smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005098847	204111249	/nfs/dbraw/zinc/11/12/49/204111249.db2.gz	LHNBXBXICXAZPR-IBGZPJMESA-N	1	0	377.510	2.342	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)[NH+](C)C)cc1	ZINC000005340484	570701573	/nfs/dbraw/zinc/70/15/73/570701573.db2.gz	IXVNACDFTKIYLX-SFHVURJKSA-N	1	0	390.434	2.388	50	10		GECARO
CN(C)c1ccc(CNC(=O)NCc2ccccc2CN2CC[NH+](C)CC2)cc1	ZINC000032937686	570953154	/nfs/dbraw/zinc/95/31/54/570953154.db2.gz	RLACTBBAGGUPFV-UHFFFAOYSA-N	1	0	395.551	2.499	50	10		GECARO
CCc1nc2nc(C)cc(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)n2n1	ZINC000006786404	204206164	/nfs/dbraw/zinc/20/61/64/204206164.db2.gz	AHXITOYAQPKUDW-UHFFFAOYSA-N	1	0	395.511	2.238	50	10		GECARO
COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1O	ZINC000012047745	204369174	/nfs/dbraw/zinc/36/91/74/204369174.db2.gz	RJYYZHNSGOWQEE-QGZVFWFLSA-N	1	0	399.495	2.456	50	10		GECARO
C[N@H+](CCn1cnc2ccsc2c1=O)Cc1ccc(N2CCOCC2)cc1	ZINC000095962686	136182911	/nfs/dbraw/zinc/18/29/11/136182911.db2.gz	NZJUHWRPMPQYFA-UHFFFAOYSA-N	1	0	384.505	2.427	50	10		GECARO
CC(C)N1CC[N@@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1CCO	ZINC000022851236	570330876	/nfs/dbraw/zinc/33/08/76/570330876.db2.gz	PZXGJDCODOHOAK-IBGZPJMESA-N	1	0	375.513	2.161	50	10		GECARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1	ZINC000012079140	204370071	/nfs/dbraw/zinc/37/00/71/204370071.db2.gz	IUXQDKIEIASSSG-QGZVFWFLSA-N	1	0	399.495	2.456	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1	ZINC000010188276	522241432	/nfs/dbraw/zinc/24/14/32/522241432.db2.gz	IRXJUAUQQCKKNM-HXUWFJFHSA-N	1	0	386.540	2.455	50	10		GECARO
COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)c(O)c1	ZINC000014533652	570848188	/nfs/dbraw/zinc/84/81/88/570848188.db2.gz	SJFIQXXQLNBHGR-UHFFFAOYSA-N	1	0	375.469	2.285	50	10		GECARO
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC[NH+](C)C)cc1	ZINC000023199948	570966258	/nfs/dbraw/zinc/96/62/58/570966258.db2.gz	KFRIYRHTSZAUKK-CAPFRKAQSA-N	1	0	380.492	2.201	50	10		GECARO
COc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F	ZINC000067604699	205250540	/nfs/dbraw/zinc/25/05/40/205250540.db2.gz	YQKKCEGOZMKGBJ-UHFFFAOYSA-N	1	0	393.484	2.065	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000005340568	205767469	/nfs/dbraw/zinc/76/74/69/205767469.db2.gz	FQXDHMBPEMONEC-SFHVURJKSA-N	1	0	399.451	2.018	50	10		GECARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](CC(=O)N(C)C(C)C)C3)CC2)cc1	ZINC000072171453	136167552	/nfs/dbraw/zinc/16/75/52/136167552.db2.gz	WRHIDDKNGIQZNT-FQEVSTJZSA-N	1	0	388.556	2.148	50	10		GECARO
COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)N4CCOCC4)CC3)c2c1	ZINC000012914223	570292008	/nfs/dbraw/zinc/29/20/08/570292008.db2.gz	RRHSSLRXSOUTPP-UHFFFAOYSA-N	1	0	385.464	2.124	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)[NH+]2CCCC2)cc1	ZINC000005340595	570557760	/nfs/dbraw/zinc/55/77/60/570557760.db2.gz	QIKQQOUXDRLBRA-OAQYLSRUSA-N	1	0	394.519	2.322	50	10		GECARO
COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(OC)c1OC	ZINC000049740635	570665200	/nfs/dbraw/zinc/66/52/00/570665200.db2.gz	PMJWKXWXTHYOGL-UHFFFAOYSA-N	1	0	399.491	2.394	50	10		GECARO
CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009138429	204299537	/nfs/dbraw/zinc/29/95/37/204299537.db2.gz	QTNVEBOVNRIAQB-FQEVSTJZSA-N	1	0	386.540	2.237	50	10		GECARO
COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(O)c1	ZINC000011881591	204360980	/nfs/dbraw/zinc/36/09/80/204360980.db2.gz	NNVHJQAHOMSYHP-KRWDZBQOSA-N	1	0	399.495	2.456	50	10		GECARO
COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022589236	204784072	/nfs/dbraw/zinc/78/40/72/204784072.db2.gz	HBPZREQOMIJHMA-OAQYLSRUSA-N	1	0	396.535	2.480	50	10		GECARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)C4(O)CCCC4)C3)CC2)cc1	ZINC000072171344	136167475	/nfs/dbraw/zinc/16/74/75/136167475.db2.gz	XCFZUSHKCRXBLT-LJQANCHMSA-N	1	0	387.524	2.113	50	10		GECARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)[NH+](C)C)ccc21	ZINC000013008685	536124186	/nfs/dbraw/zinc/12/41/86/536124186.db2.gz	FRWUYKZQXGHCJB-FQEVSTJZSA-N	1	0	380.492	2.427	50	10		GECARO
O=c1cc(CN2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)nc2sccn21	ZINC000022790117	570327887	/nfs/dbraw/zinc/32/78/87/570327887.db2.gz	QZQFKMMKYOMZRA-UHFFFAOYSA-N	1	0	396.516	2.268	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+](C)C)cc1	ZINC000005340334	570557171	/nfs/dbraw/zinc/55/71/71/570557171.db2.gz	NOAUNWJTKASQKH-HXUWFJFHSA-N	1	0	386.540	2.478	50	10		GECARO
COc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C	ZINC000049740697	570665124	/nfs/dbraw/zinc/66/51/24/570665124.db2.gz	MBVKNRHNVYUHAW-UHFFFAOYSA-N	1	0	389.521	2.234	50	10		GECARO
COc1ccc(N2CCN(c3cc(N4CC[NH2+]CC4)ccc3[N+](=O)[O-])CC2)cc1	ZINC000004143429	204028627	/nfs/dbraw/zinc/02/86/27/204028627.db2.gz	IDNYMKFSVHQMAI-UHFFFAOYSA-N	1	0	397.479	2.340	50	10		GECARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F	ZINC000005098856	204111451	/nfs/dbraw/zinc/11/14/51/204111451.db2.gz	ICGWEMWMXLVONO-SFHVURJKSA-N	1	0	395.500	2.482	50	10		GECARO
COc1cccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)c1	ZINC000019839953	570224032	/nfs/dbraw/zinc/22/40/32/570224032.db2.gz	RJJSBCMKOWOYIK-IBGZPJMESA-N	1	0	386.492	2.478	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1	ZINC000005340515	570557035	/nfs/dbraw/zinc/55/70/35/570557035.db2.gz	MBJIOMQZBNOOLL-SFHVURJKSA-N	1	0	399.451	2.018	50	10		GECARO
C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1	ZINC000012091153	570607743	/nfs/dbraw/zinc/60/77/43/570607743.db2.gz	XSPDZYDTGSKQBD-MRXNPFEDSA-N	1	0	391.562	2.012	50	10		GECARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)CC2)cc1	ZINC000053654591	570675493	/nfs/dbraw/zinc/67/54/93/570675493.db2.gz	KZICCXRTLBNJHV-ZTJJKMQJSA-N	1	0	395.507	2.245	50	10		GECARO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ncccc1OCC(F)F	ZINC000170676645	571008529	/nfs/dbraw/zinc/00/85/29/571008529.db2.gz	VAMOBWAFENDCDN-UHFFFAOYSA-N	1	0	394.397	2.204	50	10		GECARO
COc1ccc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2(C)C)cc1	ZINC000218355895	136203731	/nfs/dbraw/zinc/20/37/31/136203731.db2.gz	FUCZPLTXDHLMTP-UHFFFAOYSA-N	1	0	382.512	2.377	50	10		GECARO
COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3Cc4ccccc4O3)CC2)cc1	ZINC000032764309	570801538	/nfs/dbraw/zinc/80/15/38/570801538.db2.gz	MBOITBGGPHMXAE-JOCHJYFZSA-N	1	0	395.503	2.327	50	10		GECARO
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCN1CC[NH2+]CC1	ZINC000100163481	205605451	/nfs/dbraw/zinc/60/54/51/205605451.db2.gz	WISCCSLECACMKX-CCEZHUSRSA-N	1	0	398.536	2.178	50	10		GECARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c1	ZINC000012125877	221155545	/nfs/dbraw/zinc/15/55/45/221155545.db2.gz	NPZUQKIHPQXRIO-INIZCTEOSA-N	1	0	387.484	2.215	50	10		GECARO
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000238162922	526681014	/nfs/dbraw/zinc/68/10/14/526681014.db2.gz	RYWRAYMHBRCGRO-MNEFBYGVSA-N	1	0	375.488	2.324	50	10		GECARO
CC(C)CCNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000034678259	570294415	/nfs/dbraw/zinc/29/44/15/570294415.db2.gz	MSTWVILITBFZAF-UHFFFAOYSA-N	1	0	386.496	2.474	50	10		GECARO
C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1	ZINC000004330461	570908482	/nfs/dbraw/zinc/90/84/82/570908482.db2.gz	JMJWPDGFZQQNNH-UZLBHIALSA-N	1	0	382.508	2.349	50	10		GECARO
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1	ZINC000022589242	207256070	/nfs/dbraw/zinc/25/60/70/207256070.db2.gz	KZBWWZVBOCASLB-QFIPXVFZSA-N	1	0	396.535	2.480	50	10		GECARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)[NH+](C)C)ccc21	ZINC000013008553	136200666	/nfs/dbraw/zinc/20/06/66/136200666.db2.gz	ITOIXPDMWCEZGR-FQEVSTJZSA-N	1	0	386.540	2.237	50	10		GECARO
COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005340494	570557045	/nfs/dbraw/zinc/55/70/45/570557045.db2.gz	OBVNTYWIGRAGAK-LJQANCHMSA-N	1	0	384.480	2.119	50	10		GECARO
COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1	ZINC000032764308	570801521	/nfs/dbraw/zinc/80/15/21/570801521.db2.gz	MBOITBGGPHMXAE-QFIPXVFZSA-N	1	0	395.503	2.327	50	10		GECARO
C[NH+](C)CCNC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	ZINC000008990882	531547217	/nfs/dbraw/zinc/54/72/17/531547217.db2.gz	NTHTZNWWRBCTCW-UKTHLTGXSA-N	1	0	383.926	2.219	50	10		GECARO
C[NH+](C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	ZINC000019996448	207173501	/nfs/dbraw/zinc/17/35/01/207173501.db2.gz	RYOGNPIZHXOZMM-UHFFFAOYSA-N	1	0	394.500	2.386	50	10		GECARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)[NH+]3CCCC3)ccc21	ZINC000009135486	221071743	/nfs/dbraw/zinc/07/17/43/221071743.db2.gz	IRYOSVIGUBXFMN-OAQYLSRUSA-N	1	0	398.551	2.381	50	10		GECARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)[NH+](C)C)ccc21	ZINC000013008686	136200814	/nfs/dbraw/zinc/20/08/14/136200814.db2.gz	FRWUYKZQXGHCJB-HXUWFJFHSA-N	1	0	380.492	2.427	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)[NH+]2CCCC2)cc1	ZINC000010188277	522248326	/nfs/dbraw/zinc/24/83/26/522248326.db2.gz	IRXJUAUQQCKKNM-FQEVSTJZSA-N	1	0	386.540	2.455	50	10		GECARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)[NH+](C)C)ccc21	ZINC000013008511	536123640	/nfs/dbraw/zinc/12/36/40/536123640.db2.gz	QTKFIQJZHFSDLI-NRFANRHFSA-N	1	0	394.519	2.104	50	10		GECARO
COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005098858	570416201	/nfs/dbraw/zinc/41/62/01/570416201.db2.gz	QKWCMAIVBXBORH-KRWDZBQOSA-N	1	0	395.500	2.482	50	10		GECARO
CC[NH+](CC)CCNC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000001809792	570426504	/nfs/dbraw/zinc/42/65/04/570426504.db2.gz	HQMJYRGBZWDBQR-VKAVYKQESA-N	1	0	380.448	2.238	50	10		GECARO
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1O)CC2	ZINC000011995424	570597479	/nfs/dbraw/zinc/59/74/79/570597479.db2.gz	BZZMYRUQVPITOA-CQSZACIVSA-N	1	0	381.436	2.126	50	10		GECARO
COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1Cn1cccn1	ZINC000012836994	570723595	/nfs/dbraw/zinc/72/35/95/570723595.db2.gz	PFYKAUJGFPXWOR-IBGZPJMESA-N	1	0	378.480	2.489	50	10		GECARO
COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1	ZINC000065256993	570755701	/nfs/dbraw/zinc/75/57/01/570755701.db2.gz	OBCQKCYDWGDYFD-QGZVFWFLSA-N	1	0	382.464	2.057	50	10		GECARO
CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005340582	570557081	/nfs/dbraw/zinc/55/70/81/570557081.db2.gz	HBZKJTLQZNUPQH-FQEVSTJZSA-N	1	0	397.523	2.176	50	10		GECARO
COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000004330393	570573448	/nfs/dbraw/zinc/57/34/48/570573448.db2.gz	KZEFMNVBMFIVBH-GOSISDBHSA-N	1	0	384.480	2.119	50	10		GECARO
COC(=O)c1cn(-c2ccc(O)c(C[NH+]3CCCCC3)c2)cc2c(=O)[nH]nc1-2	ZINC000253402459	209039941	/nfs/dbraw/zinc/03/99/41/209039941.db2.gz	GKFYGWJMTAZJGB-UHFFFAOYSA-N	1	0	382.420	2.144	50	10		GECARO
CC(C)N1CC[N@@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1CCO	ZINC000104625212	535196551	/nfs/dbraw/zinc/19/65/51/535196551.db2.gz	PZXGJDCODOHOAK-LJQANCHMSA-N	1	0	375.513	2.161	50	10		GECARO
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC[NH+](C)C)cc1	ZINC000002678694	570294776	/nfs/dbraw/zinc/29/47/76/570294776.db2.gz	KFRIYRHTSZAUKK-SILNSSARSA-N	1	0	380.492	2.201	50	10		GECARO
CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005340579	570556936	/nfs/dbraw/zinc/55/69/36/570556936.db2.gz	HBZKJTLQZNUPQH-HXUWFJFHSA-N	1	0	397.523	2.176	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1	ZINC000005340573	570557161	/nfs/dbraw/zinc/55/71/61/570557161.db2.gz	LQKJEUJPKWXWBQ-GOSISDBHSA-N	1	0	399.451	2.018	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)[NH+]2CCCC2)cc1	ZINC000005340608	570557536	/nfs/dbraw/zinc/55/75/36/570557536.db2.gz	QIKQQOUXDRLBRA-NRFANRHFSA-N	1	0	394.519	2.322	50	10		GECARO
C[NH+](C)CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S	ZINC000009048001	531547429	/nfs/dbraw/zinc/54/74/29/531547429.db2.gz	ZAEWMSHIXQOIID-UKTHLTGXSA-N	1	0	383.926	2.219	50	10		GECARO
COc1cc(CN2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)cc(OC)c1	ZINC000019792524	207161054	/nfs/dbraw/zinc/16/10/54/207161054.db2.gz	AONVYRFBVPQKKX-IBGZPJMESA-N	1	0	386.492	2.478	50	10		GECARO
COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022589230	207256475	/nfs/dbraw/zinc/25/64/75/207256475.db2.gz	HBPZREQOMIJHMA-NRFANRHFSA-N	1	0	396.535	2.480	50	10		GECARO
COc1ccc(/C=C2/SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1	ZINC000015412019	208793549	/nfs/dbraw/zinc/79/35/49/208793549.db2.gz	UXRWDXOOYIKQTG-NTCAYCPXSA-N	1	0	394.518	2.391	50	10		GECARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)[NH+]3CCCC3)ccc21	ZINC000009135488	221071211	/nfs/dbraw/zinc/07/12/11/221071211.db2.gz	IRYOSVIGUBXFMN-NRFANRHFSA-N	1	0	398.551	2.381	50	10		GECARO
COc1ccc(N2CCN(Cc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)cc1	ZINC000034684237	570301399	/nfs/dbraw/zinc/30/13/99/570301399.db2.gz	WBFRLYBVUSYEOA-UHFFFAOYSA-N	1	0	396.535	2.309	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)[NH+](C)C)cc1	ZINC000005340481	570557029	/nfs/dbraw/zinc/55/70/29/570557029.db2.gz	IXVNACDFTKIYLX-GOSISDBHSA-N	1	0	390.434	2.388	50	10		GECARO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005340196	570557052	/nfs/dbraw/zinc/55/70/52/570557052.db2.gz	BUYDZGDZJWFOOZ-HXUWFJFHSA-N	1	0	382.508	2.096	50	10		GECARO
CC[NH+](CC)CCCNC=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O	ZINC000103886207	570890021	/nfs/dbraw/zinc/89/00/21/570890021.db2.gz	FWAKXJIFWFCOHZ-NTCAYCPXSA-N	1	0	394.928	2.293	50	10		GECARO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000019908845	207170697	/nfs/dbraw/zinc/17/06/97/207170697.db2.gz	AVEHSRXSVAXUJY-HXUWFJFHSA-N	1	0	399.491	2.216	50	10		GECARO
Cc1ccc(O)c(C[NH+]2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)c1	ZINC000067805280	570791637	/nfs/dbraw/zinc/79/16/37/570791637.db2.gz	WGMWSOVKRMSJBN-OAQYLSRUSA-N	1	0	380.448	2.043	50	10		GECARO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000019908848	207170543	/nfs/dbraw/zinc/17/05/43/207170543.db2.gz	AVEHSRXSVAXUJY-FQEVSTJZSA-N	1	0	399.491	2.216	50	10		GECARO
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1	ZINC000022589035	207256357	/nfs/dbraw/zinc/25/63/57/207256357.db2.gz	QNGQUWPYCBWAKN-QFIPXVFZSA-N	1	0	396.535	2.480	50	10		GECARO
COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c(O)c1	ZINC000065256992	570755642	/nfs/dbraw/zinc/75/56/42/570755642.db2.gz	CJOBYMYDPGKDSD-KRWDZBQOSA-N	1	0	382.464	2.057	50	10		GECARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3cnccn3)CC2)c1O	ZINC000032899454	570895386	/nfs/dbraw/zinc/89/53/86/570895386.db2.gz	HLIZFUXYDHILPS-UHFFFAOYSA-N	1	0	378.432	2.444	50	10		GECARO
CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000009135700	221071581	/nfs/dbraw/zinc/07/15/81/221071581.db2.gz	XYMFWQHMYPHWJJ-FQEVSTJZSA-N	1	0	386.540	2.094	50	10		GECARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(OC)c3O)CC2)cc1	ZINC000032845465	570395809	/nfs/dbraw/zinc/39/58/09/570395809.db2.gz	IWONNWAMXUNMPZ-UHFFFAOYSA-N	1	0	399.491	2.352	50	10		GECARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F	ZINC000005098855	570416216	/nfs/dbraw/zinc/41/62/16/570416216.db2.gz	ICGWEMWMXLVONO-GOSISDBHSA-N	1	0	395.500	2.482	50	10		GECARO
CN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CC[NH+](C)CC3)ccc21	ZINC000022733693	570541622	/nfs/dbraw/zinc/54/16/22/570541622.db2.gz	QLVIXJZWCXPVBN-LJQANCHMSA-N	1	0	384.549	2.459	50	10		GECARO
COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005340497	570556895	/nfs/dbraw/zinc/55/68/95/570556895.db2.gz	OBVNTYWIGRAGAK-IBGZPJMESA-N	1	0	384.480	2.119	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1	ZINC000005340513	570557012	/nfs/dbraw/zinc/55/70/12/570557012.db2.gz	MBJIOMQZBNOOLL-GOSISDBHSA-N	1	0	399.451	2.018	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000005340565	570557217	/nfs/dbraw/zinc/55/72/17/570557217.db2.gz	FQXDHMBPEMONEC-GOSISDBHSA-N	1	0	399.451	2.018	50	10		GECARO
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000004330396	570573315	/nfs/dbraw/zinc/57/33/15/570573315.db2.gz	KZEFMNVBMFIVBH-SFHVURJKSA-N	1	0	384.480	2.119	50	10		GECARO
Cc1ccc(O)c(C[NH+]2CCC([C@@]3(c4ccccn4)NC(=O)NC3=O)CC2)c1	ZINC000067934719	211028774	/nfs/dbraw/zinc/02/87/74/211028774.db2.gz	ZXXLNHLSXLCZOB-NRFANRHFSA-N	1	0	380.448	2.043	50	10		GECARO
COc1cccc(CN2CC[N@H+](Cc3ccc(OC)cc3O)C[C@@H]2CCO)c1	ZINC000020995324	210373617	/nfs/dbraw/zinc/37/36/17/210373617.db2.gz	HVTJMRBHHXVNPZ-IBGZPJMESA-N	1	0	386.492	2.478	50	10		GECARO
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000238162893	136192421	/nfs/dbraw/zinc/19/24/21/136192421.db2.gz	RYWRAYMHBRCGRO-SNRMKQJTSA-N	1	0	375.488	2.324	50	10		GECARO
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1	ZINC000269255247	526680216	/nfs/dbraw/zinc/68/02/16/526680216.db2.gz	RYWRAYMHBRCGRO-LZQZEXGQSA-N	1	0	375.488	2.324	50	10		GECARO
CN1CCCc2cc([C@@H](CNC(=O)NC(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000035597184	570399863	/nfs/dbraw/zinc/39/98/63/570399863.db2.gz	NUSCWUYNTNXVNE-HXUWFJFHSA-N	1	0	387.572	2.455	50	10		GECARO
COc1ccccc1/C=C1/SC(=S)N(CCC(=O)OCC[NH+](C)C)C1=O	ZINC000033395823	570526283	/nfs/dbraw/zinc/52/62/83/570526283.db2.gz	LQYDIXBLSXXIQT-NTCAYCPXSA-N	1	0	394.518	2.391	50	10		GECARO
C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1	ZINC000004330464	570574791	/nfs/dbraw/zinc/57/47/91/570574791.db2.gz	JMJWPDGFZQQNNH-OXJNMPFZSA-N	1	0	382.508	2.349	50	10		GECARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)[NH+](C)C)cc1	ZINC000004330445	570574819	/nfs/dbraw/zinc/57/48/19/570574819.db2.gz	HHNJLPDHBIIZKW-GOSISDBHSA-N	1	0	390.434	2.388	50	10		GECARO
CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)nn1	ZINC000015002439	210142344	/nfs/dbraw/zinc/14/23/44/210142344.db2.gz	VYBHWFHSDMWINL-MRXNPFEDSA-N	1	0	387.484	2.311	50	10		GECARO
Cc1ccc(O)c(C[NH+]2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)c1	ZINC000067805279	211023137	/nfs/dbraw/zinc/02/31/37/211023137.db2.gz	WGMWSOVKRMSJBN-NRFANRHFSA-N	1	0	380.448	2.043	50	10		GECARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](CC(=O)N(C)C(C)C)C3)CC2)cc1	ZINC000072171454	136167589	/nfs/dbraw/zinc/16/75/89/136167589.db2.gz	WRHIDDKNGIQZNT-HXUWFJFHSA-N	1	0	388.556	2.148	50	10		GECARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)CC1	ZINC000019228097	210233908	/nfs/dbraw/zinc/23/39/08/210233908.db2.gz	HDLNZEATEOOLQL-QGZVFWFLSA-N	1	0	377.485	2.139	50	10		GECARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)CC1	ZINC000019228100	210233936	/nfs/dbraw/zinc/23/39/36/210233936.db2.gz	HDLNZEATEOOLQL-KRWDZBQOSA-N	1	0	377.485	2.139	50	10		GECARO
CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)nn1	ZINC000015067591	210148412	/nfs/dbraw/zinc/14/84/12/210148412.db2.gz	MRNZIEOABVBZHS-INIZCTEOSA-N	1	0	387.484	2.311	50	10		GECARO
COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC[NH+](C)C)C2=O)cc1	ZINC000001215259	209314771	/nfs/dbraw/zinc/31/47/71/209314771.db2.gz	JQLIPPHGBLEAJW-UVTDQMKNSA-N	1	0	380.491	2.001	50	10		GECARO
CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009138432	209812615	/nfs/dbraw/zinc/81/26/15/209812615.db2.gz	QTNVEBOVNRIAQB-HXUWFJFHSA-N	1	0	386.540	2.237	50	10		GECARO
O=c1cc([C@@H]2CCC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)nc[nH]1	ZINC000023543046	209176782	/nfs/dbraw/zinc/17/67/82/209176782.db2.gz	XMIKDRKGUXCGKC-OAHLLOKOSA-N	1	0	382.464	2.347	50	10		GECARO
Cc1ccc(O)c(C[NH+]2CCC([C@]3(c4ccccn4)NC(=O)NC3=O)CC2)c1	ZINC000067934720	211029097	/nfs/dbraw/zinc/02/90/97/211029097.db2.gz	ZXXLNHLSXLCZOB-OAQYLSRUSA-N	1	0	380.448	2.043	50	10		GECARO
COc1cccc(CN2CC[N@H+](Cc3cccc(OC)c3O)C[C@H]2CCO)c1	ZINC000104332370	570257269	/nfs/dbraw/zinc/25/72/69/570257269.db2.gz	RJJSBCMKOWOYIK-LJQANCHMSA-N	1	0	386.492	2.478	50	10		GECARO
C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1	ZINC000004330467	570574748	/nfs/dbraw/zinc/57/47/48/570574748.db2.gz	JMJWPDGFZQQNNH-OXQOHEQNSA-N	1	0	382.508	2.349	50	10		GECARO
C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1O)CC2	ZINC000011995425	570597475	/nfs/dbraw/zinc/59/74/75/570597475.db2.gz	BZZMYRUQVPITOA-AWEZNQCLSA-N	1	0	381.436	2.126	50	10		GECARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1	ZINC000065362348	570759773	/nfs/dbraw/zinc/75/97/73/570759773.db2.gz	VSUKOWCQLZSCEK-UHFFFAOYSA-N	1	0	392.503	2.495	50	10		GECARO
CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O	ZINC000002386223	209360567	/nfs/dbraw/zinc/36/05/67/209360567.db2.gz	OJMCJTKKDBKASJ-BMRADRMJSA-N	1	0	392.569	2.326	50	10		GECARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)[NH+](C)C)ccc21	ZINC000013008514	136200739	/nfs/dbraw/zinc/20/07/39/136200739.db2.gz	QTKFIQJZHFSDLI-OAQYLSRUSA-N	1	0	394.519	2.104	50	10		GECARO
COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005340525	570557119	/nfs/dbraw/zinc/55/71/19/570557119.db2.gz	KCZJHHHSZVSCRT-IBGZPJMESA-N	1	0	398.507	2.427	50	10		GECARO
COc1ccc(N2CCC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1	ZINC000083947480	570981860	/nfs/dbraw/zinc/98/18/60/570981860.db2.gz	ZTBQUWBITFNQBS-UHFFFAOYSA-N	1	0	386.496	2.072	50	10		GECARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)cc3)cc2)CC1	ZINC000072434168	536421434	/nfs/dbraw/zinc/42/14/34/536421434.db2.gz	JLHJCKVOWOQJNG-UHFFFAOYSA-N	1	0	394.519	2.205	50	10		GECARO
O=C(NCc1ccco1)c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1	ZINC000034677958	570294466	/nfs/dbraw/zinc/29/44/66/570294466.db2.gz	VCOZGKSTXXJIJY-UHFFFAOYSA-N	1	0	396.447	2.221	50	10		GECARO
COc1ccc(/C=C2\SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)cc1	ZINC000001750261	209338759	/nfs/dbraw/zinc/33/87/59/209338759.db2.gz	UXRWDXOOYIKQTG-QINSGFPZSA-N	1	0	394.518	2.391	50	10		GECARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000004330340	211542752	/nfs/dbraw/zinc/54/27/52/211542752.db2.gz	VQHNXJFRMBCFQD-IBGZPJMESA-N	1	0	384.480	2.119	50	10		GECARO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1	ZINC000067621400	211012576	/nfs/dbraw/zinc/01/25/76/211012576.db2.gz	VRFHHBXZYYXRCN-UHFFFAOYSA-N	1	0	381.476	2.416	50	10		GECARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1	ZINC000020287271	210327971	/nfs/dbraw/zinc/32/79/71/210327971.db2.gz	YXEDHLVASDSUSQ-HSZRJFAPSA-N	1	0	395.503	2.460	50	10		GECARO
CN1CCCc2cc([C@H](CNC(=O)NC(C)(C)C)N3CC[NH+](C)CC3)ccc21	ZINC000035597183	570399848	/nfs/dbraw/zinc/39/98/48/570399848.db2.gz	NUSCWUYNTNXVNE-FQEVSTJZSA-N	1	0	387.572	2.455	50	10		GECARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000004330336	570573345	/nfs/dbraw/zinc/57/33/45/570573345.db2.gz	VQHNXJFRMBCFQD-LJQANCHMSA-N	1	0	384.480	2.119	50	10		GECARO
C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1	ZINC000004330456	570574700	/nfs/dbraw/zinc/57/47/00/570574700.db2.gz	JMJWPDGFZQQNNH-JXFKEZNVSA-N	1	0	382.508	2.349	50	10		GECARO
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000102685744	136190446	/nfs/dbraw/zinc/19/04/46/136190446.db2.gz	IOWRDABBKKFVCY-NRFANRHFSA-N	1	0	393.487	2.283	50	10		GECARO
Cc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000004362632	570371104	/nfs/dbraw/zinc/37/11/04/570371104.db2.gz	SZFIAGSZLGNBSW-UHFFFAOYSA-N	1	0	377.485	2.364	50	10		GECARO
COc1ccc(N2CCC([N@@H+]3CC[C@@H](Nc4ncccn4)[C@H](O)C3)CC2)cc1	ZINC000299785509	570654181	/nfs/dbraw/zinc/65/41/81/570654181.db2.gz	STQCSGLSHNXUPL-WOJBJXKFSA-N	1	0	383.496	2.001	50	10		GECARO
COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000065362145	570759697	/nfs/dbraw/zinc/75/96/97/570759697.db2.gz	ZVBOYKBWQGSZDR-UHFFFAOYSA-N	1	0	393.484	2.065	50	10		GECARO
CN(C)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1	ZINC000012507744	570823743	/nfs/dbraw/zinc/82/37/43/570823743.db2.gz	WQOHUAXHJGXLNP-GOSISDBHSA-N	1	0	378.436	2.360	50	10		GECARO
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963988	221065489	/nfs/dbraw/zinc/06/54/89/221065489.db2.gz	QYLONGKPEFLGOK-IBGZPJMESA-N	1	0	396.491	2.045	50	10		GECARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC(C)(C)C)[NH+]3CCCCC3)ccc21	ZINC000013008069	221256925	/nfs/dbraw/zinc/25/69/25/221256925.db2.gz	ZKVQCVKRTFJDEN-LJQANCHMSA-N	1	0	386.540	2.237	50	10		GECARO
CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013008076	221257118	/nfs/dbraw/zinc/25/71/18/221257118.db2.gz	DTIADHJRBSJXEH-FQEVSTJZSA-N	1	0	386.540	2.094	50	10		GECARO
COc1ccc(C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c(O)c1	ZINC000014879426	221316837	/nfs/dbraw/zinc/31/68/37/221316837.db2.gz	GTHNPUUCZAHQPC-UHFFFAOYSA-N	1	0	387.484	2.215	50	10		GECARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733789	221567945	/nfs/dbraw/zinc/56/79/45/221567945.db2.gz	VTDBNOXNLQAPIL-QFIPXVFZSA-N	1	0	378.520	2.397	50	10		GECARO
CN(C)c1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1	ZINC000012507745	221200439	/nfs/dbraw/zinc/20/04/39/221200439.db2.gz	WQOHUAXHJGXLNP-SFHVURJKSA-N	1	0	378.436	2.360	50	10		GECARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)C4(O)CCCC4)C3)CC2)cc1	ZINC000072171345	136167504	/nfs/dbraw/zinc/16/75/04/136167504.db2.gz	XCFZUSHKCRXBLT-IBGZPJMESA-N	1	0	387.524	2.113	50	10		GECARO
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O	ZINC000008725907	136195543	/nfs/dbraw/zinc/19/55/43/136195543.db2.gz	DIQICUCRWVDRMK-UHFFFAOYSA-N	1	0	399.539	2.082	50	10		GECARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)[NH+](C)C)ccc21	ZINC000013008556	136200787	/nfs/dbraw/zinc/20/07/87/136200787.db2.gz	ITOIXPDMWCEZGR-HXUWFJFHSA-N	1	0	386.540	2.237	50	10		GECARO
COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c(O)c1	ZINC000065256991	222117018	/nfs/dbraw/zinc/11/70/18/222117018.db2.gz	CJOBYMYDPGKDSD-QGZVFWFLSA-N	1	0	382.464	2.057	50	10		GECARO
CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	ZINC000058168504	535468851	/nfs/dbraw/zinc/46/88/51/535468851.db2.gz	CGMXFSBKBWHJDZ-UHFFFAOYSA-N	1	0	378.492	2.070	50	10		GECARO
O=S(=O)(N1CCCC1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000026626490	570427572	/nfs/dbraw/zinc/42/75/72/570427572.db2.gz	CRQTYLFPSJNHFX-UHFFFAOYSA-N	1	0	375.494	2.004	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1	ZINC000005340576	570557301	/nfs/dbraw/zinc/55/73/01/570557301.db2.gz	LQKJEUJPKWXWBQ-SFHVURJKSA-N	1	0	399.451	2.018	50	10		GECARO
CCOc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000049740716	570665144	/nfs/dbraw/zinc/66/51/44/570665144.db2.gz	SVJHCMIBYDNIKE-UHFFFAOYSA-N	1	0	389.521	2.316	50	10		GECARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1F	ZINC000008963926	221065248	/nfs/dbraw/zinc/06/52/48/221065248.db2.gz	ZATBXHLQAANAMM-HXUWFJFHSA-N	1	0	398.482	2.484	50	10		GECARO
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCC4)c3[O-])CC2)cc1	ZINC000101374680	136189531	/nfs/dbraw/zinc/18/95/31/136189531.db2.gz	MOZBBOBYYHEVDE-UHFFFAOYSA-N	1	0	399.491	2.272	50	10		GECARO
COc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1O	ZINC000065256986	222117796	/nfs/dbraw/zinc/11/77/96/222117796.db2.gz	UVAVITDWRQBGDA-KRWDZBQOSA-N	1	0	382.464	2.057	50	10		GECARO
COc1cccc(CN2CC[N@H+](Cc3ccc(OC)cc3O)C[C@H]2CCO)c1	ZINC000104401818	570257651	/nfs/dbraw/zinc/25/76/51/570257651.db2.gz	HVTJMRBHHXVNPZ-LJQANCHMSA-N	1	0	386.492	2.478	50	10		GECARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3ncccn3)CC2)c1O	ZINC000025059938	570404761	/nfs/dbraw/zinc/40/47/61/570404761.db2.gz	NBCRBGRQNWKHHU-UHFFFAOYSA-N	1	0	378.432	2.444	50	10		GECARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733792	570541335	/nfs/dbraw/zinc/54/13/35/570541335.db2.gz	VTDBNOXNLQAPIL-JOCHJYFZSA-N	1	0	378.520	2.397	50	10		GECARO
CN1CCc2cc([C@H](CNC(=O)c3cccs3)N3CC[NH+](C)CC3)ccc21	ZINC000022733690	570541596	/nfs/dbraw/zinc/54/15/96/570541596.db2.gz	QLVIXJZWCXPVBN-IBGZPJMESA-N	1	0	384.549	2.459	50	10		GECARO
COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005340527	570557293	/nfs/dbraw/zinc/55/72/93/570557293.db2.gz	KCZJHHHSZVSCRT-LJQANCHMSA-N	1	0	398.507	2.427	50	10		GECARO
CN(C)c1cc(NCC[N@H+](C)CCO)c2c3c1noc3-c1ccccc1C2=O	ZINC000006737860	570562079	/nfs/dbraw/zinc/56/20/79/570562079.db2.gz	SDXARLYWKJFOKQ-UHFFFAOYSA-N	1	0	380.448	2.441	50	10		GECARO
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1	ZINC000269255246	570576015	/nfs/dbraw/zinc/57/60/15/570576015.db2.gz	RYWRAYMHBRCGRO-IPELMVKDSA-N	1	0	375.488	2.324	50	10		GECARO
COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC[NH+](C)C)C2=O)cc1	ZINC000016873063	570915767	/nfs/dbraw/zinc/91/57/67/570915767.db2.gz	JQLIPPHGBLEAJW-GXDHUFHOSA-N	1	0	380.491	2.001	50	10		GECARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1	ZINC000012079142	221148140	/nfs/dbraw/zinc/14/81/40/221148140.db2.gz	IUXQDKIEIASSSG-KRWDZBQOSA-N	1	0	399.495	2.456	50	10		GECARO
COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1Cn1cccn1	ZINC000012836991	221237882	/nfs/dbraw/zinc/23/78/82/221237882.db2.gz	PFYKAUJGFPXWOR-LJQANCHMSA-N	1	0	378.480	2.489	50	10		GECARO
CC[NH+](CC)CCOC(=O)c1ccc(N=CC2C(=O)OC(C)(C)OC2=O)cc1	ZINC000101268485	570818819	/nfs/dbraw/zinc/81/88/19/570818819.db2.gz	ZKTJXJPFLFPBNM-UHFFFAOYSA-N	1	0	390.436	2.317	50	10		GECARO
COc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1	ZINC000065256994	222117106	/nfs/dbraw/zinc/11/71/06/222117106.db2.gz	OBCQKCYDWGDYFD-KRWDZBQOSA-N	1	0	382.464	2.057	50	10		GECARO
CCOc1cccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)c1O	ZINC000065453532	222129874	/nfs/dbraw/zinc/12/98/74/222129874.db2.gz	PQCAXIGNZNIYOY-UHFFFAOYSA-N	1	0	380.452	2.089	50	10		GECARO
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNCC[NH+]1CCCCC1	ZINC000020291416	570251963	/nfs/dbraw/zinc/25/19/63/570251963.db2.gz	UXVQHNUPTLEKFL-BMRADRMJSA-N	1	0	390.553	2.080	50	10		GECARO
COc1cccc(/C=C2\SC(=S)N(CCC(=O)OCC[NH+](C)C)C2=O)c1	ZINC000002901039	570317886	/nfs/dbraw/zinc/31/78/86/570317886.db2.gz	ARTZAUFDEKMFJC-QINSGFPZSA-N	1	0	394.518	2.391	50	10		GECARO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005340194	570701696	/nfs/dbraw/zinc/70/16/96/570701696.db2.gz	BUYDZGDZJWFOOZ-FQEVSTJZSA-N	1	0	382.508	2.096	50	10		GECARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005098846	220829053	/nfs/dbraw/zinc/82/90/53/220829053.db2.gz	LHNBXBXICXAZPR-LJQANCHMSA-N	1	0	377.510	2.342	50	10		GECARO
CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3O)C2)nn1	ZINC000015067589	221329061	/nfs/dbraw/zinc/32/90/61/221329061.db2.gz	MRNZIEOABVBZHS-MRXNPFEDSA-N	1	0	387.484	2.311	50	10		GECARO
O=C1NCCNC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1O)CC2	ZINC000067758211	222157250	/nfs/dbraw/zinc/15/72/50/222157250.db2.gz	ISUBWQMUMOWJCJ-UHFFFAOYSA-N	1	0	381.476	2.025	50	10		GECARO
COc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1O	ZINC000104439283	570258545	/nfs/dbraw/zinc/25/85/45/570258545.db2.gz	LLKDGSMJQFDXDH-HXUWFJFHSA-N	1	0	391.556	2.142	50	10		GECARO
O=S(=O)(NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)c1cccs1	ZINC000027534859	570435508	/nfs/dbraw/zinc/43/55/08/570435508.db2.gz	SZTCFLALCBSDAS-UHFFFAOYSA-N	1	0	396.490	2.125	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)[NH+](C)C)cc1	ZINC000005340340	570557088	/nfs/dbraw/zinc/55/70/88/570557088.db2.gz	NOAUNWJTKASQKH-FQEVSTJZSA-N	1	0	386.540	2.478	50	10		GECARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)[NH+](C)C)cc1	ZINC000004330448	570574796	/nfs/dbraw/zinc/57/47/96/570574796.db2.gz	HHNJLPDHBIIZKW-SFHVURJKSA-N	1	0	390.434	2.388	50	10		GECARO
COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c(O)c1	ZINC000011881590	221134332	/nfs/dbraw/zinc/13/43/32/221134332.db2.gz	NNVHJQAHOMSYHP-QGZVFWFLSA-N	1	0	399.495	2.456	50	10		GECARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c1	ZINC000012125868	221156283	/nfs/dbraw/zinc/15/62/83/221156283.db2.gz	NPZUQKIHPQXRIO-MRXNPFEDSA-N	1	0	387.484	2.215	50	10		GECARO
COc1cccc(C[N@@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1O	ZINC000015067454	221329400	/nfs/dbraw/zinc/32/94/00/221329400.db2.gz	HZHMUOGGNVYXTA-QGZVFWFLSA-N	1	0	399.495	2.329	50	10		GECARO
CN(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000017317368	221384205	/nfs/dbraw/zinc/38/42/05/221384205.db2.gz	CMOGHWDZLNJSRA-UHFFFAOYSA-N	1	0	389.521	2.063	50	10		GECARO
COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1O	ZINC000065256985	222117902	/nfs/dbraw/zinc/11/79/02/222117902.db2.gz	UVAVITDWRQBGDA-QGZVFWFLSA-N	1	0	382.464	2.057	50	10		GECARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)CC2)cc1	ZINC000053654588	570675364	/nfs/dbraw/zinc/67/53/64/570675364.db2.gz	KZICCXRTLBNJHV-CWFIWJMMSA-N	1	0	395.507	2.245	50	10		GECARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+](C)C)ccc21	ZINC000008963918	221065338	/nfs/dbraw/zinc/06/53/38/221065338.db2.gz	LOOVQEXAVAFVEF-IBGZPJMESA-N	1	0	384.455	2.176	50	10		GECARO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1	ZINC000008963844	221065622	/nfs/dbraw/zinc/06/56/22/221065622.db2.gz	BOFAGZWKMKCIGG-OAQYLSRUSA-N	1	0	394.519	2.023	50	10		GECARO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+](C)C)cc1	ZINC000008963843	221065679	/nfs/dbraw/zinc/06/56/79/221065679.db2.gz	BOFAGZWKMKCIGG-NRFANRHFSA-N	1	0	394.519	2.023	50	10		GECARO
COc1cccc(C[N@@H+]2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1O	ZINC000015067456	221329896	/nfs/dbraw/zinc/32/98/96/221329896.db2.gz	HZHMUOGGNVYXTA-KRWDZBQOSA-N	1	0	399.495	2.329	50	10		GECARO
CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C1Cc2ccccc2C1	ZINC000023361665	221593196	/nfs/dbraw/zinc/59/31/96/221593196.db2.gz	QEPPMAPUCYTRNS-OFNKIYASSA-N	1	0	392.547	2.199	50	10		GECARO
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)OCC[NH+](C)C)C1=O	ZINC000002229877	570279813	/nfs/dbraw/zinc/27/98/13/570279813.db2.gz	LQYDIXBLSXXIQT-QINSGFPZSA-N	1	0	394.518	2.391	50	10		GECARO
COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005098857	570416099	/nfs/dbraw/zinc/41/60/99/570416099.db2.gz	QKWCMAIVBXBORH-QGZVFWFLSA-N	1	0	395.500	2.482	50	10		GECARO
C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)CSC2=S)C1	ZINC000012091157	570607655	/nfs/dbraw/zinc/60/76/55/570607655.db2.gz	XSPDZYDTGSKQBD-INIZCTEOSA-N	1	0	391.562	2.012	50	10		GECARO