FDUFUUKKLHENGO-UHFFFAOYSA-N	1	0	417.933	4.442	50	10		HICARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)CC2)cc1	ZINC000061996995	560568831	/nfs/dbraw/zinc/56/88/31/560568831.db2.gz	FQPQZNXUZPLMNR-HLMLHLEXSA-N	1	0	422.569	4.052	50	10		HICARO
CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c(O)c1	ZINC000057311845	568826719	/nfs/dbraw/zinc/82/67/19/568826719.db2.gz	AGZLWHDSNGYHED-FQEVSTJZSA-N	1	0	414.575	4.495	50	10		HICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@@H](COc3ccc(Br)cc3Cl)O2)cc1	ZINC000057645768	568857079	/nfs/dbraw/zinc/85/70/79/568857079.db2.gz	SFVAUENTLGIKHT-YJBOKZPZSA-N	1	0	411.727	4.235	50	10		HICARO
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=[NH+]N(CO)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000006712217	569097307	/nfs/dbraw/zinc/09/73/07/569097307.db2.gz	WMNMKQZXAYJQET-JNMDKLMCSA-N	1	0	404.558	4.365	50	10		HICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1cccc(OC)c1O)N2	ZINC000065298179	569219179	/nfs/dbraw/zinc/21/91/79/569219179.db2.gz	INZBKAWBSKTSHY-HXUWFJFHSA-N	1	0	413.949	4.390	50	10		HICARO
CCCCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008963231	571190040	/nfs/dbraw/zinc/19/00/40/571190040.db2.gz	LNUSVBBZBOPLCJ-VWLOTQADSA-N	1	0	421.585	4.425	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3ccc(O)cc3)C[C@@H]21	ZINC000010214590	571296985	/nfs/dbraw/zinc/29/69/85/571296985.db2.gz	PWJKIAOTSYUMTQ-NRFANRHFSA-N	1	0	407.514	4.145	50	10		HICARO
O=C1N=C(N2CC[N@@H+]3CCC[C@@H]3C2)S/C1=C\c1ccc(OCc2ccccc2)cc1	ZINC000071782819	571300804	/nfs/dbraw/zinc/30/08/04/571300804.db2.gz	LZSNSASNUUTPQZ-AREJXAQWSA-N	1	0	419.550	4.016	50	10		HICARO
COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137738	536998198	/nfs/dbraw/zinc/99/81/98/536998198.db2.gz	ZZUBCNCFCVGQHS-QHCPKHFHSA-N	1	0	407.558	4.035	50	10		HICARO
CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000004177198	557525032	/nfs/dbraw/zinc/52/50/32/557525032.db2.gz	XVZSPOWKXDBZIS-QGZVFWFLSA-N	1	0	417.347	4.025	50	10		HICARO
CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000004177203	557525166	/nfs/dbraw/zinc/52/51/66/557525166.db2.gz	XVZSPOWKXDBZIS-KRWDZBQOSA-N	1	0	417.347	4.025	50	10		HICARO
COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cccn1	ZINC000011874531	558292209	/nfs/dbraw/zinc/29/22/09/558292209.db2.gz	PHKRWJYRKKODHT-GOSISDBHSA-N	1	0	401.514	4.285	50	10		HICARO
COc1cccc(-n2c(SC)nnc2C2CC[NH+](Cc3ccccc3O)CC2)c1	ZINC000012024652	558309903	/nfs/dbraw/zinc/30/99/03/558309903.db2.gz	CIZFUAZDXQULMZ-UHFFFAOYSA-N	1	0	410.543	4.083	50	10		HICARO
COc1cccc(O)c1C[NH+]1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1	ZINC000012590879	558435720	/nfs/dbraw/zinc/43/57/20/558435720.db2.gz	KOCLSXVAYWZCLS-UHFFFAOYSA-N	1	0	416.949	4.363	50	10		HICARO
COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c1O	ZINC000004555306	558724348	/nfs/dbraw/zinc/72/43/48/558724348.db2.gz	CUBNNJHRZZYMMS-QGZVFWFLSA-N	1	0	407.923	4.311	50	10		HICARO
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298323	569219253	/nfs/dbraw/zinc/21/92/53/569219253.db2.gz	USJWPWLXXQGWSG-JOCHJYFZSA-N	1	0	407.558	4.435	50	10		HICARO
CCOc1ccc(C2=NC3(CC[NH+](CC)CC3)N[C@H](c3cccc(OC)c3O)C2)cc1	ZINC000065298245	569219272	/nfs/dbraw/zinc/21/92/72/569219272.db2.gz	PBWSJOFBORUKIU-QFIPXVFZSA-N	1	0	423.557	4.135	50	10		HICARO
CCOc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298355	569219288	/nfs/dbraw/zinc/21/92/88/569219288.db2.gz	OBNAXDNRJLOAEE-FQEVSTJZSA-N	1	0	413.949	4.390	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000016838204	569264075	/nfs/dbraw/zinc/26/40/75/569264075.db2.gz	BCGQVPMNFLHPCF-QHCPKHFHSA-N	1	0	407.558	4.035	50	10		HICARO
CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007682	569406687	/nfs/dbraw/zinc/40/66/87/569406687.db2.gz	BSQNNCVZLOKKKG-RUZDIDTESA-N	1	0	421.585	4.423	50	10		HICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2O)N3)C1	ZINC000008927629	571160155	/nfs/dbraw/zinc/16/01/55/571160155.db2.gz	FUWOKHNVSJZXKJ-INIZCTEOSA-N	1	0	422.348	4.332	50	10		HICARO
COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccccc2O)C3)cc1OC	ZINC000014885016	845989204	/nfs/dbraw/zinc/98/92/04/845989204.db2.gz	YZUXRGDOLARUOF-UHFFFAOYSA-N	1	0	421.493	4.480	50	10		HICARO
COc1ccccc1N=Nc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1C	ZINC000254509786	854211822	/nfs/dbraw/zinc/21/18/22/854211822.db2.gz	NIEUMAJZELGAQF-UHFFFAOYSA-N	1	0	423.502	4.104	50	10		HICARO
CN1CCCc2cc([C@H](CNC(=O)c3c(F)cccc3F)[NH+]3CCCCC3)ccc21	ZINC000009137426	536397688	/nfs/dbraw/zinc/39/76/88/536397688.db2.gz	XLHNSJBSIZAYCH-QFIPXVFZSA-N	1	0	413.512	4.304	50	10		HICARO
COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cccn1	ZINC000011874532	558292238	/nfs/dbraw/zinc/29/22/38/558292238.db2.gz	PHKRWJYRKKODHT-SFHVURJKSA-N	1	0	401.514	4.285	50	10		HICARO
COCc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC	ZINC000012200959	558351319	/nfs/dbraw/zinc/35/13/19/558351319.db2.gz	FDHJZFNMLYGOOZ-AWEZNQCLSA-N	1	0	401.457	4.465	50	10		HICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)cc1	ZINC000022851579	558516818	/nfs/dbraw/zinc/51/68/18/558516818.db2.gz	CTSAWNAZQBOORC-OAQYLSRUSA-N	1	0	417.956	4.274	50	10		HICARO
Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2nccs2)CC1	ZINC000014227520	558638963	/nfs/dbraw/zinc/63/89/63/558638963.db2.gz	IDYDGWIFEXJPSG-UHFFFAOYSA-N	1	0	404.333	4.087	50	10		HICARO
Oc1ccc2ccncc2c1C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000027492490	558673531	/nfs/dbraw/zinc/67/35/31/558673531.db2.gz	BZDXZNUYJWNUEA-UHFFFAOYSA-N	1	0	422.838	4.330	50	10		HICARO
COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)c2c1	ZINC000016876561	558808769	/nfs/dbraw/zinc/80/87/69/558808769.db2.gz	UGUBAWMVYQTSKO-UHFFFAOYSA-N	1	0	404.510	4.082	50	10		HICARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000055244755	558877265	/nfs/dbraw/zinc/87/72/65/558877265.db2.gz	CVSIOCQRIHSBEV-UHFFFAOYSA-N	1	0	406.457	4.249	50	10		HICARO
O=c1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c2cc(O)c(O)cc2o1	ZINC000095466764	568624302	/nfs/dbraw/zinc/62/43/02/568624302.db2.gz	JARCLXHEVKXKEJ-HXUWFJFHSA-N	1	0	423.490	4.002	50	10		HICARO
CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3Cl)[NH+]3CCCCC3)ccc21	ZINC000013007727	569406623	/nfs/dbraw/zinc/40/66/23/569406623.db2.gz	QGZGDWWGQKPRGO-NRFANRHFSA-N	1	0	415.940	4.428	50	10		HICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000013008163	569406830	/nfs/dbraw/zinc/40/68/30/569406830.db2.gz	WNXGZWYKXSHOOQ-FQEVSTJZSA-N	1	0	405.464	4.121	50	10		HICARO
COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)ccc1O	ZINC000010214245	571296834	/nfs/dbraw/zinc/29/68/34/571296834.db2.gz	RPCSFYKPHOSCBI-GOSISDBHSA-N	1	0	413.905	4.020	50	10		HICARO
CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000055090038	849968187	/nfs/dbraw/zinc/96/81/87/849968187.db2.gz	BUFVIFVPLNFVLS-FQEVSTJZSA-N	1	0	400.538	4.317	50	10		HICARO
O=C(c1ccc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1)N1CCCC1	ZINC000012747579	558458416	/nfs/dbraw/zinc/45/84/16/558458416.db2.gz	QUVDYVWUTKVIMT-UHFFFAOYSA-N	1	0	414.933	4.325	50	10		HICARO
CN(C)c1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1	ZINC000014981315	558691720	/nfs/dbraw/zinc/69/17/20/558691720.db2.gz	BLVXUJDFFNVLEV-UHFFFAOYSA-N	1	0	405.464	4.006	50	10		HICARO
O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(C(F)(F)F)c1	ZINC000058014395	558895273	/nfs/dbraw/zinc/89/52/73/558895273.db2.gz	HXGLIZDJXJJGNB-UHFFFAOYSA-N	1	0	403.448	4.490	50	10		HICARO
Cc1cc(O)c(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C	ZINC000023270848	559078023	/nfs/dbraw/zinc/07/80/23/559078023.db2.gz	FKBSXFSKHSAHRO-UHFFFAOYSA-N	1	0	412.921	4.030	50	10		HICARO
Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1	ZINC000020114379	568589106	/nfs/dbraw/zinc/58/91/06/568589106.db2.gz	GRCVUNIBNYGVJQ-DHZHZOJOSA-N	1	0	400.526	4.255	50	10		HICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1cccc(OC)c1O)N2	ZINC000065298306	569219200	/nfs/dbraw/zinc/21/92/00/569219200.db2.gz	PSWZHFZMWNSDGC-QFIPXVFZSA-N	1	0	407.558	4.353	50	10		HICARO
Cc1ccc(C2=NC3(CC[NH2+]CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298096	569219219	/nfs/dbraw/zinc/21/92/19/569219219.db2.gz	KJXXSMZLHVJQSD-IBGZPJMESA-N	1	0	414.347	4.067	50	10		HICARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc3c(cc1O)OCO3)CC2	ZINC000007141724	569226221	/nfs/dbraw/zinc/22/62/21/569226221.db2.gz	QQRFBWMKJHUEBE-VWLOTQADSA-N	1	0	419.477	4.286	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21	ZINC000010214517	571296899	/nfs/dbraw/zinc/29/68/99/571296899.db2.gz	CVLBIXVJPDBDFO-NRFANRHFSA-N	1	0	421.541	4.453	50	10		HICARO
CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1CCCN(CCc2cccc(F)c2)C1	ZINC000055090042	849967833	/nfs/dbraw/zinc/96/78/33/849967833.db2.gz	BUFVIFVPLNFVLS-HXUWFJFHSA-N	1	0	400.538	4.317	50	10		HICARO
CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000004434967	558558332	/nfs/dbraw/zinc/55/83/32/558558332.db2.gz	TXRXLZUBBHDPGZ-UHFFFAOYSA-N	1	0	410.558	4.442	50	10		HICARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1	ZINC000015946329	558763432	/nfs/dbraw/zinc/76/34/32/558763432.db2.gz	KPFZHCRSYUKOSP-MRXNPFEDSA-N	1	0	422.348	4.412	50	10		HICARO
CCc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000055327443	558879385	/nfs/dbraw/zinc/87/93/85/558879385.db2.gz	HNTABNUXEVQFKS-QFIPXVFZSA-N	1	0	422.573	4.076	50	10		HICARO
CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097693	559245231	/nfs/dbraw/zinc/24/52/31/559245231.db2.gz	RFDRPGQJGRCGER-JOCHJYFZSA-N	1	0	405.542	4.337	50	10		HICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1	ZINC000057646733	568857121	/nfs/dbraw/zinc/85/71/21/568857121.db2.gz	JMXLDEDCVSHXAT-KXBFYZLASA-N	1	0	412.584	4.025	50	10		HICARO
CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349256	569033369	/nfs/dbraw/zinc/03/33/69/569033369.db2.gz	DLRAVCGCUPTEEQ-VWLOTQADSA-N	1	0	417.528	4.421	50	10		HICARO
CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007771	569406616	/nfs/dbraw/zinc/40/66/16/569406616.db2.gz	JFGDCOZPGSUMMF-XMMPIXPASA-N	1	0	407.558	4.035	50	10		HICARO
COc1cccc(C[NH2+]CC2(N(C)Cc3ccccc3)Cc3ccccc3C2)c1O	ZINC000019789826	569429827	/nfs/dbraw/zinc/42/98/27/569429827.db2.gz	BNGHJNHOWJYGBH-UHFFFAOYSA-N	1	0	402.538	4.160	50	10		HICARO
CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21	ZINC000010214520	571296848	/nfs/dbraw/zinc/29/68/48/571296848.db2.gz	HQYDBTZHTWQEJY-HXUWFJFHSA-N	1	0	407.514	4.065	50	10		HICARO
CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214501	571296852	/nfs/dbraw/zinc/29/68/52/571296852.db2.gz	UTWWQEARKRCPHO-HXUWFJFHSA-N	1	0	407.514	4.065	50	10		HICARO
C[C@H]1CCCN(c2cc(NCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000004961913	132296911	/nfs/dbraw/zinc/29/69/11/132296911.db2.gz	INQVVNGVYBAURN-HNNXBMFYSA-N	1	0	404.514	4.249	50	10		HICARO
Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1cccc(F)c1	ZINC000011821207	132351176	/nfs/dbraw/zinc/35/11/76/132351176.db2.gz	UOLDXCKRPKJRAE-MRXNPFEDSA-N	1	0	422.504	4.368	50	10		HICARO
CC(C)c1ccc2c(c1)[C@@H]([NH+]1CCN(CCO)CC1)Cc1ccc(F)cc1S2	ZINC000022459330	558490487	/nfs/dbraw/zinc/49/04/87/558490487.db2.gz	XDBMBHVYXPBOPL-NRFANRHFSA-N	1	0	400.563	4.307	50	10		HICARO
Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3O)cc2)n1	ZINC000019148121	558847084	/nfs/dbraw/zinc/84/70/84/558847084.db2.gz	AUUWLCTZOLMQKO-QFIPXVFZSA-N	1	0	404.514	4.188	50	10		HICARO
CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)cc1	ZINC000005098059	568453964	/nfs/dbraw/zinc/45/39/64/568453964.db2.gz	FOMKRRBOEZOTSW-VWLOTQADSA-N	1	0	401.554	4.402	50	10		HICARO
C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(Br)ccc1O	ZINC000095469449	568625615	/nfs/dbraw/zinc/62/56/15/568625615.db2.gz	YTNCMMNDPHJNIA-AWEZNQCLSA-N	1	0	403.320	4.128	50	10		HICARO
CC1(C)CC([NH2+]Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)CC(C)(C)[NH2+]1	ZINC000006759617	569113060	/nfs/dbraw/zinc/11/30/60/569113060.db2.gz	LGIIVGOPWLOAHP-UHFFFAOYSA-N	1	0	418.965	4.430	50	10		HICARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838238	569264086	/nfs/dbraw/zinc/26/40/86/569264086.db2.gz	JCFYDZXCEXPKDD-DEOSSOPVSA-N	1	0	407.558	4.035	50	10		HICARO
COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1N=C(c3cc(C)ccc3O)C[C@H]21	ZINC000010214519	571296829	/nfs/dbraw/zinc/29/68/29/571296829.db2.gz	CVLBIXVJPDBDFO-OAQYLSRUSA-N	1	0	421.541	4.453	50	10		HICARO
C[C@@H]1CCCN(c2cc(NCC[NH+](C)C)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000004961912	132296960	/nfs/dbraw/zinc/29/69/60/132296960.db2.gz	INQVVNGVYBAURN-OAHLLOKOSA-N	1	0	404.514	4.249	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137388	132336413	/nfs/dbraw/zinc/33/64/13/132336413.db2.gz	IBTIWSHBRQQDJE-DEOSSOPVSA-N	1	0	421.585	4.425	50	10		HICARO
Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137968	132336517	/nfs/dbraw/zinc/33/65/17/132336517.db2.gz	FUSFZQLUFMNMKJ-VWLOTQADSA-N	1	0	421.585	4.100	50	10		HICARO
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=[NH+]N(CO)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000020215622	558348094	/nfs/dbraw/zinc/34/80/94/558348094.db2.gz	WMNMKQZXAYJQET-NRLPKAJVSA-N	1	0	404.558	4.365	50	10		HICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(Cl)c(F)c4)C3)CC2)cc1	ZINC000020234238	558350421	/nfs/dbraw/zinc/35/04/21/558350421.db2.gz	DBSDWFUDLSPVHF-HXUWFJFHSA-N	1	0	417.956	4.274	50	10		HICARO
Oc1c([C@H](c2cccs2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21	ZINC000013060044	558509713	/nfs/dbraw/zinc/50/97/13/558509713.db2.gz	UUDVBJQQIBBGAH-JOCHJYFZSA-N	1	0	402.523	4.309	50	10		HICARO
COc1cccc(-c2ccc(O)c(C[NH+]3CCN(c4ccccc4Cl)CC3)c2)n1	ZINC000014980436	558691155	/nfs/dbraw/zinc/69/11/55/558691155.db2.gz	JFWDGDXPNFQEBH-UHFFFAOYSA-N	1	0	409.917	4.438	50	10		HICARO
CCc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000055327447	558879269	/nfs/dbraw/zinc/87/92/69/558879269.db2.gz	HNTABNUXEVQFKS-JOCHJYFZSA-N	1	0	422.573	4.076	50	10		HICARO
CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097692	559245160	/nfs/dbraw/zinc/24/51/60/559245160.db2.gz	RFDRPGQJGRCGER-QFIPXVFZSA-N	1	0	405.542	4.337	50	10		HICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@@H](COc3ccc(Br)cc3Cl)O2)cc1	ZINC000057645765	568857064	/nfs/dbraw/zinc/85/70/64/568857064.db2.gz	SFVAUENTLGIKHT-MAUKXSAKSA-N	1	0	411.727	4.235	50	10		HICARO
CNC(=O)c1ccc(C[N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)cc1	ZINC000008188501	568980850	/nfs/dbraw/zinc/98/08/50/568980850.db2.gz	BELJROPUZNRLSW-UHFFFAOYSA-N	1	0	413.315	4.300	50	10		HICARO
CCOc1cccc([C@H]2CC(c3cccc(OC)c3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298404	569219316	/nfs/dbraw/zinc/21/93/16/569219316.db2.gz	DUYJJQYZKSHRJD-JOCHJYFZSA-N	1	0	423.557	4.135	50	10		HICARO
CCOc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298454	569219332	/nfs/dbraw/zinc/21/93/32/569219332.db2.gz	YOEAODWBVNUDAT-JOCHJYFZSA-N	1	0	407.558	4.353	50	10		HICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3C(F)(F)F)[NH+]3CCCC3)ccc21	ZINC000008963285	571190310	/nfs/dbraw/zinc/19/03/10/571190310.db2.gz	RIENEXVEZZKSRK-OAQYLSRUSA-N	1	0	417.475	4.265	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010214469	571296805	/nfs/dbraw/zinc/29/68/05/571296805.db2.gz	IIYGJTLOFKHISU-FQEVSTJZSA-N	1	0	407.514	4.146	50	10		HICARO
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)ccc1O	ZINC000010214242	571296874	/nfs/dbraw/zinc/29/68/74/571296874.db2.gz	RPCSFYKPHOSCBI-SFHVURJKSA-N	1	0	413.905	4.020	50	10		HICARO
CCC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214586	571296973	/nfs/dbraw/zinc/29/69/73/571296973.db2.gz	HVRSPGFUPRUUFG-NRFANRHFSA-N	1	0	407.514	4.146	50	10		HICARO
O=C1N=C(N2CC[N@@H+]3CCC[C@H]3C2)S/C1=C\c1ccc(OCc2ccccc2)cc1	ZINC000071782820	571300855	/nfs/dbraw/zinc/30/08/55/571300855.db2.gz	LZSNSASNUUTPQZ-AHFVYKFHSA-N	1	0	419.550	4.016	50	10		HICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cc5ccccc5o4)C3)CC2)cc1	ZINC000019842308	846373525	/nfs/dbraw/zinc/37/35/25/846373525.db2.gz	GFEFCLVDRRCTEK-QFIPXVFZSA-N	1	0	405.542	4.228	50	10		HICARO
Oc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000020452017	846384591	/nfs/dbraw/zinc/38/45/91/846384591.db2.gz	LOECPXOQLVGOJD-UHFFFAOYSA-N	1	0	414.431	4.190	50	10		HICARO
CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(N2CCCCC2)cc1	ZINC000012554105	132363425	/nfs/dbraw/zinc/36/34/25/132363425.db2.gz	CFLBQIMKANLRSA-UHFFFAOYSA-N	1	0	420.601	4.343	50	10		HICARO
Oc1ccccc1N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1	ZINC000012787131	132367315	/nfs/dbraw/zinc/36/73/15/132367315.db2.gz	JBUWPYUYQBWKFB-UHFFFAOYSA-N	1	0	413.315	4.336	50	10		HICARO
CCCOCc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c2ncccc12	ZINC000006804065	535235790	/nfs/dbraw/zinc/23/57/90/535235790.db2.gz	BCDMSRNGQMSMER-UHFFFAOYSA-N	1	0	421.541	4.198	50	10		HICARO
Oc1ccc(-c2ccccn2)cc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000020211508	558347877	/nfs/dbraw/zinc/34/78/77/558347877.db2.gz	BPCSEGHMSYZUQR-UHFFFAOYSA-N	1	0	403.570	4.397	50	10		HICARO
Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)oc1ccccc12	ZINC000025763966	558649147	/nfs/dbraw/zinc/64/91/47/558649147.db2.gz	VNFIQRXOVOTJRE-UHFFFAOYSA-N	1	0	416.477	4.338	50	10		HICARO
Oc1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc2cccnc21	ZINC000020192733	568593540	/nfs/dbraw/zinc/59/35/40/568593540.db2.gz	FZCNGNCIVMTVKL-DEOSSOPVSA-N	1	0	414.484	4.386	50	10		HICARO
CCN(CC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)c(O)c1	ZINC000057311848	568826677	/nfs/dbraw/zinc/82/66/77/568826677.db2.gz	AGZLWHDSNGYHED-HXUWFJFHSA-N	1	0	414.575	4.495	50	10		HICARO
CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013007686	569406660	/nfs/dbraw/zinc/40/66/60/569406660.db2.gz	ZZVMVJRZRKRNCZ-HSZRJFAPSA-N	1	0	407.558	4.035	50	10		HICARO
CC[NH+]1CCN(Cc2c3c(ccc2O)oc(C)c3C(=O)Nc2ccc(C)cc2)CC1	ZINC000019794032	569430000	/nfs/dbraw/zinc/43/00/00/569430000.db2.gz	AMIUWHMYRZHTKW-UHFFFAOYSA-N	1	0	407.514	4.145	50	10		HICARO