smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[NH+]2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)c(O)c1	ZINC000012027195	556388075	/nfs/dbraw/zinc/38/80/75/556388075.db2.gz	YNMGPIRALDNCQC-UHFFFAOYSA-N	1	0	426.513	3.345	50	10		IGCARO
COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O	ZINC000299764638	556695200	/nfs/dbraw/zinc/69/52/00/556695200.db2.gz	BEBIJPWPTHENHJ-HSZRJFAPSA-N	1	0	449.595	3.347	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@]45[C@@H]6O[C@]6(C)CC[C@H]4[C@H](C)CC[C@@H]35)CC2)cc1	ZINC000061997604	556763677	/nfs/dbraw/zinc/76/36/77/556763677.db2.gz	BALNINAJAHCEHC-FWKVPWGDSA-N	1	0	440.584	3.343	50	10		IGCARO
C[NH+](C)CCOC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000001792441	568907976	/nfs/dbraw/zinc/90/79/76/568907976.db2.gz	VHGWZOGCWPNMEG-KAMYIIQDSA-N	1	0	443.388	3.145	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+]3CCCCC3)ccc21	ZINC000013007994	569306403	/nfs/dbraw/zinc/30/64/03/569306403.db2.gz	DJLKPSPTBPHKBO-QFIPXVFZSA-N	1	0	442.510	3.239	50	10		IGCARO
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008801039	569476477	/nfs/dbraw/zinc/47/64/77/569476477.db2.gz	QKBRJUALQCXBSJ-JOCHJYFZSA-N	1	0	443.613	3.420	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000009138307	132227029	/nfs/dbraw/zinc/22/70/29/132227029.db2.gz	GGVISARLAQGZFV-HSZRJFAPSA-N	1	0	438.547	3.490	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1F	ZINC000009135605	132306226	/nfs/dbraw/zinc/30/62/26/132306226.db2.gz	NJZIHPAHEWCXLT-QHCPKHFHSA-N	1	0	438.547	3.408	50	10		IGCARO
CCOc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000035597262	521543252	/nfs/dbraw/zinc/54/32/52/521543252.db2.gz	COTOECLHOCQZGZ-HSZRJFAPSA-N	1	0	437.588	3.188	50	10		IGCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(OC)cc(OC)c4)C3)CC2)cc1	ZINC000020295883	557006346	/nfs/dbraw/zinc/00/63/46/557006346.db2.gz	YUOHWRYUYUIOBJ-QFIPXVFZSA-N	1	0	425.573	3.499	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1F	ZINC000013008016	569306474	/nfs/dbraw/zinc/30/64/74/569306474.db2.gz	CYUTZAJGDSDWQT-HSZRJFAPSA-N	1	0	438.547	3.408	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@H]34)CC2)cc1	ZINC000059410079	569461184	/nfs/dbraw/zinc/46/11/84/569461184.db2.gz	BTDFXRGYBMACRJ-YPROMPOGSA-N	1	0	440.584	3.344	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009138402	132227008	/nfs/dbraw/zinc/22/70/08/132227008.db2.gz	NLZDHBXIWHJGTI-RUZDIDTESA-N	1	0	448.611	3.071	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1F	ZINC000009135608	132306216	/nfs/dbraw/zinc/30/62/16/132306216.db2.gz	NJZIHPAHEWCXLT-HSZRJFAPSA-N	1	0	438.547	3.408	50	10		IGCARO
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022589156	524197218	/nfs/dbraw/zinc/19/72/18/524197218.db2.gz	UUYYEVFHNWLELS-NRFANRHFSA-N	1	0	430.980	3.133	50	10		IGCARO
COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000035597189	524615214	/nfs/dbraw/zinc/61/52/14/524615214.db2.gz	JIWSTFDUWFKRIF-QHCPKHFHSA-N	1	0	437.588	3.188	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)[NH+](C)C)ccc21	ZINC000009135461	536124942	/nfs/dbraw/zinc/12/49/42/536124942.db2.gz	OBORKUYRPBWPRM-FQEVSTJZSA-N	1	0	448.489	3.445	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCCC3)ccc21	ZINC000023858054	557376708	/nfs/dbraw/zinc/37/67/08/557376708.db2.gz	USHAJMOOGAOJHE-QHCPKHFHSA-N	1	0	426.605	3.161	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+]3CCCC3)ccc21	ZINC000008964101	569491190	/nfs/dbraw/zinc/49/11/90/569491190.db2.gz	UZPWSOVFOSBAIB-OAQYLSRUSA-N	1	0	444.938	3.363	50	10		IGCARO
COc1ccc([C@@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000009469217	132318682	/nfs/dbraw/zinc/31/86/82/132318682.db2.gz	NLPHMQUSHFRNAR-XMMPIXPASA-N	1	0	438.572	3.373	50	10		IGCARO
CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CC[NH+](C)CC2)cc1	ZINC000022664980	522247133	/nfs/dbraw/zinc/24/71/33/522247133.db2.gz	UDABMIFVAPJKOU-NRFANRHFSA-N	1	0	445.951	3.033	50	10		IGCARO
C[N@H+]([C@@H]1CCOC1)C1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1	ZINC000012246699	523627018	/nfs/dbraw/zinc/62/70/18/523627018.db2.gz	OPWZMBSXVMVMJD-OAQYLSRUSA-N	1	0	433.549	3.316	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3C(F)(F)F)N3CC[NH+](C)CC3)ccc21	ZINC000022733670	523998541	/nfs/dbraw/zinc/99/85/41/523998541.db2.gz	MBJUYLBWVDNCPR-JOCHJYFZSA-N	1	0	446.517	3.416	50	10		IGCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)c1	ZINC000002965885	556154158	/nfs/dbraw/zinc/15/41/58/556154158.db2.gz	YNTYQROMCMVVLH-NRFANRHFSA-N	1	0	437.488	3.476	50	10		IGCARO
COc1cccc(C[NH+]2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c1O	ZINC000011788181	556354446	/nfs/dbraw/zinc/35/44/46/556354446.db2.gz	AVSQNMAJEFACDY-SANMLTNESA-N	1	0	449.551	3.091	50	10		IGCARO
Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4cc(Cl)ccc4O)CC3)O2)n(C)n1	ZINC000014880308	556453152	/nfs/dbraw/zinc/45/31/52/556453152.db2.gz	GZSKSZJRMXMUQI-SFHVURJKSA-N	1	0	432.952	3.031	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+]3CCCCC3)ccc21	ZINC000023858037	557376585	/nfs/dbraw/zinc/37/65/85/557376585.db2.gz	IVRJEMQPWJNNHG-QFIPXVFZSA-N	1	0	442.510	3.239	50	10		IGCARO
COc1ccc(S[C@@H]2C[C@@H](C(=O)NC3CC3)[N@H+](Cc3ccc(OC)cc3O)C2)cc1	ZINC000014989308	569256775	/nfs/dbraw/zinc/25/67/75/569256775.db2.gz	JUCAMEZCPVQVQR-RTWAWAEBSA-N	1	0	428.554	3.423	50	10		IGCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000008801596	569476434	/nfs/dbraw/zinc/47/64/34/569476434.db2.gz	OEURIJMSZMXLFL-HSZRJFAPSA-N	1	0	429.586	3.193	50	10		IGCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C	ZINC000008801006	569476449	/nfs/dbraw/zinc/47/64/49/569476449.db2.gz	ZAQKESIUMRNCOS-QFIPXVFZSA-N	1	0	429.586	3.111	50	10		IGCARO
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135425	132227411	/nfs/dbraw/zinc/22/74/11/132227411.db2.gz	YIOXZJWOVJHJRS-OAQYLSRUSA-N	1	0	428.964	3.388	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCC3)ccc21	ZINC000009135576	132306284	/nfs/dbraw/zinc/30/62/84/132306284.db2.gz	UIHFNHITQAVUJX-XMMPIXPASA-N	1	0	438.616	3.329	50	10		IGCARO
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1	ZINC000013008587	132341879	/nfs/dbraw/zinc/34/18/79/132341879.db2.gz	XSHMIAIQDIQYNH-OAQYLSRUSA-N	1	0	426.586	3.149	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21	ZINC000009135602	536397254	/nfs/dbraw/zinc/39/72/54/536397254.db2.gz	QQTLLSHDQDMUSS-QFIPXVFZSA-N	1	0	442.510	3.239	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009138027	536397638	/nfs/dbraw/zinc/39/76/38/536397638.db2.gz	FPBHMEZGQHEGAH-DEOSSOPVSA-N	1	0	434.584	3.029	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000009138310	536397758	/nfs/dbraw/zinc/39/77/58/536397758.db2.gz	GGVISARLAQGZFV-QHCPKHFHSA-N	1	0	438.547	3.490	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21	ZINC000013008012	569306410	/nfs/dbraw/zinc/30/64/10/569306410.db2.gz	UVNNIPFYESNZFW-JOCHJYFZSA-N	1	0	442.510	3.239	50	10		IGCARO
Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(C)c1	ZINC000008964168	569491148	/nfs/dbraw/zinc/49/11/48/569491148.db2.gz	DEALPJQLLCGPRX-HSZRJFAPSA-N	1	0	434.584	3.496	50	10		IGCARO
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CC[NH+](C)CC2)cc1	ZINC000022664975	522248594	/nfs/dbraw/zinc/24/85/94/522248594.db2.gz	BYIBHSVUIBZTLC-NRFANRHFSA-N	1	0	445.951	3.033	50	10		IGCARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cc(OC)ccc3O)CC2)c(Cl)c1	ZINC000012453082	523925926	/nfs/dbraw/zinc/92/59/26/523925926.db2.gz	LBACNKNXXYQHGH-UHFFFAOYSA-N	1	0	448.947	3.474	50	10		IGCARO
COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	ZINC000035597190	524614918	/nfs/dbraw/zinc/61/49/18/524614918.db2.gz	JIWSTFDUWFKRIF-HSZRJFAPSA-N	1	0	437.588	3.188	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@]45[C@@H]6O[C@]6(C)CC[C@H]4[C@H](C)CC[C@@H]35)CC2)cc1	ZINC000061997605	556763750	/nfs/dbraw/zinc/76/37/50/556763750.db2.gz	BALNINAJAHCEHC-HQFNZAIZSA-N	1	0	440.584	3.343	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@@]6(C)CC[C@@H]4[C@H](C)CC[C@@H]35)CC2)cc1	ZINC000253486911	569283016	/nfs/dbraw/zinc/28/30/16/569283016.db2.gz	BALNINAJAHCEHC-KGBYIVNCSA-N	1	0	440.584	3.343	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)CC2)cc1	ZINC000059409265	569461208	/nfs/dbraw/zinc/46/12/08/569461208.db2.gz	BTDFXRGYBMACRJ-MOHLLJBMSA-N	1	0	440.584	3.344	50	10		IGCARO
CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008801022	569476459	/nfs/dbraw/zinc/47/64/59/569476459.db2.gz	UDHTWHLZLXZJHE-QHCPKHFHSA-N	1	0	429.586	3.193	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000008963928	569491208	/nfs/dbraw/zinc/49/12/08/569491208.db2.gz	DUJIFANKIZWXCO-IBGZPJMESA-N	1	0	434.462	3.055	50	10		IGCARO
Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000040425304	569502883	/nfs/dbraw/zinc/50/28/83/569502883.db2.gz	PXIWBJYJQYSVNI-UHFFFAOYSA-N	1	0	445.523	3.137	50	10		IGCARO
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)[NH+](C)C)cc1	ZINC000009526967	569544605	/nfs/dbraw/zinc/54/46/05/569544605.db2.gz	MESKLDPKGGMCCG-SFHVURJKSA-N	1	0	426.380	3.096	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCCC3)ccc21	ZINC000009138311	132227045	/nfs/dbraw/zinc/22/70/45/132227045.db2.gz	KJYSYAKBOFMAAZ-HSZRJFAPSA-N	1	0	438.547	3.490	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3C(F)(F)F)N3CC[NH+](C)CC3)ccc21	ZINC000022733667	523999447	/nfs/dbraw/zinc/99/94/47/523999447.db2.gz	MBJUYLBWVDNCPR-QFIPXVFZSA-N	1	0	446.517	3.416	50	10		IGCARO
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2	ZINC000011840756	556364811	/nfs/dbraw/zinc/36/48/11/556364811.db2.gz	AVVOBYHWXNPXBI-FQEVSTJZSA-N	1	0	446.599	3.212	50	10		IGCARO
Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4cc(Cl)ccc4O)CC3)O2)n(C)n1	ZINC000014880310	556453176	/nfs/dbraw/zinc/45/31/76/556453176.db2.gz	GZSKSZJRMXMUQI-GOSISDBHSA-N	1	0	432.952	3.031	50	10		IGCARO
CCc1nnc2c(NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12	ZINC000016162628	556586712	/nfs/dbraw/zinc/58/67/12/556586712.db2.gz	GMWCLLNNJDDHAE-UHFFFAOYSA-N	1	0	445.571	3.473	50	10		IGCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(OC)cc(OC)c4)C3)CC2)cc1	ZINC000020295879	557006190	/nfs/dbraw/zinc/00/61/90/557006190.db2.gz	YUOHWRYUYUIOBJ-JOCHJYFZSA-N	1	0	425.573	3.499	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCCC3)ccc21	ZINC000013007976	569306424	/nfs/dbraw/zinc/30/64/24/569306424.db2.gz	VHSCLIKKWHVYMN-XMMPIXPASA-N	1	0	438.616	3.329	50	10		IGCARO
COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC	ZINC000009572860	569547797	/nfs/dbraw/zinc/54/77/97/569547797.db2.gz	KETLTLGKZBDCOX-FQEVSTJZSA-N	1	0	442.516	3.245	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1Cl	ZINC000009135452	132227378	/nfs/dbraw/zinc/22/73/78/132227378.db2.gz	LPSYZXMAWLTTCV-NRFANRHFSA-N	1	0	428.964	3.388	50	10		IGCARO
CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022734819	520910583	/nfs/dbraw/zinc/91/05/83/520910583.db2.gz	UOKHJLSAFBWDHJ-RUZDIDTESA-N	1	0	436.600	3.186	50	10		IGCARO
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022733650	524197161	/nfs/dbraw/zinc/19/71/61/524197161.db2.gz	AMDVJZQHVIMPNI-JOCHJYFZSA-N	1	0	442.991	3.059	50	10		IGCARO
COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000035597187	524567412	/nfs/dbraw/zinc/56/74/12/524567412.db2.gz	AODLJNGNQMFPTH-DEOSSOPVSA-N	1	0	437.588	3.188	50	10		IGCARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)c1	ZINC000015001296	556479856	/nfs/dbraw/zinc/47/98/56/556479856.db2.gz	RXTASDDCUCSUDR-GOSISDBHSA-N	1	0	436.556	3.114	50	10		IGCARO
CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1	ZINC000008801023	569476454	/nfs/dbraw/zinc/47/64/54/569476454.db2.gz	UDHTWHLZLXZJHE-HSZRJFAPSA-N	1	0	429.586	3.193	50	10		IGCARO
CCOc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1O	ZINC000009246669	132310590	/nfs/dbraw/zinc/31/05/90/132310590.db2.gz	FQPAWSJMLMMYRB-UHFFFAOYSA-N	1	0	441.547	3.491	50	10		IGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CC[NH+](C)CC2)cc1	ZINC000022664977	522242043	/nfs/dbraw/zinc/24/20/43/522242043.db2.gz	BYIBHSVUIBZTLC-OAQYLSRUSA-N	1	0	445.951	3.033	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3Cl)N3CC[NH+](C)CC3)ccc21	ZINC000022733672	523999510	/nfs/dbraw/zinc/99/95/10/523999510.db2.gz	SPZCCYIAFFZONO-NRFANRHFSA-N	1	0	430.955	3.190	50	10		IGCARO
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022733652	524196836	/nfs/dbraw/zinc/19/68/36/524196836.db2.gz	AMDVJZQHVIMPNI-QFIPXVFZSA-N	1	0	442.991	3.059	50	10		IGCARO
COc1ccc(S[C@@H]2C[C@@H](C(=O)NC3CC3)[N@H+](Cc3cccc(OC)c3O)C2)cc1	ZINC000014961332	556463756	/nfs/dbraw/zinc/46/37/56/556463756.db2.gz	WKSWZTJHTGESCF-UXHICEINSA-N	1	0	428.554	3.423	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)[NH+]3CCCCC3)ccc21	ZINC000023858035	557376642	/nfs/dbraw/zinc/37/66/42/557376642.db2.gz	IVRJEMQPWJNNHG-JOCHJYFZSA-N	1	0	442.510	3.239	50	10		IGCARO
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4c[nH+]c(C5CC5)n4c3C)CC2)cc1	ZINC000096004039	569379245	/nfs/dbraw/zinc/37/92/45/569379245.db2.gz	KNIOFJBKGYLJTE-UHFFFAOYSA-N	1	0	448.523	3.034	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000009138281	536397152	/nfs/dbraw/zinc/39/71/52/536397152.db2.gz	KCCWKPVBAJHMLG-QHCPKHFHSA-N	1	0	438.547	3.490	50	10		IGCARO
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000089873021	569166392	/nfs/dbraw/zinc/16/63/92/569166392.db2.gz	WVYYAUIWKIBPHH-LJQANCHMSA-N	1	0	425.916	3.210	50	10		IGCARO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1	ZINC000170676657	569195362	/nfs/dbraw/zinc/19/53/62/569195362.db2.gz	XHHDSVVMKWMFDW-UHFFFAOYSA-N	1	0	449.408	3.234	50	10		IGCARO
O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2	ZINC000009369196	569526751	/nfs/dbraw/zinc/52/67/51/569526751.db2.gz	NHWSTUXNALXGNK-HXUWFJFHSA-N	1	0	448.362	3.391	50	10		IGCARO
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135443	536570291	/nfs/dbraw/zinc/57/02/91/536570291.db2.gz	YZTBTQBLNRPFOR-FQEVSTJZSA-N	1	0	444.963	3.089	50	10		IGCARO
COc1ccc(N2CC[NH+](CCCNc3nc4ccccc4n4c(C)nnc34)CC2)cc1	ZINC000009405597	536697389	/nfs/dbraw/zinc/69/73/89/536697389.db2.gz	IQFLJVCXBIQRFG-UHFFFAOYSA-N	1	0	431.544	3.219	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)CC2)cc1	ZINC000061991213	556766859	/nfs/dbraw/zinc/76/68/59/556766859.db2.gz	BTDFXRGYBMACRJ-FAXZPQNASA-N	1	0	440.584	3.344	50	10		IGCARO
CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1CO	ZINC000019770451	556912864	/nfs/dbraw/zinc/91/28/64/556912864.db2.gz	GUIQUEODZGTAER-DEOSSOPVSA-N	1	0	439.600	3.373	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@H](O)COCCOc3ccccc3C(C)C)CC2)cc1	ZINC000023224710	557116297	/nfs/dbraw/zinc/11/62/97/557116297.db2.gz	RAWDFDKUMWAASR-QFIPXVFZSA-N	1	0	428.573	3.397	50	10		IGCARO
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1	ZINC000248098708	568633851	/nfs/dbraw/zinc/63/38/51/568633851.db2.gz	ZGMVTIRQWIVYLU-HXUWFJFHSA-N	1	0	447.583	3.143	50	10		IGCARO
COc1ccc(N2CCC[N@H+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)cc1	ZINC000089355987	568921193	/nfs/dbraw/zinc/92/11/93/568921193.db2.gz	JQJNZWWUDDPFOV-UHFFFAOYSA-N	1	0	433.499	3.467	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCCC3)ccc21	ZINC000013007978	569306512	/nfs/dbraw/zinc/30/65/12/569306512.db2.gz	VHSCLIKKWHVYMN-DEOSSOPVSA-N	1	0	438.616	3.329	50	10		IGCARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([N@@H+]3CCCN(C=O)CC3)CC2)c1	ZINC000012338118	524358850	/nfs/dbraw/zinc/35/88/50/524358850.db2.gz	LKSMEJRYYILPKP-UHFFFAOYSA-N	1	0	436.556	3.080	50	10		IGCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3cc(OC)ccc3OC)CC2)cc1	ZINC000006785748	536697318	/nfs/dbraw/zinc/69/73/18/536697318.db2.gz	DYGSCRMKODUTJA-UHFFFAOYSA-N	1	0	428.533	3.046	50	10		IGCARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3c(O)cccc3OC)CC2)c(Cl)c1	ZINC000039363391	556627994	/nfs/dbraw/zinc/62/79/94/556627994.db2.gz	DYLQEIMFRIBYHP-UHFFFAOYSA-N	1	0	448.947	3.474	50	10		IGCARO
COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc(OC)c1OC	ZINC000005097907	556634896	/nfs/dbraw/zinc/63/48/96/556634896.db2.gz	XPNGTGBLPMXSOY-HXUWFJFHSA-N	1	0	427.545	3.345	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)CC2)cc1	ZINC000061992792	556766938	/nfs/dbraw/zinc/76/69/38/556766938.db2.gz	PRAIGGPCHKMTSE-XSWJKVCQSA-N	1	0	440.584	3.343	50	10		IGCARO
COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000019636637	556835554	/nfs/dbraw/zinc/83/55/54/556835554.db2.gz	QJFFEXGEVYMUOG-QNGOZBTKSA-N	1	0	442.560	3.134	50	10		IGCARO
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000089873022	569166363	/nfs/dbraw/zinc/16/63/63/569166363.db2.gz	WVYYAUIWKIBPHH-IBGZPJMESA-N	1	0	425.916	3.210	50	10		IGCARO
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1	ZINC000008801597	569476431	/nfs/dbraw/zinc/47/64/31/569476431.db2.gz	OEURIJMSZMXLFL-QHCPKHFHSA-N	1	0	429.586	3.193	50	10		IGCARO
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc(OC)c1OC	ZINC000008963210	569491099	/nfs/dbraw/zinc/49/10/99/569491099.db2.gz	JDSWGNIVEAFULJ-NRFANRHFSA-N	1	0	439.556	3.272	50	10		IGCARO
COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC	ZINC000009569154	569547620	/nfs/dbraw/zinc/54/76/20/569547620.db2.gz	KETLTLGKZBDCOX-HXUWFJFHSA-N	1	0	442.516	3.245	50	10		IGCARO
COc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1O	ZINC000005583138	132275537	/nfs/dbraw/zinc/27/55/37/132275537.db2.gz	AKNMCHJQPFTJJB-UHFFFAOYSA-N	1	0	427.520	3.101	50	10		IGCARO
CC(C)CN1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F	ZINC000020999469	519732003	/nfs/dbraw/zinc/73/20/03/519732003.db2.gz	HOYBUKLGILFMRT-DHLKQENFSA-N	1	0	440.607	3.439	50	10		IGCARO
CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022733607	519778728	/nfs/dbraw/zinc/77/87/28/519778728.db2.gz	VIBYUQKZLWHUJL-VWLOTQADSA-N	1	0	436.600	3.185	50	10		IGCARO
COc1ccc(CNC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC	ZINC000035597217	524060076	/nfs/dbraw/zinc/06/00/76/524060076.db2.gz	KNTPXOFSRGFLHY-JOCHJYFZSA-N	1	0	438.572	3.332	50	10		IGCARO
COc1ccc(OC)c([N+]2=C3SCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)c1	ZINC000002965886	556154254	/nfs/dbraw/zinc/15/42/54/556154254.db2.gz	YNTYQROMCMVVLH-OAQYLSRUSA-N	1	0	437.488	3.476	50	10		IGCARO
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033647851	556617719	/nfs/dbraw/zinc/61/77/19/556617719.db2.gz	UQENAMQVPJYQNG-BKUYFWCQSA-N	1	0	429.480	3.329	50	10		IGCARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+]2CCN(CCO)CC2)c2ccccc12	ZINC000101363266	557277152	/nfs/dbraw/zinc/27/71/52/557277152.db2.gz	JLZJXXVBNHJGPJ-JJIBRWJFSA-N	1	0	443.551	3.015	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)[NH+]3CCCCC3)ccc21	ZINC000013007991	569306467	/nfs/dbraw/zinc/30/64/67/569306467.db2.gz	DJLKPSPTBPHKBO-JOCHJYFZSA-N	1	0	442.510	3.239	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)[NH+](C)C)ccc21	ZINC000008964009	569491200	/nfs/dbraw/zinc/49/12/00/569491200.db2.gz	QRTXKGLDGBJDRZ-LJQANCHMSA-N	1	0	434.462	3.055	50	10		IGCARO
Cc1ccccc1N1C(=O)C(=CNCCC[NH+](C)C)C(=O)N(c2ccccc2C)C1=S	ZINC000001778144	132246644	/nfs/dbraw/zinc/24/66/44/132246644.db2.gz	XBSOESFKRZHJKJ-UHFFFAOYSA-N	1	0	436.581	3.393	50	10		IGCARO
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000013008609	132342137	/nfs/dbraw/zinc/34/21/37/132342137.db2.gz	BKNRDNMTMYWGLG-HXUWFJFHSA-N	1	0	426.586	3.149	50	10		IGCARO
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000035597261	521540235	/nfs/dbraw/zinc/54/02/35/521540235.db2.gz	COTOECLHOCQZGZ-QHCPKHFHSA-N	1	0	437.588	3.188	50	10		IGCARO
O=S(=O)(Nc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1	ZINC000034682160	555815930	/nfs/dbraw/zinc/81/59/30/555815930.db2.gz	QQUMDWYFCCKTIA-UHFFFAOYSA-N	1	0	442.516	3.049	50	10		IGCARO
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc(OC)c1OC	ZINC000008963209	569491037	/nfs/dbraw/zinc/49/10/37/569491037.db2.gz	JDSWGNIVEAFULJ-OAQYLSRUSA-N	1	0	439.556	3.272	50	10		IGCARO
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+]2CCCC2)cc1	ZINC000010188287	569578875	/nfs/dbraw/zinc/57/88/75/569578875.db2.gz	MDXQEJBNXBXPRT-FQEVSTJZSA-N	1	0	432.927	3.437	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)[NH+](C)C)ccc21	ZINC000009135460	132227404	/nfs/dbraw/zinc/22/74/04/132227404.db2.gz	OBORKUYRPBWPRM-HXUWFJFHSA-N	1	0	448.489	3.445	50	10		IGCARO
CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022418619	521543131	/nfs/dbraw/zinc/54/31/31/521543131.db2.gz	OVDMWXCMWQYSMN-JOCHJYFZSA-N	1	0	425.577	3.262	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CC[NH+](C)CC3)ccc21	ZINC000022733627	523999598	/nfs/dbraw/zinc/99/95/98/523999598.db2.gz	VDFATFVHQQMYOW-QFIPXVFZSA-N	1	0	446.517	3.416	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)[NH+]3CCCCC3)ccc21	ZINC000009138313	536397763	/nfs/dbraw/zinc/39/77/63/536397763.db2.gz	KJYSYAKBOFMAAZ-QHCPKHFHSA-N	1	0	438.547	3.490	50	10		IGCARO
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135442	536570387	/nfs/dbraw/zinc/57/03/87/536570387.db2.gz	YZTBTQBLNRPFOR-HXUWFJFHSA-N	1	0	444.963	3.089	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)[NH+](C)C)ccc21	ZINC000008964010	569491192	/nfs/dbraw/zinc/49/11/92/569491192.db2.gz	QRTXKGLDGBJDRZ-IBGZPJMESA-N	1	0	434.462	3.055	50	10		IGCARO
O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Br)cc2)C2=[N+]1CCCS2	ZINC000009369197	569526750	/nfs/dbraw/zinc/52/67/50/569526750.db2.gz	NHWSTUXNALXGNK-FQEVSTJZSA-N	1	0	448.362	3.391	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009138024	132306473	/nfs/dbraw/zinc/30/64/73/132306473.db2.gz	FPBHMEZGQHEGAH-XMMPIXPASA-N	1	0	434.584	3.029	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733647	523998520	/nfs/dbraw/zinc/99/85/20/523998520.db2.gz	YSYWMTVUGSVVBU-JOCHJYFZSA-N	1	0	446.517	3.416	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]34)CC2)cc1	ZINC000252694763	524426668	/nfs/dbraw/zinc/42/66/68/524426668.db2.gz	PRAIGGPCHKMTSE-JPOWVWCISA-N	1	0	440.584	3.343	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000013008653	536125030	/nfs/dbraw/zinc/12/50/30/536125030.db2.gz	TYACXBHTQQGOLK-FQEVSTJZSA-N	1	0	448.489	3.445	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCC3)ccc21	ZINC000009135647	536397768	/nfs/dbraw/zinc/39/77/68/536397768.db2.gz	SSLNSTLBLJSGNY-QHCPKHFHSA-N	1	0	426.605	3.161	50	10		IGCARO
CCCc1nc(SC)ncc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000020931892	521534115	/nfs/dbraw/zinc/53/41/15/521534115.db2.gz	JVGBIYNUPDVRFI-UHFFFAOYSA-N	1	0	443.617	3.102	50	10		IGCARO
COc1cccc(C[NH+]2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)c1O	ZINC000013941781	556338714	/nfs/dbraw/zinc/33/87/14/556338714.db2.gz	BTHLZNMGWDFYRH-UHFFFAOYSA-N	1	0	442.556	3.331	50	10		IGCARO
COc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1O	ZINC000067868360	556847745	/nfs/dbraw/zinc/84/77/45/556847745.db2.gz	DUJJTAUYPXTYLN-FQEVSTJZSA-N	1	0	438.572	3.137	50	10		IGCARO
CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1CO	ZINC000019770450	556912664	/nfs/dbraw/zinc/91/26/64/556912664.db2.gz	GUIQUEODZGTAER-XMMPIXPASA-N	1	0	439.600	3.373	50	10		IGCARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccc5nccnc5c4)C3)CC2)cc1	ZINC000095524141	557157973	/nfs/dbraw/zinc/15/79/73/557157973.db2.gz	CCIFBRQFNZYBOT-OAQYLSRUSA-N	1	0	431.540	3.065	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@@]6(C)CC[C@@H]4[C@H](C)CC[C@H]35)CC2)cc1	ZINC000253486912	569283051	/nfs/dbraw/zinc/28/30/51/569283051.db2.gz	BALNINAJAHCEHC-UJAYIQLXSA-N	1	0	440.584	3.343	50	10		IGCARO
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008801038	569476439	/nfs/dbraw/zinc/47/64/39/569476439.db2.gz	QKBRJUALQCXBSJ-QFIPXVFZSA-N	1	0	443.613	3.420	50	10		IGCARO
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135456	132227319	/nfs/dbraw/zinc/22/73/19/132227319.db2.gz	CQPHYRBBRICKAZ-NRFANRHFSA-N	1	0	428.964	3.388	50	10		IGCARO
CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022733604	519778778	/nfs/dbraw/zinc/77/87/78/519778778.db2.gz	VIBYUQKZLWHUJL-RUZDIDTESA-N	1	0	436.600	3.185	50	10		IGCARO
COc1ccc(N2CCN(C(=O)C3CC[NH+](CCc4c[nH]c5ncccc45)CC3)CC2)cc1	ZINC000096372414	569397811	/nfs/dbraw/zinc/39/78/11/569397811.db2.gz	DBGIJJUOSUSEKQ-UHFFFAOYSA-N	1	0	447.583	3.175	50	10		IGCARO
O=C1C(=CNCC[NH+]2CCCCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	ZINC000001829437	132247179	/nfs/dbraw/zinc/24/71/79/132247179.db2.gz	VOEOMOFEVZBADE-UHFFFAOYSA-N	1	0	434.565	3.311	50	10		IGCARO
C[N@H+]([C@H]1CCOC1)C1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1	ZINC000012246700	523629659	/nfs/dbraw/zinc/62/96/59/523629659.db2.gz	OPWZMBSXVMVMJD-NRFANRHFSA-N	1	0	433.549	3.316	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@@]6(C)CC[C@@H]4[C@@H](C)CC[C@@H]35)CC2)cc1	ZINC000253486909	569283025	/nfs/dbraw/zinc/28/30/25/569283025.db2.gz	BALNINAJAHCEHC-BHLZGGNQSA-N	1	0	440.584	3.343	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000009138278	132227039	/nfs/dbraw/zinc/22/70/39/132227039.db2.gz	KCCWKPVBAJHMLG-HSZRJFAPSA-N	1	0	438.547	3.490	50	10		IGCARO
CCOc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O	ZINC000022241794	521334025	/nfs/dbraw/zinc/33/40/25/521334025.db2.gz	QHIKXTFLIXUKTJ-UHFFFAOYSA-N	1	0	437.584	3.347	50	10		IGCARO
COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000035597188	524566309	/nfs/dbraw/zinc/56/63/09/524566309.db2.gz	AODLJNGNQMFPTH-XMMPIXPASA-N	1	0	437.588	3.188	50	10		IGCARO
Cc1nonc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1O	ZINC000011839444	556364329	/nfs/dbraw/zinc/36/43/29/556364329.db2.gz	HBRQWJRHQBBYEZ-QUCCMNQESA-N	1	0	442.516	3.274	50	10		IGCARO
COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1	ZINC000299767425	568756389	/nfs/dbraw/zinc/75/63/89/568756389.db2.gz	GREYCDTZHDIHCC-DEOSSOPVSA-N	1	0	449.595	3.347	50	10		IGCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1	ZINC000015772806	568822811	/nfs/dbraw/zinc/82/28/11/568822811.db2.gz	ALIHTEHMGQMAOV-UHFFFAOYSA-N	1	0	445.567	3.126	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCCC3)ccc21	ZINC000009138111	132306657	/nfs/dbraw/zinc/30/66/57/132306657.db2.gz	RXJMKYVIWWVUHM-HSZRJFAPSA-N	1	0	426.605	3.161	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@]45[C@H]6O[C@@]6(C)CC[C@@H]4[C@@H](C)CC[C@H]35)CC2)cc1	ZINC000253486910	569283057	/nfs/dbraw/zinc/28/30/57/569283057.db2.gz	BALNINAJAHCEHC-KANNQTSHSA-N	1	0	440.584	3.343	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1F	ZINC000013008017	569306406	/nfs/dbraw/zinc/30/64/06/569306406.db2.gz	CYUTZAJGDSDWQT-QHCPKHFHSA-N	1	0	438.547	3.408	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000008963927	569491204	/nfs/dbraw/zinc/49/12/04/569491204.db2.gz	DUJIFANKIZWXCO-LJQANCHMSA-N	1	0	434.462	3.055	50	10		IGCARO
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)[NH+](C)C)cc1	ZINC000009526966	569544591	/nfs/dbraw/zinc/54/45/91/569544591.db2.gz	MESKLDPKGGMCCG-GOSISDBHSA-N	1	0	426.380	3.096	50	10		IGCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[NH+]2CCCC2)cc1	ZINC000010188286	569578866	/nfs/dbraw/zinc/57/88/66/569578866.db2.gz	MDXQEJBNXBXPRT-HXUWFJFHSA-N	1	0	432.927	3.437	50	10		IGCARO
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135424	132227451	/nfs/dbraw/zinc/22/74/51/132227451.db2.gz	YIOXZJWOVJHJRS-NRFANRHFSA-N	1	0	428.964	3.388	50	10		IGCARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1	ZINC000022734822	520909275	/nfs/dbraw/zinc/90/92/75/520909275.db2.gz	UOKHJLSAFBWDHJ-VWLOTQADSA-N	1	0	436.600	3.186	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009138406	536397277	/nfs/dbraw/zinc/39/72/77/536397277.db2.gz	NLZDHBXIWHJGTI-VWLOTQADSA-N	1	0	448.611	3.071	50	10		IGCARO
O=C1C(=CNCCC[NH+]2CCOCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000100567648	556621227	/nfs/dbraw/zinc/62/12/27/556621227.db2.gz	AWDHLHKMBHDSLE-HTXNQAPBSA-N	1	0	447.564	3.243	50	10		IGCARO
COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(O)c1	ZINC000023311265	557083502	/nfs/dbraw/zinc/08/35/02/557083502.db2.gz	ZQTJQERACSBKIP-FQEVSTJZSA-N	1	0	438.572	3.137	50	10		IGCARO
CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000036616240	569122785	/nfs/dbraw/zinc/12/27/85/569122785.db2.gz	XSBAEHPIGBLQDZ-UHFFFAOYSA-N	1	0	432.572	3.401	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCC3)ccc21	ZINC000009135601	132227330	/nfs/dbraw/zinc/22/73/30/132227330.db2.gz	QQTLLSHDQDMUSS-JOCHJYFZSA-N	1	0	442.510	3.239	50	10		IGCARO
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009138050	132306415	/nfs/dbraw/zinc/30/64/15/132306415.db2.gz	XJCZJYGWJVDVLN-RUZDIDTESA-N	1	0	448.611	3.337	50	10		IGCARO
COc1ccc([C@H](CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)[NH+]2CCCC2)cc1	ZINC000009469219	132318689	/nfs/dbraw/zinc/31/86/89/132318689.db2.gz	NLPHMQUSHFRNAR-DEOSSOPVSA-N	1	0	438.572	3.373	50	10		IGCARO
CN1CCN(c2cc(NCC[NH+]3CCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000009641242	132324385	/nfs/dbraw/zinc/32/43/85/132324385.db2.gz	QEARSFNFKKXZBU-UHFFFAOYSA-N	1	0	431.540	3.299	50	10		IGCARO
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1	ZINC000013008589	132341890	/nfs/dbraw/zinc/34/18/90/132341890.db2.gz	XSHMIAIQDIQYNH-NRFANRHFSA-N	1	0	426.586	3.149	50	10		IGCARO
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022418621	521540933	/nfs/dbraw/zinc/54/09/33/521540933.db2.gz	OVDMWXCMWQYSMN-QFIPXVFZSA-N	1	0	425.577	3.262	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022734715	523918172	/nfs/dbraw/zinc/91/81/72/523918172.db2.gz	ZVLSBUAKGPYVFQ-QHCPKHFHSA-N	1	0	426.992	3.441	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)N3CC[NH+](C)CC3)ccc21	ZINC000022733675	523998154	/nfs/dbraw/zinc/99/81/54/523998154.db2.gz	SPZCCYIAFFZONO-OAQYLSRUSA-N	1	0	430.955	3.190	50	10		IGCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1	ZINC000006785743	536696913	/nfs/dbraw/zinc/69/69/13/536696913.db2.gz	HSQQRWOBCCUBKX-UHFFFAOYSA-N	1	0	428.533	3.046	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]34)CC2)cc1	ZINC000059410076	569461148	/nfs/dbraw/zinc/46/11/48/569461148.db2.gz	BTDFXRGYBMACRJ-WIAZEZMVSA-N	1	0	440.584	3.344	50	10		IGCARO
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008964074	569491132	/nfs/dbraw/zinc/49/11/32/569491132.db2.gz	FBKYKCUCCBPHRK-QFIPXVFZSA-N	1	0	438.597	3.293	50	10		IGCARO
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008964094	569491134	/nfs/dbraw/zinc/49/11/34/569491134.db2.gz	XCXIZVHPBJVCHO-NRFANRHFSA-N	1	0	438.597	3.293	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCC3)ccc21	ZINC000009135645	132306243	/nfs/dbraw/zinc/30/62/43/132306243.db2.gz	SSLNSTLBLJSGNY-HSZRJFAPSA-N	1	0	426.605	3.161	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)[NH+](C)C)ccc21	ZINC000013008655	132342059	/nfs/dbraw/zinc/34/20/59/132342059.db2.gz	TYACXBHTQQGOLK-HXUWFJFHSA-N	1	0	448.489	3.445	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CC[NH+](C)CC3)ccc21	ZINC000022734813	523918475	/nfs/dbraw/zinc/91/84/75/523918475.db2.gz	OOXZTIATOPOAHG-QHCPKHFHSA-N	1	0	426.992	3.441	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022734718	523922364	/nfs/dbraw/zinc/92/23/64/523922364.db2.gz	ZVLSBUAKGPYVFQ-HSZRJFAPSA-N	1	0	426.992	3.441	50	10		IGCARO
COc1ccc(CNC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC	ZINC000035597218	524059809	/nfs/dbraw/zinc/05/98/09/524059809.db2.gz	KNTPXOFSRGFLHY-QFIPXVFZSA-N	1	0	438.572	3.332	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1	ZINC000070680471	524426411	/nfs/dbraw/zinc/42/64/11/524426411.db2.gz	UNYJANFBGVUIQP-LVDFLNIKSA-N	1	0	440.584	3.102	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+](C)C)ccc21	ZINC000013008615	536124736	/nfs/dbraw/zinc/12/47/36/536124736.db2.gz	ZLGNETRJVPQIIG-FQEVSTJZSA-N	1	0	432.927	3.219	50	10		IGCARO
C[NH+]1CCN(c2ccc(CNS(=O)(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1	ZINC000008649547	536421521	/nfs/dbraw/zinc/42/15/21/536421521.db2.gz	OFVWSPCLLUQQII-UHFFFAOYSA-N	1	0	427.492	3.077	50	10		IGCARO
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c(C)c1	ZINC000008964167	569491126	/nfs/dbraw/zinc/49/11/26/569491126.db2.gz	DEALPJQLLCGPRX-QHCPKHFHSA-N	1	0	434.584	3.496	50	10		IGCARO
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1	ZINC000008964073	569491168	/nfs/dbraw/zinc/49/11/68/569491168.db2.gz	FBKYKCUCCBPHRK-JOCHJYFZSA-N	1	0	438.597	3.293	50	10		IGCARO
CCN(CC)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)cc1	ZINC000011787078	556353884	/nfs/dbraw/zinc/35/38/84/556353884.db2.gz	YMPQWGKUQVOBHB-QFIPXVFZSA-N	1	0	439.604	3.210	50	10		IGCARO
COc1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1O	ZINC000067868358	556847765	/nfs/dbraw/zinc/84/77/65/556847765.db2.gz	DUJJTAUYPXTYLN-HXUWFJFHSA-N	1	0	438.572	3.137	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@H]34)CC2)cc1	ZINC000059409258	569461215	/nfs/dbraw/zinc/46/12/15/569461215.db2.gz	BTDFXRGYBMACRJ-KJGALXHASA-N	1	0	440.584	3.344	50	10		IGCARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1Cl	ZINC000009135453	132227312	/nfs/dbraw/zinc/22/73/12/132227312.db2.gz	LPSYZXMAWLTTCV-OAQYLSRUSA-N	1	0	428.964	3.388	50	10		IGCARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022664958	522246967	/nfs/dbraw/zinc/24/69/67/522246967.db2.gz	UEJFSXIZCUJVFF-SANMLTNESA-N	1	0	446.595	3.390	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)[NH+]3CCCCC3)ccc21	ZINC000023858052	523996540	/nfs/dbraw/zinc/99/65/40/523996540.db2.gz	USHAJMOOGAOJHE-HSZRJFAPSA-N	1	0	426.605	3.161	50	10		IGCARO
COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](CCc3ccccc3)C4)CC2)cc1	ZINC000021640134	524438964	/nfs/dbraw/zinc/43/89/64/524438964.db2.gz	KVFJIYOPJPHRLH-UHFFFAOYSA-N	1	0	429.568	3.413	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000009138253	536397566	/nfs/dbraw/zinc/39/75/66/536397566.db2.gz	MCSBBWDBWZLFBZ-QFIPXVFZSA-N	1	0	440.613	3.090	50	10		IGCARO
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000008451832	556182410	/nfs/dbraw/zinc/18/24/10/556182410.db2.gz	UQENAMQVPJYQNG-FYJGNVAPSA-N	1	0	429.480	3.329	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)COCCOc3ccccc3C(C)C)CC2)cc1	ZINC000023224709	557116353	/nfs/dbraw/zinc/11/63/53/557116353.db2.gz	RAWDFDKUMWAASR-JOCHJYFZSA-N	1	0	428.573	3.397	50	10		IGCARO
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCCC4)c3[O-])CC2)cc1	ZINC000101374599	557281152	/nfs/dbraw/zinc/28/11/52/557281152.db2.gz	FUKRZMUXCNVEFS-UHFFFAOYSA-N	1	0	427.545	3.052	50	10		IGCARO
CCOC(=O)c1c(C[NH+](C)C)n(C)c2cc(-c3ccncc3)c(O)c(Cn3ccnc3)c21	ZINC000085393616	568817303	/nfs/dbraw/zinc/81/73/03/568817303.db2.gz	YFVGEPNUDFLFAR-UHFFFAOYSA-N	1	0	433.512	3.429	50	10		IGCARO
COc1ccc(CCS(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000038636101	569465129	/nfs/dbraw/zinc/46/51/29/569465129.db2.gz	XCOOCISZXBVLEG-HSZRJFAPSA-N	1	0	431.602	3.060	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)[NH+]3CCCC3)ccc21	ZINC000008964183	569491176	/nfs/dbraw/zinc/49/11/76/569491176.db2.gz	SUFJAMKWRLGEDV-OAQYLSRUSA-N	1	0	426.948	3.224	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000009138247	132227014	/nfs/dbraw/zinc/22/70/14/132227014.db2.gz	MCSBBWDBWZLFBZ-JOCHJYFZSA-N	1	0	440.613	3.090	50	10		IGCARO
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009138047	132306340	/nfs/dbraw/zinc/30/63/40/132306340.db2.gz	XJCZJYGWJVDVLN-VWLOTQADSA-N	1	0	448.611	3.337	50	10		IGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CC[NH+](C)CC2)cc1	ZINC000022664983	522241303	/nfs/dbraw/zinc/24/13/03/522241303.db2.gz	UDABMIFVAPJKOU-OAQYLSRUSA-N	1	0	445.951	3.033	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)[NH+]3CCCC3)ccc21	ZINC000009135577	536397375	/nfs/dbraw/zinc/39/73/75/536397375.db2.gz	UIHFNHITQAVUJX-DEOSSOPVSA-N	1	0	438.616	3.329	50	10		IGCARO
COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc(OC)c1OC	ZINC000005097908	556634976	/nfs/dbraw/zinc/63/49/76/556634976.db2.gz	XPNGTGBLPMXSOY-FQEVSTJZSA-N	1	0	427.545	3.345	50	10		IGCARO
O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000019875082	556935836	/nfs/dbraw/zinc/93/58/36/556935836.db2.gz	YRLGCHFDBKFRSS-UHFFFAOYSA-N	1	0	431.536	3.351	50	10		IGCARO
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000019921391	556943904	/nfs/dbraw/zinc/94/39/04/556943904.db2.gz	ZSJDWUSCTOAYLT-ZHZULCJRSA-N	1	0	430.524	3.264	50	10		IGCARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(C(=O)c4ccc5nccnc5c4)C3)CC2)cc1	ZINC000095524142	557157864	/nfs/dbraw/zinc/15/78/64/557157864.db2.gz	CCIFBRQFNZYBOT-NRFANRHFSA-N	1	0	431.540	3.065	50	10		IGCARO
COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1	ZINC000299767431	568756430	/nfs/dbraw/zinc/75/64/30/568756430.db2.gz	GREYCDTZHDIHCC-XMMPIXPASA-N	1	0	449.595	3.347	50	10		IGCARO
Cc1cc(C[NH2+]Cc2ccccc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013137807	569311643	/nfs/dbraw/zinc/31/16/43/569311643.db2.gz	DFZJLRFHIINDBC-UHFFFAOYSA-N	1	0	439.581	3.405	50	10		IGCARO
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1C	ZINC000008801007	569476500	/nfs/dbraw/zinc/47/65/00/569476500.db2.gz	ZAQKESIUMRNCOS-JOCHJYFZSA-N	1	0	429.586	3.111	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)[NH+]3CCCC3)ccc21	ZINC000008964184	569491220	/nfs/dbraw/zinc/49/12/20/569491220.db2.gz	SUFJAMKWRLGEDV-NRFANRHFSA-N	1	0	426.948	3.224	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+](C)C)ccc21	ZINC000013008618	132342141	/nfs/dbraw/zinc/34/21/41/132342141.db2.gz	ZLGNETRJVPQIIG-HXUWFJFHSA-N	1	0	432.927	3.219	50	10		IGCARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)N3CC[NH+](C)CC3)ccc21	ZINC000022733630	523998591	/nfs/dbraw/zinc/99/85/91/523998591.db2.gz	VDFATFVHQQMYOW-JOCHJYFZSA-N	1	0	446.517	3.416	50	10		IGCARO
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)C)cc1)CC2	ZINC000011840754	556364740	/nfs/dbraw/zinc/36/47/40/556364740.db2.gz	AVVOBYHWXNPXBI-HXUWFJFHSA-N	1	0	446.599	3.212	50	10		IGCARO
COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(O)c1	ZINC000023311269	557083370	/nfs/dbraw/zinc/08/33/70/557083370.db2.gz	ZQTJQERACSBKIP-HXUWFJFHSA-N	1	0	438.572	3.137	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)CC2)cc1	ZINC000059409477	569461229	/nfs/dbraw/zinc/46/12/29/569461229.db2.gz	PRAIGGPCHKMTSE-XQDLNMBRSA-N	1	0	440.584	3.343	50	10		IGCARO
CN(C)c1cc(NCC[NH+]2CCC3(CC2)OCCO3)c2c3c1noc3-c1ccccc1C2=O	ZINC000009641465	569555648	/nfs/dbraw/zinc/55/56/48/569555648.db2.gz	NQFKVLODWWGDQP-UHFFFAOYSA-N	1	0	448.523	3.356	50	10		IGCARO
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000013008610	132342097	/nfs/dbraw/zinc/34/20/97/132342097.db2.gz	BKNRDNMTMYWGLG-FQEVSTJZSA-N	1	0	426.586	3.149	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022733644	523999319	/nfs/dbraw/zinc/99/93/19/523999319.db2.gz	YSYWMTVUGSVVBU-QFIPXVFZSA-N	1	0	446.517	3.416	50	10		IGCARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1	ZINC000032841718	557316668	/nfs/dbraw/zinc/31/66/68/557316668.db2.gz	YELARPHUDMGDEE-UHFFFAOYSA-N	1	0	433.556	3.197	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)[NH+]3CCCCC3)ccc21	ZINC000013008014	569306447	/nfs/dbraw/zinc/30/64/47/569306447.db2.gz	UVNNIPFYESNZFW-QFIPXVFZSA-N	1	0	442.510	3.239	50	10		IGCARO
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+](C)C	ZINC000009135457	132227457	/nfs/dbraw/zinc/22/74/57/132227457.db2.gz	CQPHYRBBRICKAZ-OAQYLSRUSA-N	1	0	428.964	3.388	50	10		IGCARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022664963	522242751	/nfs/dbraw/zinc/24/27/51/522242751.db2.gz	UEJFSXIZCUJVFF-AREMUKBSSA-N	1	0	446.595	3.390	50	10		IGCARO
CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CC[NH+](C)CC3)ccc21	ZINC000022734816	523921095	/nfs/dbraw/zinc/92/10/95/523921095.db2.gz	OOXZTIATOPOAHG-HSZRJFAPSA-N	1	0	426.992	3.441	50	10		IGCARO
COc1cccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)c1O	ZINC000011788180	556354481	/nfs/dbraw/zinc/35/44/81/556354481.db2.gz	AVSQNMAJEFACDY-AREMUKBSSA-N	1	0	449.551	3.091	50	10		IGCARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([N@@H+]3CCC[C@H](C(N)=O)C3)CC2)c1	ZINC000015001298	556479800	/nfs/dbraw/zinc/47/98/00/556479800.db2.gz	RXTASDDCUCSUDR-SFHVURJKSA-N	1	0	436.556	3.114	50	10		IGCARO
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC1CC[NH+](CC)CC1	ZINC000027787024	557273793	/nfs/dbraw/zinc/27/37/93/557273793.db2.gz	WPQSSRIKCLMZCV-UHFFFAOYSA-N	1	0	430.574	3.034	50	10		IGCARO
CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCCC3)ccc21	ZINC000009138116	536397667	/nfs/dbraw/zinc/39/76/67/536397667.db2.gz	RXJMKYVIWWVUHM-QHCPKHFHSA-N	1	0	426.605	3.161	50	10		IGCARO
CC[NH+](CC)CCSc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1	ZINC000033115258	556554697	/nfs/dbraw/zinc/55/46/97/556554697.db2.gz	IIIXKJNUJRHLIQ-UHFFFAOYSA-N	1	0	428.602	3.487	50	10		IGCARO
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)CC2)cc1	ZINC000061991211	556766909	/nfs/dbraw/zinc/76/69/09/556766909.db2.gz	BTDFXRGYBMACRJ-WCQONYCWSA-N	1	0	440.584	3.344	50	10		IGCARO
COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1	ZINC000248098702	568633900	/nfs/dbraw/zinc/63/39/00/568633900.db2.gz	ZGMVTIRQWIVYLU-FQEVSTJZSA-N	1	0	447.583	3.143	50	10		IGCARO
COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000038636103	569465127	/nfs/dbraw/zinc/46/51/27/569465127.db2.gz	XCOOCISZXBVLEG-QHCPKHFHSA-N	1	0	431.602	3.060	50	10		IGCARO
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1	ZINC000022589160	524197271	/nfs/dbraw/zinc/19/72/71/524197271.db2.gz	UUYYEVFHNWLELS-OAQYLSRUSA-N	1	0	430.980	3.133	50	10		IGCARO
CCN(CC)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)cc1	ZINC000011787080	556353777	/nfs/dbraw/zinc/35/37/77/556353777.db2.gz	YMPQWGKUQVOBHB-JOCHJYFZSA-N	1	0	439.604	3.210	50	10		IGCARO
CCc1nnc2c(NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)nc3ccccc3n12	ZINC000016162634	556586760	/nfs/dbraw/zinc/58/67/60/556586760.db2.gz	GGBQTLMGRXGSRS-UHFFFAOYSA-N	1	0	431.544	3.083	50	10		IGCARO
COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O	ZINC000299764641	556695261	/nfs/dbraw/zinc/69/52/61/556695261.db2.gz	BEBIJPWPTHENHJ-QHCPKHFHSA-N	1	0	449.595	3.347	50	10		IGCARO
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)[NH+]3CCCC3)ccc21	ZINC000008964102	569491142	/nfs/dbraw/zinc/49/11/42/569491142.db2.gz	UZPWSOVFOSBAIB-NRFANRHFSA-N	1	0	444.938	3.363	50	10		IGCARO
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+]1CCCC1	ZINC000008964093	569491202	/nfs/dbraw/zinc/49/12/02/569491202.db2.gz	XCXIZVHPBJVCHO-OAQYLSRUSA-N	1	0	438.597	3.293	50	10		IGCARO