smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CC[NH+](C)CC3)ccc21	ZINC000022734878	523917628	/nfs/dbraw/zinc/91/76/28/523917628.db2.gz	GIDWJTJNSPLATA-QHCPKHFHSA-N	1	0	440.563	2.692	50	10		IFCARO
CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022735782	524014855	/nfs/dbraw/zinc/01/48/55/524014855.db2.gz	STFUDUOYJCDYJC-XMMPIXPASA-N	1	0	442.629	2.508	50	10		IFCARO
COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1OC	ZINC000022418635	526190856	/nfs/dbraw/zinc/19/08/56/526190856.db2.gz	MLVXNWINPSTVMB-OAQYLSRUSA-N	1	0	441.576	2.880	50	10		IFCARO
CCOc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1O	ZINC000012005088	556386270	/nfs/dbraw/zinc/38/62/70/556386270.db2.gz	HCHSWAXEIZPHLX-LJQANCHMSA-N	1	0	442.560	2.776	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CC[NH+](C)CC2)cc1	ZINC000022937851	556506839	/nfs/dbraw/zinc/50/68/39/556506839.db2.gz	SEGJWZKNURQOTB-JOCHJYFZSA-N	1	0	434.540	2.578	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)[NH+]3CCCCC3)ccc21	ZINC000013007848	569306430	/nfs/dbraw/zinc/30/64/30/569306430.db2.gz	AHJNZCIRNRPAJO-HSZRJFAPSA-N	1	0	446.551	2.618	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)[NH+]3CCCCC3)ccc21	ZINC000013007850	569306478	/nfs/dbraw/zinc/30/64/78/569306478.db2.gz	AHJNZCIRNRPAJO-QHCPKHFHSA-N	1	0	446.551	2.618	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(OC)c1	ZINC000008798879	569476495	/nfs/dbraw/zinc/47/64/95/569476495.db2.gz	BHZVSBQHBMIXTD-HXUWFJFHSA-N	1	0	433.574	2.667	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)cc1	ZINC000039983340	569482259	/nfs/dbraw/zinc/48/22/59/569482259.db2.gz	YOWFCEGXNVDIKX-UHFFFAOYSA-N	1	0	441.532	2.612	50	10		IFCARO
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008964210	569491214	/nfs/dbraw/zinc/49/12/14/569491214.db2.gz	RFNMCYJMZPHYQQ-HSZRJFAPSA-N	1	0	449.555	2.529	50	10		IFCARO
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(N(C)C)cc1	ZINC000009468947	569538745	/nfs/dbraw/zinc/53/87/45/569538745.db2.gz	SQIZNYXGIUYTBD-GOSISDBHSA-N	1	0	444.601	2.996	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000009135499	132306276	/nfs/dbraw/zinc/30/62/76/132306276.db2.gz	KFFVCHVBYJYZGO-QHCPKHFHSA-N	1	0	436.556	2.969	50	10		IFCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1	ZINC000023080630	556998137	/nfs/dbraw/zinc/99/81/37/556998137.db2.gz	ZRUQRGRQCWHFGK-OAQYLSRUSA-N	1	0	437.009	2.673	50	10		IFCARO
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000048356387	557073225	/nfs/dbraw/zinc/07/32/25/557073225.db2.gz	ALFWNHGYEQPIAJ-SFHVURJKSA-N	1	0	444.601	2.616	50	10		IFCARO
COc1ccc(N2CCN(C(=O)CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)cc1	ZINC000096231312	569387494	/nfs/dbraw/zinc/38/74/94/569387494.db2.gz	VSJMQCYCRJMRAC-UHFFFAOYSA-N	1	0	439.556	2.809	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)NCCCc3ccccc3)N3CC[NH+](C)CC3)ccc21	ZINC000038517979	569463121	/nfs/dbraw/zinc/46/31/21/569463121.db2.gz	RGWMQWUOOHCVJN-VWLOTQADSA-N	1	0	435.616	2.899	50	10		IFCARO
O=S(=O)(c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1)N1CCOCC1	ZINC000008395463	569463255	/nfs/dbraw/zinc/46/32/55/569463255.db2.gz	BLRUYXBEKYVPGG-UHFFFAOYSA-N	1	0	429.586	2.988	50	10		IFCARO
CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000008798769	569476415	/nfs/dbraw/zinc/47/64/15/569476415.db2.gz	BOGKMINHEPEXFA-JOCHJYFZSA-N	1	0	430.574	2.609	50	10		IFCARO
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000010188283	569578881	/nfs/dbraw/zinc/57/88/81/569578881.db2.gz	LXXZHBHTMOIKRR-JOCHJYFZSA-N	1	0	437.544	2.603	50	10		IFCARO
CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)CC1	ZINC000020911524	520959855	/nfs/dbraw/zinc/95/98/55/520959855.db2.gz	HNJJXONBVHGMOF-JOCHJYFZSA-N	1	0	430.593	2.903	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)C3=Cc4cc(OC)ccc4OC3)CC2)cc1	ZINC000021095430	524423226	/nfs/dbraw/zinc/42/32/26/524423226.db2.gz	SZMRFWGMXLGFMU-UHFFFAOYSA-N	1	0	437.540	2.808	50	10		IFCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCC3)ccc21	ZINC000009135528	536397456	/nfs/dbraw/zinc/39/74/56/536397456.db2.gz	ZRWVWYUIQJBMPF-QHCPKHFHSA-N	1	0	438.547	2.778	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1	ZINC000009919386	536697213	/nfs/dbraw/zinc/69/72/13/536697213.db2.gz	MWATVUHPDABETR-UHFFFAOYSA-N	1	0	436.556	2.764	50	10		IFCARO
COc1ccc2c3c(n(CCCN4CC[NH+](C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000604403897	557246372	/nfs/dbraw/zinc/24/63/72/557246372.db2.gz	COWLQUSZASUNMZ-UHFFFAOYSA-N	1	0	447.535	2.868	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000013007966	569306437	/nfs/dbraw/zinc/30/64/37/569306437.db2.gz	PMRSUVFBYXVOGY-OAQYLSRUSA-N	1	0	426.586	2.700	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007913	569306490	/nfs/dbraw/zinc/30/64/90/569306490.db2.gz	ACNPRMRWZDYFHV-HSZRJFAPSA-N	1	0	438.547	2.778	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)C3=C(C)C(=O)OC34CCCCC4)CC2)cc1	ZINC000020279346	569358654	/nfs/dbraw/zinc/35/86/54/569358654.db2.gz	RPWAHLULXCPQMM-UHFFFAOYSA-N	1	0	441.572	2.900	50	10		IFCARO
COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)CC2)cc1	ZINC000095466766	569371024	/nfs/dbraw/zinc/37/10/24/569371024.db2.gz	CUGWDVAWWONNID-JOCHJYFZSA-N	1	0	449.599	2.934	50	10		IFCARO
COc1ccc(N2CCN(c3nc(C(=O)NCC[NH+]4CCCCC4)cs3)CC2)cc1	ZINC000096386307	569398428	/nfs/dbraw/zinc/39/84/28/569398428.db2.gz	DWMIHZJGMGXYPO-UHFFFAOYSA-N	1	0	429.590	2.694	50	10		IFCARO
CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21	ZINC000008801009	569476483	/nfs/dbraw/zinc/47/64/83/569476483.db2.gz	WRMBYKGYUFAZCV-NRFANRHFSA-N	1	0	443.569	2.566	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC	ZINC000008800943	569476497	/nfs/dbraw/zinc/47/64/97/569476497.db2.gz	ZODNWOTVIHZNBW-NRFANRHFSA-N	1	0	445.585	2.812	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000008964035	569491178	/nfs/dbraw/zinc/49/11/78/569491178.db2.gz	FWABTVPQCUYVLR-JOCHJYFZSA-N	1	0	440.975	2.902	50	10		IFCARO
CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3CCN(c4ccc(OC)cc4)CC3)C2)CC1	ZINC000020911528	520961812	/nfs/dbraw/zinc/96/18/12/520961812.db2.gz	HNJJXONBVHGMOF-QFIPXVFZSA-N	1	0	430.593	2.903	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CC[NH+](C)CC3)ccc21	ZINC000035597258	523997975	/nfs/dbraw/zinc/99/79/75/523997975.db2.gz	RMVLUPJKPRSZLO-OAQYLSRUSA-N	1	0	437.544	2.518	50	10		IFCARO
CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022735814	523998185	/nfs/dbraw/zinc/99/81/85/523998185.db2.gz	HMOSTTGCHSKSEY-JOCHJYFZSA-N	1	0	449.020	2.599	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21	ZINC000022733713	523999236	/nfs/dbraw/zinc/99/92/36/523999236.db2.gz	UPSPHFSPUSYKQM-SFHVURJKSA-N	1	0	447.377	2.753	50	10		IFCARO
COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000009135737	537079262	/nfs/dbraw/zinc/07/92/62/537079262.db2.gz	MQTGHNVYYFTPDV-JOCHJYFZSA-N	1	0	436.556	2.969	50	10		IFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC)c(OC)c3)C2)c1	ZINC000002965896	556154144	/nfs/dbraw/zinc/15/41/44/556154144.db2.gz	ANMQFEYBCJIBQX-QFIPXVFZSA-N	1	0	431.534	2.892	50	10		IFCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[NH+]2CCCCC2)cc1	ZINC000011907213	556374017	/nfs/dbraw/zinc/37/40/17/556374017.db2.gz	IDOFQPRNASJGTP-FQEVSTJZSA-N	1	0	431.558	2.987	50	10		IFCARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)c(O)c1	ZINC000014878596	556452210	/nfs/dbraw/zinc/45/22/10/556452210.db2.gz	UGTPBBYRFSPTCR-UHFFFAOYSA-N	1	0	449.555	2.640	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CC[NH+](C)CC2)cc1	ZINC000022937849	556506899	/nfs/dbraw/zinc/50/68/99/556506899.db2.gz	SEGJWZKNURQOTB-QFIPXVFZSA-N	1	0	434.540	2.578	50	10		IFCARO
COc1ccc(N2CC[NH+](CCNc3cc(C)nc4nc(-c5ccco5)nn43)CC2)cc1	ZINC000015780341	556551419	/nfs/dbraw/zinc/55/14/19/556551419.db2.gz	RHGTTXZNLANYEH-UHFFFAOYSA-N	1	0	433.516	2.935	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1	ZINC000005341064	556766901	/nfs/dbraw/zinc/76/69/01/556766901.db2.gz	BIMLCIVVAOJLGO-FQEVSTJZSA-N	1	0	425.489	2.553	50	10		IFCARO
COc1ccc(N2CCN(CCC[NH2+][C@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1	ZINC000097033754	556979535	/nfs/dbraw/zinc/97/95/35/556979535.db2.gz	JUGVMLWPMMVLQJ-HXUWFJFHSA-N	1	0	431.602	2.659	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1	ZINC000048262205	557049967	/nfs/dbraw/zinc/04/99/67/557049967.db2.gz	BCNODCSNTPWMSG-UHFFFAOYSA-N	1	0	437.548	2.619	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCC3)ccc21	ZINC000008964175	569491138	/nfs/dbraw/zinc/49/11/38/569491138.db2.gz	MISFBMFWYLADIM-JOCHJYFZSA-N	1	0	440.975	2.902	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21	ZINC000008964114	569491198	/nfs/dbraw/zinc/49/11/98/569491198.db2.gz	WMGSOHSIUFNLAP-NRFANRHFSA-N	1	0	428.483	2.849	50	10		IFCARO
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000010188282	569578844	/nfs/dbraw/zinc/57/88/44/569578844.db2.gz	LXXZHBHTMOIKRR-QFIPXVFZSA-N	1	0	437.544	2.603	50	10		IFCARO
CCOc1cccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1O	ZINC000020536808	521341776	/nfs/dbraw/zinc/34/17/76/521341776.db2.gz	TWDUUARSIQBDEH-FQEVSTJZSA-N	1	0	430.545	2.877	50	10		IFCARO
COC(=O)c1cccc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1	ZINC000012644808	522229403	/nfs/dbraw/zinc/22/94/03/522229403.db2.gz	WSKJTCSLKVVPSQ-UHFFFAOYSA-N	1	0	426.517	2.816	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)NCc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000035597266	523998291	/nfs/dbraw/zinc/99/82/91/523998291.db2.gz	UEDQDRWZEMWSBL-HSZRJFAPSA-N	1	0	425.552	2.606	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)NCc3ccc(F)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000035597265	523999731	/nfs/dbraw/zinc/99/97/31/523999731.db2.gz	UEDQDRWZEMWSBL-QHCPKHFHSA-N	1	0	425.552	2.606	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C	ZINC000022735828	525573277	/nfs/dbraw/zinc/57/32/77/525573277.db2.gz	GMEOZFSAMWCQFG-DEOSSOPVSA-N	1	0	442.629	2.563	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1C	ZINC000022735831	525575926	/nfs/dbraw/zinc/57/59/26/525575926.db2.gz	GMEOZFSAMWCQFG-XMMPIXPASA-N	1	0	442.629	2.563	50	10		IFCARO
COC(=O)c1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1	ZINC000055225737	556738293	/nfs/dbraw/zinc/73/82/93/556738293.db2.gz	UDJTUGPQVMKTPS-QFIPXVFZSA-N	1	0	437.540	2.909	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)[NH+]2CCCC2)cc1	ZINC000005340989	556766578	/nfs/dbraw/zinc/76/65/78/556766578.db2.gz	CDOOYWMIYPBRRC-OAQYLSRUSA-N	1	0	428.964	2.976	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005340655	556766638	/nfs/dbraw/zinc/76/66/38/556766638.db2.gz	VNVTYFWYPCNWHB-OAQYLSRUSA-N	1	0	428.964	2.976	50	10		IFCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1	ZINC000023080610	556997978	/nfs/dbraw/zinc/99/79/78/556997978.db2.gz	HSXSUZJGEGNAAJ-OAQYLSRUSA-N	1	0	437.009	2.673	50	10		IFCARO
O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3cc(Br)ccc3O)C2)nc1	ZINC000049421001	557107446	/nfs/dbraw/zinc/10/74/46/557107446.db2.gz	FJWWNCTWUIXAKZ-QGZVFWFLSA-N	1	0	431.334	2.810	50	10		IFCARO
C[NH+](C)CCOC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000001237736	568774349	/nfs/dbraw/zinc/77/43/49/568774349.db2.gz	DHMFYJBTGQPFJI-LCYFTJDESA-N	1	0	429.361	2.755	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2)cc1	ZINC000020154065	569353511	/nfs/dbraw/zinc/35/35/11/569353511.db2.gz	RBNPBQDRPLHFQF-UHFFFAOYSA-N	1	0	443.504	2.946	50	10		IFCARO
COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008800932	569476442	/nfs/dbraw/zinc/47/64/42/569476442.db2.gz	HCBOPNYDJINGQX-OAQYLSRUSA-N	1	0	445.585	2.812	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3nccs3)[NH+]3CCCCC3)ccc21	ZINC000009165278	132227151	/nfs/dbraw/zinc/22/71/51/132227151.db2.gz	JVQYRPHNOJKRQY-LJQANCHMSA-N	1	0	427.574	2.807	50	10		IFCARO
CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)s1	ZINC000022735855	524014316	/nfs/dbraw/zinc/01/43/16/524014316.db2.gz	MZJWHKFJXQBQFP-NRFANRHFSA-N	1	0	448.658	2.570	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCSc4ccccc43)CC2)cc1	ZINC000015785868	524423701	/nfs/dbraw/zinc/42/37/01/524423701.db2.gz	RAVKQBWGAOZIHA-UHFFFAOYSA-N	1	0	440.613	2.936	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1	ZINC000022735837	525576011	/nfs/dbraw/zinc/57/60/11/525576011.db2.gz	RPMYXYKVNAGJGX-HSZRJFAPSA-N	1	0	442.629	2.563	50	10		IFCARO
COc1ccc(N2CC[NH+](C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)cc1	ZINC000009184888	536693167	/nfs/dbraw/zinc/69/31/67/536693167.db2.gz	QYTILGFKRWZTRX-UHFFFAOYSA-N	1	0	433.549	2.810	50	10		IFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccc(OC)c(OC)c3)C2)c1	ZINC000002965897	556154233	/nfs/dbraw/zinc/15/42/33/556154233.db2.gz	ANMQFEYBCJIBQX-JOCHJYFZSA-N	1	0	431.534	2.892	50	10		IFCARO
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)cc1OC	ZINC000008819515	556219297	/nfs/dbraw/zinc/21/92/97/556219297.db2.gz	VCERVBMBTHUPBU-LGMDPLHJSA-N	1	0	438.571	2.790	50	10		IFCARO
CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1	ZINC000058137588	556760834	/nfs/dbraw/zinc/76/08/34/556760834.db2.gz	GDMJSPFXANZZTQ-UHFFFAOYSA-N	1	0	437.588	2.930	50	10		IFCARO
CN1C(=O)C(=CNC2CC[NH+](Cc3ccccc3)CC2)C(=O)N(c2ccccc2)C1=S	ZINC000020023748	556966033	/nfs/dbraw/zinc/96/60/33/556966033.db2.gz	BEBXMIKVQASASY-LTGZKZEYSA-N	1	0	434.565	2.915	50	10		IFCARO
O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1	ZINC000001834772	568916113	/nfs/dbraw/zinc/91/61/13/568916113.db2.gz	LJUBNCBVBAFGQK-HMMYKYKNSA-N	1	0	426.586	2.701	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(OC)c1	ZINC000008801041	569476462	/nfs/dbraw/zinc/47/64/62/569476462.db2.gz	BPMUFSJVRBTNGH-NRFANRHFSA-N	1	0	445.585	2.812	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21	ZINC000008964113	569491128	/nfs/dbraw/zinc/49/11/28/569491128.db2.gz	WMGSOHSIUFNLAP-OAQYLSRUSA-N	1	0	428.483	2.849	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+]3CCCC3)ccc21	ZINC000008964106	569491140	/nfs/dbraw/zinc/49/11/40/569491140.db2.gz	OSZHVWOYNFQHGH-NRFANRHFSA-N	1	0	428.483	2.849	50	10		IFCARO
CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008964070	569491160	/nfs/dbraw/zinc/49/11/60/569491160.db2.gz	YFSLGPINFBBLBX-HSZRJFAPSA-N	1	0	436.556	2.969	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+]3CCCC3)ccc21	ZINC000008964103	569491210	/nfs/dbraw/zinc/49/12/10/569491210.db2.gz	FJWTUFTYUXBPBP-OAQYLSRUSA-N	1	0	428.483	2.849	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733598	523999043	/nfs/dbraw/zinc/99/90/43/523999043.db2.gz	GFDYKCDJRLWUAJ-QHCPKHFHSA-N	1	0	442.991	2.816	50	10		IFCARO
Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000022664988	524088951	/nfs/dbraw/zinc/08/89/51/524088951.db2.gz	RJBANRGMSUJFNJ-QFIPXVFZSA-N	1	0	425.533	2.688	50	10		IFCARO
Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1	ZINC000022734866	524716324	/nfs/dbraw/zinc/71/63/24/524716324.db2.gz	PEQQOXIKICUXRQ-VWLOTQADSA-N	1	0	436.600	2.861	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1	ZINC000022735834	525573977	/nfs/dbraw/zinc/57/39/77/525573977.db2.gz	RPMYXYKVNAGJGX-QHCPKHFHSA-N	1	0	442.629	2.563	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1C	ZINC000022589473	525574703	/nfs/dbraw/zinc/57/47/03/525574703.db2.gz	YKRJRGYYWPVRNE-QHCPKHFHSA-N	1	0	430.618	2.636	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]nc4c3COc3ccccc3-4)CC2)cc1	ZINC000009728793	536696555	/nfs/dbraw/zinc/69/65/55/536696555.db2.gz	YORMOCBEESEKFY-UHFFFAOYSA-N	1	0	447.539	2.920	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3COc4ccc(OC)cc4C3)CC2)cc1	ZINC000008610499	536697187	/nfs/dbraw/zinc/69/71/87/536697187.db2.gz	MZSLLJVVMBILGD-HXUWFJFHSA-N	1	0	439.556	2.583	50	10		IFCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)Cn4cc5ccccc5n4)C3)CC2)cc1	ZINC000055131887	556735753	/nfs/dbraw/zinc/73/57/53/556735753.db2.gz	LULXWMMIYCFROU-JOCHJYFZSA-N	1	0	433.556	2.858	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)[NH+]2CCCC2)cc1	ZINC000005341002	556766530	/nfs/dbraw/zinc/76/65/30/556766530.db2.gz	CDOOYWMIYPBRRC-NRFANRHFSA-N	1	0	428.964	2.976	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(OC)c1	ZINC000016914810	569166112	/nfs/dbraw/zinc/16/61/12/569166112.db2.gz	JLANDKDLPHRXKN-FQEVSTJZSA-N	1	0	433.574	2.885	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007868	569306471	/nfs/dbraw/zinc/30/64/71/569306471.db2.gz	PGLCBJVSJDUCCC-HSZRJFAPSA-N	1	0	436.556	2.969	50	10		IFCARO
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000008798768	569476375	/nfs/dbraw/zinc/47/63/75/569476375.db2.gz	BOGKMINHEPEXFA-QFIPXVFZSA-N	1	0	430.574	2.609	50	10		IFCARO
COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008800933	569476469	/nfs/dbraw/zinc/47/64/69/569476469.db2.gz	HCBOPNYDJINGQX-NRFANRHFSA-N	1	0	445.585	2.812	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC	ZINC000008800942	569476502	/nfs/dbraw/zinc/47/65/02/569476502.db2.gz	ZODNWOTVIHZNBW-OAQYLSRUSA-N	1	0	445.585	2.812	50	10		IFCARO
CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008964179	569491172	/nfs/dbraw/zinc/49/11/72/569491172.db2.gz	WIRWRMDTAMYVPT-QFIPXVFZSA-N	1	0	436.556	2.969	50	10		IFCARO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c2ccccc2n1	ZINC000013008699	132342081	/nfs/dbraw/zinc/34/20/81/132342081.db2.gz	RSUDSOLCLVRZFA-XMMPIXPASA-N	1	0	445.567	2.705	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21	ZINC000022733716	523998143	/nfs/dbraw/zinc/99/81/43/523998143.db2.gz	UPSPHFSPUSYKQM-GOSISDBHSA-N	1	0	447.377	2.753	50	10		IFCARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4OCCO)C3)CC2)cc1	ZINC000022851168	524431592	/nfs/dbraw/zinc/43/15/92/524431592.db2.gz	BRJYXYHOMWOSGY-HSZRJFAPSA-N	1	0	425.573	2.853	50	10		IFCARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccc4OCCO)C3)CC2)cc1	ZINC000022851170	524433848	/nfs/dbraw/zinc/43/38/48/524433848.db2.gz	BRJYXYHOMWOSGY-QHCPKHFHSA-N	1	0	425.573	2.853	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1	ZINC000004330789	556339482	/nfs/dbraw/zinc/33/94/82/556339482.db2.gz	RJLPAATVHKSPPK-FQEVSTJZSA-N	1	0	425.489	2.553	50	10		IFCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[NH+]2CCCCC2)cc1	ZINC000011907211	556373942	/nfs/dbraw/zinc/37/39/42/556373942.db2.gz	IDOFQPRNASJGTP-HXUWFJFHSA-N	1	0	431.558	2.987	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1	ZINC000005341062	556766546	/nfs/dbraw/zinc/76/65/46/556766546.db2.gz	BIMLCIVVAOJLGO-HXUWFJFHSA-N	1	0	425.489	2.553	50	10		IFCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1	ZINC000023080632	556998152	/nfs/dbraw/zinc/99/81/52/556998152.db2.gz	ZRUQRGRQCWHFGK-NRFANRHFSA-N	1	0	437.009	2.673	50	10		IFCARO
CCOC(=O)c1c(C)oc2ncnc(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c21	ZINC000015727222	568812729	/nfs/dbraw/zinc/81/27/29/568812729.db2.gz	WUSWOCFOGOVDNQ-UHFFFAOYSA-N	1	0	439.516	2.951	50	10		IFCARO
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2	ZINC000065273108	569129264	/nfs/dbraw/zinc/12/92/64/569129264.db2.gz	QJNLXTYRGIWYAQ-GOSISDBHSA-N	1	0	440.613	2.623	50	10		IFCARO
C[NH+](C)CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000002350375	569282696	/nfs/dbraw/zinc/28/26/96/569282696.db2.gz	ARHXAIYKTYMGOT-LCYFTJDESA-N	1	0	429.361	2.755	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007915	569306456	/nfs/dbraw/zinc/30/64/56/569306456.db2.gz	ACNPRMRWZDYFHV-QHCPKHFHSA-N	1	0	438.547	2.778	50	10		IFCARO
CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21	ZINC000008801008	569476456	/nfs/dbraw/zinc/47/64/56/569476456.db2.gz	WRMBYKGYUFAZCV-OAQYLSRUSA-N	1	0	443.569	2.566	50	10		IFCARO
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(N(C)C)cc1	ZINC000009468945	569538756	/nfs/dbraw/zinc/53/87/56/569538756.db2.gz	SQIZNYXGIUYTBD-SFHVURJKSA-N	1	0	444.601	2.996	50	10		IFCARO
CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1	ZINC000009731020	569564494	/nfs/dbraw/zinc/56/44/94/569564494.db2.gz	OSVXXEDZSGDMJU-UHFFFAOYSA-N	1	0	440.935	2.828	50	10		IFCARO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)no1	ZINC000009138088	132226976	/nfs/dbraw/zinc/22/69/76/132226976.db2.gz	UBELLZMGAJNZQF-FQEVSTJZSA-N	1	0	425.533	2.647	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCC3)ccc21	ZINC000009135667	132227360	/nfs/dbraw/zinc/22/73/60/132227360.db2.gz	SWSDAEMVHKELIK-XMMPIXPASA-N	1	0	434.584	2.681	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)[NH+]3CCCC3)ccc21	ZINC000009135527	132227396	/nfs/dbraw/zinc/22/73/96/132227396.db2.gz	ZRWVWYUIQJBMPF-HSZRJFAPSA-N	1	0	438.547	2.778	50	10		IFCARO
CCc1nc(SC)ncc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000006900300	132280037	/nfs/dbraw/zinc/28/00/37/132280037.db2.gz	BZQYGLQSCRRZGA-UHFFFAOYSA-N	1	0	429.590	2.712	50	10		IFCARO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000009135493	132306282	/nfs/dbraw/zinc/30/62/82/132306282.db2.gz	JGCAQIMOMLIEIP-DEOSSOPVSA-N	1	0	434.584	2.947	50	10		IFCARO
CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1C	ZINC000009252062	132311174	/nfs/dbraw/zinc/31/11/74/132311174.db2.gz	OABGEEANACQDTI-UHFFFAOYSA-N	1	0	442.560	2.759	50	10		IFCARO
COC(=O)c1cc2ccccc2c(C[NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)c1O	ZINC000022807578	521920498	/nfs/dbraw/zinc/92/04/98/521920498.db2.gz	JFVLMNVZBLROSF-UHFFFAOYSA-N	1	0	449.555	2.968	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CC[NH+](C)CC3)ccc21	ZINC000022733699	523998328	/nfs/dbraw/zinc/99/83/28/523998328.db2.gz	TWSUQZYMXDBQBY-HSZRJFAPSA-N	1	0	446.551	2.504	50	10		IFCARO
CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022735785	524014085	/nfs/dbraw/zinc/01/40/85/524014085.db2.gz	STFUDUOYJCDYJC-DEOSSOPVSA-N	1	0	442.629	2.508	50	10		IFCARO
Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1	ZINC000022589520	524192808	/nfs/dbraw/zinc/19/28/08/524192808.db2.gz	KNJDYJZBVNCTMZ-QFIPXVFZSA-N	1	0	430.618	2.636	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1	ZINC000004330820	556339341	/nfs/dbraw/zinc/33/93/41/556339341.db2.gz	RQCPURVCMWGSLI-HXUWFJFHSA-N	1	0	425.489	2.553	50	10		IFCARO
CCOc1cccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1O	ZINC000039531091	556629598	/nfs/dbraw/zinc/62/95/98/556629598.db2.gz	TWDUUARSIQBDEH-HXUWFJFHSA-N	1	0	430.545	2.877	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)[NH+]2CCCC2)cc1	ZINC000005340666	556766598	/nfs/dbraw/zinc/76/65/98/556766598.db2.gz	VNVTYFWYPCNWHB-NRFANRHFSA-N	1	0	428.964	2.976	50	10		IFCARO
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013008104	569306614	/nfs/dbraw/zinc/30/66/14/569306614.db2.gz	IHCVWSGEFUURLY-QFIPXVFZSA-N	1	0	436.556	2.969	50	10		IFCARO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000096234480	569387869	/nfs/dbraw/zinc/38/78/69/569387869.db2.gz	RTLHNQFTOONIBD-UHFFFAOYSA-N	1	0	430.393	2.741	50	10		IFCARO
CC(=O)N1CCc2[nH]c3ccc(C(=O)NCc4ccc(N5CC[NH+](C)CC5)cc4)cc3c2C1	ZINC000096363714	569397681	/nfs/dbraw/zinc/39/76/81/569397681.db2.gz	HKWZRJATPNJXCK-UHFFFAOYSA-N	1	0	445.567	2.754	50	10		IFCARO
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963992	569491182	/nfs/dbraw/zinc/49/11/82/569491182.db2.gz	RJZPQOGNSOCCQE-IBGZPJMESA-N	1	0	430.936	2.699	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+]3CCCC3)ccc21	ZINC000008964104	569491216	/nfs/dbraw/zinc/49/12/16/569491216.db2.gz	FJWTUFTYUXBPBP-NRFANRHFSA-N	1	0	428.483	2.849	50	10		IFCARO
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000010188281	569578873	/nfs/dbraw/zinc/57/88/73/569578873.db2.gz	OIMFHTLCAYAOPG-JOCHJYFZSA-N	1	0	437.544	2.603	50	10		IFCARO
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)no1	ZINC000009138090	132227049	/nfs/dbraw/zinc/22/70/49/132227049.db2.gz	UBELLZMGAJNZQF-HXUWFJFHSA-N	1	0	425.533	2.647	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1	ZINC000022589082	522240962	/nfs/dbraw/zinc/24/09/62/522240962.db2.gz	XIEJOOLFHKGMHD-JOCHJYFZSA-N	1	0	430.980	2.890	50	10		IFCARO
COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc(OC)c1	ZINC000022418625	522695740	/nfs/dbraw/zinc/69/57/40/522695740.db2.gz	ZFTRZAAITUIJBK-QHCPKHFHSA-N	1	0	441.576	2.880	50	10		IFCARO
CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022735811	523999158	/nfs/dbraw/zinc/99/91/58/523999158.db2.gz	HMOSTTGCHSKSEY-QFIPXVFZSA-N	1	0	449.020	2.599	50	10		IFCARO
CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)s1	ZINC000022735852	524014656	/nfs/dbraw/zinc/01/46/56/524014656.db2.gz	MZJWHKFJXQBQFP-OAQYLSRUSA-N	1	0	448.658	2.570	50	10		IFCARO
COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000021042708	524877246	/nfs/dbraw/zinc/87/72/46/524877246.db2.gz	SYWWGLYNEJOXGD-FQEVSTJZSA-N	1	0	433.574	2.885	50	10		IFCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCC3)ccc21	ZINC000009135668	536397320	/nfs/dbraw/zinc/39/73/20/536397320.db2.gz	SWSDAEMVHKELIK-DEOSSOPVSA-N	1	0	434.584	2.681	50	10		IFCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3nccs3)[NH+]3CCCCC3)ccc21	ZINC000009165285	536397338	/nfs/dbraw/zinc/39/73/38/536397338.db2.gz	JVQYRPHNOJKRQY-IBGZPJMESA-N	1	0	427.574	2.807	50	10		IFCARO
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000009135738	537078040	/nfs/dbraw/zinc/07/80/40/537078040.db2.gz	MQTGHNVYYFTPDV-QFIPXVFZSA-N	1	0	436.556	2.969	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1	ZINC000004330828	556339444	/nfs/dbraw/zinc/33/94/44/556339444.db2.gz	RQCPURVCMWGSLI-FQEVSTJZSA-N	1	0	425.489	2.553	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1	ZINC000004330781	556339497	/nfs/dbraw/zinc/33/94/97/556339497.db2.gz	RJLPAATVHKSPPK-HXUWFJFHSA-N	1	0	425.489	2.553	50	10		IFCARO
COc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1O	ZINC000011788336	556354586	/nfs/dbraw/zinc/35/45/86/556354586.db2.gz	ADTSMZIKICHRCS-QGZVFWFLSA-N	1	0	435.528	2.850	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNc3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	ZINC000028743047	556460179	/nfs/dbraw/zinc/46/01/79/556460179.db2.gz	NJSWBMYHNWABCZ-UHFFFAOYSA-N	1	0	435.454	2.776	50	10		IFCARO
[NH2+]=c1c2c(=O)c3ccccc3c(=O)c=2cc/c1=N/c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000048523801	556700229	/nfs/dbraw/zinc/70/02/29/556700229.db2.gz	UZTZPDFMXHGRKU-LWJIOWBGSA-N	1	0	442.430	2.648	50	10		IFCARO
COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCCC1	ZINC000013008101	569306426	/nfs/dbraw/zinc/30/64/26/569306426.db2.gz	IHCVWSGEFUURLY-JOCHJYFZSA-N	1	0	436.556	2.969	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007871	569306432	/nfs/dbraw/zinc/30/64/32/569306432.db2.gz	PGLCBJVSJDUCCC-QHCPKHFHSA-N	1	0	436.556	2.969	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+]3CCCC3)ccc21	ZINC000008964105	569491170	/nfs/dbraw/zinc/49/11/70/569491170.db2.gz	OSZHVWOYNFQHGH-OAQYLSRUSA-N	1	0	428.483	2.849	50	10		IFCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1	ZINC000009526968	569544565	/nfs/dbraw/zinc/54/45/65/569544565.db2.gz	FPFKPFYNODOUAS-HXUWFJFHSA-N	1	0	431.558	2.639	50	10		IFCARO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000009135494	132306237	/nfs/dbraw/zinc/30/62/37/132306237.db2.gz	JGCAQIMOMLIEIP-XMMPIXPASA-N	1	0	434.584	2.947	50	10		IFCARO
COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1O	ZINC000012158898	523914590	/nfs/dbraw/zinc/91/45/90/523914590.db2.gz	OLKUXYKSXKSESJ-APWZRJJASA-N	1	0	426.542	2.766	50	10		IFCARO
CCCC(=O)N(CC[NH+](C)C)Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC	ZINC000034921499	555931838	/nfs/dbraw/zinc/93/18/38/555931838.db2.gz	YIZAOPPXWRJEHJ-UHFFFAOYSA-N	1	0	427.611	2.952	50	10		IFCARO
O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013894844	556328642	/nfs/dbraw/zinc/32/86/42/556328642.db2.gz	GIXDESOSSQSRAJ-UHFFFAOYSA-N	1	0	437.540	2.677	50	10		IFCARO
CCOc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1O	ZINC000012005084	556386330	/nfs/dbraw/zinc/38/63/30/556386330.db2.gz	HCHSWAXEIZPHLX-IBGZPJMESA-N	1	0	442.560	2.776	50	10		IFCARO
CC(NCCN1CC[NH2+]CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000019944161	556954299	/nfs/dbraw/zinc/95/42/99/556954299.db2.gz	MOGCOLZQXKEOMD-FXBPSFAMSA-N	1	0	446.580	2.816	50	10		IFCARO
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000048356388	557073268	/nfs/dbraw/zinc/07/32/68/557073268.db2.gz	ALFWNHGYEQPIAJ-GOSISDBHSA-N	1	0	444.601	2.616	50	10		IFCARO
Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@@H]2CCO)o1	ZINC000023372948	568613333	/nfs/dbraw/zinc/61/33/33/568613333.db2.gz	HLLNPMTZGNNLHR-NRFANRHFSA-N	1	0	427.545	2.854	50	10		IFCARO
Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]2CCO)o1	ZINC000104643615	568837138	/nfs/dbraw/zinc/83/71/38/568837138.db2.gz	HLLNPMTZGNNLHR-OAQYLSRUSA-N	1	0	427.545	2.854	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)NCCCc3ccccc3)N3CC[NH+](C)CC3)ccc21	ZINC000038517981	569463135	/nfs/dbraw/zinc/46/31/35/569463135.db2.gz	RGWMQWUOOHCVJN-RUZDIDTESA-N	1	0	435.616	2.899	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+]3CCCC3)ccc21	ZINC000008964176	569491196	/nfs/dbraw/zinc/49/11/96/569491196.db2.gz	MISFBMFWYLADIM-QFIPXVFZSA-N	1	0	440.975	2.902	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OC	ZINC000010188291	569578858	/nfs/dbraw/zinc/57/88/58/569578858.db2.gz	DLHBESYBTKFBRN-FQEVSTJZSA-N	1	0	440.544	2.662	50	10		IFCARO
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1	ZINC000022418614	522241469	/nfs/dbraw/zinc/24/14/69/522241469.db2.gz	CCTGZKPPOCLXEX-HXUWFJFHSA-N	1	0	425.533	2.592	50	10		IFCARO
CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3Cl)N3CC[NH+](C)CC3)ccc21	ZINC000022735800	523999678	/nfs/dbraw/zinc/99/96/78/523999678.db2.gz	WADKSFFSCSIVLJ-NRFANRHFSA-N	1	0	449.020	2.599	50	10		IFCARO
CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000012433486	524031696	/nfs/dbraw/zinc/03/16/96/524031696.db2.gz	LWJYVOXRWFCGGM-UHFFFAOYSA-N	1	0	427.936	2.816	50	10		IFCARO
Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000022664993	524095512	/nfs/dbraw/zinc/09/55/12/524095512.db2.gz	RJBANRGMSUJFNJ-JOCHJYFZSA-N	1	0	425.533	2.688	50	10		IFCARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022734875	525390003	/nfs/dbraw/zinc/39/00/03/525390003.db2.gz	DMUVDYJEPLQMRH-RUZDIDTESA-N	1	0	436.600	2.861	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000009135498	536741699	/nfs/dbraw/zinc/74/16/99/536741699.db2.gz	KFFVCHVBYJYZGO-HSZRJFAPSA-N	1	0	436.556	2.969	50	10		IFCARO
COC(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1	ZINC000055225734	556738191	/nfs/dbraw/zinc/73/81/91/556738191.db2.gz	UDJTUGPQVMKTPS-JOCHJYFZSA-N	1	0	437.540	2.909	50	10		IFCARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1Cc1ccccc1Cl	ZINC000023362454	557350909	/nfs/dbraw/zinc/35/09/09/557350909.db2.gz	IFFKDSQLPUTNFE-REWPJTCUSA-N	1	0	445.007	2.901	50	10		IFCARO
COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1	ZINC000013008034	569306399	/nfs/dbraw/zinc/30/63/99/569306399.db2.gz	PDFUUFMIARCCIZ-HSZRJFAPSA-N	1	0	436.556	2.969	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1OC	ZINC000008798785	569476383	/nfs/dbraw/zinc/47/63/83/569476383.db2.gz	VYLZNQQCTSUCIA-HXUWFJFHSA-N	1	0	433.574	2.667	50	10		IFCARO
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008964209	569491156	/nfs/dbraw/zinc/49/11/56/569491156.db2.gz	RFNMCYJMZPHYQQ-QHCPKHFHSA-N	1	0	449.555	2.529	50	10		IFCARO
CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008964069	569491218	/nfs/dbraw/zinc/49/12/18/569491218.db2.gz	YFSLGPINFBBLBX-QHCPKHFHSA-N	1	0	436.556	2.969	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+](C)C)ccc21	ZINC000009135436	132227353	/nfs/dbraw/zinc/22/73/53/132227353.db2.gz	LNUMSJJPTOBQCS-OAQYLSRUSA-N	1	0	428.964	2.758	50	10		IFCARO
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c2ccccc2n1	ZINC000013008698	132342144	/nfs/dbraw/zinc/34/21/44/132342144.db2.gz	RSUDSOLCLVRZFA-DEOSSOPVSA-N	1	0	445.567	2.705	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CC[NH+](C)CC3)ccc21	ZINC000022733696	523999226	/nfs/dbraw/zinc/99/92/26/523999226.db2.gz	TWSUQZYMXDBQBY-QHCPKHFHSA-N	1	0	446.551	2.504	50	10		IFCARO
Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1	ZINC000022589526	524192868	/nfs/dbraw/zinc/19/28/68/524192868.db2.gz	KNJDYJZBVNCTMZ-JOCHJYFZSA-N	1	0	430.618	2.636	50	10		IFCARO
Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022734860	525278661	/nfs/dbraw/zinc/27/86/61/525278661.db2.gz	QIKBMDFEODDPLQ-DEOSSOPVSA-N	1	0	436.600	2.861	50	10		IFCARO
Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000022734863	525279801	/nfs/dbraw/zinc/27/98/01/525279801.db2.gz	QIKBMDFEODDPLQ-XMMPIXPASA-N	1	0	436.600	2.861	50	10		IFCARO
Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022734872	525386284	/nfs/dbraw/zinc/38/62/84/525386284.db2.gz	DMUVDYJEPLQMRH-VWLOTQADSA-N	1	0	436.600	2.861	50	10		IFCARO
O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2)c1ccoc1	ZINC000020448643	526465224	/nfs/dbraw/zinc/46/52/24/526465224.db2.gz	ZBVAFYDXSGPXES-UHFFFAOYSA-N	1	0	434.544	2.502	50	10		IFCARO
COc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1O	ZINC000011788337	556354419	/nfs/dbraw/zinc/35/44/19/556354419.db2.gz	ADTSMZIKICHRCS-KRWDZBQOSA-N	1	0	435.528	2.850	50	10		IFCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)Cn4cc5ccccc5n4)C3)CC2)cc1	ZINC000055131890	556735667	/nfs/dbraw/zinc/73/56/67/556735667.db2.gz	LULXWMMIYCFROU-QFIPXVFZSA-N	1	0	433.556	2.858	50	10		IFCARO
CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NCc1ccc(N3CC[NH+](C)CC3)cc1)C2	ZINC000065273109	569129227	/nfs/dbraw/zinc/12/92/27/569129227.db2.gz	QJNLXTYRGIWYAQ-SFHVURJKSA-N	1	0	440.613	2.623	50	10		IFCARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OC	ZINC000010188290	569578837	/nfs/dbraw/zinc/57/88/37/569578837.db2.gz	DLHBESYBTKFBRN-HXUWFJFHSA-N	1	0	440.544	2.662	50	10		IFCARO
CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3Cl)N3CC[NH+](C)CC3)ccc21	ZINC000022735802	523998081	/nfs/dbraw/zinc/99/80/81/523998081.db2.gz	WADKSFFSCSIVLJ-OAQYLSRUSA-N	1	0	449.020	2.599	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CC[NH+](C)CC3)ccc21	ZINC000035597257	523999346	/nfs/dbraw/zinc/99/93/46/523999346.db2.gz	RMVLUPJKPRSZLO-NRFANRHFSA-N	1	0	437.544	2.518	50	10		IFCARO
Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1	ZINC000022734869	524717876	/nfs/dbraw/zinc/71/78/76/524717876.db2.gz	PEQQOXIKICUXRQ-RUZDIDTESA-N	1	0	436.600	2.861	50	10		IFCARO
COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)c1OC	ZINC000022418638	526191910	/nfs/dbraw/zinc/19/19/10/526191910.db2.gz	MLVXNWINPSTVMB-NRFANRHFSA-N	1	0	441.576	2.880	50	10		IFCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)[NH+](C)C)ccc21	ZINC000009135437	536123932	/nfs/dbraw/zinc/12/39/32/536123932.db2.gz	LNUMSJJPTOBQCS-NRFANRHFSA-N	1	0	428.964	2.758	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3COc4ccc(OC)cc4C3)CC2)cc1	ZINC000008610501	536695741	/nfs/dbraw/zinc/69/57/41/536695741.db2.gz	MZSLLJVVMBILGD-FQEVSTJZSA-N	1	0	439.556	2.583	50	10		IFCARO
COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1	ZINC000097033753	556979419	/nfs/dbraw/zinc/97/94/19/556979419.db2.gz	JUGVMLWPMMVLQJ-FQEVSTJZSA-N	1	0	431.602	2.659	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)onc3-c3ccncc3)CC2)cc1	ZINC000035478627	568882740	/nfs/dbraw/zinc/88/27/40/568882740.db2.gz	NBFNGIFBFURQDD-UHFFFAOYSA-N	1	0	435.528	2.996	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(OC)c1	ZINC000016914805	569166097	/nfs/dbraw/zinc/16/60/97/569166097.db2.gz	JLANDKDLPHRXKN-HXUWFJFHSA-N	1	0	433.574	2.885	50	10		IFCARO
COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1	ZINC000013008037	569306502	/nfs/dbraw/zinc/30/65/02/569306502.db2.gz	PDFUUFMIARCCIZ-QHCPKHFHSA-N	1	0	436.556	2.969	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000013007968	569306505	/nfs/dbraw/zinc/30/65/05/569306505.db2.gz	PMRSUVFBYXVOGY-NRFANRHFSA-N	1	0	426.586	2.700	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000008964036	569491136	/nfs/dbraw/zinc/49/11/36/569491136.db2.gz	FWABTVPQCUYVLR-QFIPXVFZSA-N	1	0	440.975	2.902	50	10		IFCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1	ZINC000009526969	569544560	/nfs/dbraw/zinc/54/45/60/569544560.db2.gz	FPFKPFYNODOUAS-FQEVSTJZSA-N	1	0	431.558	2.639	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1	ZINC000022589076	522247231	/nfs/dbraw/zinc/24/72/31/522247231.db2.gz	XIEJOOLFHKGMHD-QFIPXVFZSA-N	1	0	430.980	2.890	50	10		IFCARO
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1	ZINC000022418612	522248413	/nfs/dbraw/zinc/24/84/13/522248413.db2.gz	CCTGZKPPOCLXEX-FQEVSTJZSA-N	1	0	425.533	2.592	50	10		IFCARO
COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc(OC)c1	ZINC000022418623	522696498	/nfs/dbraw/zinc/69/64/98/522696498.db2.gz	ZFTRZAAITUIJBK-HSZRJFAPSA-N	1	0	441.576	2.880	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CC[NH+](C)CC3)ccc21	ZINC000022734881	523920383	/nfs/dbraw/zinc/92/03/83/523920383.db2.gz	GIDWJTJNSPLATA-HSZRJFAPSA-N	1	0	440.563	2.692	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733601	523997938	/nfs/dbraw/zinc/99/79/38/523997938.db2.gz	GFDYKCDJRLWUAJ-HSZRJFAPSA-N	1	0	442.991	2.816	50	10		IFCARO
COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000021042701	524879412	/nfs/dbraw/zinc/87/94/12/524879412.db2.gz	SYWWGLYNEJOXGD-HXUWFJFHSA-N	1	0	433.574	2.885	50	10		IFCARO
Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1C	ZINC000022589478	525575731	/nfs/dbraw/zinc/57/57/31/525575731.db2.gz	YKRJRGYYWPVRNE-HSZRJFAPSA-N	1	0	430.618	2.636	50	10		IFCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCC3)ccc21	ZINC000009135571	536397486	/nfs/dbraw/zinc/39/74/86/536397486.db2.gz	RLADXZWLTOSVKM-NRFANRHFSA-N	1	0	426.586	2.700	50	10		IFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccc4c(c3)OCCO4)C2)c1	ZINC000002965901	556154561	/nfs/dbraw/zinc/15/45/61/556154561.db2.gz	QKWLUIXVAYCQNA-JOCHJYFZSA-N	1	0	429.518	2.646	50	10		IFCARO
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C	ZINC000009060005	556243572	/nfs/dbraw/zinc/24/35/72/556243572.db2.gz	LIIXTLWPKXXRTL-ZHZULCJRSA-N	1	0	445.520	2.920	50	10		IFCARO
CN(C)c1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	ZINC000299786262	556695474	/nfs/dbraw/zinc/69/54/74/556695474.db2.gz	NDOZJPDXNJDRKV-SNAWJCMRSA-N	1	0	448.546	2.985	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(OC)c1	ZINC000008798880	556846584	/nfs/dbraw/zinc/84/65/84/556846584.db2.gz	BHZVSBQHBMIXTD-FQEVSTJZSA-N	1	0	433.574	2.667	50	10		IFCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1	ZINC000023080612	556997887	/nfs/dbraw/zinc/99/78/87/556997887.db2.gz	HSXSUZJGEGNAAJ-NRFANRHFSA-N	1	0	437.009	2.673	50	10		IFCARO
C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)N1CC[NH+](CCO)CC1	ZINC000025176767	557528768	/nfs/dbraw/zinc/52/87/68/557528768.db2.gz	NYQZRNXZTVDKNH-FXBPSFAMSA-N	1	0	447.564	2.931	50	10		IFCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000013008055	569306387	/nfs/dbraw/zinc/30/63/87/569306387.db2.gz	JAVOVEDHQDIYTI-DEOSSOPVSA-N	1	0	434.584	2.681	50	10		IFCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000013008053	569306416	/nfs/dbraw/zinc/30/64/16/569306416.db2.gz	JAVOVEDHQDIYTI-XMMPIXPASA-N	1	0	434.584	2.681	50	10		IFCARO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007866	569306460	/nfs/dbraw/zinc/30/64/60/569306460.db2.gz	DUNXVZZTEDQQHA-DEOSSOPVSA-N	1	0	434.584	2.947	50	10		IFCARO
COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)CC2)cc1	ZINC000095466767	569371067	/nfs/dbraw/zinc/37/10/67/569371067.db2.gz	CUGWDVAWWONNID-QFIPXVFZSA-N	1	0	449.599	2.934	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(OC)c1	ZINC000008801040	569476444	/nfs/dbraw/zinc/47/64/44/569476444.db2.gz	BPMUFSJVRBTNGH-OAQYLSRUSA-N	1	0	445.585	2.812	50	10		IFCARO
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963991	569491154	/nfs/dbraw/zinc/49/11/54/569491154.db2.gz	RJZPQOGNSOCCQE-LJQANCHMSA-N	1	0	430.936	2.699	50	10		IFCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCC3)ccc21	ZINC000009135570	132227442	/nfs/dbraw/zinc/22/74/42/132227442.db2.gz	RLADXZWLTOSVKM-OAQYLSRUSA-N	1	0	426.586	2.700	50	10		IFCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1	ZINC000009919391	536696179	/nfs/dbraw/zinc/69/61/79/536696179.db2.gz	VREMKHWENGZSIO-UHFFFAOYSA-N	1	0	440.569	2.682	50	10		IFCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccc4c(c3)OCCO4)C2)c1	ZINC000002965900	556154190	/nfs/dbraw/zinc/15/41/90/556154190.db2.gz	QKWLUIXVAYCQNA-QFIPXVFZSA-N	1	0	429.518	2.646	50	10		IFCARO
O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)ccc3O)C2)nc1	ZINC000049421002	557107413	/nfs/dbraw/zinc/10/74/13/557107413.db2.gz	FJWWNCTWUIXAKZ-KRWDZBQOSA-N	1	0	431.334	2.810	50	10		IFCARO
CC(NCCN1CC[NH2+]CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000100095591	557292438	/nfs/dbraw/zinc/29/24/38/557292438.db2.gz	MOGCOLZQXKEOMD-HEHNFIMWSA-N	1	0	446.580	2.816	50	10		IFCARO
COc1ccc(N2CCN(c3nc(C(=O)N4CC[NH+](CC(C)C)CC4)cs3)CC2)cc1	ZINC000065211546	569116557	/nfs/dbraw/zinc/11/65/57/569116557.db2.gz	KAACDHCDCGFRPC-UHFFFAOYSA-N	1	0	443.617	2.892	50	10		IFCARO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000013007865	569306376	/nfs/dbraw/zinc/30/63/76/569306376.db2.gz	DUNXVZZTEDQQHA-XMMPIXPASA-N	1	0	434.584	2.947	50	10		IFCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1OC	ZINC000008798786	569476380	/nfs/dbraw/zinc/47/63/80/569476380.db2.gz	VYLZNQQCTSUCIA-FQEVSTJZSA-N	1	0	433.574	2.667	50	10		IFCARO
CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008964180	569491174	/nfs/dbraw/zinc/49/11/74/569491174.db2.gz	WIRWRMDTAMYVPT-JOCHJYFZSA-N	1	0	436.556	2.969	50	10		IFCARO
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000010188280	569578868	/nfs/dbraw/zinc/57/88/68/569578868.db2.gz	OIMFHTLCAYAOPG-QFIPXVFZSA-N	1	0	437.544	2.603	50	10		IFCARO