smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(Br)c2)CC1	ZINC000002183612	132248502	/nfs/dbraw/zinc/24/85/02/132248502.db2.gz	YZZSRVHNVXGPPW-IBGZPJMESA-N	1	0	449.393	3.168	50	0		IGAARO
O=C(/C=C1\Sc2ccccc2NC1=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000003049749	132260949	/nfs/dbraw/zinc/26/09/49/132260949.db2.gz	HTZOCQDENRBNHC-PGMHBOJBSA-N	1	0	440.544	3.082	50	0		IGAARO
COc1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CO2	ZINC000008610496	132288232	/nfs/dbraw/zinc/28/82/32/132288232.db2.gz	IZOKRHYYIHQVRZ-LJQANCHMSA-N	1	0	443.975	3.228	50	0		IGAARO
Cc1c(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)sc2nc3n(c(=O)c12)CCCC3	ZINC000009405730	132314940	/nfs/dbraw/zinc/31/49/40/132314940.db2.gz	NUQCRSIOXMGGOG-UHFFFAOYSA-N	1	0	437.569	3.107	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020566596	518705594	/nfs/dbraw/zinc/70/55/94/518705594.db2.gz	WXLRQONPYAAKCJ-ZBLHWPFVSA-N	1	0	437.927	3.102	50	0		IGAARO
CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	ZINC000020775723	519438097	/nfs/dbraw/zinc/43/80/97/519438097.db2.gz	DOPQZYUYPWKEMK-UHFFFAOYSA-N	1	0	431.584	3.394	50	0		IGAARO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000035991054	520511382	/nfs/dbraw/zinc/51/13/82/520511382.db2.gz	FHNKXBNCRSVCAF-QFIPXVFZSA-N	1	0	445.560	3.339	50	0		IGAARO
CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000020560254	520512572	/nfs/dbraw/zinc/51/25/72/520512572.db2.gz	JVUMCSGNSOZSIC-HSZRJFAPSA-N	1	0	440.588	3.116	50	0		IGAARO
CC1CCN(C(=O)c2csc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2)CC1	ZINC000021884723	520989756	/nfs/dbraw/zinc/98/97/56/520989756.db2.gz	HJXOPZBSJRIGIQ-UHFFFAOYSA-N	1	0	439.647	3.259	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c2cccs2)CC1	ZINC000022681088	521033828	/nfs/dbraw/zinc/03/38/28/521033828.db2.gz	NLXRPCMNZRNKKD-FQEVSTJZSA-N	1	0	447.626	3.491	50	0		IGAARO
CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccccc4Cl)ccc3n2C)CC1	ZINC000022804409	521689517	/nfs/dbraw/zinc/68/95/17/521689517.db2.gz	UGHUDDJOXACHSI-UHFFFAOYSA-N	1	0	441.963	3.382	50	0		IGAARO
CCS(=O)(=O)c1ncc(CN2CCC[C@@H](C[NH+]3CCCC3)C2)n1Cc1ccccc1	ZINC000012299913	521694877	/nfs/dbraw/zinc/69/48/77/521694877.db2.gz	SEUQTQALKGHYES-NRFANRHFSA-N	1	0	430.618	3.033	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccs1	ZINC000024715337	522007760	/nfs/dbraw/zinc/00/77/60/522007760.db2.gz	UGEYEVUHUOBGJQ-GRFAERAESA-N	1	0	447.626	3.180	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1cc3ccccc3s1)CC2	ZINC000020452652	522015936	/nfs/dbraw/zinc/01/59/36/522015936.db2.gz	IGLIBBKUDSAKHC-UHFFFAOYSA-N	1	0	437.565	3.366	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CC[N@@H+](Cc1ccccc1)CC2	ZINC000020598645	522017238	/nfs/dbraw/zinc/01/72/38/522017238.db2.gz	BOXVCVABTQNJTL-SFHVURJKSA-N	1	0	435.524	3.341	50	0		IGAARO
Cn1cc([C@@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21	ZINC000021698583	522068705	/nfs/dbraw/zinc/06/87/05/522068705.db2.gz	PCHYTLPMXRPYBY-LJQANCHMSA-N	1	0	448.445	3.435	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000035459727	523021342	/nfs/dbraw/zinc/02/13/42/523021342.db2.gz	ALRGMQKJPHZNOY-IBGZPJMESA-N	1	0	441.663	3.310	50	0		IGAARO
CCn1c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)c1=O	ZINC000012513333	523281036	/nfs/dbraw/zinc/28/10/36/523281036.db2.gz	FLUMCJHZHNTLOO-UHFFFAOYSA-N	1	0	441.963	3.257	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2	ZINC000020500998	523289275	/nfs/dbraw/zinc/28/92/75/523289275.db2.gz	DWVDFWHOTDAUTB-SFHVURJKSA-N	1	0	449.617	3.082	50	0		IGAARO
C[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1	ZINC000012247970	523623228	/nfs/dbraw/zinc/62/32/28/523623228.db2.gz	XWTMCYHHHNOFOQ-JOCHJYFZSA-N	1	0	437.540	3.035	50	0		IGAARO
CC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC	ZINC000014540414	523880918	/nfs/dbraw/zinc/88/09/18/523880918.db2.gz	HRKSLDLEESYOPQ-IBGZPJMESA-N	1	0	431.577	3.377	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1	ZINC000020601029	523913640	/nfs/dbraw/zinc/91/36/40/523913640.db2.gz	UNKZGFWTTIKYJJ-CTNGQTDRSA-N	1	0	437.918	3.114	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000035374928	523945561	/nfs/dbraw/zinc/94/55/61/523945561.db2.gz	YSPSKCBBAZTUPG-YAQJADAMSA-N	1	0	437.927	3.102	50	0		IGAARO
CO[C@H]1CCCN(C(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)C1	ZINC000020537222	523969051	/nfs/dbraw/zinc/96/90/51/523969051.db2.gz	VCBXJUOATDFGLI-FQEVSTJZSA-N	1	0	426.561	3.146	50	0		IGAARO
COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1C	ZINC000012190260	524033631	/nfs/dbraw/zinc/03/36/31/524033631.db2.gz	OHDHERCDFPTWAT-HXUWFJFHSA-N	1	0	449.551	3.101	50	0		IGAARO
Cc1ccc(C)c(N2CC[NH+](CCCN3C(=O)CC[C@]3(C)C(=O)NCCC(C)C)CC2)c1	ZINC000021776539	524126357	/nfs/dbraw/zinc/12/63/57/524126357.db2.gz	KEZMVWBMFHLGMY-AREMUKBSSA-N	1	0	442.648	3.359	50	0		IGAARO
COc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC000012164872	524455277	/nfs/dbraw/zinc/45/52/77/524455277.db2.gz	DWIDYGTZYITXIQ-IBGZPJMESA-N	1	0	433.556	3.155	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1	ZINC000020782855	524476009	/nfs/dbraw/zinc/47/60/09/524476009.db2.gz	JXEOTBPZPSZBJN-HSZRJFAPSA-N	1	0	432.572	3.475	50	0		IGAARO
C[C@@H](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)[NH+]1CCCC1	ZINC000021860372	524497137	/nfs/dbraw/zinc/49/71/37/524497137.db2.gz	RLZZNTBIPQQDFF-IBGZPJMESA-N	1	0	443.551	3.302	50	0		IGAARO
Cc1cc(C)n2nc(C(=O)NC[C@@H](C)Oc3cccc(C[NH+]4CCSCC4)c3)cc2n1	ZINC000012181863	524567004	/nfs/dbraw/zinc/56/70/04/524567004.db2.gz	XQNZXPJNMCQAJC-GOSISDBHSA-N	1	0	439.585	3.092	50	0		IGAARO
Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccn1	ZINC000022697948	525325987	/nfs/dbraw/zinc/32/59/87/525325987.db2.gz	GDBPJYUVLQDKDC-QHCPKHFHSA-N	1	0	438.959	3.296	50	0		IGAARO
COc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022794359	525356216	/nfs/dbraw/zinc/35/62/16/525356216.db2.gz	ZBCBOVCQHCXAJC-VWLOTQADSA-N	1	0	433.552	3.332	50	0		IGAARO
COc1ccc([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)N2CCOCC2)cc1	ZINC000022756485	525362220	/nfs/dbraw/zinc/36/22/20/525362220.db2.gz	QDHVRJOFGZJHSY-ZSQFBXSQSA-N	1	0	440.584	3.113	50	0		IGAARO
COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1	ZINC000012799473	525414195	/nfs/dbraw/zinc/41/41/95/525414195.db2.gz	NPYXDRDKUKRAOJ-OAQYLSRUSA-N	1	0	434.558	3.170	50	0		IGAARO
Cc1ccn(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1	ZINC000012298039	525593928	/nfs/dbraw/zinc/59/39/28/525593928.db2.gz	ORRKNBGDGCUIPA-JOCHJYFZSA-N	1	0	428.552	3.250	50	0		IGAARO
Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)C2)n1	ZINC000035454379	525666551	/nfs/dbraw/zinc/66/65/51/525666551.db2.gz	FBGWSUGCAROHQX-NRFANRHFSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)C2)n1	ZINC000035454384	525667389	/nfs/dbraw/zinc/66/73/89/525667389.db2.gz	FBGWSUGCAROHQX-OAQYLSRUSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)C2)n1	ZINC000035454327	525667829	/nfs/dbraw/zinc/66/78/29/525667829.db2.gz	XONMBEUECBMFLY-NRFANRHFSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[NH+]1CCCC1	ZINC000020417032	525991505	/nfs/dbraw/zinc/99/15/05/525991505.db2.gz	KJDAJSOBZSOKDI-UHFFFAOYSA-N	1	0	435.572	3.186	50	0		IGAARO
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)cc1	ZINC000035422105	526072257	/nfs/dbraw/zinc/07/22/57/526072257.db2.gz	IXNHMWKJFMHVHM-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
Cc1cc(=O)n2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)sc2n1	ZINC000021577882	526143206	/nfs/dbraw/zinc/14/32/06/526143206.db2.gz	OYOFQXAUFBRKQC-UHFFFAOYSA-N	1	0	431.565	3.367	50	0		IGAARO
O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012202630	526408965	/nfs/dbraw/zinc/40/89/65/526408965.db2.gz	DYYKJQWOZXDYEK-HXUWFJFHSA-N	1	0	426.586	3.166	50	0		IGAARO
O=C(CCCn1cncn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012746943	526471899	/nfs/dbraw/zinc/47/18/99/526471899.db2.gz	XAXNOWQDJLNFLS-JOCHJYFZSA-N	1	0	443.567	3.117	50	0		IGAARO
O=C(c1cccc(Cl)c1)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	ZINC000012342237	526757953	/nfs/dbraw/zinc/75/79/53/526757953.db2.gz	CLPRLNIDUQTVOX-IBGZPJMESA-N	1	0	429.879	3.005	50	0		IGAARO
O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CC[NH+](C2CCCCC2)CC1	ZINC000021535409	526816438	/nfs/dbraw/zinc/81/64/38/526816438.db2.gz	PDCLIANOEGYRIK-UHFFFAOYSA-N	1	0	428.606	3.410	50	0		IGAARO
O=C(c1nc(N2CCCC2)nc2c1CCCC2)N(Cc1cccnc1)[C@H]1C[NH+]2CCC1CC2	ZINC000012208051	526917015	/nfs/dbraw/zinc/91/70/15/526917015.db2.gz	GUHXVFCGTNMBHZ-QHCPKHFHSA-N	1	0	446.599	3.087	50	0		IGAARO
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000012816837	527001583	/nfs/dbraw/zinc/00/15/83/527001583.db2.gz	YXALRGVIQSMXTB-LOSJGSFVSA-N	1	0	427.548	3.418	50	0		IGAARO
[NH3+][C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1	ZINC000022048966	527338007	/nfs/dbraw/zinc/33/80/07/527338007.db2.gz	HBPTXDXGWDVDON-BVSLBCMMSA-N	1	0	425.554	3.302	50	0	in-vitro	IGAARO
Cn1ccnc1SCC[NH2+]C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1	ZINC000012217300	527447716	/nfs/dbraw/zinc/44/77/16/527447716.db2.gz	VDXGWMIYHVPQSG-UHFFFAOYSA-N	1	0	427.618	3.443	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21	ZINC000002228062	555759910	/nfs/dbraw/zinc/75/99/10/555759910.db2.gz	KABGULJJPRGKSF-UHFFFAOYSA-N	1	0	435.459	3.043	50	0		IGAARO
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1	ZINC000002345633	555770509	/nfs/dbraw/zinc/77/05/09/555770509.db2.gz	RWYQVNKLGGZCFL-OAQYLSRUSA-N	1	0	434.492	3.467	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2OC)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740543	555883674	/nfs/dbraw/zinc/88/36/74/555883674.db2.gz	YYCRONDSBPKGJX-FYYLOGMGSA-N	1	0	444.547	3.171	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000034740635	555884020	/nfs/dbraw/zinc/88/40/20/555884020.db2.gz	ZULUQXQZLLNGBF-NQIIRXRSSA-N	1	0	432.586	3.094	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O	ZINC000034811478	555909142	/nfs/dbraw/zinc/90/91/42/555909142.db2.gz	VVOBTQXVVXCWRM-KRWDZBQOSA-N	1	0	443.979	3.187	50	0		IGAARO
Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000008396306	556163605	/nfs/dbraw/zinc/16/36/05/556163605.db2.gz	CRJCOMPMHJJFJP-BJKOFHAPSA-O	1	0	445.518	3.216	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12	ZINC000013814248	556313872	/nfs/dbraw/zinc/31/38/72/556313872.db2.gz	TZOFWMDSZXDYBG-XWQURZDVSA-N	1	0	441.890	3.056	50	0		IGAARO
COc1ccccc1/C=C/C[NH+]1CCC2(CC[C@H](CNC(=O)C3CCOCC3)O2)CC1	ZINC000011840074	556364706	/nfs/dbraw/zinc/36/47/06/556364706.db2.gz	IUERSMPPWVUPGE-UKKYDJSUSA-N	1	0	428.573	3.265	50	0		IGAARO
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000014116604	556370944	/nfs/dbraw/zinc/37/09/44/556370944.db2.gz	HFYSLSOFTXWUFK-UHFFFAOYSA-N	1	0	446.979	3.065	50	0		IGAARO
CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)c(C)n1	ZINC000011878472	556371057	/nfs/dbraw/zinc/37/10/57/556371057.db2.gz	JGEMZUAHIQVRFT-UHFFFAOYSA-N	1	0	434.968	3.284	50	0		IGAARO
CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)OCCO2	ZINC000014185095	556385061	/nfs/dbraw/zinc/38/50/61/556385061.db2.gz	VOGMXBFXMBMTND-HXUWFJFHSA-N	1	0	429.542	3.032	50	0		IGAARO
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014531262	556420418	/nfs/dbraw/zinc/42/04/18/556420418.db2.gz	KZTNRZVHUFYYOV-QFIPXVFZSA-N	1	0	435.616	3.251	50	0		IGAARO
COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O	ZINC000014535011	556422763	/nfs/dbraw/zinc/42/27/63/556422763.db2.gz	KAWNRDDZWBNXQB-UHFFFAOYSA-N	1	0	437.540	3.141	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014742405	556439365	/nfs/dbraw/zinc/43/93/65/556439365.db2.gz	MMZGEXBSLLLSJZ-OAQYLSRUSA-N	1	0	438.641	3.421	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2	ZINC000014748329	556442399	/nfs/dbraw/zinc/44/23/99/556442399.db2.gz	HSZFQQKLIQQREU-HXUWFJFHSA-N	1	0	426.561	3.073	50	0		IGAARO
O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1	ZINC000014751647	556443632	/nfs/dbraw/zinc/44/36/32/556443632.db2.gz	XTSGAQDLYCBXAO-LEWJYISDSA-N	1	0	436.531	3.425	50	0		IGAARO
C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(NC4CCN(CC(N)=O)CC4)c32)C1	ZINC000014855569	556450512	/nfs/dbraw/zinc/45/05/12/556450512.db2.gz	HSBPWNULAAHPMZ-AWEZNQCLSA-N	1	0	436.585	3.240	50	0		IGAARO
COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1OC	ZINC000028349583	556453127	/nfs/dbraw/zinc/45/31/27/556453127.db2.gz	BVARYDKLWCRADI-LPHOPBHVSA-N	1	0	428.529	3.042	50	0		IGAARO
CCOc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1	ZINC000014886173	556455512	/nfs/dbraw/zinc/45/55/12/556455512.db2.gz	DOVLLYIZFWEZCO-NRFANRHFSA-N	1	0	426.561	3.071	50	0		IGAARO
COCC[NH+]1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1	ZINC000014968829	556466437	/nfs/dbraw/zinc/46/64/37/556466437.db2.gz	IWKQMYDMRFLSHO-KRWDZBQOSA-N	1	0	431.046	3.202	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)c2cccs2)CC1	ZINC000029323698	556472271	/nfs/dbraw/zinc/47/22/71/556472271.db2.gz	BQYKCJUOFIPLPF-HXUWFJFHSA-N	1	0	443.617	3.252	50	0		IGAARO
Cc1nonc1C[NH2+][C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1	ZINC000015002466	556480382	/nfs/dbraw/zinc/48/03/82/556480382.db2.gz	QGUXYCADNSISMA-KRWDZBQOSA-N	1	0	435.553	3.429	50	0		IGAARO
Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nn1C	ZINC000015066352	556493106	/nfs/dbraw/zinc/49/31/06/556493106.db2.gz	JURBKKWRCQKHDE-DEOSSOPVSA-N	1	0	436.600	3.229	50	0		IGAARO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccs1	ZINC000013566926	556520280	/nfs/dbraw/zinc/52/02/80/556520280.db2.gz	ALYWLYDSHGWMTB-UHFFFAOYSA-N	1	0	432.567	3.315	50	0		IGAARO
C[C@H]1C[NH+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@H](C)O1	ZINC000032899229	556524543	/nfs/dbraw/zinc/52/45/43/556524543.db2.gz	OIVJXYBYXLBQJT-PMACEKPBSA-N	1	0	433.556	3.223	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016022165	556575556	/nfs/dbraw/zinc/57/55/56/556575556.db2.gz	ZCKMMPBAGUWCLE-FDGPYGQJSA-N	1	0	437.927	3.103	50	0		IGAARO
C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1)c1ccccc1	ZINC000072311474	556584362	/nfs/dbraw/zinc/58/43/62/556584362.db2.gz	HGKLUDGOBFKHOI-QZTJIDSGSA-N	1	0	431.602	3.432	50	0		IGAARO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2Br)c1	ZINC000016189173	556588518	/nfs/dbraw/zinc/58/85/18/556588518.db2.gz	BKMLWTCEUQRSIB-UHFFFAOYSA-N	1	0	432.318	3.240	50	0		IGAARO
CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000036146501	556594164	/nfs/dbraw/zinc/59/41/64/556594164.db2.gz	YVDVTOHDOZGQPC-SFTDATJTSA-N	1	0	444.503	3.336	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000016449965	556609219	/nfs/dbraw/zinc/60/92/19/556609219.db2.gz	GZHZWSVGAYZDCY-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[N@H+]3CCCC[C@H]3C)s2)cc1	ZINC000032995153	556610258	/nfs/dbraw/zinc/61/02/58/556610258.db2.gz	WDURUQWLVPQMKP-QGZVFWFLSA-N	1	0	429.590	3.412	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000247932667	556646242	/nfs/dbraw/zinc/64/62/42/556646242.db2.gz	QZVFUMCUHFVDPS-KGFDFFDMSA-N	1	0	429.904	3.450	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1C	ZINC000248337542	556681006	/nfs/dbraw/zinc/68/10/06/556681006.db2.gz	QFCXCRVWKIHTAA-GQNXPXPTSA-N	1	0	429.520	3.351	50	0		IGAARO
Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)[NH+](C)C)cc1	ZINC000062580303	556684209	/nfs/dbraw/zinc/68/42/09/556684209.db2.gz	VZDQBOHRYXJPOK-HSZRJFAPSA-N	1	0	443.613	3.448	50	0		IGAARO
O=C1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000018204275	556686623	/nfs/dbraw/zinc/68/66/23/556686623.db2.gz	SYSHFXMDZYEOCI-QGZVFWFLSA-N	1	0	436.409	3.130	50	0		IGAARO
COCc1nnc(C(=O)Nc2ccc(C(=O)NCC[C@H](C)[NH+]3CCCCCC3)cc2)s1	ZINC000033032191	556712519	/nfs/dbraw/zinc/71/25/19/556712519.db2.gz	ZJTWMDXCHWYDES-INIZCTEOSA-N	1	0	445.589	3.321	50	0		IGAARO
C[C@@H]1CCc2nc3ccccc3c(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)c2C1	ZINC000058014268	556753422	/nfs/dbraw/zinc/75/34/22/556753422.db2.gz	JYNDYEVSAICWPF-GOSISDBHSA-N	1	0	429.568	3.436	50	0		IGAARO
O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000058154423	556762216	/nfs/dbraw/zinc/76/22/16/556762216.db2.gz	YQISHWKNAKMORU-UHFFFAOYSA-N	1	0	425.554	3.380	50	0		IGAARO
CCOc1ccc(OCC)c(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1	ZINC000058217952	556772930	/nfs/dbraw/zinc/77/29/30/556772930.db2.gz	BXBRAXXYVPLRPR-UHFFFAOYSA-N	1	0	427.545	3.055	50	0		IGAARO
Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1	ZINC000065362276	556834297	/nfs/dbraw/zinc/83/42/97/556834297.db2.gz	JHRUXQCZFLRWRA-UHFFFAOYSA-N	1	0	443.551	3.251	50	0		IGAARO
CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1	ZINC000071281265	556880343	/nfs/dbraw/zinc/88/03/43/556880343.db2.gz	NTMKYMDLAHSIKZ-UHFFFAOYSA-N	1	0	448.592	3.413	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1	ZINC000033254564	556890862	/nfs/dbraw/zinc/89/08/62/556890862.db2.gz	XNDHBTDARPOUQZ-FQEVSTJZSA-N	1	0	435.634	3.167	50	0		IGAARO
Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(N2CCCCC2)[nH+]1	ZINC000072117855	556898447	/nfs/dbraw/zinc/89/84/47/556898447.db2.gz	VGLCGSCPWYCXDU-UHFFFAOYSA-N	1	0	429.952	3.156	50	0		IGAARO
Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1	ZINC000020102895	556980819	/nfs/dbraw/zinc/98/08/19/556980819.db2.gz	CAVYJRHTAWEVOM-UHFFFAOYSA-N	1	0	435.568	3.280	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)c(C)c1C	ZINC000020271834	557004821	/nfs/dbraw/zinc/00/48/21/557004821.db2.gz	KURJXCDLEKQOSX-FQEVSTJZSA-N	1	0	426.586	3.386	50	0		IGAARO
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1	ZINC000022938871	557053421	/nfs/dbraw/zinc/05/34/21/557053421.db2.gz	OVNKRHBYSCHJFM-UHFFFAOYSA-N	1	0	442.560	3.242	50	0		IGAARO
C[C@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3nc4ccccc4c(=O)[nH]3)cc2)C[C@H](C)O1	ZINC000048287894	557053684	/nfs/dbraw/zinc/05/36/84/557053684.db2.gz	UVHPVJQCDLSYRR-OALUTQOASA-N	1	0	448.567	3.171	50	0		IGAARO
COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000022942527	557053841	/nfs/dbraw/zinc/05/38/41/557053841.db2.gz	VPVZSJWIKJRMGN-UHFFFAOYSA-N	1	0	443.769	3.362	50	0		IGAARO
COc1ccccc1/C=C(\C(=O)N(CC[NH+](C)C)Cc1ccccc1)n1ccccc1=O	ZINC000023017929	557057728	/nfs/dbraw/zinc/05/77/28/557057728.db2.gz	ZKMHBQVCFOBIPJ-FCDQGJHFSA-N	1	0	431.536	3.445	50	0		IGAARO
Cc1ccsc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	ZINC000023129318	557066355	/nfs/dbraw/zinc/06/63/55/557066355.db2.gz	AQTBCYOBSYJUNM-AWEZNQCLSA-N	1	0	431.512	3.476	50	0		IGAARO
CCc1ccc(C[NH+]2CCC([C@@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1	ZINC000014888643	557077465	/nfs/dbraw/zinc/07/74/65/557077465.db2.gz	YDNYLXDSLQHEIH-XMMPIXPASA-N	1	0	425.529	3.226	50	0		IGAARO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1	ZINC000023257757	557079926	/nfs/dbraw/zinc/07/99/26/557079926.db2.gz	CFKXIQMQPJNDHI-UHFFFAOYSA-N	1	0	445.611	3.372	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1	ZINC000004760140	557090407	/nfs/dbraw/zinc/09/04/07/557090407.db2.gz	NEIRDXPFMZLWKS-NHCUHLMSSA-N	1	0	445.585	3.134	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Br)CC1	ZINC000016393849	557151091	/nfs/dbraw/zinc/15/10/91/557151091.db2.gz	ZDORLXXGBZQJMO-UHFFFAOYSA-N	1	0	433.375	3.328	50	0		IGAARO
CCOc1ccccc1C(=O)NCC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC	ZINC000011557479	557183917	/nfs/dbraw/zinc/18/39/17/557183917.db2.gz	NXGHXOBKASDKOZ-UHFFFAOYSA-N	1	0	437.544	3.145	50	0		IGAARO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000096402890	557199887	/nfs/dbraw/zinc/19/98/87/557199887.db2.gz	POZCJRCEFZTKLD-ZHSNQQFMSA-N	1	0	439.874	3.219	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c2cccs2)CC1	ZINC000025382158	557206627	/nfs/dbraw/zinc/20/66/27/557206627.db2.gz	QHDAPNCDPOSECJ-LJQANCHMSA-N	1	0	440.569	3.003	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C	ZINC000026566947	557245186	/nfs/dbraw/zinc/24/51/86/557245186.db2.gz	HCOUQBUBTVKBKQ-JOCHJYFZSA-N	1	0	444.526	3.418	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21	ZINC000101266200	557268596	/nfs/dbraw/zinc/26/85/96/557268596.db2.gz	FDIDDYKYJCSPRC-PBWVOLNLSA-N	1	0	441.940	3.018	50	0		IGAARO
O=C1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1	ZINC000101076787	557282334	/nfs/dbraw/zinc/28/23/34/557282334.db2.gz	LKWFPIJVILFXEG-HXUWFJFHSA-N	1	0	442.357	3.335	50	0		IGAARO
O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCN(c2ccccc2)CC1	ZINC000101408754	557284068	/nfs/dbraw/zinc/28/40/68/557284068.db2.gz	NVMNFINBQQPFAD-UHFFFAOYSA-N	1	0	431.536	3.226	50	0		IGAARO
Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1Cl	ZINC000101490867	557288285	/nfs/dbraw/zinc/28/82/85/557288285.db2.gz	UBUPOKBQSKCYTL-LJQANCHMSA-N	1	0	441.915	3.337	50	0		IGAARO
COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@@H]1c1ccsc1	ZINC000102746781	557307031	/nfs/dbraw/zinc/30/70/31/557307031.db2.gz	HPEVMWALQZBBRD-LJQANCHMSA-N	1	0	446.598	3.098	50	0		IGAARO
Cc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)NCC[NH+]4CCCCCC4)c3)c2n1	ZINC000033298074	557330711	/nfs/dbraw/zinc/33/07/11/557330711.db2.gz	GEEQUPDZSYCZSL-UHFFFAOYSA-N	1	0	441.601	3.476	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000247857097	557363818	/nfs/dbraw/zinc/36/38/18/557363818.db2.gz	UMKHRNCSXVCCLL-UNMCSNQZSA-N	1	0	432.511	3.302	50	0		IGAARO
Cc1cccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)c1	ZINC000575317398	557463068	/nfs/dbraw/zinc/46/30/68/557463068.db2.gz	OAMIHEFYBHAYEB-HSZRJFAPSA-N	1	0	434.584	3.366	50	0		IGAARO
CC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1	ZINC000105060742	557475695	/nfs/dbraw/zinc/47/56/95/557475695.db2.gz	AIOKFQCGFPLLAY-JPYJTQIMSA-N	1	0	425.598	3.473	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1	ZINC000020383881	563024560	/nfs/dbraw/zinc/02/45/60/563024560.db2.gz	ODZGGFVEAUYXIB-FQEVSTJZSA-N	1	0	443.661	3.273	50	0		IGAARO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1	ZINC000055089542	563142283	/nfs/dbraw/zinc/14/22/83/563142283.db2.gz	BWICVVYDJKFJDL-HXUWFJFHSA-N	1	0	426.561	3.046	50	0		IGAARO
Cn1nnnc1SCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1	ZINC000261492183	568734392	/nfs/dbraw/zinc/73/43/92/568734392.db2.gz	TUOYBWGYTXELKY-UHFFFAOYSA-N	1	0	440.964	3.052	50	0		IGAARO
Cc1cccc(Cn2nc(C[NH2+]CCCSc3nnnn3C)c(-c3ccccc3)n2)c1	ZINC000261492436	568734874	/nfs/dbraw/zinc/73/48/74/568734874.db2.gz	AQMHRKCZPKIYBU-UHFFFAOYSA-N	1	0	434.573	3.097	50	0		IGAARO
O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1	ZINC000299767770	568756422	/nfs/dbraw/zinc/75/64/22/568756422.db2.gz	OCGWUHKRXXZOSY-HSZRJFAPSA-N	1	0	431.540	3.211	50	0		IGAARO
Cc1nn(C)cc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1	ZINC000299769305	568756666	/nfs/dbraw/zinc/75/66/66/568756666.db2.gz	WMDQLFFWLLDOCL-UPXASZCJSA-N	1	0	447.627	3.188	50	0		IGAARO
COc1ccc(-c2cc3n(n2)[C@H](NC2CC[NH+](Cc4ccccc4)CC2)CNC3=O)cc1	ZINC000263615797	568776129	/nfs/dbraw/zinc/77/61/29/568776129.db2.gz	FGQRCEYGLNMCOX-DEOSSOPVSA-N	1	0	431.540	3.055	50	0		IGAARO
Cc1ccc(C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c2ccccn2)cc1	ZINC000084148777	568795232	/nfs/dbraw/zinc/79/52/32/568795232.db2.gz	IWRNQURESMBARK-JOCHJYFZSA-N	1	0	426.480	3.009	50	0		IGAARO
CCOC(=O)c1c(C)oc2ncnc(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c21	ZINC000015727234	568812691	/nfs/dbraw/zinc/81/26/91/568812691.db2.gz	VBJGVPOIKCSRFD-UHFFFAOYSA-N	1	0	441.507	3.471	50	0		IGAARO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)CC1	ZINC000015731216	568814515	/nfs/dbraw/zinc/81/45/15/568814515.db2.gz	DFZLDFGZVCQLEV-MRXNPFEDSA-N	1	0	439.647	3.403	50	0		IGAARO
Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2n1	ZINC000015735914	568816902	/nfs/dbraw/zinc/81/69/02/568816902.db2.gz	IAUPYCYRTAIXON-UHFFFAOYSA-N	1	0	442.567	3.403	50	0		IGAARO
O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CCN(c2nc3cccnc3s2)CC1	ZINC000015770249	568822337	/nfs/dbraw/zinc/82/23/37/568822337.db2.gz	MZJYUMLQKNPHKY-UHFFFAOYSA-N	1	0	435.597	3.472	50	0		IGAARO
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(OCC)c(OCC)c2)C3)CC1	ZINC000015779585	568825000	/nfs/dbraw/zinc/82/50/00/568825000.db2.gz	KBNZQFFOYRNNMF-UHFFFAOYSA-N	1	0	439.604	3.364	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C	ZINC000575443968	568869759	/nfs/dbraw/zinc/86/97/59/568869759.db2.gz	FEXUYIURTHKPTA-AZUAARDMSA-N	1	0	428.577	3.215	50	0		IGAARO
CCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000006264302	568881338	/nfs/dbraw/zinc/88/13/38/568881338.db2.gz	MSJJTVWAATYDKJ-RVSNTGDXSA-N	1	0	434.577	3.297	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCC[C@H](C)[NH+]4CCCC4)CC3)[nH]c2c1	ZINC000035562006	568893502	/nfs/dbraw/zinc/89/35/02/568893502.db2.gz	XPQILIMYVFSIBM-SFHVURJKSA-N	1	0	440.588	3.409	50	0		IGAARO
COc1ccc(-c2noc(CCCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1OC	ZINC000230207737	568902122	/nfs/dbraw/zinc/90/21/22/568902122.db2.gz	GEMVQONVDFUQKH-OALUTQOASA-N	1	0	442.560	3.457	50	0		IGAARO
CCn1c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000239310315	568911210	/nfs/dbraw/zinc/91/12/10/568911210.db2.gz	IIQAPTLAXKIVSR-OALUTQOASA-N	1	0	446.617	3.089	50	0		IGAARO
NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000242305009	568912762	/nfs/dbraw/zinc/91/27/62/568912762.db2.gz	YUAAPMQCVYTONT-HPBDAGMYSA-N	1	0	426.542	3.137	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12	ZINC000247854315	568918864	/nfs/dbraw/zinc/91/88/64/568918864.db2.gz	CAJNLWNSIOWMER-IBSUQTTCSA-N	1	0	449.938	3.494	50	0		IGAARO
C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1	ZINC000036068594	568945359	/nfs/dbraw/zinc/94/53/59/568945359.db2.gz	DNERYXVMJMHTJF-UHFFFAOYSA-N	1	0	428.483	3.447	50	0		IGAARO
CC[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064776097	568955111	/nfs/dbraw/zinc/95/51/11/568955111.db2.gz	NZZBZKPPBQRKHP-OAQYLSRUSA-N	1	0	435.572	3.316	50	0		IGAARO
Cc1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nc(N2CCCCC2)[nH+]1	ZINC000064799796	568961285	/nfs/dbraw/zinc/96/12/85/568961285.db2.gz	CNAAGXPUZVIJOI-UHFFFAOYSA-N	1	0	434.338	3.093	50	0		IGAARO
COCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000169678924	568990365	/nfs/dbraw/zinc/99/03/65/568990365.db2.gz	PLFUDBZSNURWRP-UNMCSNQZSA-N	1	0	447.501	3.331	50	0		IGAARO
CCCCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1	ZINC000065025425	569090669	/nfs/dbraw/zinc/09/06/69/569090669.db2.gz	NPTFLJLKGMMDPU-UHFFFAOYSA-N	1	0	439.560	3.014	50	0		IGAARO
C[C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000065062288	569097492	/nfs/dbraw/zinc/09/74/92/569097492.db2.gz	QDXIRMIGHLOINH-OAHLLOKOSA-N	1	0	448.054	3.040	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1	ZINC000036390951	569097644	/nfs/dbraw/zinc/09/76/44/569097644.db2.gz	GDKGEMUZHSLXAT-HDICACEKSA-N	1	0	445.585	3.204	50	0		IGAARO
CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3cccc(Cl)c3Cl)cn2)CC1	ZINC000036392106	569098223	/nfs/dbraw/zinc/09/82/23/569098223.db2.gz	YHMJGUUKNZKBRV-UHFFFAOYSA-N	1	0	429.373	3.009	50	0		IGAARO
C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccc(-c5cccnc5)nc4s3)CC2)CC1	ZINC000065272155	569128979	/nfs/dbraw/zinc/12/89/79/569128979.db2.gz	SVODIZZICGDJDM-UHFFFAOYSA-N	1	0	436.585	3.180	50	0		IGAARO
O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)c1ccc(Br)cc1	ZINC000239578935	569139597	/nfs/dbraw/zinc/13/95/97/569139597.db2.gz	DBKCCRLCKMYZAN-UHFFFAOYSA-N	1	0	433.437	3.335	50	0		IGAARO
C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000170606616	569144396	/nfs/dbraw/zinc/14/43/96/569144396.db2.gz	BJDFDRUOCUMSMI-JTSKRJEESA-N	1	0	438.553	3.304	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000251920490	569170250	/nfs/dbraw/zinc/17/02/50/569170250.db2.gz	AMZNLDQBZRCRRJ-JYEBCORGSA-N	1	0	429.520	3.297	50	0		IGAARO
COc1cccc(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)c1	ZINC000002125681	569183987	/nfs/dbraw/zinc/18/39/87/569183987.db2.gz	HDQONPFINLODRO-IOPHYCJLSA-N	1	0	440.584	3.102	50	0		IGAARO
COc1cccc(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)c1	ZINC000002125680	569184047	/nfs/dbraw/zinc/18/40/47/569184047.db2.gz	HDQONPFINLODRO-XJAVGTOASA-N	1	0	440.584	3.102	50	0		IGAARO
O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000252527899	569189756	/nfs/dbraw/zinc/18/97/56/569189756.db2.gz	DPRVIEIJLMKGRV-HSZRJFAPSA-N	1	0	442.519	3.274	50	0		IGAARO
Cc1s/c(=N\C(=O)c2cccc(C)c2)n(Cc2ccc(C(=O)NCC[NH+](C)C)o2)c1C	ZINC000037436533	569196202	/nfs/dbraw/zinc/19/62/02/569196202.db2.gz	DPDFPJXCHQILQQ-BZZOAKBMSA-N	1	0	440.569	3.149	50	0		IGAARO
Cc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819669	569211382	/nfs/dbraw/zinc/21/13/82/569211382.db2.gz	ACXNQFHRVYSNLS-QHCPKHFHSA-N	1	0	434.584	3.366	50	0		IGAARO
CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1	ZINC000581819776	569211619	/nfs/dbraw/zinc/21/16/19/569211619.db2.gz	KHBCGOCZCKSBEH-JOCHJYFZSA-N	1	0	447.595	3.018	50	0		IGAARO
Cc1nc2sc([C@H](c3ccccc3)[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([O-])n2n1	ZINC000225417722	569299246	/nfs/dbraw/zinc/29/92/46/569299246.db2.gz	JYNOHJXNZHZNPG-SYNHAJSKSA-N	1	0	433.537	3.175	50	0		IGAARO
COc1cc(C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(Br)cc1O	ZINC000078823024	569319439	/nfs/dbraw/zinc/31/94/39/569319439.db2.gz	LICCGSSTADIADZ-OAHLLOKOSA-N	1	0	434.334	3.281	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCC(C)CC3)cc12	ZINC000020136108	569335765	/nfs/dbraw/zinc/33/57/65/569335765.db2.gz	ULZABYWGAAQDJS-UHFFFAOYSA-N	1	0	437.588	3.272	50	0		IGAARO
Cn1c(=O)cc(OCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21	ZINC000020280414	569358629	/nfs/dbraw/zinc/35/86/29/569358629.db2.gz	LSRYDMOWPHZKIP-UHFFFAOYSA-N	1	0	433.552	3.478	50	0		IGAARO
C[NH+]1CCN(C[C@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)c2ccccc2)CC1	ZINC000095455038	569368522	/nfs/dbraw/zinc/36/85/22/569368522.db2.gz	IPZJZBGUIZOTFK-IBGZPJMESA-N	1	0	448.539	3.045	50	0		IGAARO
Cc1csc2ncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)c(=O)n12	ZINC000095463690	569370242	/nfs/dbraw/zinc/37/02/42/569370242.db2.gz	BCKDWSCDRBUZTC-UHFFFAOYSA-N	1	0	438.475	3.287	50	0		IGAARO
COc1cc(OC)c(NC(=O)N2CCN(c3cn[nH+]c(N4CCCC4)c3)CC2)cc1Cl	ZINC000096121060	569385059	/nfs/dbraw/zinc/38/50/59/569385059.db2.gz	RZDVCHKRNQQCEE-UHFFFAOYSA-N	1	0	446.939	3.102	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000230080342	569434147	/nfs/dbraw/zinc/43/41/47/569434147.db2.gz	NRDQZTCWQCIOSU-FYYLOGMGSA-N	1	0	437.588	3.174	50	0		IGAARO
CCC1CCC2(CC1)NC(=O)N(CC(=O)N(c1ccccc1)C1CC[NH+](CC)CC1)C2=O	ZINC000058008573	569444720	/nfs/dbraw/zinc/44/47/20/569444720.db2.gz	JNBJIJSGZXDWIO-UHFFFAOYSA-N	1	0	440.588	3.395	50	0		IGAARO
COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)[NH+]2CCCC2)cc1	ZINC000008313979	569462637	/nfs/dbraw/zinc/46/26/37/569462637.db2.gz	CGVKYHIQYLCILQ-PZJWPPBQSA-N	1	0	425.554	3.451	50	0		IGAARO
CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1cccc(Br)c1	ZINC000067286182	569466954	/nfs/dbraw/zinc/46/69/54/569466954.db2.gz	PYKNNLBKGUDNLD-GOSISDBHSA-N	1	0	436.350	3.496	50	0		IGAARO
O=C(CNC(=O)c1cccc(Br)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000039976198	569482223	/nfs/dbraw/zinc/48/22/23/569482223.db2.gz	LQDNFAKXHFSBKS-LJQANCHMSA-N	1	0	430.346	3.132	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1	ZINC000040121717	569489552	/nfs/dbraw/zinc/48/95/52/569489552.db2.gz	PWDLXGGQDYFQGO-FQEVSTJZSA-N	1	0	430.574	3.425	50	0		IGAARO
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000040155916	569494031	/nfs/dbraw/zinc/49/40/31/569494031.db2.gz	HKSGGLYCRJJWJX-JOCHJYFZSA-N	1	0	442.629	3.221	50	0		IGAARO
C[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245328840	569504054	/nfs/dbraw/zinc/50/40/54/569504054.db2.gz	QAZJRAZPCXOPMT-HRAATJIYSA-N	1	0	432.561	3.485	50	0		IGAARO
CC[C@H](C)[N@H+](CCCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccco1	ZINC000009211340	569511753	/nfs/dbraw/zinc/51/17/53/569511753.db2.gz	SJHZLVJHVNYDMI-KRWDZBQOSA-N	1	0	435.528	3.278	50	0		IGAARO
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2	ZINC000069878019	569522643	/nfs/dbraw/zinc/52/26/43/569522643.db2.gz	QJXZKLWMAOLDQQ-QGZVFWFLSA-N	1	0	449.530	3.134	50	0		IGAARO
Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCC[N@H+]1CCCC[C@H]1C)C(=O)CS2	ZINC000009687017	569560775	/nfs/dbraw/zinc/56/07/75/569560775.db2.gz	FJUZAPHVFLCNEH-QGZVFWFLSA-N	1	0	441.601	3.000	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(OC)cc2)c2c1CCCC2	ZINC000009746984	569565780	/nfs/dbraw/zinc/56/57/80/569565780.db2.gz	CYBGQADHFCVTPE-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
Cn1c(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nnc1-c1ccccc1F	ZINC000009812694	569569077	/nfs/dbraw/zinc/56/90/77/569569077.db2.gz	QEMKOIZJGHCQTN-UHFFFAOYSA-N	1	0	439.560	3.494	50	0		IGAARO
COc1ccc(CCNC(=O)C[NH+]2CCC(COCc3ccc(F)cc3)CC2)cc1OC	ZINC000077191539	569585963	/nfs/dbraw/zinc/58/59/63/569585963.db2.gz	NXXTXENVDWMFJX-UHFFFAOYSA-N	1	0	444.547	3.430	50	0		IGAARO
COCCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1=O	ZINC000008611700	132288399	/nfs/dbraw/zinc/28/83/99/132288399.db2.gz	YXCZYODVBURRKS-RUZDIDTESA-N	1	0	433.552	3.420	50	0		IGAARO
CC[NH+]1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccc(C)cc4)c3=O)cc2)CC1	ZINC000009680471	132325677	/nfs/dbraw/zinc/32/56/77/132325677.db2.gz	QRMQMJIQQVOCHR-UHFFFAOYSA-N	1	0	428.540	3.330	50	0		IGAARO
Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12	ZINC000011782831	132339547	/nfs/dbraw/zinc/33/95/47/132339547.db2.gz	KUOXDPGLMTYCEV-KRWDZBQOSA-N	1	0	436.535	3.375	50	0		IGAARO
CC(C)[NH2+][C@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)C1	ZINC000058191733	519738970	/nfs/dbraw/zinc/73/89/70/519738970.db2.gz	NHEUWGPYJWSLIK-KRWDZBQOSA-N	1	0	429.634	3.369	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12	ZINC000020519349	519828483	/nfs/dbraw/zinc/82/84/83/519828483.db2.gz	CERVQWSURWLYBL-VOLVWJTLSA-N	1	0	441.890	3.056	50	0		IGAARO
CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1	ZINC000012303822	519947955	/nfs/dbraw/zinc/94/79/55/519947955.db2.gz	MIEWHWDIUAOVMJ-UHFFFAOYSA-N	1	0	448.011	3.452	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(OC)c1	ZINC000012741598	520861199	/nfs/dbraw/zinc/86/11/99/520861199.db2.gz	GIMYSGFZQDCDAF-LJQANCHMSA-N	1	0	428.558	3.056	50	0		IGAARO
CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2)CC1	ZINC000021659320	521677124	/nfs/dbraw/zinc/67/71/24/521677124.db2.gz	RXJBNMMMNVKJRM-UHFFFAOYSA-N	1	0	431.540	3.395	50	0		IGAARO
CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1	ZINC000035592085	521687009	/nfs/dbraw/zinc/68/70/09/521687009.db2.gz	CZLGJFPWHMQGFI-UHFFFAOYSA-N	1	0	442.940	3.412	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c(Cl)c1	ZINC000012373711	521786688	/nfs/dbraw/zinc/78/66/88/521786688.db2.gz	RTDAYNSCVLUNBT-SFHVURJKSA-N	1	0	433.980	3.191	50	0		IGAARO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1	ZINC000035361572	521870133	/nfs/dbraw/zinc/87/01/33/521870133.db2.gz	JNNFNKRNPILGTH-NRFANRHFSA-N	1	0	440.613	3.230	50	0		IGAARO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1	ZINC000021718176	521979879	/nfs/dbraw/zinc/97/98/79/521979879.db2.gz	GTJUSGQZAMSGSN-CALCHBBNSA-N	1	0	445.560	3.482	50	0		IGAARO
COc1cc(C(=O)N(C)Cc2nonc2C)ccc1OC1CC[NH+](C2CCCC2)CC1	ZINC000012092270	522057895	/nfs/dbraw/zinc/05/78/95/522057895.db2.gz	VSCBJYBHHXKSQY-UHFFFAOYSA-N	1	0	428.533	3.445	50	0		IGAARO
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCN1CCCO1	ZINC000012197317	522660268	/nfs/dbraw/zinc/66/02/68/522660268.db2.gz	LQRKRDLCZAVCCC-UHFFFAOYSA-N	1	0	427.511	3.446	50	0		IGAARO
COc1cc2c(c3oc(=O)c(CC(=O)NCC(C)(C)C[NH+](C)C)c(C)c13)CCC(C)(C)O2	ZINC000012899395	522994479	/nfs/dbraw/zinc/99/44/79/522994479.db2.gz	SFAHTIZABLSUDR-UHFFFAOYSA-N	1	0	444.572	3.460	50	0		IGAARO
CN(C[C@H]1COCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000012596489	523147382	/nfs/dbraw/zinc/14/73/82/523147382.db2.gz	ONDBJYUESYFSGA-VWLOTQADSA-N	1	0	438.568	3.260	50	0		IGAARO
COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CC(C)(C)CO)CC3)cc2)cc1	ZINC000012456424	523908208	/nfs/dbraw/zinc/90/82/08/523908208.db2.gz	JNBRVJJFCJGFRR-UHFFFAOYSA-N	1	0	425.573	3.453	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1Cl	ZINC000020601565	523912937	/nfs/dbraw/zinc/91/29/37/523912937.db2.gz	FGNQIPOBFFQOPK-NQIIRXRSSA-N	1	0	437.918	3.114	50	0		IGAARO
COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](C2Cc4ccccc4C2)CC3)cc1	ZINC000014731735	523944627	/nfs/dbraw/zinc/94/46/27/523944627.db2.gz	SOOYOFZPPWAUNA-UHFFFAOYSA-N	1	0	433.552	3.134	50	0		IGAARO
COc1cccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)c1	ZINC000023086390	524168577	/nfs/dbraw/zinc/16/85/77/524168577.db2.gz	BJSWSWGWXJLXBM-RUZDIDTESA-N	1	0	433.552	3.256	50	0		IGAARO
Cc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1	ZINC000012924847	524305556	/nfs/dbraw/zinc/30/55/56/524305556.db2.gz	AYLKLWPRMDEIJJ-SFHVURJKSA-N	1	0	429.586	3.314	50	0		IGAARO
COc1ccccc1-n1nc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2c1=O	ZINC000020804830	524307481	/nfs/dbraw/zinc/30/74/81/524307481.db2.gz	SEVSZVKNRPLLFX-RTBURBONSA-N	1	0	448.567	3.492	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[C@H](C)[NH+]3CCCC3)s2)cc1	ZINC000032987832	524658700	/nfs/dbraw/zinc/65/87/00/524658700.db2.gz	AENIDATUZOYEIJ-INIZCTEOSA-N	1	0	445.589	3.112	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)CCN1C(=O)CSc2ccccc21)[NH+]1CCCC1	ZINC000023795083	524730759	/nfs/dbraw/zinc/73/07/59/524730759.db2.gz	MDJMFQYKFMMNCJ-HXUWFJFHSA-N	1	0	439.581	3.477	50	0		IGAARO
C[C@H]1Cc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2N1S(C)(=O)=O	ZINC000012779691	524980446	/nfs/dbraw/zinc/98/04/46/524980446.db2.gz	BHJQPPOSZNLGRB-HNAYVOBHSA-N	1	0	433.599	3.026	50	0		IGAARO
Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1cccnc1	ZINC000022698074	525325951	/nfs/dbraw/zinc/32/59/51/525325951.db2.gz	SMAHGRGBRCSTJR-QHCPKHFHSA-N	1	0	438.959	3.296	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21	ZINC000012770185	525410717	/nfs/dbraw/zinc/41/07/17/525410717.db2.gz	OQHPSRZVKNNESK-WXTAPIANSA-N	1	0	444.535	3.465	50	0		IGAARO
Cc1ccn2c(=O)cc(C[NH+](Cc3cc(=O)n4ccc(C)cc4n3)[C@H](C)C3CC3)nc2c1	ZINC000012873802	525607558	/nfs/dbraw/zinc/60/75/58/525607558.db2.gz	LRBJUVAITUZSOV-GOSISDBHSA-N	1	0	429.524	3.120	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)[nH]c2c1	ZINC000035454102	525621078	/nfs/dbraw/zinc/62/10/78/525621078.db2.gz	JWQLKGSLVHOPBP-GOSISDBHSA-N	1	0	440.588	3.409	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843152	526213723	/nfs/dbraw/zinc/21/37/23/526213723.db2.gz	OITGREQAXLVEJB-CROMWVBPSA-N	1	0	439.874	3.219	50	0		IGAARO
O=C(C1CC[NH+](C2CCN(C/C(Cl)=C/c3ccccc3)CC2)CC1)N1CCOCC1	ZINC000020451905	526303708	/nfs/dbraw/zinc/30/37/08/526303708.db2.gz	XCSWJOCJIQINMB-PYCFMQQDSA-N	1	0	432.008	3.302	50	0		IGAARO
O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1	ZINC000012387253	526554402	/nfs/dbraw/zinc/55/44/02/526554402.db2.gz	TUWBFEHIEOXSRD-NRFANRHFSA-N	1	0	444.583	3.366	50	0		IGAARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012846049	526746360	/nfs/dbraw/zinc/74/63/60/526746360.db2.gz	HQKNRYCPOLMHPI-UHFFFAOYSA-N	1	0	441.597	3.387	50	0		IGAARO
O=C1CCCc2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2N1	ZINC000021888171	526984855	/nfs/dbraw/zinc/98/48/55/526984855.db2.gz	ZEQDIJFIDAFEJO-UHFFFAOYSA-N	1	0	445.560	3.291	50	0		IGAARO
O=C(COc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2	ZINC000012194016	526985912	/nfs/dbraw/zinc/98/59/12/526985912.db2.gz	GEMDHLHCAOSOPO-UHFFFAOYSA-N	1	0	441.535	3.185	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12	ZINC000020611461	527091286	/nfs/dbraw/zinc/09/12/86/527091286.db2.gz	RYAXDTKARVYBRK-IQXSCUCBSA-N	1	0	443.547	3.373	50	0		IGAARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000012766409	527200180	/nfs/dbraw/zinc/20/01/80/527200180.db2.gz	CVKVDZNZMLXKOI-UHFFFAOYSA-N	1	0	446.477	3.083	50	0		IGAARO
O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3c2OCO3)CC1)c1ccc2c(c1)OCO2	ZINC000012439319	527462013	/nfs/dbraw/zinc/46/20/13/527462013.db2.gz	XYOUVVRIVYNHET-UHFFFAOYSA-N	1	0	448.479	3.430	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc2sc3c(n2c1=O)CCCCC3	ZINC000035430458	527531097	/nfs/dbraw/zinc/53/10/97/527531097.db2.gz	LRWVSYQDTCKJTD-UHFFFAOYSA-N	1	0	436.581	3.419	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000040744453	527580133	/nfs/dbraw/zinc/58/01/33/527580133.db2.gz	DWGJFNRBGFGAGC-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000040744456	527580450	/nfs/dbraw/zinc/58/04/50/527580450.db2.gz	XLQJCSAXTJPQNT-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)n1	ZINC000009620874	535520557	/nfs/dbraw/zinc/52/05/57/535520557.db2.gz	OJYVNIJSKIOZBM-UHFFFAOYSA-N	1	0	437.569	3.395	50	0		IGAARO
COc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1OC	ZINC000034682849	555817518	/nfs/dbraw/zinc/81/75/18/555817518.db2.gz	FJRBQHFLNXXWEE-UHFFFAOYSA-N	1	0	426.513	3.493	50	0		IGAARO
COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1	ZINC000008770309	556213416	/nfs/dbraw/zinc/21/34/16/556213416.db2.gz	UTGUYCBOLFTNOE-IBGZPJMESA-N	1	0	442.313	3.403	50	0		IGAARO
Cn1nnnc1SCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1	ZINC000010475044	556335771	/nfs/dbraw/zinc/33/57/71/556335771.db2.gz	RNWGDKWGVQIXIQ-UHFFFAOYSA-N	1	0	434.363	3.434	50	0		IGAARO
CC[NH+]1CCN(Cc2nc3ccccc3c(N(C)Cc3ccc(OC)c(OC)c3)n2)CC1	ZINC000022923339	556341558	/nfs/dbraw/zinc/34/15/58/556341558.db2.gz	AMMAYMQOORSZLS-UHFFFAOYSA-N	1	0	435.572	3.421	50	0		IGAARO
CC(C)C(=O)NCCc1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2	ZINC000011814168	556357501	/nfs/dbraw/zinc/35/75/01/556357501.db2.gz	MCTMZCUWRYAYOB-UHFFFAOYSA-N	1	0	447.583	3.230	50	0		IGAARO
CC[N@@H+]1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1	ZINC000011819096	556360973	/nfs/dbraw/zinc/36/09/73/556360973.db2.gz	QKMAYWSENUDWRE-JOCHJYFZSA-N	1	0	446.661	3.473	50	0		IGAARO
O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011840862	556364951	/nfs/dbraw/zinc/36/49/51/556364951.db2.gz	NERASBGDHYKBJC-XMMPIXPASA-N	1	0	449.595	3.475	50	0		IGAARO
COCCc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)cn1	ZINC000011936620	556378819	/nfs/dbraw/zinc/37/88/19/556378819.db2.gz	XFMNDMZUMOXQHJ-HXUWFJFHSA-N	1	0	434.544	3.010	50	0		IGAARO
O=C(CN1CCCCC1=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000011938596	556379916	/nfs/dbraw/zinc/37/99/16/556379916.db2.gz	QKXARWMHHYCQTK-QFIPXVFZSA-N	1	0	426.605	3.467	50	0		IGAARO
CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)CC1	ZINC000012024973	556387456	/nfs/dbraw/zinc/38/74/56/556387456.db2.gz	NBKRDNFJSXFZRJ-OAQYLSRUSA-N	1	0	438.572	3.081	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1Cl	ZINC000032578260	556404816	/nfs/dbraw/zinc/40/48/16/556404816.db2.gz	FKZKGULZLVWLLS-NQIIRXRSSA-N	1	0	437.918	3.114	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2	ZINC000014541252	556425566	/nfs/dbraw/zinc/42/55/66/556425566.db2.gz	QYHBPLZSDFFAGW-UHFFFAOYSA-N	1	0	441.528	3.124	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2	ZINC000032843138	556428295	/nfs/dbraw/zinc/42/82/95/556428295.db2.gz	JYCNNEDJSSRMJR-WATLYSKOSA-N	1	0	427.541	3.208	50	0		IGAARO
COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C	ZINC000014746254	556441163	/nfs/dbraw/zinc/44/11/63/556441163.db2.gz	ZHUOHOHWVYIXTO-FQEVSTJZSA-N	1	0	430.593	3.194	50	0		IGAARO
COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014750912	556443232	/nfs/dbraw/zinc/44/32/32/556443232.db2.gz	OPYQXJXIRJUICO-LJQANCHMSA-N	1	0	431.577	3.027	50	0		IGAARO
COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014750914	556443365	/nfs/dbraw/zinc/44/33/65/556443365.db2.gz	OPYQXJXIRJUICO-IBGZPJMESA-N	1	0	431.577	3.027	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C[N@H+](Cc2ccccc2)C1	ZINC000014753374	556444433	/nfs/dbraw/zinc/44/44/33/556444433.db2.gz	IVRVLRVKLLZKTP-MIZPHKNDSA-N	1	0	439.531	3.198	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@H](C)C1=O	ZINC000072272941	556445753	/nfs/dbraw/zinc/44/57/53/556445753.db2.gz	ISFVIRXBOPZVPM-TZIWHRDSSA-N	1	0	436.556	3.099	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl	ZINC000013068518	556452621	/nfs/dbraw/zinc/45/26/21/556452621.db2.gz	GVZKNGQRKLESST-KRWDZBQOSA-N	1	0	435.977	3.379	50	0		IGAARO
O=C(CCn1ncc(=O)c2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000013117801	556470781	/nfs/dbraw/zinc/47/07/81/556470781.db2.gz	FMEJWXNYBLSFNN-UHFFFAOYSA-N	1	0	426.520	3.284	50	0		IGAARO
O=c1c(C[NH2+][C@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1Cc1ccccc1Cl	ZINC000014984150	556472048	/nfs/dbraw/zinc/47/20/48/556472048.db2.gz	MEDKPOIMSBJQQB-SFHVURJKSA-N	1	0	434.920	3.119	50	0		IGAARO
CCOC(=O)C1CC[NH+](CCC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)CC1	ZINC000013647183	556544246	/nfs/dbraw/zinc/54/42/46/556544246.db2.gz	JBGPCDMRCVQUON-UHFFFAOYSA-N	1	0	435.908	3.212	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1	ZINC000033326771	556561737	/nfs/dbraw/zinc/56/17/37/556561737.db2.gz	JHUMHNAWEUDUNG-UHFFFAOYSA-N	1	0	430.940	3.401	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001471	556572641	/nfs/dbraw/zinc/57/26/41/556572641.db2.gz	KAGCDJKHLXHNNM-QLBZUPSYSA-N	1	0	435.911	3.388	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21	ZINC000016009966	556573710	/nfs/dbraw/zinc/57/37/10/556573710.db2.gz	AQOFEBOSIJNMET-ORGXJRBJSA-N	1	0	427.863	3.060	50	0		IGAARO
COc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1	ZINC000016363935	556603430	/nfs/dbraw/zinc/60/34/30/556603430.db2.gz	UPMUMFDETWEILU-VWLOTQADSA-N	1	0	447.535	3.288	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000016399611	556605254	/nfs/dbraw/zinc/60/52/54/556605254.db2.gz	KBJCTHCCZPMOHS-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCC[NH+]2CCCCCC2)s1	ZINC000032987333	556607398	/nfs/dbraw/zinc/60/73/98/556607398.db2.gz	RCRUCFVISZZTFR-UHFFFAOYSA-N	1	0	447.630	3.324	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[C@H](C)[NH+]3CCCC3)s2)cc1	ZINC000032995166	556610163	/nfs/dbraw/zinc/61/01/63/556610163.db2.gz	ADTBITZIVIPBBT-KRWDZBQOSA-N	1	0	429.590	3.412	50	0		IGAARO
COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1	ZINC000005057789	556628072	/nfs/dbraw/zinc/62/80/72/556628072.db2.gz	DDPODYPLPTXOCJ-JXXBKOHCSA-N	1	0	427.589	3.326	50	0		IGAARO
CCOc1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)ccc1O	ZINC000039420877	556628886	/nfs/dbraw/zinc/62/88/86/556628886.db2.gz	XYSOBJFHFCBAGW-JOCHJYFZSA-N	1	0	428.573	3.485	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1	ZINC000409414820	556640305	/nfs/dbraw/zinc/64/03/05/556640305.db2.gz	OYAHLUCCWAKOQL-XJTUCQONSA-N	1	0	441.616	3.336	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1	ZINC000409414816	556640477	/nfs/dbraw/zinc/64/04/77/556640477.db2.gz	OYAHLUCCWAKOQL-KBOSCXGNSA-N	1	0	441.616	3.336	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000409413461	556640781	/nfs/dbraw/zinc/64/07/81/556640781.db2.gz	IDLBWXARRNAEEO-SIKLNZKXSA-N	1	0	440.588	3.398	50	0		IGAARO
Cc1nn(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c(=O)c2ccccc12	ZINC000060168104	556651249	/nfs/dbraw/zinc/65/12/49/556651249.db2.gz	APIBLNRBQKDFEA-UHFFFAOYSA-N	1	0	446.473	3.314	50	0		IGAARO
C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000247985803	556654399	/nfs/dbraw/zinc/65/43/99/556654399.db2.gz	ZKLSTLYBTHUDFT-OGCDSPNFSA-N	1	0	437.499	3.226	50	0		IGAARO
Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1	ZINC000032936024	556678558	/nfs/dbraw/zinc/67/85/58/556678558.db2.gz	ZURKLIWVEOVJQW-SFHVURJKSA-N	1	0	441.597	3.100	50	0		IGAARO
O=C(CN(Cc1ccccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1	ZINC000033032451	556712758	/nfs/dbraw/zinc/71/27/58/556712758.db2.gz	VMSBQQADOZUOOV-UHFFFAOYSA-N	1	0	439.865	3.433	50	0		IGAARO
C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1)c1ccccc1	ZINC000033032593	556712865	/nfs/dbraw/zinc/71/28/65/556712865.db2.gz	NHLWJJJBMLUAKZ-KRWDZBQOSA-N	1	0	444.373	3.127	50	0		IGAARO
CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1	ZINC000033032767	556713237	/nfs/dbraw/zinc/71/32/37/556713237.db2.gz	SCPDTJBRYCRAGG-UHFFFAOYSA-N	1	0	433.474	3.342	50	0		IGAARO
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N1CCC([NH+]3CCCCC3)CC1)CC2	ZINC000019229106	556717693	/nfs/dbraw/zinc/71/76/93/556717693.db2.gz	LBMAVOPGWOTYJL-FQEVSTJZSA-N	1	0	439.604	3.093	50	0		IGAARO
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1C	ZINC000055042428	556732791	/nfs/dbraw/zinc/73/27/91/556732791.db2.gz	YAMDQTSYSDNHAM-NRFANRHFSA-N	1	0	438.572	3.235	50	0		IGAARO
CC[N@@H+]1CC[C@@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1	ZINC000019301043	556735352	/nfs/dbraw/zinc/73/53/52/556735352.db2.gz	YDIKQEIDVUYZPY-NRFANRHFSA-N	1	0	432.634	3.082	50	0		IGAARO
CCC(CC)[C@@H](CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[NH+]1CCCC1	ZINC000058224763	556773576	/nfs/dbraw/zinc/77/35/76/556773576.db2.gz	DAVFZCRMGALGPP-HXUWFJFHSA-N	1	0	436.000	3.298	50	0		IGAARO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCC(=O)N2CCc3sccc3C2)CC1	ZINC000058434602	556788210	/nfs/dbraw/zinc/78/82/10/556788210.db2.gz	LOYCHGYVHHMXLZ-UHFFFAOYSA-N	1	0	440.613	3.249	50	0		IGAARO
O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1	ZINC000058438734	556788423	/nfs/dbraw/zinc/78/84/23/556788423.db2.gz	KKGMXCZSGOKNKU-UTKZUKDTSA-N	1	0	435.590	3.025	50	0		IGAARO
O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1	ZINC000058438737	556788677	/nfs/dbraw/zinc/78/86/77/556788677.db2.gz	KKGMXCZSGOKNKU-DYESRHJHSA-N	1	0	435.590	3.025	50	0		IGAARO
Cc1cccn2c(C[NH2+]C[C@@H]3CCCN(c4ncccn4)C3)c(C(=O)N3CCCCC3)nc12	ZINC000019594855	556830332	/nfs/dbraw/zinc/83/03/32/556830332.db2.gz	HXOMVYQILSIEEA-FQEVSTJZSA-N	1	0	447.587	3.065	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)CC1	ZINC000033106316	556858874	/nfs/dbraw/zinc/85/88/74/556858874.db2.gz	DACQCDWCLXTGMZ-UHFFFAOYSA-N	1	0	445.567	3.228	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1	ZINC000033254574	556890829	/nfs/dbraw/zinc/89/08/29/556890829.db2.gz	HIMOVLIGEBUBOD-HXUWFJFHSA-N	1	0	435.634	3.024	50	0		IGAARO
CC(C)NC(=O)CC[N@@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000072128945	556898803	/nfs/dbraw/zinc/89/88/03/556898803.db2.gz	RDPJDHXGVVVUJJ-FQEVSTJZSA-N	1	0	426.527	3.207	50	0		IGAARO
CCn1c2ccccc2nc(SCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1=O	ZINC000033259833	556898955	/nfs/dbraw/zinc/89/89/55/556898955.db2.gz	AXYSKHHFAOCFPD-UHFFFAOYSA-N	1	0	436.581	3.073	50	0		IGAARO
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]CCN1CCCCC1	ZINC000019800095	556917526	/nfs/dbraw/zinc/91/75/26/556917526.db2.gz	JDGAUWPRIUDXDP-UHFFFAOYSA-N	1	0	425.602	3.286	50	0		IGAARO
CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CNCC[NH+](CC)CC	ZINC000019830743	556926266	/nfs/dbraw/zinc/92/62/66/556926266.db2.gz	NCLRCXZZFYEXIV-UHFFFAOYSA-N	1	0	426.355	3.255	50	0		IGAARO
COc1cc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc(OC)c1OC	ZINC000019831630	556926808	/nfs/dbraw/zinc/92/68/08/556926808.db2.gz	UNQMKMNCFILAKS-UHFFFAOYSA-N	1	0	439.600	3.495	50	0		IGAARO
Cn1c2ccccc2nc1-c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21	ZINC000020403507	557013494	/nfs/dbraw/zinc/01/34/94/557013494.db2.gz	PNUYLKSZWAUACZ-UHFFFAOYSA-N	1	0	441.539	3.443	50	0		IGAARO
CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)CC1	ZINC000017288707	557045568	/nfs/dbraw/zinc/04/55/68/557045568.db2.gz	LCTIUJLRWFPDLP-UHFFFAOYSA-N	1	0	443.511	3.430	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[NH+]1CCCC1	ZINC000048331769	557069570	/nfs/dbraw/zinc/06/95/70/557069570.db2.gz	IMTYPCSPZLRXRI-QFIPXVFZSA-N	1	0	447.539	3.259	50	0		IGAARO
COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C(C)C)CC1)n(-c1cc(C)cc(C)c1)c2=O	ZINC000033300593	557082453	/nfs/dbraw/zinc/08/24/53/557082453.db2.gz	OZUIDFFVBVZUHJ-UHFFFAOYSA-N	1	0	434.540	3.320	50	0		IGAARO
CSc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1	ZINC000049400797	557096251	/nfs/dbraw/zinc/09/62/51/557096251.db2.gz	VSLCUSNKYGAQPY-UHFFFAOYSA-N	1	0	434.565	3.471	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)[NH+]2CCCCC2)cc1	ZINC000023554952	557098134	/nfs/dbraw/zinc/09/81/34/557098134.db2.gz	BXGOSKOVBBBWGO-QHCPKHFHSA-N	1	0	449.551	3.415	50	0		IGAARO
O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCC[NH2+]1	ZINC000095930152	557162393	/nfs/dbraw/zinc/16/23/93/557162393.db2.gz	ISOCDPQFIXDIMS-QHCPKHFHSA-N	1	0	444.539	3.414	50	0	in-man	IGAARO
O=C(CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCCC1	ZINC000025129976	557196107	/nfs/dbraw/zinc/19/61/07/557196107.db2.gz	JGSXMBAJFJOFHJ-JOCHJYFZSA-N	1	0	448.611	3.176	50	0		IGAARO
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1	ZINC000011614667	557211227	/nfs/dbraw/zinc/21/12/27/557211227.db2.gz	YVWYGIYERDABIY-IBGZPJMESA-N	1	0	440.883	3.340	50	0		IGAARO
COc1ccc(C[NH+]2CCC(Nc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)CC2)cc1F	ZINC000069981224	557248016	/nfs/dbraw/zinc/24/80/16/557248016.db2.gz	CLBSBFMPZHEGDX-UHFFFAOYSA-N	1	0	428.512	3.099	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc(N3CCOCC3)nc2)c2cccs2)CC1	ZINC000027334782	557260585	/nfs/dbraw/zinc/26/05/85/557260585.db2.gz	RTAZJUHGAIMEDQ-FQEVSTJZSA-N	1	0	443.617	3.252	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101344762	557279489	/nfs/dbraw/zinc/27/94/89/557279489.db2.gz	ZNIAEOAOTYSHDY-FLFXDLLNSA-N	1	0	435.911	3.388	50	0		IGAARO
O=C(Nc1ccccc1O)C1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1	ZINC000101490847	557288275	/nfs/dbraw/zinc/28/82/75/557288275.db2.gz	OVZXHIVOZFWLBH-SFHVURJKSA-N	1	0	445.878	3.167	50	0		IGAARO
COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCC3)N2[C@H]1c1ccsc1	ZINC000102746779	557307045	/nfs/dbraw/zinc/30/70/45/557307045.db2.gz	HPEVMWALQZBBRD-IBGZPJMESA-N	1	0	446.598	3.098	50	0		IGAARO
Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1	ZINC000033315263	557332913	/nfs/dbraw/zinc/33/29/13/557332913.db2.gz	HDPWMJZWSFFTFM-LJQANCHMSA-N	1	0	430.622	3.154	50	0		IGAARO
Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nnn1-c1ccc(Br)cc1	ZINC000051317451	557469241	/nfs/dbraw/zinc/46/92/41/557469241.db2.gz	MOBMJEIMEXRBDS-UHFFFAOYSA-N	1	0	432.366	3.429	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)C1	ZINC000109041649	557545333	/nfs/dbraw/zinc/54/53/33/557545333.db2.gz	AEVSRLZHANTXSV-CLOONOSVSA-N	1	0	440.588	3.004	50	0		IGAARO
C[C@@H](NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000225414262	557720225	/nfs/dbraw/zinc/72/02/25/557720225.db2.gz	YZAQNCAVJAWNLG-DLBZAZTESA-N	1	0	448.583	3.258	50	0		IGAARO
Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1S(C)(=O)=O	ZINC000685939938	557838835	/nfs/dbraw/zinc/83/88/35/557838835.db2.gz	RPIHIUBUEMRAJU-VQTJNVASSA-N	1	0	427.570	3.384	50	0		IGAARO
C[NH+](C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O	ZINC000003134469	562932502	/nfs/dbraw/zinc/93/25/02/562932502.db2.gz	QWPKOFHFHLFOCF-UHFFFAOYSA-N	1	0	435.368	3.226	50	0		IGAARO
Cc1ccccc1-n1nnnc1SCC(=O)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000008193563	562949051	/nfs/dbraw/zinc/94/90/51/562949051.db2.gz	ATOQRYNPYMEFFM-UHFFFAOYSA-N	1	0	428.606	3.368	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1)[NH+]1CCCC1	ZINC000013013558	562984176	/nfs/dbraw/zinc/98/41/76/562984176.db2.gz	QLKKAEXFJWPKSX-JTHBVZDNSA-N	1	0	435.568	3.305	50	0		IGAARO
Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3c2c1	ZINC000020321886	563024513	/nfs/dbraw/zinc/02/45/13/563024513.db2.gz	GKMXWTJHUDLKQM-UHFFFAOYSA-N	1	0	430.508	3.232	50	0		IGAARO
CCC[NH+]1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1	ZINC000020416992	563024851	/nfs/dbraw/zinc/02/48/51/563024851.db2.gz	INVXMDXHQILUPG-UHFFFAOYSA-N	1	0	435.572	3.138	50	0		IGAARO
COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)CC2)c1	ZINC000248094062	568633831	/nfs/dbraw/zinc/63/38/31/568633831.db2.gz	WRASQHLZXUDVHG-HXUWFJFHSA-N	1	0	447.583	3.143	50	0		IGAARO
CCOC(=O)N1CCC([NH2+]Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)CC1	ZINC000299802902	568758197	/nfs/dbraw/zinc/75/81/97/568758197.db2.gz	RYNZKAVQWDBACP-UHFFFAOYSA-N	1	0	438.503	3.294	50	0		IGAARO
Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccco2)sc2nc3n(c(=O)c12)CCCCC3	ZINC000015675272	568803730	/nfs/dbraw/zinc/80/37/30/568803730.db2.gz	NGFGNRISESTHFQ-UHFFFAOYSA-N	1	0	428.558	3.290	50	0		IGAARO
Cn1cc(NC(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O	ZINC000015680504	568806296	/nfs/dbraw/zinc/80/62/96/568806296.db2.gz	WOQADQMKNIRXLU-UHFFFAOYSA-N	1	0	437.519	3.011	50	0		IGAARO
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2S1	ZINC000015730568	568814073	/nfs/dbraw/zinc/81/40/73/568814073.db2.gz	IJVYGEYRSXDPFV-INIZCTEOSA-N	1	0	433.599	3.310	50	0		IGAARO
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccco4)CC3)ccc2S1	ZINC000015730985	568814414	/nfs/dbraw/zinc/81/44/14/568814414.db2.gz	NORSRHFIWFCUIL-HNNXBMFYSA-N	1	0	449.598	3.293	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCC2)s1	ZINC000015731307	568814920	/nfs/dbraw/zinc/81/49/20/568814920.db2.gz	KXJJNMDNCFWAJN-UHFFFAOYSA-N	1	0	436.585	3.323	50	0		IGAARO
C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc1=O)CCC2	ZINC000015823740	568840152	/nfs/dbraw/zinc/84/01/52/568840152.db2.gz	ZNIREVIFDAUUEI-UHFFFAOYSA-N	1	0	441.384	3.331	50	0		IGAARO
c1ccc(C2=NN3CCC[C@H]3[C@H]2c2ccnc3cc(OCCN4CCOCC4)ccc32)nc1	ZINC000102203246	568880925	/nfs/dbraw/zinc/88/09/25/568880925.db2.gz	OOKYRHQSMYPHOE-LOSJGSFVSA-N	1	0	443.551	3.307	50	0		IGAARO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@@H]23)C1O	ZINC000245325924	568915044	/nfs/dbraw/zinc/91/50/44/568915044.db2.gz	HTVROKSUZNDXQZ-KNTRFNDTSA-N	1	0	442.874	3.323	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]1[C@H]1CCC[N@@H+]12	ZINC000247854321	568918845	/nfs/dbraw/zinc/91/88/45/568918845.db2.gz	CAJNLWNSIOWMER-QNGCPFJASA-N	1	0	449.938	3.494	50	0		IGAARO
CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1	ZINC000036095894	568951590	/nfs/dbraw/zinc/95/15/90/568951590.db2.gz	HWCJLQJZPFTAJY-LJQANCHMSA-N	1	0	445.512	3.139	50	0		IGAARO
Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(NC2CCCCC2)[nH+]1	ZINC000064814592	568964130	/nfs/dbraw/zinc/96/41/30/568964130.db2.gz	PWXFOKBZSHTBBU-UHFFFAOYSA-N	1	0	433.553	3.180	50	0		IGAARO
COc1cc(-c2noc([C@H]([NH2+]C[C@@H](O)COCC(C)C)C(C)C)n2)cc(OC)c1OC	ZINC000036160545	568967477	/nfs/dbraw/zinc/96/74/77/568967477.db2.gz	HBBWLOWJFIBYLK-VQIMIIECSA-N	1	0	437.537	3.083	50	0		IGAARO
Cn1c2c(C(=O)Nc3ccc(F)cc3F)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064836077	568969160	/nfs/dbraw/zinc/96/91/60/568969160.db2.gz	PMGBZKOVCAYSPT-UHFFFAOYSA-N	1	0	449.461	3.122	50	0		IGAARO
CCn1c2c(C(=O)Nc3ccccc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835975	568969229	/nfs/dbraw/zinc/96/92/29/568969229.db2.gz	CHEXMHZSTMWTCK-UHFFFAOYSA-N	1	0	427.508	3.327	50	0		IGAARO
O=C(CN1CC=C(c2cnn(-c3ccccc3Cl)c2)CC1)NCC[NH+]1CCCCC1	ZINC000064889428	568980042	/nfs/dbraw/zinc/98/00/42/568980042.db2.gz	VZAFOSDPAWXQKO-UHFFFAOYSA-N	1	0	427.980	3.217	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000036256337	568984996	/nfs/dbraw/zinc/98/49/96/568984996.db2.gz	JOGNBZCDQCDECN-JOCHJYFZSA-N	1	0	449.039	3.115	50	0		IGAARO
Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1-n1nnc2cccnc21	ZINC000064925650	568986553	/nfs/dbraw/zinc/98/65/53/568986553.db2.gz	LMVDFDVUDWCOGR-UHFFFAOYSA-N	1	0	426.524	3.302	50	0		IGAARO
CCCC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1	ZINC000169681193	568991707	/nfs/dbraw/zinc/99/17/07/568991707.db2.gz	HCQZECDMQRQYCA-UHFFFAOYSA-N	1	0	443.551	3.255	50	0		IGAARO
CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2)cc1	ZINC000065074847	569099319	/nfs/dbraw/zinc/09/93/19/569099319.db2.gz	UZHOBQQBVRKOAR-UHFFFAOYSA-N	1	0	440.613	3.125	50	0		IGAARO
CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)C[N@H+](Cc1ccccc1)CC2	ZINC000065153624	569112016	/nfs/dbraw/zinc/11/20/16/569112016.db2.gz	AEDYPKOTEBZSCJ-UHFFFAOYSA-N	1	0	448.542	3.381	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2cnc3nccnc3c2)C1	ZINC000065226976	569117964	/nfs/dbraw/zinc/11/79/64/569117964.db2.gz	IXIJIGMVKSJNNR-FQEVSTJZSA-N	1	0	430.556	3.022	50	0		IGAARO
Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@@H+]4CCc5ccccc5C4)CC3)o2)cc1	ZINC000065229630	569118288	/nfs/dbraw/zinc/11/82/88/569118288.db2.gz	AWGRZKLBZJUBLS-UHFFFAOYSA-N	1	0	445.567	3.436	50	0		IGAARO
COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC	ZINC000065255787	569123005	/nfs/dbraw/zinc/12/30/05/569123005.db2.gz	HJECWEZVYIHRSJ-OAQYLSRUSA-N	1	0	432.524	3.180	50	0		IGAARO
Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1	ZINC000065256344	569123324	/nfs/dbraw/zinc/12/33/24/569123324.db2.gz	IMDLJUJVTXGFDU-XMMPIXPASA-N	1	0	446.599	3.288	50	0		IGAARO
Cc1c(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)ccn1CCC(C)C	ZINC000524733025	569126900	/nfs/dbraw/zinc/12/69/00/569126900.db2.gz	MARODMRACLQHNY-UHFFFAOYSA-N	1	0	425.573	3.362	50	0		IGAARO
CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](CC)C[N@@H+]1CC(C)(C)O	ZINC000170606122	569143882	/nfs/dbraw/zinc/14/38/82/569143882.db2.gz	XJLVBEJGGDSBOL-FCEUIQTBSA-N	1	0	447.595	3.150	50	0		IGAARO
Cc1ccccc1OCc1nnc(SCC(=O)NCCC[NH+](C)C)n1-c1ccccc1	ZINC000089696805	569161343	/nfs/dbraw/zinc/16/13/43/569161343.db2.gz	WXLQKEJUNSDMPN-UHFFFAOYSA-N	1	0	439.585	3.315	50	0		IGAARO
Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1	ZINC000017012795	569170605	/nfs/dbraw/zinc/17/06/05/569170605.db2.gz	UWLNOVRMDBUCFJ-UHFFFAOYSA-N	1	0	437.569	3.029	50	0		IGAARO
COCC[NH+]1CCN(c2nc3nn(-c4cccc(C)c4)c(N)c3c(-c3cccs3)n2)CC1	ZINC000037358238	569176025	/nfs/dbraw/zinc/17/60/25/569176025.db2.gz	BTRYWOLCWHSXNH-UHFFFAOYSA-N	1	0	449.584	3.203	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1	ZINC000002154986	569187377	/nfs/dbraw/zinc/18/73/77/569187377.db2.gz	ZXBPYNJHTIRHRM-WAAOMHABSA-N	1	0	440.584	3.102	50	0		IGAARO
COc1cc(CN(C)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)ccc1OC(F)F	ZINC000037467038	569197290	/nfs/dbraw/zinc/19/72/90/569197290.db2.gz	MZXHFMNJSMABLT-ZIAGYGMSSA-N	1	0	425.476	3.433	50	0		IGAARO
Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819821	569211585	/nfs/dbraw/zinc/21/15/85/569211585.db2.gz	MYJLCJUDXUNKDT-QFIPXVFZSA-N	1	0	438.572	3.267	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000253389864	569264305	/nfs/dbraw/zinc/26/43/05/569264305.db2.gz	XRGXUDGPDOIAIG-KCOOYEKVSA-N	1	0	435.911	3.388	50	0		IGAARO
COCc1ccc(C(=O)NC2CCC([NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1	ZINC000253429589	569267511	/nfs/dbraw/zinc/26/75/11/569267511.db2.gz	TYZBXVKBXMJTDN-UHFFFAOYSA-N	1	0	431.577	3.427	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000078680211	569317606	/nfs/dbraw/zinc/31/76/06/569317606.db2.gz	AYUOEIRTMIBWEN-NRFANRHFSA-N	1	0	435.524	3.257	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCc2nc3cc(Br)cnc3[nH]2)[NH+](C)C)cc1	ZINC000079495709	569331537	/nfs/dbraw/zinc/33/15/37/569331537.db2.gz	MBSGNCXEMCXITN-QGZVFWFLSA-N	1	0	446.349	3.081	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O	ZINC000020242769	569358276	/nfs/dbraw/zinc/35/82/76/569358276.db2.gz	PNUVDUSBZOJWHL-JGCGQSQUSA-N	1	0	447.560	3.305	50	0		IGAARO
Cn1cccc1C(=O)OC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1COC(=O)c1cccn1C	ZINC000095450735	569367774	/nfs/dbraw/zinc/36/77/74/569367774.db2.gz	OWUFFXUHHAWYCC-SFTDATJTSA-N	1	0	435.524	3.126	50	0		IGAARO
O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000095459460	569369532	/nfs/dbraw/zinc/36/95/32/569369532.db2.gz	WUBJVUAAJKUNFV-HXUWFJFHSA-N	1	0	444.583	3.281	50	0		IGAARO
O=S(=O)(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1C(F)(F)F	ZINC000095469238	569371370	/nfs/dbraw/zinc/37/13/70/569371370.db2.gz	LWMSKDDXIMTHSN-QGZVFWFLSA-N	1	0	446.466	3.280	50	0		IGAARO
O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)Nc1c(F)cccc1F	ZINC000096096332	569381165	/nfs/dbraw/zinc/38/11/65/569381165.db2.gz	MYDXZAFAODVZNA-UHFFFAOYSA-N	1	0	427.455	3.092	50	0		IGAARO
COc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c(C[NH+]2CCCCCC2)cc1=O	ZINC000096114983	569382987	/nfs/dbraw/zinc/38/29/87/569382987.db2.gz	YOASUDJZTRUKGS-UHFFFAOYSA-N	1	0	436.556	3.073	50	0		IGAARO
Cc1[nH]c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(C)c1S(=O)(=O)N1CCCC1	ZINC000096355840	569397399	/nfs/dbraw/zinc/39/73/99/569397399.db2.gz	DNHBJMOZYIMJDI-UHFFFAOYSA-N	1	0	430.574	3.264	50	0		IGAARO
CS(=O)(=O)c1ccc(CCC(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1	ZINC000225689110	569407233	/nfs/dbraw/zinc/40/72/33/569407233.db2.gz	RRLGYZLNZCIMHD-UHFFFAOYSA-N	1	0	432.611	3.134	50	0		IGAARO
CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c1	ZINC000057350865	569431298	/nfs/dbraw/zinc/43/12/98/569431298.db2.gz	PAMNHQCMRYCLSA-CYBMUJFWSA-N	1	0	434.334	3.497	50	0		IGAARO
COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1OC	ZINC000503922512	569441562	/nfs/dbraw/zinc/44/15/62/569441562.db2.gz	WONADYUPQGLGDE-MSOLQXFVSA-N	1	0	428.533	3.067	50	0		IGAARO
CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1	ZINC000039981940	569482283	/nfs/dbraw/zinc/48/22/83/569482283.db2.gz	RBIHPTXWGQNURV-UHFFFAOYSA-N	1	0	437.993	3.361	50	0		IGAARO
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000040155915	569494005	/nfs/dbraw/zinc/49/40/05/569494005.db2.gz	HKSGGLYCRJJWJX-QFIPXVFZSA-N	1	0	442.629	3.221	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1	ZINC000040355730	569499826	/nfs/dbraw/zinc/49/98/26/569499826.db2.gz	IPHXNLUGWXXSIM-CQSZACIVSA-N	1	0	430.530	3.118	50	0		IGAARO
CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21	ZINC000009095122	569501258	/nfs/dbraw/zinc/50/12/58/569501258.db2.gz	VOOBIWMGBFYGSP-VWLOTQADSA-N	1	0	432.568	3.490	50	0		IGAARO
Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c2ccccc2n1C	ZINC000009096582	569501470	/nfs/dbraw/zinc/50/14/70/569501470.db2.gz	VBUCKBCVJHIMGL-VWLOTQADSA-N	1	0	430.552	3.244	50	0		IGAARO
C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1	ZINC000069373768	569503265	/nfs/dbraw/zinc/50/32/65/569503265.db2.gz	NUQZXAOKJPEVCN-IYBDPMFKSA-N	1	0	425.367	3.176	50	0		IGAARO
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1	ZINC000009222546	569512717	/nfs/dbraw/zinc/51/27/17/569512717.db2.gz	ZLZQFFQKIPGVLL-UHFFFAOYSA-N	1	0	433.549	3.112	50	0		IGAARO
COc1ccc(Cc2nnc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)cc1OC	ZINC000009405611	569529969	/nfs/dbraw/zinc/52/99/69/569529969.db2.gz	DPXNQZWKMJNSGL-UHFFFAOYSA-N	1	0	436.512	3.072	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)[NH+]2CCCCC2)cc1	ZINC000009463355	569537449	/nfs/dbraw/zinc/53/74/49/569537449.db2.gz	BLLXDKMEOIPCME-QFIPXVFZSA-N	1	0	430.570	3.197	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2cccs2)CC1	ZINC000009468242	569538616	/nfs/dbraw/zinc/53/86/16/569538616.db2.gz	RFMNFSSVSDLATM-LJQANCHMSA-N	1	0	435.615	3.201	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CC(CO)(C[NH2+]C(c3ccccc3)c3ccccc3)C2)cc1	ZINC000070697747	569552663	/nfs/dbraw/zinc/55/26/63/569552663.db2.gz	RVZPRCNJCPJISR-UHFFFAOYSA-N	1	0	436.577	3.357	50	0		IGAARO
CCn1c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000009868100	569572265	/nfs/dbraw/zinc/57/22/65/569572265.db2.gz	IIQAPTLAXKIVSR-RTBURBONSA-N	1	0	446.617	3.089	50	0		IGAARO
CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000071850267	569582489	/nfs/dbraw/zinc/58/24/89/569582489.db2.gz	MSZANQKLGBDULI-IBGZPJMESA-N	1	0	435.615	3.059	50	0		IGAARO
COc1cc(COCC2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1	ZINC000077191438	569585973	/nfs/dbraw/zinc/58/59/73/569585973.db2.gz	VUUGCYDRMKYXNM-UHFFFAOYSA-N	1	0	430.520	3.388	50	0		IGAARO
COc1ccc(OC)c(CN2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)c1	ZINC000004547577	132272184	/nfs/dbraw/zinc/27/21/84/132272184.db2.gz	WYNDWJVTCWHMGI-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
COc1ccc(OC)c(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1	ZINC000008683682	132290188	/nfs/dbraw/zinc/29/01/88/132290188.db2.gz	SNQLLEQYGQNOIK-UHFFFAOYSA-N	1	0	441.547	3.404	50	0		IGAARO
CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2ncnc3onc(C)c32)C1)Cc1ccccc1	ZINC000009267778	132312110	/nfs/dbraw/zinc/31/21/10/132312110.db2.gz	UIVDAZZFJNRFRV-FQEVSTJZSA-N	1	0	436.560	3.171	50	0		IGAARO
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000012948333	132340946	/nfs/dbraw/zinc/34/09/46/132340946.db2.gz	DHCXRPWSLUJFSW-UHFFFAOYSA-N	1	0	425.492	3.052	50	0		IGAARO
CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C	ZINC000012451138	520644106	/nfs/dbraw/zinc/64/41/06/520644106.db2.gz	FATSEVCNOABUIG-UHFFFAOYSA-N	1	0	436.560	3.450	50	0		IGAARO
CC[NH+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1	ZINC000021811075	520662380	/nfs/dbraw/zinc/66/23/80/520662380.db2.gz	QXIAAOSRJHJEQB-YOHDVBOVSA-N	1	0	428.577	3.486	50	0		IGAARO
CCN(CC)S(=O)(=O)c1cccc([N+]2=C3CCCCCN3[C@](O)(c3ccccc3)C2)c1	ZINC000012561737	520818874	/nfs/dbraw/zinc/81/88/74/520818874.db2.gz	VJVJZTZXVRAIPZ-XMMPIXPASA-N	1	0	442.605	3.367	50	0		IGAARO
CCOC(=O)N1CCC([NH2+]Cc2cc3ccc(F)cc3n(Cc3cccnc3)c2=O)CC1	ZINC000012457395	520931958	/nfs/dbraw/zinc/93/19/58/520931958.db2.gz	PSOKOAVXBGHBBE-UHFFFAOYSA-N	1	0	438.503	3.294	50	0		IGAARO
CCOC(=O)c1c(NC(=O)C[NH2+]CCN2CCOCC2)sc(C)c1-c1ccc(C)cc1	ZINC000022809205	521409071	/nfs/dbraw/zinc/40/90/71/521409071.db2.gz	UKVMWBHSJIPONP-UHFFFAOYSA-N	1	0	445.585	3.069	50	0		IGAARO
CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2Br)CC1	ZINC000012741213	521566678	/nfs/dbraw/zinc/56/66/78/521566678.db2.gz	VJYZEFJVLJMYIC-UHFFFAOYSA-N	1	0	440.201	3.316	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1	ZINC000021153440	521679511	/nfs/dbraw/zinc/67/95/11/521679511.db2.gz	CPKILJMLYWPISV-UHFFFAOYSA-N	1	0	447.605	3.220	50	0		IGAARO
Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1	ZINC000022276557	521935083	/nfs/dbraw/zinc/93/50/83/521935083.db2.gz	JMHJECBGQLGDQO-UHFFFAOYSA-N	1	0	437.569	3.143	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CC[N@@H+](C[C@@H]1CC=CCC1)CC2	ZINC000012099374	522016443	/nfs/dbraw/zinc/01/64/43/522016443.db2.gz	IFIJDAUNYOLVQH-HXUWFJFHSA-N	1	0	447.579	3.270	50	0		IGAARO
CCc1nccn1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000012306913	522582707	/nfs/dbraw/zinc/58/27/07/522582707.db2.gz	GVSQXPKLERFVKG-OAQYLSRUSA-N	1	0	429.996	3.302	50	0		IGAARO
CCc1nn(CCCC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c2cc3occc3n21	ZINC000020416779	522704507	/nfs/dbraw/zinc/70/45/07/522704507.db2.gz	OXOHDMIZVGZROX-QZTJIDSGSA-N	1	0	441.576	3.354	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000020682760	523020079	/nfs/dbraw/zinc/02/00/79/523020079.db2.gz	NRDQZTCWQCIOSU-GMAHTHKFSA-N	1	0	437.588	3.174	50	0		IGAARO
COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)c(OC)c3)[NH+](C)C)no2)cc1	ZINC000021807528	523094534	/nfs/dbraw/zinc/09/45/34/523094534.db2.gz	BTUZVCCPFOQEJW-IBGZPJMESA-N	1	0	425.485	3.400	50	0		IGAARO
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)c2cc(C)ccc2O1	ZINC000020902435	523229415	/nfs/dbraw/zinc/22/94/15/523229415.db2.gz	GDFVMKIHKXCIGH-FQEVSTJZSA-N	1	0	428.577	3.016	50	0		IGAARO
COc1ccc(-c2noc(CN3CCC(C[NH+]4CCCCC4)CC3)n2)c(OC)c1OC	ZINC000012597672	523287863	/nfs/dbraw/zinc/28/78/63/523287863.db2.gz	RFJFGRRGSKBBPI-UHFFFAOYSA-N	1	0	430.549	3.460	50	0		IGAARO
CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CC[NH2+]CC1	ZINC000035514095	523337567	/nfs/dbraw/zinc/33/75/67/523337567.db2.gz	GYZPILSGBBGYKF-UHFFFAOYSA-N	1	0	447.514	3.155	50	0		IGAARO
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1=O	ZINC000014881546	523802660	/nfs/dbraw/zinc/80/26/60/523802660.db2.gz	ZBSRJTPZSUHZIK-NLFFAJNJSA-N	1	0	443.563	3.374	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1Cl	ZINC000023359737	523914356	/nfs/dbraw/zinc/91/43/56/523914356.db2.gz	JKRYTNOJGWGAGR-KKSFZXQISA-N	1	0	437.918	3.114	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1	ZINC000012729458	523927459	/nfs/dbraw/zinc/92/74/59/523927459.db2.gz	YNNDQCIWDPRYJM-UHFFFAOYSA-N	1	0	444.491	3.080	50	0		IGAARO
COc1ccc(Cn2cc(C(=O)NCC3CC[NH+](CCc4ccccc4)CC3)nn2)cc1	ZINC000014952692	524259511	/nfs/dbraw/zinc/25/95/11/524259511.db2.gz	MVYNHWRDPWTVNZ-UHFFFAOYSA-N	1	0	433.556	3.020	50	0		IGAARO
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000012779642	524526013	/nfs/dbraw/zinc/52/60/13/524526013.db2.gz	NQDJYSKDOIVZEB-UHFFFAOYSA-N	1	0	445.585	3.126	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C2=C(C)OCCO2)CC1	ZINC000012314952	525135612	/nfs/dbraw/zinc/13/56/12/525135612.db2.gz	LWFCDBKSHUCNGD-QHCPKHFHSA-N	1	0	428.573	3.493	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccncc3)no2)[NH+]2CCCCC2)cc1	ZINC000022685949	525183214	/nfs/dbraw/zinc/18/32/14/525183214.db2.gz	DQRYKFJQYLMSLF-OAQYLSRUSA-N	1	0	435.528	3.416	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)N2CCOCC2)cc1	ZINC000022686689	525358475	/nfs/dbraw/zinc/35/84/75/525358475.db2.gz	IWXQIJIUTXVIJO-VWLOTQADSA-N	1	0	437.584	3.484	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cc1C	ZINC000012794848	525517918	/nfs/dbraw/zinc/51/79/18/525517918.db2.gz	IMQJTMCXBYOMRP-HXUWFJFHSA-N	1	0	449.642	3.185	50	0		IGAARO
Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1NS(C)(=O)=O	ZINC000012526452	526151389	/nfs/dbraw/zinc/15/13/89/526151389.db2.gz	JPYSQSVREBHRHX-UHFFFAOYSA-N	1	0	435.977	3.414	50	0		IGAARO
Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012579490	526439841	/nfs/dbraw/zinc/43/98/41/526439841.db2.gz	SMLDRVIYHYTFQJ-QFIPXVFZSA-N	1	0	440.613	3.347	50	0		IGAARO
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000012816829	527001121	/nfs/dbraw/zinc/00/11/21/527001121.db2.gz	YXALRGVIQSMXTB-JWQCQUIFSA-N	1	0	427.548	3.418	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12	ZINC000020611459	527091765	/nfs/dbraw/zinc/09/17/65/527091765.db2.gz	RYAXDTKARVYBRK-LAWREARLSA-N	1	0	443.547	3.373	50	0		IGAARO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1	ZINC000020930292	527168574	/nfs/dbraw/zinc/16/85/74/527168574.db2.gz	OWIFVLPDQWQWBQ-UHFFFAOYSA-N	1	0	430.574	3.428	50	0		IGAARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000012745419	527199891	/nfs/dbraw/zinc/19/98/91/527199891.db2.gz	NMGKDRSRCKJTAP-QGZVFWFLSA-N	1	0	434.466	3.112	50	0		IGAARO
O[C@@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022797823	527657672	/nfs/dbraw/zinc/65/76/72/527657672.db2.gz	QTGLIGIORIFWRD-OAQYLSRUSA-N	1	0	449.389	3.023	50	0		IGAARO
O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1	ZINC000035423382	527665419	/nfs/dbraw/zinc/66/54/19/527665419.db2.gz	GHJGVKBKOSGBNH-UHFFFAOYSA-N	1	0	447.539	3.286	50	0		IGAARO
Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2	ZINC000071890396	555744355	/nfs/dbraw/zinc/74/43/55/555744355.db2.gz	HJZXEVJAALMBSK-UHFFFAOYSA-N	1	0	437.588	3.421	50	0		IGAARO
CCCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C2CCOCC2)C3)c1C	ZINC000071890409	555744447	/nfs/dbraw/zinc/74/44/47/555744447.db2.gz	FZTIYDLZBSBTJT-UHFFFAOYSA-N	1	0	425.577	3.421	50	0		IGAARO
CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000004190371	555974780	/nfs/dbraw/zinc/97/47/80/555974780.db2.gz	XBTVXENGPKBWCQ-HXUWFJFHSA-N	1	0	426.513	3.347	50	0		IGAARO
COc1ccc(CNC(=O)C2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1	ZINC000004599533	556003915	/nfs/dbraw/zinc/00/39/15/556003915.db2.gz	PKHUXXOHZHAAFE-UHFFFAOYSA-N	1	0	428.529	3.249	50	0		IGAARO
COc1cc(OC)cc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)c1	ZINC000008770425	556213384	/nfs/dbraw/zinc/21/33/84/556213384.db2.gz	XNFGJXILMQFTLG-HXUWFJFHSA-N	1	0	427.888	3.303	50	0		IGAARO
C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O	ZINC000008915874	556232589	/nfs/dbraw/zinc/23/25/89/556232589.db2.gz	QLQIOWBXRHLYMD-QHCPKHFHSA-N	1	0	435.499	3.002	50	0		IGAARO
O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2	ZINC000011815341	556358392	/nfs/dbraw/zinc/35/83/92/556358392.db2.gz	APGKAZLVPCVSFI-XMMPIXPASA-N	1	0	438.478	3.330	50	0		IGAARO
COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC(C(C)C)=NO1	ZINC000011844254	556367057	/nfs/dbraw/zinc/36/70/57/556367057.db2.gz	WZOAJJMQJRZVJP-QHCPKHFHSA-N	1	0	431.577	3.183	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C[C@H]2CCOC(C)(C)C2)CC1	ZINC000011874264	556370243	/nfs/dbraw/zinc/37/02/43/556370243.db2.gz	OXRDTWIUUAUESS-SFHVURJKSA-N	1	0	434.577	3.120	50	0		IGAARO
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)[NH+]2CCCCC2)cc1	ZINC000014118977	556371476	/nfs/dbraw/zinc/37/14/76/556371476.db2.gz	TWXSGRLGQNLNFC-QFIPXVFZSA-N	1	0	439.556	3.484	50	0		IGAARO
CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)OCCCO2	ZINC000014123632	556372473	/nfs/dbraw/zinc/37/24/73/556372473.db2.gz	ZGVGDFDPMSWGGZ-OAQYLSRUSA-N	1	0	443.569	3.422	50	0		IGAARO
COc1cc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc2c1OCO2	ZINC000012079047	556398342	/nfs/dbraw/zinc/39/83/42/556398342.db2.gz	VWBNPYFKXJUNSN-QGZVFWFLSA-N	1	0	446.573	3.203	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccc(Cl)cc1	ZINC000032578196	556404735	/nfs/dbraw/zinc/40/47/35/556404735.db2.gz	VETUAKACEQTRHX-FPOVZHCZSA-N	1	0	437.918	3.114	50	0		IGAARO
CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@@H](C)Cc1cccnc1)CC2	ZINC000014539521	556424965	/nfs/dbraw/zinc/42/49/65/556424965.db2.gz	QAZJODZLPBOBBH-IBGZPJMESA-N	1	0	436.556	3.340	50	0		IGAARO
Cc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000012983109	556425485	/nfs/dbraw/zinc/42/54/85/556425485.db2.gz	NKCZVUXZGONUHW-SFHVURJKSA-N	1	0	429.586	3.314	50	0		IGAARO
COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C/C=C/c1ccco1)CC2	ZINC000014543710	556426507	/nfs/dbraw/zinc/42/65/07/556426507.db2.gz	UWVQSCIQDHDOCF-XBXARRHUSA-N	1	0	449.551	3.205	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1C	ZINC000013072475	556454076	/nfs/dbraw/zinc/45/40/76/556454076.db2.gz	JBAPMFHIHJNBRD-QHCPKHFHSA-N	1	0	443.613	3.123	50	0		IGAARO
Cc1nonc1C[NH2+][C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1	ZINC000015002463	556480422	/nfs/dbraw/zinc/48/04/22/556480422.db2.gz	QGUXYCADNSISMA-QGZVFWFLSA-N	1	0	435.553	3.429	50	0		IGAARO
Cc1cccnc1CC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21	ZINC000015061502	556490192	/nfs/dbraw/zinc/49/01/92/556490192.db2.gz	RZEMOHIFFBWVMI-CALCHBBNSA-N	1	0	441.963	3.273	50	0		IGAARO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1	ZINC000013163816	556494641	/nfs/dbraw/zinc/49/46/41/556494641.db2.gz	RKBLQKAWTPTPLY-FQEVSTJZSA-N	1	0	440.613	3.285	50	0		IGAARO
COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000015071492	556496376	/nfs/dbraw/zinc/49/63/76/556496376.db2.gz	QNOWXKDPWPNRDU-QFIPXVFZSA-N	1	0	430.593	3.065	50	0		IGAARO
Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12	ZINC000015072916	556497429	/nfs/dbraw/zinc/49/74/29/556497429.db2.gz	GEDSETPNVXUJFE-OAHLLOKOSA-N	1	0	439.541	3.117	50	0		IGAARO
CCOC(=O)c1nc2ccccc2c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1	ZINC000022937898	556504510	/nfs/dbraw/zinc/50/45/10/556504510.db2.gz	IETGNODENBTPKQ-UHFFFAOYSA-N	1	0	433.556	3.426	50	0		IGAARO
COc1ccc(OC)c(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1	ZINC000015856070	556557648	/nfs/dbraw/zinc/55/76/48/556557648.db2.gz	RHBYCGZBQXWINM-UHFFFAOYSA-N	1	0	437.584	3.260	50	0		IGAARO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12	ZINC000016012610	556574279	/nfs/dbraw/zinc/57/42/79/556574279.db2.gz	LYQARSBUUHENRK-FSNCLGKMSA-N	1	0	447.988	3.065	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016021913	556575018	/nfs/dbraw/zinc/57/50/18/556575018.db2.gz	YSPSKCBBAZTUPG-UOKDPKOQSA-N	1	0	437.927	3.102	50	0		IGAARO
CCOc1cc(C[NH2+]C(C)(C)CO)c(Cl)cc1OCC(=O)NCCc1ccccc1	ZINC000016688169	556626008	/nfs/dbraw/zinc/62/60/08/556626008.db2.gz	IXXUMMRKXKBSDC-UHFFFAOYSA-N	1	0	434.964	3.337	50	0		IGAARO
COCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1	ZINC000005043099	556626849	/nfs/dbraw/zinc/62/68/49/556626849.db2.gz	OFRWINWIBBVOOA-UHFFFAOYSA-N	1	0	431.533	3.032	50	0		IGAARO
COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1cccc(Cl)c1	ZINC000040720040	556645523	/nfs/dbraw/zinc/64/55/23/556645523.db2.gz	ZITSCEWDVUEWFV-UHFFFAOYSA-N	1	0	443.769	3.362	50	0		IGAARO
COc1cccc(C[NH2+]CCCN2CCCC2=O)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040734765	556650376	/nfs/dbraw/zinc/65/03/76/556650376.db2.gz	XWGBVVLJORNIFC-UHFFFAOYSA-N	1	0	425.529	3.123	50	0		IGAARO
COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011842403	556660572	/nfs/dbraw/zinc/66/05/72/556660572.db2.gz	BKAQUTGOHYLCTC-JOCHJYFZSA-N	1	0	428.577	3.123	50	0		IGAARO
COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000045966703	556688760	/nfs/dbraw/zinc/68/87/60/556688760.db2.gz	YVDGEDSUMAKCHD-UHFFFAOYSA-N	1	0	437.584	3.457	50	0		IGAARO
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCOc5ccccc5C4)CC3)CC2)n1	ZINC000055245382	556738915	/nfs/dbraw/zinc/73/89/15/556738915.db2.gz	FTFCVNSYJSYLEZ-UHFFFAOYSA-N	1	0	448.611	3.488	50	0		IGAARO
CC1=C(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)OCCO1	ZINC000055308773	556739785	/nfs/dbraw/zinc/73/97/85/556739785.db2.gz	ZJGVZQOHKVLVAG-LJQANCHMSA-N	1	0	439.478	3.097	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)c(C)c2)CC1	ZINC000058156170	556762483	/nfs/dbraw/zinc/76/24/83/556762483.db2.gz	SIPZYXHAFYXCOE-IBGZPJMESA-N	1	0	436.556	3.137	50	0		IGAARO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)C[C@H](C)O1	ZINC000058168917	556767278	/nfs/dbraw/zinc/76/72/78/556767278.db2.gz	GZSWWXAUPPBCSR-NJYVYQBISA-N	1	0	444.620	3.390	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000002351477	556800038	/nfs/dbraw/zinc/80/00/38/556800038.db2.gz	VSEDSEJRMWHEJN-LMMUWCHVSA-N	1	0	429.520	3.297	50	0		IGAARO
COc1ccc(CCNC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1	ZINC000060036552	556806036	/nfs/dbraw/zinc/80/60/36/556806036.db2.gz	HVDSWFPCTHODPI-HXUWFJFHSA-N	1	0	436.600	3.387	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1	ZINC000033061954	556817477	/nfs/dbraw/zinc/81/74/77/556817477.db2.gz	LINRQJMPISGSEU-HNNXBMFYSA-N	1	0	433.553	3.243	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1	ZINC000064800358	556827158	/nfs/dbraw/zinc/82/71/58/556827158.db2.gz	WNOQSUQVRTYHKK-UHFFFAOYSA-N	1	0	430.940	3.401	50	0		IGAARO
Cc1c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cccc1N(C)S(C)(=O)=O	ZINC000065362063	556834079	/nfs/dbraw/zinc/83/40/79/556834079.db2.gz	MJJBCPUBZQGRFR-UHFFFAOYSA-N	1	0	431.558	3.116	50	0		IGAARO
OCC[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1	ZINC000019642377	556837948	/nfs/dbraw/zinc/83/79/48/556837948.db2.gz	WSHGOYCXHALPAJ-SANMLTNESA-N	1	0	425.592	3.401	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3nccs3)C[C@@H]2CCO)cc1C	ZINC000019740972	556882302	/nfs/dbraw/zinc/88/23/02/556882302.db2.gz	NRFWOFBHVVNLDI-FQEVSTJZSA-N	1	0	426.586	3.320	50	0		IGAARO
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC[NH+]1CCCCCC1	ZINC000033254686	556891096	/nfs/dbraw/zinc/89/10/96/556891096.db2.gz	VRGGDSIIJSTFPI-UHFFFAOYSA-N	1	0	442.025	3.123	50	0		IGAARO
COc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c(OC)c1OC	ZINC000019789390	556914615	/nfs/dbraw/zinc/91/46/15/556914615.db2.gz	ONIGSJFBMMCFCS-UHFFFAOYSA-N	1	0	439.600	3.495	50	0		IGAARO
O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019831967	556927004	/nfs/dbraw/zinc/92/70/04/556927004.db2.gz	VLRISXOPPQTQRW-VWLOTQADSA-N	1	0	430.548	3.475	50	0		IGAARO
COc1cc(OC)c(OC)cc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000019831934	556927034	/nfs/dbraw/zinc/92/70/34/556927034.db2.gz	WOULJCSHTVRAEL-UHFFFAOYSA-N	1	0	439.600	3.495	50	0		IGAARO
CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1	ZINC000019938594	556953038	/nfs/dbraw/zinc/95/30/38/556953038.db2.gz	HUMOBQPLLCZOHC-HSZRJFAPSA-N	1	0	432.992	3.477	50	0		IGAARO
CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ccc(C)nn4)cc3)CC2)nc(C)[nH+]1	ZINC000072437064	556972762	/nfs/dbraw/zinc/97/27/62/556972762.db2.gz	UYSZVKZXNMLTIL-UHFFFAOYSA-N	1	0	433.516	3.070	50	0		IGAARO
COc1cccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)c1	ZINC000023086393	556997339	/nfs/dbraw/zinc/99/73/39/556997339.db2.gz	BJSWSWGWXJLXBM-VWLOTQADSA-N	1	0	433.552	3.256	50	0		IGAARO
CC[NH+]1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1	ZINC000023086529	556997355	/nfs/dbraw/zinc/99/73/55/556997355.db2.gz	KFCQDWVSKARZCW-XMMPIXPASA-N	1	0	436.531	3.172	50	0		IGAARO
Cc1nc[nH]c1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1	ZINC000020324767	557007812	/nfs/dbraw/zinc/00/78/12/557007812.db2.gz	VZWBCQFNAKBFIZ-UHFFFAOYSA-N	1	0	444.539	3.112	50	0		IGAARO
C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O	ZINC000032944850	557027789	/nfs/dbraw/zinc/02/77/89/557027789.db2.gz	CEKJLOUPJABVCR-HNNXBMFYSA-N	1	0	432.446	3.225	50	0		IGAARO
CC[NH+](CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)o1	ZINC000048276335	557056399	/nfs/dbraw/zinc/05/63/99/557056399.db2.gz	KYEGKEAMVLWWMD-UHFFFAOYSA-N	1	0	447.601	3.392	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)CCc2ccc(OC)cc2)CC1	ZINC000033278755	557060739	/nfs/dbraw/zinc/06/07/39/557060739.db2.gz	GRKFVWJJNOHRKA-UHFFFAOYSA-N	1	0	425.529	3.195	50	0		IGAARO
Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCCN2CC[NH+](C)CC2)cc1	ZINC000033298607	557074584	/nfs/dbraw/zinc/07/45/84/557074584.db2.gz	JGVQSCHDDQNIIN-UHFFFAOYSA-N	1	0	437.613	3.001	50	0		IGAARO
COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3c(C)nc4cc(C)nn4c3C)CC2)cc1	ZINC000023245405	557077646	/nfs/dbraw/zinc/07/76/46/557077646.db2.gz	HXNWHNKLEKOLBO-UHFFFAOYSA-N	1	0	435.572	3.330	50	0		IGAARO
O=C(CCc1nc2ccccc2[nH]c1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000024602243	557152924	/nfs/dbraw/zinc/15/29/24/557152924.db2.gz	OSUPRVYKQZRTHS-UHFFFAOYSA-N	1	0	426.520	3.353	50	0		IGAARO
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)c1	ZINC000024838056	557172695	/nfs/dbraw/zinc/17/26/95/557172695.db2.gz	UMNDOQDSKOUASL-QFIPXVFZSA-N	1	0	447.601	3.115	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000069930205	557189949	/nfs/dbraw/zinc/18/99/49/557189949.db2.gz	AQKQYPQAWPZKEQ-QHCPKHFHSA-N	1	0	448.592	3.464	50	0		IGAARO
COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1	ZINC000025081703	557194912	/nfs/dbraw/zinc/19/49/12/557194912.db2.gz	FERYDBVHQXXHOO-UHFFFAOYSA-N	1	0	441.597	3.343	50	0		IGAARO
Cc1nn(Cn2ccc(C(=O)N[C@H](CC[NH+](C)C)c3ccc(F)cc3)n2)c(C)c1Cl	ZINC000072258881	557232992	/nfs/dbraw/zinc/23/29/92/557232992.db2.gz	SGHRDJISQZDZBR-GOSISDBHSA-N	1	0	432.931	3.418	50	0		IGAARO
O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000102405699	557301481	/nfs/dbraw/zinc/30/14/81/557301481.db2.gz	SKYKDOQZQBCTIP-GOSISDBHSA-N	1	0	440.956	3.399	50	0		IGAARO
CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1	ZINC000023339665	557350222	/nfs/dbraw/zinc/35/02/22/557350222.db2.gz	XIDIRVOGBPCQTA-UXHICEINSA-N	1	0	431.964	3.144	50	0		IGAARO
CC[NH+](CC)CCNC(=O)/C(=C\c1ccc(OC)c(OC)c1)NC(=O)c1ccc(C)cc1	ZINC000033442630	557398694	/nfs/dbraw/zinc/39/86/94/557398694.db2.gz	UZWFEVMWUBCIDV-LTGZKZEYSA-N	1	0	439.556	3.241	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000104871322	557462860	/nfs/dbraw/zinc/46/28/60/557462860.db2.gz	YSPSKCBBAZTUPG-HFXGWRGPSA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)nc21	ZINC000012140967	557528235	/nfs/dbraw/zinc/52/82/35/557528235.db2.gz	BAJVJTQBWZADFU-UHFFFAOYSA-N	1	0	436.537	3.186	50	0		IGAARO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000106535737	557529823	/nfs/dbraw/zinc/52/98/23/557529823.db2.gz	INMYNIWXRXBYHO-YDLHNXBPSA-N	1	0	435.911	3.388	50	0		IGAARO
COc1cc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc(OC)c1	ZINC000108150166	557541423	/nfs/dbraw/zinc/54/14/23/557541423.db2.gz	ZTCXLEZISGSPGZ-GGAORHGYSA-N	1	0	432.948	3.478	50	0		IGAARO
Cc1ccc(C[NH+]2CCC(CNC(=O)CCn3c4ccccc4nc(C)c3=O)CC2)cc1	ZINC000045967480	557557231	/nfs/dbraw/zinc/55/72/31/557557231.db2.gz	NFEKIWZJBIPWMQ-UHFFFAOYSA-N	1	0	432.568	3.432	50	0		IGAARO
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1	ZINC000225413741	557720029	/nfs/dbraw/zinc/72/00/29/557720029.db2.gz	OPKMJZVMMJJLOR-VQIMIIECSA-N	1	0	443.585	3.071	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1	ZINC000009583794	562973553	/nfs/dbraw/zinc/97/35/53/562973553.db2.gz	RCJCTDFJMKIKQX-NRFANRHFSA-N	1	0	429.948	3.422	50	0		IGAARO
C[NH+](C)CCCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3	ZINC000010068169	562978365	/nfs/dbraw/zinc/97/83/65/562978365.db2.gz	DXKMMFSOOCXGGN-LJQANCHMSA-N	1	0	441.509	3.150	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1	ZINC000023374997	568614040	/nfs/dbraw/zinc/61/40/40/568614040.db2.gz	RXEVPPXMXYWWJH-OAQYLSRUSA-N	1	0	425.577	3.432	50	0		IGAARO
C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)C[C@@H](C)O1	ZINC000106103893	568624772	/nfs/dbraw/zinc/62/47/72/568624772.db2.gz	NMXWROZLTYVJFJ-ISQLDUATSA-N	1	0	440.588	3.333	50	0		IGAARO
COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000015065534	568635206	/nfs/dbraw/zinc/63/52/06/568635206.db2.gz	VGFFYYQKWWLJAM-JOCHJYFZSA-N	1	0	438.572	3.230	50	0		IGAARO
Cn1c2ccccc2c2cc(C(=O)N3CCC(=O)N(CC[NH+]4CCCCC4)CC3)ccc21	ZINC000299785472	568757538	/nfs/dbraw/zinc/75/75/38/568757538.db2.gz	RRFKDYWHLNYXNG-UHFFFAOYSA-N	1	0	432.568	3.492	50	0		IGAARO
CCc1c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)cc(C)n1CC[NH+]1CCCCC1	ZINC000299790598	568757644	/nfs/dbraw/zinc/75/76/44/568757644.db2.gz	BMCPPIBNMBIUAW-UHFFFAOYSA-N	1	0	441.572	3.152	50	0		IGAARO
Cc1ccc2c(c1)cc(C[NH2+][C@H]1CCS(=O)(=O)C1)c(=O)n2Cc1ccccc1Cl	ZINC000299788589	568757664	/nfs/dbraw/zinc/75/76/64/568757664.db2.gz	VGJTWHFNDXNEBU-IBGZPJMESA-N	1	0	430.957	3.288	50	0		IGAARO
Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2	ZINC000299796706	568757940	/nfs/dbraw/zinc/75/79/40/568757940.db2.gz	NOCUFQFQQJBIPQ-GOSISDBHSA-N	1	0	430.556	3.150	50	0		IGAARO
COc1ccc(-c2cc3n(n2)[C@@H](NC2CC[NH+](Cc4ccccc4)CC2)CNC3=O)cc1	ZINC000263615798	568776191	/nfs/dbraw/zinc/77/61/91/568776191.db2.gz	FGQRCEYGLNMCOX-XMMPIXPASA-N	1	0	431.540	3.055	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCCC[NH+](C)C)nn1-c1ccc(C)cc1)C2	ZINC000032100967	568780641	/nfs/dbraw/zinc/78/06/41/568780641.db2.gz	FWSBGBUKXXEHSK-UHFFFAOYSA-N	1	0	434.540	3.451	50	0		IGAARO
O=C(CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCCC[NH+]1CCCCC1	ZINC000015677938	568804931	/nfs/dbraw/zinc/80/49/31/568804931.db2.gz	UTCNBWWJLHYCLN-HSZRJFAPSA-N	1	0	436.556	3.321	50	0		IGAARO
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016000924	568862222	/nfs/dbraw/zinc/86/22/22/568862222.db2.gz	INMYNIWXRXBYHO-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000064198070	568893411	/nfs/dbraw/zinc/89/34/11/568893411.db2.gz	QZVFUMCUHFVDPS-IEBOFQNGSA-N	1	0	429.904	3.450	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccc(F)cc23)c1	ZINC000064164452	568893509	/nfs/dbraw/zinc/89/35/09/568893509.db2.gz	WOUAGUDTSZIBLI-GJYADEQXSA-N	1	0	425.460	3.113	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@@H]3CCCO3)cc2F)CC1	ZINC000240555846	568911864	/nfs/dbraw/zinc/91/18/64/568911864.db2.gz	GXTUSCPNXXYETN-BGYRXZFFSA-N	1	0	434.556	3.160	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000248329874	568919156	/nfs/dbraw/zinc/91/91/56/568919156.db2.gz	DTKIXLBQVYIXOU-RAZUEPIFSA-N	1	0	435.911	3.388	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1	ZINC000064567902	568933683	/nfs/dbraw/zinc/93/36/83/568933683.db2.gz	NQOPMQHJQIZLEQ-UHFFFAOYSA-N	1	0	429.565	3.292	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2	ZINC000064611304	568940027	/nfs/dbraw/zinc/94/00/27/568940027.db2.gz	JWDSMTWVEXFHGQ-GOSISDBHSA-N	1	0	427.570	3.042	50	0		IGAARO
CCCC(=O)OC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc(Br)cc2)no1)C(C)C	ZINC000036155072	568964669	/nfs/dbraw/zinc/96/46/69/568964669.db2.gz	ZSVZIEADNQEUKD-WBVHZDCISA-N	1	0	440.338	3.490	50	0		IGAARO
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CO3	ZINC000006764635	568978852	/nfs/dbraw/zinc/97/88/52/568978852.db2.gz	YKPYBYCIOGWBAD-UHFFFAOYSA-N	1	0	428.529	3.278	50	0		IGAARO
C[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309656	568996360	/nfs/dbraw/zinc/99/63/60/568996360.db2.gz	QAZJRAZPCXOPMT-KKSFZXQISA-N	1	0	432.561	3.485	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1	ZINC000065023266	569089207	/nfs/dbraw/zinc/08/92/07/569089207.db2.gz	DFXHDRGNKOYGHH-FQEVSTJZSA-N	1	0	425.552	3.491	50	0		IGAARO
CC(C)CN(CC(C)C)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CC[NH2+]CC1	ZINC000065025410	569090593	/nfs/dbraw/zinc/09/05/93/569090593.db2.gz	CVPOGSINODMRPT-UHFFFAOYSA-N	1	0	437.588	3.498	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1	ZINC000006875632	569095147	/nfs/dbraw/zinc/09/51/47/569095147.db2.gz	HHBVCLWENYPSNR-LEWJYISDSA-N	1	0	429.586	3.133	50	0		IGAARO
Cc1nc2cc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cnc2nc1C	ZINC000065227441	569118124	/nfs/dbraw/zinc/11/81/24/569118124.db2.gz	KTYIZYHODLHATQ-UHFFFAOYSA-N	1	0	436.604	3.335	50	0		IGAARO
O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065255988	569123024	/nfs/dbraw/zinc/12/30/24/569123024.db2.gz	QCUYSZMBVJKPAG-XMMPIXPASA-N	1	0	445.542	3.334	50	0		IGAARO
O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1	ZINC000065256149	569123163	/nfs/dbraw/zinc/12/31/63/569123163.db2.gz	VPPXPGWPOVKLGO-XMMPIXPASA-N	1	0	427.552	3.195	50	0		IGAARO
CCn1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)n1	ZINC000065265707	569127125	/nfs/dbraw/zinc/12/71/25/569127125.db2.gz	HFQJGYXJIJCKKD-XMMPIXPASA-N	1	0	429.528	3.218	50	0		IGAARO
CC[NH+]1CCC(CCNC(=O)[C@H]2CN(C(=O)c3ccncc3)CC23CCCCC3)CC1	ZINC000065266218	569127426	/nfs/dbraw/zinc/12/74/26/569127426.db2.gz	LOJPIMKJUNOSLO-JOCHJYFZSA-N	1	0	426.605	3.342	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1)C(C)=O	ZINC000037276319	569145289	/nfs/dbraw/zinc/14/52/89/569145289.db2.gz	UUXWJLWDEHYVND-RCZVLFRGSA-N	1	0	426.557	3.414	50	0		IGAARO
COc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4cccc(C)c4)c(N)c32)c1	ZINC000037361250	569181555	/nfs/dbraw/zinc/18/15/55/569181555.db2.gz	DDHOQQCJZFCSNF-UHFFFAOYSA-N	1	0	429.528	3.134	50	0		IGAARO
O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000252452355	569184178	/nfs/dbraw/zinc/18/41/78/569184178.db2.gz	DOAKQEGKLVLLEL-QZTJIDSGSA-N	1	0	440.510	3.030	50	0		IGAARO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000252537986	569190221	/nfs/dbraw/zinc/19/02/21/569190221.db2.gz	MMQQPBNERVFTQM-HOJAQTOUSA-N	1	0	446.979	3.126	50	0		IGAARO
Cc1s/c(=N\C(=O)c2ccc(C)cc2)n(Cc2ccc(C(=O)NCC[NH+](C)C)o2)c1C	ZINC000037428256	569196025	/nfs/dbraw/zinc/19/60/25/569196025.db2.gz	GWVIRAKMQPMMMK-BZZOAKBMSA-N	1	0	440.569	3.149	50	0		IGAARO
Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819820	569211611	/nfs/dbraw/zinc/21/16/11/569211611.db2.gz	MYJLCJUDXUNKDT-JOCHJYFZSA-N	1	0	438.572	3.267	50	0		IGAARO
O=C(CCc1ccccc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000581820130	569211706	/nfs/dbraw/zinc/21/17/06/569211706.db2.gz	TZNNQRDWMIFPET-XMMPIXPASA-N	1	0	448.611	3.377	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000253394046	569264421	/nfs/dbraw/zinc/26/44/21/569264421.db2.gz	XRIBIFLLYHAMCH-ZHALLVOQSA-N	1	0	442.025	3.025	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002421367	569302074	/nfs/dbraw/zinc/30/20/74/569302074.db2.gz	ATPCUYQGOXKMIT-PBWVOLNLSA-N	1	0	442.302	3.425	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000013112868	569310516	/nfs/dbraw/zinc/31/05/16/569310516.db2.gz	MCOUBMKODGRIEE-QGZVFWFLSA-N	1	0	439.537	3.202	50	0		IGAARO
O=C(CSc1nnnn1C1CC1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1	ZINC000078879458	569320041	/nfs/dbraw/zinc/32/00/41/569320041.db2.gz	KKGNENWLCHGWQM-UHFFFAOYSA-N	1	0	426.590	3.147	50	0		IGAARO
Cc1cccc(-c2ncc(CN3CCN(C4CC[NH+](C(C)C)CC4)[C@@H](CCO)C3)cn2)c1	ZINC000019839324	569330226	/nfs/dbraw/zinc/33/02/26/569330226.db2.gz	ZNWGQQZGFNNSKT-VWLOTQADSA-N	1	0	437.632	3.193	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc12	ZINC000020136096	569335669	/nfs/dbraw/zinc/33/56/69/569335669.db2.gz	JRSAJCJFMHNKIX-UHFFFAOYSA-N	1	0	437.588	3.416	50	0		IGAARO
COCc1cccc(OCC2(C[NH+]3CCN(Cc4noc(C5CC5)n4)CC3)CCC2)c1	ZINC000095448111	569367523	/nfs/dbraw/zinc/36/75/23/569367523.db2.gz	GMIBJYKEXSOXBI-UHFFFAOYSA-N	1	0	426.561	3.460	50	0		IGAARO
CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O	ZINC000095995136	569378547	/nfs/dbraw/zinc/37/85/47/569378547.db2.gz	YDYOORRNCVKOJW-CEMLEFRQSA-N	1	0	435.568	3.465	50	0		IGAARO
COc1cc(C=O)ccc1OCCC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000096012309	569379994	/nfs/dbraw/zinc/37/99/94/569379994.db2.gz	KLMBPDMGIXNHPN-KDURUIRLSA-N	1	0	440.540	3.202	50	0		IGAARO
COc1cc(C=O)ccc1OCCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000096012311	569380012	/nfs/dbraw/zinc/38/00/12/569380012.db2.gz	KLMBPDMGIXNHPN-RTBURBONSA-N	1	0	440.540	3.202	50	0		IGAARO
COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NC[C@@H]3CCCO3)CC2)ccc1O	ZINC000096281659	569390037	/nfs/dbraw/zinc/39/00/37/569390037.db2.gz	JOOGEVFJGAWRRG-FQEVSTJZSA-N	1	0	439.556	3.393	50	0		IGAARO
COc1ccc(OC)c(-c2cc(C(=O)NCC3CC[NH+]([C@@H]4CCSC4)CC3)n(C)n2)c1	ZINC000225572041	569404830	/nfs/dbraw/zinc/40/48/30/569404830.db2.gz	APSBVPJWIDJVAJ-QGZVFWFLSA-N	1	0	444.601	3.052	50	0		IGAARO
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2n1	ZINC000002792084	569421974	/nfs/dbraw/zinc/42/19/74/569421974.db2.gz	SITOLYYNTFRUSS-CQSZACIVSA-N	1	0	427.455	3.263	50	0		IGAARO
O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1	ZINC000056896329	569427451	/nfs/dbraw/zinc/42/74/51/569427451.db2.gz	GNHWAPIJHYBKFK-HSZRJFAPSA-N	1	0	440.544	3.063	50	0		IGAARO
COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl	ZINC000057414916	569433902	/nfs/dbraw/zinc/43/39/02/569433902.db2.gz	WYJDLZRRNPRTSZ-OAQYLSRUSA-N	1	0	446.979	3.071	50	0		IGAARO
NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)C1	ZINC000008172027	569462445	/nfs/dbraw/zinc/46/24/45/569462445.db2.gz	MNFKKKLPPOGPPI-DLBGWLJESA-N	1	0	427.564	3.320	50	0		IGAARO
CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1	ZINC000067286720	569467005	/nfs/dbraw/zinc/46/70/05/569467005.db2.gz	RGZSLKLTIPXAKY-OAQYLSRUSA-N	1	0	431.533	3.141	50	0		IGAARO
O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000039976199	569482207	/nfs/dbraw/zinc/48/22/07/569482207.db2.gz	LQDNFAKXHFSBKS-IBGZPJMESA-N	1	0	430.346	3.132	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c(OC)c1	ZINC000008893196	569483550	/nfs/dbraw/zinc/48/35/50/569483550.db2.gz	XZACBBYXEYTATA-IBGZPJMESA-N	1	0	431.558	3.437	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C	ZINC000008965357	569491447	/nfs/dbraw/zinc/49/14/47/569491447.db2.gz	BDEPHDSYFLRRLD-OAQYLSRUSA-N	1	0	435.572	3.185	50	0		IGAARO
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000040153454	569493649	/nfs/dbraw/zinc/49/36/49/569493649.db2.gz	LGADZMFQYKBDMT-CYBMUJFWSA-N	1	0	430.412	3.400	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1	ZINC000245257728	569501635	/nfs/dbraw/zinc/50/16/35/569501635.db2.gz	DSEXBPYKELHYPK-QUCCMNQESA-N	1	0	441.576	3.342	50	0		IGAARO
C[NH+](C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccncc1	ZINC000009216095	569512075	/nfs/dbraw/zinc/51/20/75/569512075.db2.gz	JOFLJCZVMCCRSA-GOSISDBHSA-N	1	0	442.313	3.447	50	0		IGAARO
O=C(CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(N2CCCC2=O)cc1	ZINC000009376694	569527368	/nfs/dbraw/zinc/52/73/68/569527368.db2.gz	HUWRRAXOXGNSCD-UHFFFAOYSA-N	1	0	447.539	3.122	50	0		IGAARO
O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000009688602	569560853	/nfs/dbraw/zinc/56/08/53/569560853.db2.gz	QCKXGSUKQNCMFW-UHFFFAOYSA-N	1	0	431.895	3.415	50	0		IGAARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1	ZINC000032760183	569583928	/nfs/dbraw/zinc/58/39/28/569583928.db2.gz	WWALXHZEGSMXIS-UHFFFAOYSA-N	1	0	443.573	3.310	50	0		IGAARO
O=C1[C@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(Br)c2)CC1	ZINC000002183611	132248468	/nfs/dbraw/zinc/24/84/68/132248468.db2.gz	YZZSRVHNVXGPPW-LJQANCHMSA-N	1	0	449.393	3.168	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21	ZINC000009114878	132303375	/nfs/dbraw/zinc/30/33/75/132303375.db2.gz	QQFZVKLOOLULLM-NFBKMPQASA-N	1	0	436.556	3.319	50	0		IGAARO
Cc1ccc2c(c1)-c1onc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c1CO2	ZINC000009439963	132317828	/nfs/dbraw/zinc/31/78/28/132317828.db2.gz	DPVXKAORHGEFBZ-UHFFFAOYSA-N	1	0	432.524	3.485	50	0		IGAARO
Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)[nH+]1	ZINC000017012263	132357163	/nfs/dbraw/zinc/35/71/63/132357163.db2.gz	AFDMKLUIXRZXTJ-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccc(OCCO)c2)CC1	ZINC000012711607	520465739	/nfs/dbraw/zinc/46/57/39/520465739.db2.gz	UZNNEUQQZWKVDB-UHFFFAOYSA-N	1	0	427.541	3.454	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1	ZINC000012155816	520684959	/nfs/dbraw/zinc/68/49/59/520684959.db2.gz	IUVHPKKFSHHVJN-UHFFFAOYSA-N	1	0	448.527	3.007	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000022467179	520750795	/nfs/dbraw/zinc/75/07/95/520750795.db2.gz	GQCGXDWLAUUUQV-JOCHJYFZSA-N	1	0	447.576	3.137	50	0		IGAARO
CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1	ZINC000021709703	520759761	/nfs/dbraw/zinc/75/97/61/520759761.db2.gz	NAPLKQORBHZKNY-UHFFFAOYSA-N	1	0	434.540	3.094	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1	ZINC000012149224	520844207	/nfs/dbraw/zinc/84/42/07/520844207.db2.gz	GEXOSBIBNYHKHM-HXUWFJFHSA-N	1	0	444.620	3.123	50	0		IGAARO
CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c1C	ZINC000035446523	521383489	/nfs/dbraw/zinc/38/34/89/521383489.db2.gz	DNVGIXRXXGTVKB-UHFFFAOYSA-N	1	0	446.636	3.197	50	0		IGAARO
CCCn1c2ccccc2c2cnn(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)c21	ZINC000020557138	521637844	/nfs/dbraw/zinc/63/78/44/521637844.db2.gz	LMFMJMOUKFIFLS-UHFFFAOYSA-N	1	0	435.572	3.238	50	0		IGAARO
COc1cc(CN(C)Cc2ccncn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012747335	522355178	/nfs/dbraw/zinc/35/51/78/522355178.db2.gz	AFFAHJNNPPTYBT-QFIPXVFZSA-N	1	0	428.577	3.123	50	0		IGAARO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCCc1ccccc1	ZINC000022107653	522456937	/nfs/dbraw/zinc/45/69/37/522456937.db2.gz	ASUOUBVPSOPDPB-UHFFFAOYSA-N	1	0	440.565	3.296	50	0		IGAARO
COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C	ZINC000012202276	522771123	/nfs/dbraw/zinc/77/11/23/522771123.db2.gz	KNAQVVTZRTZOGK-RUZDIDTESA-N	1	0	447.583	3.463	50	0		IGAARO
CN(C[C@@H]1COCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000012596484	523081437	/nfs/dbraw/zinc/08/14/37/523081437.db2.gz	ONDBJYUESYFSGA-RUZDIDTESA-N	1	0	438.568	3.260	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)cc1	ZINC000012282905	523703026	/nfs/dbraw/zinc/70/30/26/523703026.db2.gz	UYUBASWUBAPJQD-UNMCSNQZSA-N	1	0	449.599	3.110	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1	ZINC000021916040	523900203	/nfs/dbraw/zinc/90/02/03/523900203.db2.gz	QPBNEGPYYITQAO-UHFFFAOYSA-N	1	0	449.599	3.429	50	0		IGAARO
COc1ccc(CCNC(=O)CCCC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC	ZINC000012660702	523955913	/nfs/dbraw/zinc/95/59/13/523955913.db2.gz	REAPFFTXKUBBSX-LEWJYISDSA-N	1	0	446.588	3.341	50	0		IGAARO
COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012452876	524006723	/nfs/dbraw/zinc/00/67/23/524006723.db2.gz	JLWLETNFKQEAKE-JOCHJYFZSA-N	1	0	439.556	3.495	50	0		IGAARO
Cc1cc(C)cc(C(=O)N2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1	ZINC000012373589	524363316	/nfs/dbraw/zinc/36/33/16/524363316.db2.gz	AKGFHBCBCKGASO-UHFFFAOYSA-N	1	0	434.584	3.331	50	0		IGAARO
Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCNC(=O)c2nonc2N)c1	ZINC000040744492	524447718	/nfs/dbraw/zinc/44/77/18/524447718.db2.gz	DQYYSQRYJMMJPY-UHFFFAOYSA-N	1	0	431.496	3.212	50	0		IGAARO
COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C[NH+]2CCCCC2)cc1=O	ZINC000016974392	524888640	/nfs/dbraw/zinc/88/86/40/524888640.db2.gz	IYWQUYLMABYCGO-UHFFFAOYSA-N	1	0	439.434	3.380	50	0		IGAARO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035843332	524952313	/nfs/dbraw/zinc/95/23/13/524952313.db2.gz	INMYNIWXRXBYHO-FVJVTNMWSA-N	1	0	435.911	3.388	50	0		IGAARO
COc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1	ZINC000035598040	525079585	/nfs/dbraw/zinc/07/95/85/525079585.db2.gz	QAIUKMGMSCRGKN-UHFFFAOYSA-N	1	0	438.553	3.213	50	0		IGAARO
Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCNC(=O)c1nonc1N	ZINC000040744493	525175810	/nfs/dbraw/zinc/17/58/10/525175810.db2.gz	MZYAJLLGTONBAM-UHFFFAOYSA-N	1	0	431.496	3.212	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1	ZINC000022794441	525185483	/nfs/dbraw/zinc/18/54/83/525185483.db2.gz	HJZOKZFUBVBMFU-HXUWFJFHSA-N	1	0	432.362	3.176	50	0		IGAARO
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C4CC4)CC3)ccc2C)cc1	ZINC000012584951	525296362	/nfs/dbraw/zinc/29/63/62/525296362.db2.gz	QUAQNWUXBFQPDW-UHFFFAOYSA-N	1	0	427.570	3.461	50	0		IGAARO
Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccn1	ZINC000022697966	525326151	/nfs/dbraw/zinc/32/61/51/525326151.db2.gz	KPGZBXHSCFBFQQ-HSZRJFAPSA-N	1	0	438.959	3.296	50	0		IGAARO
COc1ccc([C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)N2CCOCC2)cc1	ZINC000022756496	525361961	/nfs/dbraw/zinc/36/19/61/525361961.db2.gz	QDHVRJOFGZJHSY-UCGXPXSYSA-N	1	0	440.584	3.113	50	0		IGAARO
Cc1ccccc1[C@@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2ccccc2)C1=O	ZINC000020782602	525399280	/nfs/dbraw/zinc/39/92/80/525399280.db2.gz	YJWWLBDNYDICNV-HHHXNRCGSA-N	1	0	447.579	3.135	50	0		IGAARO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000012649818	526195324	/nfs/dbraw/zinc/19/53/24/526195324.db2.gz	NYZMSUPACKYIHW-PZJWPPBQSA-N	1	0	444.626	3.250	50	0		IGAARO
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000020938181	526643743	/nfs/dbraw/zinc/64/37/43/526643743.db2.gz	XDJFDGBUJHEVHJ-UHFFFAOYSA-N	1	0	432.952	3.474	50	0		IGAARO
O=C1CCCc2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)ccc2N1	ZINC000021888155	526984827	/nfs/dbraw/zinc/98/48/27/526984827.db2.gz	YJTUFNBBBAVBAG-UHFFFAOYSA-N	1	0	445.560	3.291	50	0		IGAARO
NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1	ZINC000012754049	527003395	/nfs/dbraw/zinc/00/33/95/527003395.db2.gz	KTDSTSAGQOOCJM-QFIPXVFZSA-N	1	0	435.568	3.110	50	0		IGAARO
NC(=O)c1ccc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000021822127	527058814	/nfs/dbraw/zinc/05/88/14/527058814.db2.gz	LFSPABHFBUQFEM-UHFFFAOYSA-N	1	0	428.536	3.131	50	0		IGAARO
Cc1nc2ncccn2c1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012201249	527202763	/nfs/dbraw/zinc/20/27/63/527202763.db2.gz	PWMOZWZTZHSKAY-NRFANRHFSA-N	1	0	425.577	3.314	50	0		IGAARO
Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000012429772	527476107	/nfs/dbraw/zinc/47/61/07/527476107.db2.gz	OBFQXERKYSGGGD-OAQYLSRUSA-N	1	0	440.613	3.475	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1	ZINC000020565092	527661721	/nfs/dbraw/zinc/66/17/21/527661721.db2.gz	FHAZIDCYUHPQED-UHFFFAOYSA-N	1	0	425.558	3.442	50	0		IGAARO
CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(C(C)(C)C)ccc3OC)CC2)n1	ZINC000009620935	535520637	/nfs/dbraw/zinc/52/06/37/535520637.db2.gz	YLVPDXXQDWDURR-UHFFFAOYSA-N	1	0	447.605	3.034	50	0		IGAARO
COc1cccc(N2CCN(Cc3cccc(C(=O)NCC[NH+]4CCCCC4)c3)CC2)c1	ZINC000034684826	555820586	/nfs/dbraw/zinc/82/05/86/555820586.db2.gz	RRMLTVLPRPQPGU-UHFFFAOYSA-N	1	0	436.600	3.233	50	0		IGAARO
O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000004099262	555962260	/nfs/dbraw/zinc/96/22/60/555962260.db2.gz	UFQCGIWAPNSGPX-OAHLLOKOSA-N	1	0	441.457	3.434	50	0		IGAARO
CCCCOCCC[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000013720051	556289410	/nfs/dbraw/zinc/28/94/10/556289410.db2.gz	KAEOHVYNGVBBID-DEOSSOPVSA-N	1	0	441.572	3.286	50	0		IGAARO
CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(OCCO)cc2)CC1	ZINC000011765709	556349728	/nfs/dbraw/zinc/34/97/28/556349728.db2.gz	LDEJFWPYOUMNCT-UHFFFAOYSA-N	1	0	427.541	3.454	50	0		IGAARO
CC1=C(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)OCCO1	ZINC000011813488	556356760	/nfs/dbraw/zinc/35/67/60/556356760.db2.gz	XVHRXPZUBROSAS-XMMPIXPASA-N	1	0	440.584	3.152	50	0		IGAARO
O=C(NCCc1nnc2n1CC[N@@H+](CC(c1ccccc1)c1ccccc1)CC2)C1CCC1	ZINC000012041369	556391071	/nfs/dbraw/zinc/39/10/71/556391071.db2.gz	FKBCOBATNOFANG-UHFFFAOYSA-N	1	0	443.595	3.427	50	0		IGAARO
Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014533244	556422003	/nfs/dbraw/zinc/42/20/03/556422003.db2.gz	QMGCEUQQGSDEAE-JOCHJYFZSA-N	1	0	435.616	3.158	50	0		IGAARO
COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@H]2CCSC2)CC3)cc1	ZINC000014741887	556439085	/nfs/dbraw/zinc/43/90/85/556439085.db2.gz	CALDEDXQMSTDIM-FQEVSTJZSA-N	1	0	445.629	3.498	50	0		IGAARO
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCC1)C2	ZINC000014751467	556443709	/nfs/dbraw/zinc/44/37/09/556443709.db2.gz	XHCZSESUUWJIMF-NRFANRHFSA-N	1	0	436.600	3.334	50	0		IGAARO
CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCC3)cc2)CC1	ZINC000022936439	556445393	/nfs/dbraw/zinc/44/53/93/556445393.db2.gz	OHPJYGSHLPPKGK-UHFFFAOYSA-N	1	0	445.567	3.123	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)[NH+]2CCCCC2)cc1	ZINC000013112703	556465527	/nfs/dbraw/zinc/46/55/27/556465527.db2.gz	ILUCSWJVKLAYSK-JOCHJYFZSA-N	1	0	435.524	3.306	50	0		IGAARO
CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2c(OC)cccc2OC)cc1OC	ZINC000014976256	556468758	/nfs/dbraw/zinc/46/87/58/556468758.db2.gz	VCHQTZNEARYUDF-LJQANCHMSA-N	1	0	432.561	3.084	50	0		IGAARO
O=C(c1cn(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nn1)N1CCOCC1	ZINC000014980987	556470920	/nfs/dbraw/zinc/47/09/20/556470920.db2.gz	MQEFVIGKOWEIMG-UHFFFAOYSA-N	1	0	447.539	3.380	50	0		IGAARO
O=CN1CCC[N@@H+]([C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1	ZINC000014981907	556471388	/nfs/dbraw/zinc/47/13/88/556471388.db2.gz	YSSUDJJNWTXJMD-GOSISDBHSA-N	1	0	428.602	3.060	50	0		IGAARO
Cc1c(CN2C(=O)c3cccc(N4CC[NH+](C[C@@H]5CC=CCC5)CC4)c3C2=O)cnn1C	ZINC000014982339	556471401	/nfs/dbraw/zinc/47/14/01/556471401.db2.gz	AEZNUGWFYUAHBB-LJQANCHMSA-N	1	0	433.556	3.003	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4OC)C3)cc2C)CC1	ZINC000029404811	556474697	/nfs/dbraw/zinc/47/46/97/556474697.db2.gz	SBTBJEGOHNZIKZ-LJQANCHMSA-N	1	0	436.556	3.137	50	0		IGAARO
Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cn1	ZINC000014994388	556476779	/nfs/dbraw/zinc/47/67/79/556476779.db2.gz	FHGVKHLQYUEGRQ-KRWDZBQOSA-N	1	0	441.507	3.165	50	0		IGAARO
Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1	ZINC000015069932	556495102	/nfs/dbraw/zinc/49/51/02/556495102.db2.gz	XGAOXAGXPYFUJL-GOSISDBHSA-N	1	0	430.574	3.237	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1OC	ZINC000015076325	556499087	/nfs/dbraw/zinc/49/90/87/556499087.db2.gz	AKCHYIFVAJTLBG-HXUWFJFHSA-N	1	0	428.577	3.405	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1OC	ZINC000015076328	556499196	/nfs/dbraw/zinc/49/91/96/556499196.db2.gz	AKCHYIFVAJTLBG-FQEVSTJZSA-N	1	0	428.577	3.405	50	0		IGAARO
CCn1nccc1C(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1	ZINC000065265706	556523410	/nfs/dbraw/zinc/52/34/10/556523410.db2.gz	OOVWLGNOSFANOH-DEOSSOPVSA-N	1	0	429.528	3.218	50	0		IGAARO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12	ZINC000016012173	556574248	/nfs/dbraw/zinc/57/42/48/556574248.db2.gz	BFMZDHYCAYZMNW-DBHNTLKXSA-N	1	0	447.988	3.065	50	0		IGAARO
O=C([C@H](c1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCOCC1	ZINC000034870916	556584768	/nfs/dbraw/zinc/58/47/68/556584768.db2.gz	ONOQCIKVTKOVQE-NRFANRHFSA-N	1	0	448.489	3.213	50	0		IGAARO
CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc21	ZINC000016402296	556606048	/nfs/dbraw/zinc/60/60/48/556606048.db2.gz	RCYLZOFGUJVPCR-UHFFFAOYSA-N	1	0	435.524	3.377	50	0		IGAARO
COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1	ZINC000005057788	556628076	/nfs/dbraw/zinc/62/80/76/556628076.db2.gz	DDPODYPLPTXOCJ-MTBFFHQGSA-N	1	0	427.589	3.326	50	0		IGAARO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1cccc(C)c1	ZINC000040720440	556646268	/nfs/dbraw/zinc/64/62/68/556646268.db2.gz	QKQADHLXNWGAMN-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2	ZINC000247937436	556648309	/nfs/dbraw/zinc/64/83/09/556648309.db2.gz	HFSJYKGSYCVNDM-PMAPCBKXSA-N	1	0	433.570	3.269	50	0		IGAARO
O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000055072934	556733673	/nfs/dbraw/zinc/73/36/73/556733673.db2.gz	LDBYCUNBPOOPBX-HXUWFJFHSA-N	1	0	427.932	3.496	50	0		IGAARO
CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4cccc(OC)c4)c(C)c32)CC1	ZINC000033048360	556744668	/nfs/dbraw/zinc/74/46/68/556744668.db2.gz	OTCCZYVRCKVNHB-UHFFFAOYSA-N	1	0	425.558	3.080	50	0		IGAARO
C[C@H]1CCc2nc3ccccc3c(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)c2C1	ZINC000058014269	556753402	/nfs/dbraw/zinc/75/34/02/556753402.db2.gz	JYNDYEVSAICWPF-SFHVURJKSA-N	1	0	429.568	3.436	50	0		IGAARO
CC(C)[C@H](CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1)[NH+]1CCCCCC1	ZINC000058203119	556771745	/nfs/dbraw/zinc/77/17/45/556771745.db2.gz	PZUUZDUTNMMZIR-QFIPXVFZSA-N	1	0	440.592	3.222	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1	ZINC000058281113	556777253	/nfs/dbraw/zinc/77/72/53/556777253.db2.gz	SUVBJKFJXPYJCG-IBGZPJMESA-N	1	0	436.603	3.493	50	0		IGAARO
O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1	ZINC000058438739	556788726	/nfs/dbraw/zinc/78/87/26/556788726.db2.gz	KKGMXCZSGOKNKU-UWJYYQICSA-N	1	0	435.590	3.025	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@H+]3CCC[C@H](C)C3)s2)cc1	ZINC000033062080	556817739	/nfs/dbraw/zinc/81/77/39/556817739.db2.gz	ULUHHKYRABCAKB-KRWDZBQOSA-N	1	0	429.590	3.270	50	0		IGAARO
COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](n2cnnn2)C[C@H]1C(=O)N1CCCCCC1	ZINC000064137209	556822775	/nfs/dbraw/zinc/82/27/75/556822775.db2.gz	MZGDUTICXSGMKQ-UGKGYDQZSA-N	1	0	434.544	3.053	50	0		IGAARO
Cc1ccnc(N2CCC[C@@H](C(=O)NCC[N@H+](CCc3ccccc3)Cc3ccco3)C2)n1	ZINC000065001384	556830224	/nfs/dbraw/zinc/83/02/24/556830224.db2.gz	AKLAQLLZNMZAPA-HSZRJFAPSA-N	1	0	447.583	3.456	50	0		IGAARO
CCNc1cc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)nc(C)[nH+]1	ZINC000065362474	556834230	/nfs/dbraw/zinc/83/42/30/556834230.db2.gz	PDSMTQVGAJDAJN-UHFFFAOYSA-N	1	0	434.928	3.242	50	0		IGAARO
Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)CC1	ZINC000033069150	556840121	/nfs/dbraw/zinc/84/01/21/556840121.db2.gz	BBJNLITXIPSCDB-UHFFFAOYSA-N	1	0	429.952	3.032	50	0		IGAARO
Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000067620562	556844705	/nfs/dbraw/zinc/84/47/05/556844705.db2.gz	RODDBXLIYVKPEP-UHFFFAOYSA-N	1	0	432.528	3.129	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc3nnc(-c4ccc(C)cc4)n3n2)CC1	ZINC000033260265	556896877	/nfs/dbraw/zinc/89/68/77/556896877.db2.gz	NMXNTVDEGZQLPN-UHFFFAOYSA-N	1	0	449.603	3.164	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCCC1	ZINC000048309554	557059857	/nfs/dbraw/zinc/05/98/57/557059857.db2.gz	REMNDVYPLNTDKK-QFIPXVFZSA-N	1	0	428.577	3.306	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cc4ccccc4o2)CC3)cc1	ZINC000023128474	557065716	/nfs/dbraw/zinc/06/57/16/557065716.db2.gz	OZDRVYGXDOIFCL-UHFFFAOYSA-N	1	0	445.523	3.064	50	0		IGAARO
CC[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+]1CCc2ccccc2C1	ZINC000048326460	557068641	/nfs/dbraw/zinc/06/86/41/557068641.db2.gz	HMPOTJURKAMZIW-HSZRJFAPSA-N	1	0	431.540	3.250	50	0		IGAARO
COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C(C)C)CC1)n(-c1cccc(Cl)c1)c2=O	ZINC000033300558	557082415	/nfs/dbraw/zinc/08/24/15/557082415.db2.gz	LEGXPTOUYVQGDM-UHFFFAOYSA-N	1	0	440.931	3.356	50	0		IGAARO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4cccnc4)nc4ccccc43)cn2)CC1	ZINC000023318214	557083819	/nfs/dbraw/zinc/08/38/19/557083819.db2.gz	UFWNWTOVIBOGAF-UHFFFAOYSA-N	1	0	438.535	3.374	50	0		IGAARO
CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC000023337420	557084676	/nfs/dbraw/zinc/08/46/76/557084676.db2.gz	SMKXUACUFKKAHB-JOCHJYFZSA-N	1	0	437.544	3.455	50	0		IGAARO
Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1)CC2	ZINC000049400824	557096170	/nfs/dbraw/zinc/09/61/70/557096170.db2.gz	NPVRSYRFKIAVKJ-UHFFFAOYSA-N	1	0	436.943	3.080	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)c2cccs2)CC1	ZINC000025382154	557206643	/nfs/dbraw/zinc/20/66/43/557206643.db2.gz	QHDAPNCDPOSECJ-IBGZPJMESA-N	1	0	440.569	3.003	50	0		IGAARO
Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1ccc(Br)cc1	ZINC000025472517	557211966	/nfs/dbraw/zinc/21/19/66/557211966.db2.gz	IVQPLPGHZPKPFG-SFHVURJKSA-N	1	0	435.366	3.030	50	0		IGAARO
c1cnc(N2CC[NH+](CCCNc3nc(-c4ccncc4)nc4ccccc43)CC2)nc1	ZINC000025676993	557221662	/nfs/dbraw/zinc/22/16/62/557221662.db2.gz	PTKVAVROGZTKQK-UHFFFAOYSA-N	1	0	426.528	3.106	50	0		IGAARO
COc1cccc([C@H](CNC(=O)CN2C(=O)CSc3ccccc32)[NH+]2CCCC2)c1	ZINC000027341389	557260555	/nfs/dbraw/zinc/26/05/55/557260555.db2.gz	XLJCIXLYSDNFBE-FQEVSTJZSA-N	1	0	425.554	3.087	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000101344750	557279556	/nfs/dbraw/zinc/27/95/56/557279556.db2.gz	UXADPAGYIDYXOP-CQAGSAPUSA-N	1	0	429.520	3.149	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101410736	557284097	/nfs/dbraw/zinc/28/40/97/557284097.db2.gz	AMZNLDQBZRCRRJ-YRKFHGTDSA-N	1	0	429.520	3.297	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1	ZINC000100113782	557314581	/nfs/dbraw/zinc/31/45/81/557314581.db2.gz	TUZWNSIBMGCHLZ-KROKWJMESA-N	1	0	437.584	3.304	50	0		IGAARO
CCC(=O)N(CC[NH+]1CCCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1	ZINC000004880788	557400881	/nfs/dbraw/zinc/40/08/81/557400881.db2.gz	PAPVMDQSEVANRE-UHFFFAOYSA-N	1	0	425.573	3.494	50	0		IGAARO
CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC	ZINC000245279542	557461905	/nfs/dbraw/zinc/46/19/05/557461905.db2.gz	HOORLYAXGUIDQJ-PZJWPPBQSA-N	1	0	446.613	3.199	50	0		IGAARO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1	ZINC000106920904	557533370	/nfs/dbraw/zinc/53/33/70/557533370.db2.gz	WNXMTJVEDCKOHM-ZIAGYGMSSA-N	1	0	441.619	3.137	50	0		IGAARO
COc1cc([C@@H]2[NH2+]CC3(CCOCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC	ZINC000002123995	562925920	/nfs/dbraw/zinc/92/59/20/562925920.db2.gz	LBGNLEWEKFROPE-QFIPXVFZSA-N	1	0	427.497	3.224	50	0		IGAARO
CC[NH+](CC)CCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCN(C)C3	ZINC000002201150	562926294	/nfs/dbraw/zinc/92/62/94/562926294.db2.gz	IDAAQTJVZHPMND-UHFFFAOYSA-N	1	0	447.004	3.197	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1	ZINC000003657518	562937443	/nfs/dbraw/zinc/93/74/43/562937443.db2.gz	WQJPMKRTVRDDBZ-DHIUTWEWSA-N	1	0	441.547	3.211	50	0		IGAARO
CCc1nn(CC(=O)NCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc3sc(C)cc3n21	ZINC000008605057	562956567	/nfs/dbraw/zinc/95/65/67/562956567.db2.gz	WFEJQSANJHOAOR-UHFFFAOYSA-N	1	0	445.633	3.312	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCCC[NH+](C)C)nn1-c1ccc(F)cc1)C2	ZINC000032103925	568781069	/nfs/dbraw/zinc/78/10/69/568781069.db2.gz	QRKUFUMSGFKKQR-UHFFFAOYSA-N	1	0	438.503	3.281	50	0		IGAARO
CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2	ZINC000084456328	568798216	/nfs/dbraw/zinc/79/82/16/568798216.db2.gz	RSQXAORWXFWUKL-KBMIEXCESA-N	1	0	440.588	3.349	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C	ZINC000015671285	568802551	/nfs/dbraw/zinc/80/25/51/568802551.db2.gz	BADDBYWWMSMKNR-UHFFFAOYSA-N	1	0	443.617	3.211	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	ZINC000015678046	568804967	/nfs/dbraw/zinc/80/49/67/568804967.db2.gz	YRBUMLFWOPXCFA-UHFFFAOYSA-N	1	0	443.551	3.303	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)n2)cc1	ZINC000015679011	568805369	/nfs/dbraw/zinc/80/53/69/568805369.db2.gz	FVCHPFHJWHOTBV-UYAOXDASSA-N	1	0	441.576	3.200	50	0		IGAARO
C[NH+](C)CCCNC(=O)CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2	ZINC000085879077	568838985	/nfs/dbraw/zinc/83/89/85/568838985.db2.gz	FWYCUFTZICUCMU-UHFFFAOYSA-N	1	0	443.551	3.032	50	0		IGAARO
CCCC(=O)Nc1cccc(C(=O)NCc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)c1	ZINC000524729753	568903863	/nfs/dbraw/zinc/90/38/63/568903863.db2.gz	ICUOSPURYZADHC-UHFFFAOYSA-N	1	0	439.512	3.080	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1	ZINC000240626753	568911966	/nfs/dbraw/zinc/91/19/66/568911966.db2.gz	HJAGGNIYQASAOM-VXKWHMMOSA-N	1	0	437.584	3.165	50	0		IGAARO
C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)C[C@H](C)O1	ZINC000241439862	568912111	/nfs/dbraw/zinc/91/21/11/568912111.db2.gz	NMXWROZLTYVJFJ-RRZZWSPOSA-N	1	0	440.588	3.333	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c2)cc1	ZINC000016600109	568924985	/nfs/dbraw/zinc/92/49/85/568924985.db2.gz	ZWNHRQZOUKVSHT-UHFFFAOYSA-N	1	0	433.574	3.345	50	0		IGAARO
O=C([C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCSCC1	ZINC000035870701	568930713	/nfs/dbraw/zinc/93/07/13/568930713.db2.gz	NUZUJBZGCYFDJB-JTHBVZDNSA-N	1	0	425.573	3.264	50	0		IGAARO
Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(NC2CCCCC2)[nH+]1	ZINC000064814576	568963943	/nfs/dbraw/zinc/96/39/43/568963943.db2.gz	CKPDGHGOWPKXGA-UHFFFAOYSA-N	1	0	433.553	3.180	50	0		IGAARO
COc1cccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)c1	ZINC000064814603	568964167	/nfs/dbraw/zinc/96/41/67/568964167.db2.gz	ZAAOFAQNVWJZEJ-UHFFFAOYSA-N	1	0	445.589	3.049	50	0		IGAARO
CCc1ccccc1NC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1	ZINC000064836087	568969214	/nfs/dbraw/zinc/96/92/14/568969214.db2.gz	RNADFVZHHHUSMO-UHFFFAOYSA-N	1	0	441.535	3.406	50	0		IGAARO
CCn1c2ccccc2nc(N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)c1=O	ZINC000064873682	568978582	/nfs/dbraw/zinc/97/85/82/568978582.db2.gz	DMYNYZOZRSROBU-UHFFFAOYSA-N	1	0	439.604	3.015	50	0		IGAARO
COC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1	ZINC000036340154	569078655	/nfs/dbraw/zinc/07/86/55/569078655.db2.gz	RGABWVDUSRBQOW-DEOSSOPVSA-N	1	0	446.595	3.481	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036345591	569080608	/nfs/dbraw/zinc/08/06/08/569080608.db2.gz	MUEDNEPSQIFPLA-QHCPKHFHSA-N	1	0	448.567	3.347	50	0		IGAARO
CCCCN(CC)C(=O)c1cc(NC(=O)c2ccccc2OC)cnc1N1CC[NH2+]CC1	ZINC000065025417	569090658	/nfs/dbraw/zinc/09/06/58/569090658.db2.gz	QGFMKIJKFOHKLS-UHFFFAOYSA-N	1	0	439.560	3.014	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O	ZINC000065172609	569113299	/nfs/dbraw/zinc/11/32/99/569113299.db2.gz	PMXLBRIOANVTPY-UHFFFAOYSA-N	1	0	437.588	3.431	50	0		IGAARO
O=C(C1CCN(c2cc(N3CCCCC3)ncn2)CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000065236951	569119615	/nfs/dbraw/zinc/11/96/15/569119615.db2.gz	XXUBTIDZFNGQPV-UHFFFAOYSA-N	1	0	440.636	3.160	50	0		IGAARO
CCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](C4CCCCC4)CC3)C2)ncn1	ZINC000065245058	569121566	/nfs/dbraw/zinc/12/15/66/569121566.db2.gz	CQIWHCRSKMWXPI-HXUWFJFHSA-N	1	0	428.625	3.382	50	0		IGAARO
Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000036614892	569122349	/nfs/dbraw/zinc/12/23/49/569122349.db2.gz	MBGCXYPQEGAXGG-UHFFFAOYSA-N	1	0	428.549	3.026	50	0		IGAARO
COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	ZINC000524731823	569126637	/nfs/dbraw/zinc/12/66/37/569126637.db2.gz	LUCSLKHDZTYDEB-NRFANRHFSA-N	1	0	435.476	3.304	50	0		IGAARO
CCn1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2n2nccc2c1=O	ZINC000065270697	569127647	/nfs/dbraw/zinc/12/76/47/569127647.db2.gz	OIPNHFNRDGPXBF-UHFFFAOYSA-N	1	0	429.524	3.064	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12	ZINC000065270965	569127760	/nfs/dbraw/zinc/12/77/60/569127760.db2.gz	QJXACACBCSMDDT-UHFFFAOYSA-N	1	0	447.514	3.052	50	0		IGAARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1	ZINC000065272964	569129256	/nfs/dbraw/zinc/12/92/56/569129256.db2.gz	WDJADKWZDLIGNV-LJQANCHMSA-N	1	0	437.609	3.264	50	0		IGAARO
CC[NH+]1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccc(F)c(Cl)c2)CC1	ZINC000065306619	569133350	/nfs/dbraw/zinc/13/33/50/569133350.db2.gz	PTFVRPLVFTVHEM-UHFFFAOYSA-N	1	0	444.894	3.107	50	0		IGAARO
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000036875441	569138511	/nfs/dbraw/zinc/13/85/11/569138511.db2.gz	YXALRGVIQSMXTB-DQEYMECFSA-N	1	0	427.548	3.418	50	0		IGAARO
C[C@@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc43)n2C[C@@H]2CCCO2)CCO1	ZINC000170605515	569143765	/nfs/dbraw/zinc/14/37/65/569143765.db2.gz	KJXBJKQQVTUNNF-SJORKVTESA-N	1	0	427.574	3.418	50	0		IGAARO
CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	ZINC000170606121	569143873	/nfs/dbraw/zinc/14/38/73/569143873.db2.gz	XJLVBEJGGDSBOL-CEMLEFRQSA-N	1	0	447.595	3.150	50	0		IGAARO
CN(C[C@@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C	ZINC000170607399	569144221	/nfs/dbraw/zinc/14/42/21/569144221.db2.gz	ZZIMQDVPNYUKQC-IBGZPJMESA-N	1	0	440.629	3.118	50	0		IGAARO
CCOC(=O)c1ccc(C)c(S(=O)(=O)N(c2ccccc2OC)C2CC[NH+](C)CC2)c1	ZINC000170617405	569147309	/nfs/dbraw/zinc/14/73/09/569147309.db2.gz	NOPBCWKLDGCHOV-UHFFFAOYSA-N	1	0	446.569	3.470	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1Cl	ZINC000014574125	569159330	/nfs/dbraw/zinc/15/93/30/569159330.db2.gz	RPXLVACPMLQZDZ-QKLQHJQFSA-N	1	0	433.980	3.404	50	0		IGAARO
CCCC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CCCS1(=O)=O	ZINC000089950245	569168640	/nfs/dbraw/zinc/16/86/40/569168640.db2.gz	SEGFMKDQLBHZDV-JOCHJYFZSA-N	1	0	435.634	3.129	50	0		IGAARO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000252537990	569190116	/nfs/dbraw/zinc/19/01/16/569190116.db2.gz	MMQQPBNERVFTQM-YZGWKJHDSA-N	1	0	446.979	3.126	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000037523712	569198751	/nfs/dbraw/zinc/19/87/51/569198751.db2.gz	GPHXXHAXWKQFBV-UPVQGACJSA-N	1	0	428.548	3.471	50	0		IGAARO
CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1	ZINC000581820124	569211759	/nfs/dbraw/zinc/21/17/59/569211759.db2.gz	SRTDKZJYQCYNLK-XMMPIXPASA-N	1	0	427.633	3.433	50	0		IGAARO
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc3nsnc3c1)CC2	ZINC000014539924	569304833	/nfs/dbraw/zinc/30/48/33/569304833.db2.gz	FFYXBQDXTGIUHL-UHFFFAOYSA-N	1	0	435.553	3.163	50	0		IGAARO
Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)cc1	ZINC000013110102	569310403	/nfs/dbraw/zinc/31/04/03/569310403.db2.gz	XJESEWAKTFVTQX-UHFFFAOYSA-N	1	0	445.585	3.117	50	0		IGAARO
Cc1cccc(C[NH+]2CCC(CNC(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1	ZINC000020280232	569358677	/nfs/dbraw/zinc/35/86/77/569358677.db2.gz	STQUJEBEBZUYEU-UHFFFAOYSA-N	1	0	433.552	3.254	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC3CCN(S(=O)(=O)c4cccs4)CC3)c(C)c2)CC1	ZINC000095457147	569368934	/nfs/dbraw/zinc/36/89/34/569368934.db2.gz	JJNKRFTYDAPNIW-UHFFFAOYSA-N	1	0	448.658	3.464	50	0		IGAARO
O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000095460706	569369706	/nfs/dbraw/zinc/36/97/06/569369706.db2.gz	ZKUIEHWBQXLTKX-UHFFFAOYSA-N	1	0	446.548	3.053	50	0		IGAARO
CCCC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1	ZINC000096372471	569397881	/nfs/dbraw/zinc/39/78/81/569397881.db2.gz	RMSKLXHGWFQZFK-UHFFFAOYSA-N	1	0	437.588	3.383	50	0		IGAARO
COc1ccc(OC)c(-c2cc(C(=O)NCC3CC[NH+]([C@H]4CCSC4)CC3)n(C)n2)c1	ZINC000225572009	569404850	/nfs/dbraw/zinc/40/48/50/569404850.db2.gz	APSBVPJWIDJVAJ-KRWDZBQOSA-N	1	0	444.601	3.052	50	0		IGAARO
CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2	ZINC000230128093	569438791	/nfs/dbraw/zinc/43/87/91/569438791.db2.gz	RSQXAORWXFWUKL-UQBPGWFLSA-N	1	0	440.588	3.349	50	0		IGAARO
COc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1OC	ZINC000230207740	569440056	/nfs/dbraw/zinc/44/00/56/569440056.db2.gz	GEMVQONVDFUQKH-MOPGFXCFSA-N	1	0	442.560	3.457	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000003311848	569445545	/nfs/dbraw/zinc/44/55/45/569445545.db2.gz	PGTAKCUKHZQIGH-ZEQRLZLVSA-N	1	0	441.531	3.313	50	0		IGAARO
C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCc2ccccc21	ZINC000008126665	569462227	/nfs/dbraw/zinc/46/22/27/569462227.db2.gz	SXHIGBWERXWHRK-JOCHJYFZSA-N	1	0	427.570	3.419	50	0		IGAARO
CC(=O)N1c2ccc(S(=O)(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2C[C@@H]1C	ZINC000040146666	569492295	/nfs/dbraw/zinc/49/22/95/569492295.db2.gz	JGVCXIXACNVMLQ-JXFKEZNVSA-N	1	0	425.554	3.157	50	0		IGAARO
C[C@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@H](C)O1	ZINC000069373773	569503273	/nfs/dbraw/zinc/50/32/73/569503273.db2.gz	NUQZXAOKJPEVCN-HOTGVXAUSA-N	1	0	425.367	3.176	50	0		IGAARO
C[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1	ZINC000245328842	569504057	/nfs/dbraw/zinc/50/40/57/569504057.db2.gz	QAZJRAZPCXOPMT-IIBYNOLFSA-N	1	0	432.561	3.485	50	0		IGAARO
C[NH+](C)CCCNC(=S)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O	ZINC000009130899	569506207	/nfs/dbraw/zinc/50/62/07/569506207.db2.gz	IDPZUAFZEKBXQS-UHFFFAOYSA-N	1	0	442.994	3.085	50	0		IGAARO
C[NH+](C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccncc1	ZINC000009216097	569512109	/nfs/dbraw/zinc/51/21/09/569512109.db2.gz	JOFLJCZVMCCRSA-SFHVURJKSA-N	1	0	442.313	3.447	50	0		IGAARO
CC[NH+](CC)CCCn1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C	ZINC000009252800	569516093	/nfs/dbraw/zinc/51/60/93/569516093.db2.gz	OXVOYWDXTQJBGZ-UHFFFAOYSA-N	1	0	447.377	3.200	50	0		IGAARO
CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(C(=O)OC)cc4)cc3s2)CC1	ZINC000009316283	569522242	/nfs/dbraw/zinc/52/22/42/569522242.db2.gz	SBDPEGHKIQVSLB-UHFFFAOYSA-N	1	0	425.510	3.444	50	0		IGAARO
O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000009478537	569539355	/nfs/dbraw/zinc/53/93/55/569539355.db2.gz	AOVXLKFCLQDBIE-WOJBJXKFSA-N	1	0	446.551	3.025	50	0		IGAARO
O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000009589571	569549933	/nfs/dbraw/zinc/54/99/33/569549933.db2.gz	XUYBEKYLBAKCMB-UHFFFAOYSA-N	1	0	448.567	3.031	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)[NH+]2CCCCC2)cc1	ZINC000009669648	569558090	/nfs/dbraw/zinc/55/80/90/569558090.db2.gz	LPWXCFMORTZCAR-JOCHJYFZSA-N	1	0	435.524	3.306	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3OC)nc1=O)CCC2	ZINC000009746000	569565737	/nfs/dbraw/zinc/56/57/37/569565737.db2.gz	ZGBIUHABNQOSJA-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2OC)c2c1CCCC2	ZINC000009746963	569565755	/nfs/dbraw/zinc/56/57/55/569565755.db2.gz	ZWTJCLUZVDRKGY-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
C[N@H+](CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)Cc1ccccc1	ZINC000009984032	569576637	/nfs/dbraw/zinc/57/66/37/569576637.db2.gz	PPGDTUBJAYQMDC-UHFFFAOYSA-N	1	0	435.977	3.033	50	0		IGAARO
O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000010333951	569580998	/nfs/dbraw/zinc/58/09/98/569580998.db2.gz	FJGFXVKRDGCRSD-OAQYLSRUSA-N	1	0	431.492	3.460	50	0		IGAARO
O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000077104097	569585593	/nfs/dbraw/zinc/58/55/93/569585593.db2.gz	PUSVQTRGZAETFV-UHFFFAOYSA-N	1	0	447.626	3.142	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCO2)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1	ZINC000077200570	569586445	/nfs/dbraw/zinc/58/64/45/569586445.db2.gz	UJCNCMSIWAFQJM-UHFFFAOYSA-N	1	0	432.484	3.172	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)N1CCC([NH+]2CCCCC2)CC1	ZINC000033061579	569587382	/nfs/dbraw/zinc/58/73/82/569587382.db2.gz	DHSHXOPODQJYHW-UHFFFAOYSA-N	1	0	427.574	3.200	50	0		IGAARO
C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CC[NH+](CC)CC1	ZINC000035991402	569587801	/nfs/dbraw/zinc/58/78/01/569587801.db2.gz	YHJHGERBEUWLQX-NRFANRHFSA-N	1	0	446.979	3.047	50	0		IGAARO
COC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N3CC[NH+](C)CC3)c2c1C	ZINC000002912099	132258594	/nfs/dbraw/zinc/25/85/94/132258594.db2.gz	KODWRQIYTMZLGB-UHFFFAOYSA-N	1	0	439.541	3.099	50	0		IGAARO
Cc1cc(C)c2c(n1)SCC(=O)N2CCCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000006802950	132279118	/nfs/dbraw/zinc/27/91/18/132279118.db2.gz	AEEOZODJSAJFSI-IRXDYDNUSA-N	1	0	432.634	3.402	50	0		IGAARO
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000008690132	132290582	/nfs/dbraw/zinc/29/05/82/132290582.db2.gz	XSTKNPZSGWUAGH-UHFFFAOYSA-N	1	0	436.512	3.114	50	0		IGAARO
COc1ccc([C@H](CNC(=O)N2CCN(c3cccc(OC)c3)CC2)[NH+]2CCCC2)cc1	ZINC000009469227	132318645	/nfs/dbraw/zinc/31/86/45/132318645.db2.gz	YPIWYQDANHEHFW-DEOSSOPVSA-N	1	0	438.572	3.373	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1nnc(-c2ccccc2)o1	ZINC000009561232	132321479	/nfs/dbraw/zinc/32/14/79/132321479.db2.gz	SBIJSINZHALXGG-UHFFFAOYSA-N	1	0	425.920	3.332	50	0		IGAARO
O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1	ZINC000011698018	132339278	/nfs/dbraw/zinc/33/92/78/132339278.db2.gz	BFGDCNVITDUHRA-UHFFFAOYSA-N	1	0	446.536	3.279	50	0		IGAARO
CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	ZINC000012904875	518396056	/nfs/dbraw/zinc/39/60/56/518396056.db2.gz	KTUDHUFUEIPCGW-LJQANCHMSA-N	1	0	437.462	3.255	50	0		IGAARO
CC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1	ZINC000020472295	518421167	/nfs/dbraw/zinc/42/11/67/518421167.db2.gz	BHDGCMHCBHNJBE-DEOSSOPVSA-N	1	0	435.568	3.400	50	0		IGAARO
CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CC1	ZINC000014939358	519672301	/nfs/dbraw/zinc/67/23/01/519672301.db2.gz	QRXIKDFLRZGRSL-INIZCTEOSA-N	1	0	442.025	3.363	50	0		IGAARO
CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)cc(C)c2c1	ZINC000021704127	519734821	/nfs/dbraw/zinc/73/48/21/519734821.db2.gz	LNDJXNPJYLZZMX-UHFFFAOYSA-N	1	0	437.588	3.320	50	0		IGAARO
CCCC[N@H+](CC)CCCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O	ZINC000020574682	520476656	/nfs/dbraw/zinc/47/66/56/520476656.db2.gz	CCTALALHZJWQSQ-UHFFFAOYSA-N	1	0	443.523	3.209	50	0		IGAARO
CCOC(=O)C1CC[NH+]([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1	ZINC000022696842	520581628	/nfs/dbraw/zinc/58/16/28/520581628.db2.gz	VTZKTSWZKGFNGF-JOCHJYFZSA-N	1	0	428.529	3.255	50	0		IGAARO
CCOC(=O)N1CCC(N2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)CC1	ZINC000020784700	520923793	/nfs/dbraw/zinc/92/37/93/520923793.db2.gz	FPDDEYIWFVGLNV-OAQYLSRUSA-N	1	0	433.593	3.263	50	0		IGAARO
CC[N@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2)Cc1ccccc1	ZINC000020978232	521077401	/nfs/dbraw/zinc/07/74/01/521077401.db2.gz	UXICNIHCEAJVIP-INIZCTEOSA-N	1	0	433.599	3.167	50	0		IGAARO
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1	ZINC000020841254	521369178	/nfs/dbraw/zinc/36/91/78/521369178.db2.gz	IZVHYAPNFNFKDT-UHFFFAOYSA-N	1	0	442.560	3.242	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccsc3)CC2)c(Cl)c1	ZINC000012592730	521784101	/nfs/dbraw/zinc/78/41/01/521784101.db2.gz	SSNHWUNEOOBBRZ-UHFFFAOYSA-N	1	0	435.977	3.377	50	0		IGAARO
C[NH2+]C1(c2nnnn2-c2sc3c(c2C(=O)OC)CCCC3)C2CC3CC(C2)CC1C3	ZINC000035178164	521949057	/nfs/dbraw/zinc/94/90/57/521949057.db2.gz	PPGMSMPHXZYTEE-UHFFFAOYSA-N	1	0	427.574	3.260	50	0		IGAARO
CNS(=O)(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCCC4=O)cc3)o2)cc1	ZINC000012796188	522273787	/nfs/dbraw/zinc/27/37/87/522273787.db2.gz	WDPPYILJOHOADJ-UHFFFAOYSA-N	1	0	439.537	3.271	50	0		IGAARO
CCc1nn(CCCC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21	ZINC000020416772	522703317	/nfs/dbraw/zinc/70/33/17/522703317.db2.gz	OXOHDMIZVGZROX-ROUUACIJSA-N	1	0	441.576	3.354	50	0		IGAARO
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2O1	ZINC000020902398	523394704	/nfs/dbraw/zinc/39/47/04/523394704.db2.gz	PNXVOWOJPRCIMV-HXUWFJFHSA-N	1	0	428.577	3.098	50	0		IGAARO
COC(=O)[C@@H](NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)C(C)C	ZINC000012429608	523619463	/nfs/dbraw/zinc/61/94/63/523619463.db2.gz	BJFHJBPTHRYIRT-QFIPXVFZSA-N	1	0	425.529	3.052	50	0		IGAARO
Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	ZINC000020999025	524104369	/nfs/dbraw/zinc/10/43/69/524104369.db2.gz	JGKJTVDNHIBIOP-QHCPKHFHSA-N	1	0	432.572	3.475	50	0		IGAARO
Cc1ccc(CCC2CC[NH+]([C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1	ZINC000012924842	524305633	/nfs/dbraw/zinc/30/56/33/524305633.db2.gz	AYLKLWPRMDEIJJ-GOSISDBHSA-N	1	0	429.586	3.314	50	0		IGAARO
COc1ccccc1N1CC[NH+](CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1	ZINC000020484835	524554230	/nfs/dbraw/zinc/55/42/30/524554230.db2.gz	LZHSSBKZOGCWCS-UHFFFAOYSA-N	1	0	448.523	3.185	50	0		IGAARO
COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1	ZINC000012112141	524661337	/nfs/dbraw/zinc/66/13/37/524661337.db2.gz	PQWLPAAZSBRIKI-NRFANRHFSA-N	1	0	434.540	3.288	50	0		IGAARO
COc1ccc(OC)c(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000022465983	524867409	/nfs/dbraw/zinc/86/74/09/524867409.db2.gz	BHXGZONQJYIMKS-JTSKRJEESA-N	1	0	428.602	3.367	50	0		IGAARO
Cc1ccccc1-c1ccc(C[NH+]2CCC(n3cc(C(=O)NCCCO)nn3)CC2)cc1	ZINC000015071850	525004439	/nfs/dbraw/zinc/00/44/39/525004439.db2.gz	YRUKGADLLRUCPM-UHFFFAOYSA-N	1	0	433.556	3.203	50	0		IGAARO
Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)[nH+]1	ZINC000017121349	525061491	/nfs/dbraw/zinc/06/14/91/525061491.db2.gz	MFRDHUONPHHQIW-UHFFFAOYSA-N	1	0	443.617	3.328	50	0		IGAARO
Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698206	525325254	/nfs/dbraw/zinc/32/52/54/525325254.db2.gz	CKZOYDVJWVCFMX-JOCHJYFZSA-N	1	0	427.932	3.494	50	0		IGAARO
Cc1c(C(=O)NCCN2CC[NH+](C)CC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3	ZINC000020464735	525611385	/nfs/dbraw/zinc/61/13/85/525611385.db2.gz	KVMCVIFWGFIWIP-UHFFFAOYSA-N	1	0	439.556	3.387	50	0		IGAARO
C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCC1	ZINC000021811820	525793842	/nfs/dbraw/zinc/79/38/42/525793842.db2.gz	XISAJQIAIPYDMH-DEOSSOPVSA-N	1	0	426.561	3.384	50	0		IGAARO
CSc1ncc(CNCC(C)(C)C[NH+](C)C)c(N2CCN(c3ccc(F)cc3)CC2)n1	ZINC000022652854	526220981	/nfs/dbraw/zinc/22/09/81/526220981.db2.gz	YDAQTNUKIHIFPD-UHFFFAOYSA-N	1	0	446.640	3.342	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1	ZINC000035423387	526247537	/nfs/dbraw/zinc/24/75/37/526247537.db2.gz	LTCKJZHYBSRVLS-SFHVURJKSA-N	1	0	447.539	3.285	50	0		IGAARO
O=C(CCn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1	ZINC000020724023	526690268	/nfs/dbraw/zinc/69/02/68/526690268.db2.gz	LBVMCDNOTDVKKW-UHFFFAOYSA-N	1	0	444.579	3.371	50	0		IGAARO
Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1	ZINC000012242823	526704079	/nfs/dbraw/zinc/70/40/79/526704079.db2.gz	HFWCCWKGVODQOC-UHFFFAOYSA-N	1	0	431.540	3.335	50	0		IGAARO
NC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](Cc3cccc4ccccc43)CC1)CCC2	ZINC000022791952	527021469	/nfs/dbraw/zinc/02/14/69/527021469.db2.gz	JJPMJQRLSLFPTN-UHFFFAOYSA-N	1	0	448.592	3.245	50	0		IGAARO
Cn1c(CCN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21	ZINC000020533194	527049269	/nfs/dbraw/zinc/04/92/69/527049269.db2.gz	RAAMDBRJYZVAQD-UHFFFAOYSA-N	1	0	441.963	3.034	50	0		IGAARO
O=c1cc(C[NH+]2CCCCC2)nc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)[nH]1	ZINC000035926890	527476083	/nfs/dbraw/zinc/47/60/83/527476083.db2.gz	RLDJXJPEQXUSHT-UHFFFAOYSA-N	1	0	449.521	3.487	50	0		IGAARO
O=c1oc2cc(OCCN3CC[NH+](CCO)CC3)ccc2cc1-c1ccc(Cl)cc1	ZINC000020573092	527497856	/nfs/dbraw/zinc/49/78/56/527497856.db2.gz	PEMALWYBAZSTOV-UHFFFAOYSA-N	1	0	428.916	3.102	50	0		IGAARO
COc1cc(OC)c(OC)cc1CN1CCC([NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000004663147	536866312	/nfs/dbraw/zinc/86/63/12/536866312.db2.gz	GXJTZFRBYJGXIU-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1	ZINC000034682447	555816369	/nfs/dbraw/zinc/81/63/69/555816369.db2.gz	BFRVECZLCYFMGM-UHFFFAOYSA-N	1	0	448.036	3.334	50	0		IGAARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000034830316	555911642	/nfs/dbraw/zinc/91/16/42/555911642.db2.gz	CRXWWJUMKFJHMV-FDDCHVKYSA-N	1	0	437.609	3.473	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C	ZINC000034830262	555911751	/nfs/dbraw/zinc/91/17/51/555911751.db2.gz	JPBSWCCJEULJAV-HOYKHHGWSA-N	1	0	425.598	3.473	50	0		IGAARO
O[C@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)COc1ccc(Cl)c(Cl)c1	ZINC000003467465	555935937	/nfs/dbraw/zinc/93/59/37/555935937.db2.gz	SINZMKKOALSSSA-SNVBAGLBSA-N	1	0	425.238	3.244	50	0		IGAARO
O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000005897222	556068944	/nfs/dbraw/zinc/06/89/44/556068944.db2.gz	RPXKAZZLVHURRO-FQEVSTJZSA-N	1	0	425.573	3.128	50	0		IGAARO
O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000002778101	556141020	/nfs/dbraw/zinc/14/10/20/556141020.db2.gz	IGKMBQXHNGXJPK-HNNXBMFYSA-N	1	0	433.409	3.474	50	0		IGAARO
COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccc(OC)c(OC)c3)C2)c1	ZINC000002974555	556152939	/nfs/dbraw/zinc/15/29/39/556152939.db2.gz	SAHUATAPHZRMIT-DEOSSOPVSA-N	1	0	427.521	3.371	50	0		IGAARO
CCCCOCCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000013720046	556288983	/nfs/dbraw/zinc/28/89/83/556288983.db2.gz	KAEOHVYNGVBBID-XMMPIXPASA-N	1	0	441.572	3.286	50	0		IGAARO
COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000013720705	556289753	/nfs/dbraw/zinc/28/97/53/556289753.db2.gz	SHJMLRZSWAAHRC-DEOSSOPVSA-N	1	0	447.535	3.288	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)CC1	ZINC000032748012	556316625	/nfs/dbraw/zinc/31/66/25/556316625.db2.gz	IWCSGRZBYLHBIU-IBGZPJMESA-N	1	0	427.570	3.453	50	0		IGAARO
COC(=O)CCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000011878665	556371341	/nfs/dbraw/zinc/37/13/41/556371341.db2.gz	MIUVMODNNLOALX-XMMPIXPASA-N	1	0	442.600	3.217	50	0		IGAARO
COc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)c2ccccc12	ZINC000011880428	556372439	/nfs/dbraw/zinc/37/24/39/556372439.db2.gz	XSGCGGHPKZIAKM-KNQAVFIVSA-N	1	0	434.544	3.053	50	0		IGAARO
O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2	ZINC000011909391	556374716	/nfs/dbraw/zinc/37/47/16/556374716.db2.gz	ROJWKIUUNQQSMM-UHFFFAOYSA-N	1	0	441.535	3.455	50	0		IGAARO
CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc2c([nH]c1=O)CCCC2	ZINC000011933626	556376763	/nfs/dbraw/zinc/37/67/63/556376763.db2.gz	XMVPHQNYMSUORO-UHFFFAOYSA-N	1	0	425.548	3.420	50	0		IGAARO
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc4cccnc4c2)CC3)CC1	ZINC000011996402	556384083	/nfs/dbraw/zinc/38/40/83/556384083.db2.gz	YGCSIGITTBMRCJ-NRFANRHFSA-N	1	0	436.556	3.138	50	0		IGAARO
Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cc4ccccc4[nH]2)CC3)cc1	ZINC000012027197	556388166	/nfs/dbraw/zinc/38/81/66/556388166.db2.gz	ZVYUQCQBUSRIET-UHFFFAOYSA-N	1	0	428.540	3.099	50	0		IGAARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000014200466	556390871	/nfs/dbraw/zinc/39/08/71/556390871.db2.gz	OUWFJHWHXGUEEO-HSZRJFAPSA-N	1	0	441.597	3.428	50	0		IGAARO
O=C(NCCCO)c1cn([C@@H]2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)nn1	ZINC000012050264	556392135	/nfs/dbraw/zinc/39/21/35/556392135.db2.gz	JVILOWTZYQCIJM-HXUWFJFHSA-N	1	0	435.528	3.020	50	0		IGAARO
COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1	ZINC000012053235	556393115	/nfs/dbraw/zinc/39/31/15/556393115.db2.gz	SNIAQUAQEBXCPO-SFHVURJKSA-N	1	0	449.555	3.153	50	0		IGAARO
Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1	ZINC000014543456	556426531	/nfs/dbraw/zinc/42/65/31/556426531.db2.gz	RGQVSISNVHWFJX-HXUWFJFHSA-N	1	0	428.552	3.106	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2	ZINC000014742481	556439437	/nfs/dbraw/zinc/43/94/37/556439437.db2.gz	JKLVXGZXMUEGPF-WLGSGIEKSA-N	1	0	428.646	3.128	50	0		IGAARO
Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C	ZINC000014751138	556443720	/nfs/dbraw/zinc/44/37/20/556443720.db2.gz	ZHQHHRDRBUDIFX-UHFFFAOYSA-N	1	0	449.599	3.151	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000072272920	556445531	/nfs/dbraw/zinc/44/55/31/556445531.db2.gz	GIANQEIVVSGMEC-UHFFFAOYSA-N	1	0	427.511	3.335	50	0		IGAARO
Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CN2CCOC2=O)C2CCCC2)CC1	ZINC000014975608	556468338	/nfs/dbraw/zinc/46/83/38/556468338.db2.gz	TVSLJYMBCZITLY-UHFFFAOYSA-N	1	0	427.589	3.473	50	0		IGAARO
COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C2CC[NH+](CCc3ccccc3)CC2)c1	ZINC000014997601	556478576	/nfs/dbraw/zinc/47/85/76/556478576.db2.gz	BETDPQDEOHWUKZ-URXFXBBRSA-N	1	0	435.568	3.200	50	0		IGAARO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]([C@@H]1CCOC1)N1CCOCC1	ZINC000030666169	556501414	/nfs/dbraw/zinc/50/14/14/556501414.db2.gz	CIEOTPQTBMHXQR-OFNKIYASSA-N	1	0	432.996	3.029	50	0		IGAARO
COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)c1	ZINC000030834254	556507235	/nfs/dbraw/zinc/50/72/35/556507235.db2.gz	QPJZEVYINXQLFM-VNGKGULCSA-O	1	0	432.475	3.159	50	0		IGAARO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1	ZINC000015536731	556533556	/nfs/dbraw/zinc/53/35/56/556533556.db2.gz	QHFUNNKXNSIAFM-MBOZVWFJSA-N	1	0	449.642	3.447	50	0		IGAARO
COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F	ZINC000016228294	556593588	/nfs/dbraw/zinc/59/35/88/556593588.db2.gz	ZAUALZCNMALEEN-UHFFFAOYSA-N	1	0	444.528	3.393	50	0		IGAARO
Cn1c(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccccc1F	ZINC000032986408	556606062	/nfs/dbraw/zinc/60/60/62/556606062.db2.gz	STDYJTWBBJPSGV-QGZVFWFLSA-N	1	0	425.533	3.104	50	0		IGAARO
C[C@@H](CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCCCC1	ZINC000032987693	556608021	/nfs/dbraw/zinc/60/80/21/556608021.db2.gz	DJOHSGOIIJXIRI-KRWDZBQOSA-N	1	0	445.589	3.078	50	0		IGAARO
Cc1cccc(N2CCC([NH+]3CCC(n4nccc4NC(=O)[C@@H]4CCOC4)CC3)CC2)c1	ZINC000039454937	556629169	/nfs/dbraw/zinc/62/91/69/556629169.db2.gz	FDZKRSYWILXDCJ-HXUWFJFHSA-N	1	0	437.588	3.472	50	0		IGAARO
COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409415050	556641716	/nfs/dbraw/zinc/64/17/16/556641716.db2.gz	SAHUXLQJUMGPKJ-KNQAVFIVSA-N	1	0	440.588	3.398	50	0		IGAARO
COc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1cccc(C)c1	ZINC000040720752	556646929	/nfs/dbraw/zinc/64/69/29/556646929.db2.gz	IQCIVOSVPWGRBD-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3OC)C[C@@H]2CCO)c(C)c1C	ZINC000019225962	556717089	/nfs/dbraw/zinc/71/70/89/556717089.db2.gz	QJNWQFFHBZBXGJ-QFIPXVFZSA-N	1	0	428.573	3.398	50	0		IGAARO
CCc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n(C)n1	ZINC000055568969	556742582	/nfs/dbraw/zinc/74/25/82/556742582.db2.gz	FKORPMNLLHLNBK-HXUWFJFHSA-N	1	0	449.521	3.428	50	0		IGAARO
Cc1c(NC(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(=O)n(-c2ccccc2)n1C	ZINC000058131709	556760262	/nfs/dbraw/zinc/76/02/62/556760262.db2.gz	BEZZSFJPYQMMCE-UHFFFAOYSA-N	1	0	432.524	3.308	50	0		IGAARO
CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1	ZINC000061999528	556764076	/nfs/dbraw/zinc/76/40/76/556764076.db2.gz	QMRDWBOJBXXNFN-NNPDTBDGSA-N	1	0	433.508	3.442	50	0		IGAARO
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1	ZINC000059119437	556794840	/nfs/dbraw/zinc/79/48/40/556794840.db2.gz	MLYNOYXXOUHRFN-HSZRJFAPSA-N	1	0	441.572	3.469	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+](C)Cc3ccccc3)s2)cc1	ZINC000033060160	556816514	/nfs/dbraw/zinc/81/65/14/556816514.db2.gz	KBRIZUXKNOYQBZ-UHFFFAOYSA-N	1	0	439.541	3.051	50	0		IGAARO
C[C@@H](CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCCCC1	ZINC000033061771	556817297	/nfs/dbraw/zinc/81/72/97/556817297.db2.gz	NUGAMFMJBIWODT-KRWDZBQOSA-N	1	0	429.590	3.494	50	0		IGAARO
O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000004711338	556889632	/nfs/dbraw/zinc/88/96/32/556889632.db2.gz	ZEXDHNRLJMFCFU-RUZDIDTESA-N	1	0	433.596	3.149	50	0		IGAARO
CC(C)Cc1cc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1	ZINC000019792357	556915559	/nfs/dbraw/zinc/91/55/59/556915559.db2.gz	VPNXLFMCKWHLDM-QHCPKHFHSA-N	1	0	439.604	3.119	50	0		IGAARO
CC[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(OC)cc2)CC1	ZINC000019796766	556916275	/nfs/dbraw/zinc/91/62/75/556916275.db2.gz	DUHYIQUWUQZRJF-QHCPKHFHSA-N	1	0	434.540	3.459	50	0		IGAARO
NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1	ZINC000077010946	556995668	/nfs/dbraw/zinc/99/56/68/556995668.db2.gz	DWTZPAPYTNXJRI-NRFANRHFSA-N	1	0	446.555	3.182	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1	ZINC000022921065	557047381	/nfs/dbraw/zinc/04/73/81/557047381.db2.gz	NLQWCDFIRRZLNQ-NVQXNPDNSA-N	1	0	440.584	3.277	50	0		IGAARO
Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	ZINC000072288414	557149043	/nfs/dbraw/zinc/14/90/43/557149043.db2.gz	SIQMZJWRRPQQTL-NRFANRHFSA-N	1	0	433.618	3.034	50	0		IGAARO
COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21	ZINC000098063906	557233026	/nfs/dbraw/zinc/23/30/26/557233026.db2.gz	YEWKVMBYNZAGPX-OEYYQIPYSA-N	1	0	437.584	3.375	50	0		IGAARO
C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000026299382	557238719	/nfs/dbraw/zinc/23/87/19/557238719.db2.gz	WGDYMXAVYKISAG-XMSQKQJNSA-N	1	0	447.539	3.395	50	0		IGAARO
C[NH+]1CCN([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc(Cl)cc2)CC1	ZINC000027579618	557266040	/nfs/dbraw/zinc/26/60/40/557266040.db2.gz	SBVVIQYBLAYIRI-HXUWFJFHSA-N	1	0	425.916	3.165	50	0		IGAARO
C[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)c1ccc2c(c1)CCCC2	ZINC000027780150	557273855	/nfs/dbraw/zinc/27/38/55/557273855.db2.gz	FJBYTMKIPVRSAE-HNNXBMFYSA-N	1	0	425.495	3.133	50	0		IGAARO
CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCn2c3ccccc3oc2=O)cc1	ZINC000004879603	557400561	/nfs/dbraw/zinc/40/05/61/557400561.db2.gz	PCXSLSMRUUPAIY-UHFFFAOYSA-N	1	0	425.485	3.122	50	0		IGAARO
CC[NH+](CC)CCN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C	ZINC000040089850	557689558	/nfs/dbraw/zinc/68/95/58/557689558.db2.gz	CYMGPSLUXVVILJ-RUZDIDTESA-N	1	0	442.604	3.202	50	0		IGAARO
Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1S(C)(=O)=O	ZINC000685939939	557838823	/nfs/dbraw/zinc/83/88/23/557838823.db2.gz	RPIHIUBUEMRAJU-WOJBJXKFSA-N	1	0	427.570	3.384	50	0		IGAARO
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CC[NH+](C)CC1	ZINC000002633106	562928890	/nfs/dbraw/zinc/92/88/90/562928890.db2.gz	UWKVOFDZCPFIKZ-UHFFFAOYSA-N	1	0	447.988	3.258	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1	ZINC000003657517	562937454	/nfs/dbraw/zinc/93/74/54/562937454.db2.gz	WQJPMKRTVRDDBZ-XZOQPEGZSA-N	1	0	441.547	3.211	50	0		IGAARO
CC[NH+](CC)CCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3C)c2c1=O	ZINC000008611040	562958395	/nfs/dbraw/zinc/95/83/95/562958395.db2.gz	STKBYFHJWRAGRV-UHFFFAOYSA-N	1	0	445.567	3.166	50	0		IGAARO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000009823707	562977263	/nfs/dbraw/zinc/97/72/63/562977263.db2.gz	BLSWYRJLVNCNSI-HXUWFJFHSA-N	1	0	431.558	3.021	50	0		IGAARO
COc1ccccc1OCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055212090	563142497	/nfs/dbraw/zinc/14/24/97/563142497.db2.gz	LSGDOQOEJKBRDJ-OAQYLSRUSA-N	1	0	427.520	3.026	50	0		IGAARO
C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)C[C@@H](C)O1	ZINC000106103897	568624737	/nfs/dbraw/zinc/62/47/37/568624737.db2.gz	NMXWROZLTYVJFJ-ZRXZBVFWSA-N	1	0	440.588	3.333	50	0		IGAARO
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(OC)ccc(OC)c12	ZINC000252495826	568638967	/nfs/dbraw/zinc/63/89/67/568638967.db2.gz	PCOMADIFHYJITB-HYEPYWIQSA-N	1	0	447.531	3.335	50	0		IGAARO
CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)c1	ZINC000299773881	568756842	/nfs/dbraw/zinc/75/68/42/568756842.db2.gz	GHZJUVWPHIFYLD-HSZRJFAPSA-N	1	0	429.586	3.321	50	0		IGAARO
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cnc3ccccc3c1)CC2	ZINC000299784204	568757342	/nfs/dbraw/zinc/75/73/42/568757342.db2.gz	WWZAYDRWKSSUOT-IBGZPJMESA-N	1	0	429.524	3.481	50	0		IGAARO
O=C(NCC[NH+]1CCCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1	ZINC000299795986	568757905	/nfs/dbraw/zinc/75/79/05/568757905.db2.gz	NVIQNPCSEPSDEQ-UHFFFAOYSA-N	1	0	428.540	3.131	50	0		IGAARO
Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC[NH+]2CCCCCC2)n1	ZINC000015729772	568813646	/nfs/dbraw/zinc/81/36/46/568813646.db2.gz	JBFGQFSHRBHHKF-UHFFFAOYSA-N	1	0	428.924	3.490	50	0		IGAARO
CC[N@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2)Cc1ccccc1	ZINC000015730996	568814392	/nfs/dbraw/zinc/81/43/92/568814392.db2.gz	FOTFNYAWWVIWRN-INIZCTEOSA-N	1	0	433.599	3.310	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001718	568862285	/nfs/dbraw/zinc/86/22/85/568862285.db2.gz	DTKIXLBQVYIXOU-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
C[NH+](C)C1(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCCC1	ZINC000012940763	568869705	/nfs/dbraw/zinc/86/97/05/568869705.db2.gz	PJRZBTSKDONUEE-UHFFFAOYSA-N	1	0	435.634	3.175	50	0		IGAARO
NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000242305008	568912730	/nfs/dbraw/zinc/91/27/30/568912730.db2.gz	YUAAPMQCVYTONT-DKIMLUQUSA-N	1	0	426.542	3.137	50	0		IGAARO
CC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064776096	568955076	/nfs/dbraw/zinc/95/50/76/568955076.db2.gz	NZZBZKPPBQRKHP-NRFANRHFSA-N	1	0	435.572	3.316	50	0		IGAARO
CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCC(C)C	ZINC000036151040	568964023	/nfs/dbraw/zinc/96/40/23/568964023.db2.gz	KMRKOSOCNCUPGM-NRFANRHFSA-N	1	0	431.577	3.424	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O	ZINC000064819389	568966209	/nfs/dbraw/zinc/96/62/09/568966209.db2.gz	AXDBUOVYUMYAMD-UHFFFAOYSA-N	1	0	445.567	3.202	50	0		IGAARO
CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COC	ZINC000036309228	568995796	/nfs/dbraw/zinc/99/57/96/568995796.db2.gz	YOMKYCHPPHFXKD-CTNGQTDRSA-N	1	0	446.613	3.281	50	0		IGAARO
CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COC	ZINC000036309227	568995917	/nfs/dbraw/zinc/99/59/17/568995917.db2.gz	YOMKYCHPPHFXKD-FPOVZHCZSA-N	1	0	446.613	3.281	50	0		IGAARO
O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)N1CC[NH+](C2CCCCC2)CC1	ZINC000065061680	569096828	/nfs/dbraw/zinc/09/68/28/569096828.db2.gz	XBKOCQKXBOBMRD-UHFFFAOYSA-N	1	0	439.647	3.016	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1	ZINC000036390953	569097568	/nfs/dbraw/zinc/09/75/68/569097568.db2.gz	GDKGEMUZHSLXAT-QZTJIDSGSA-N	1	0	445.585	3.204	50	0		IGAARO
C[C@H](CCNC(=O)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1)[NH+]1CCCCCC1	ZINC000065111869	569107817	/nfs/dbraw/zinc/10/78/17/569107817.db2.gz	MYIUZBPKXGWIPH-CQSZACIVSA-N	1	0	447.923	3.064	50	0		IGAARO
CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153597	569112069	/nfs/dbraw/zinc/11/20/69/569112069.db2.gz	WJSQAAZMWPCKQK-UHFFFAOYSA-N	1	0	430.552	3.241	50	0		IGAARO
Cc1cc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)nn1C	ZINC000065265710	569127100	/nfs/dbraw/zinc/12/71/00/569127100.db2.gz	ZTSPXRLBOWBIFS-DEOSSOPVSA-N	1	0	429.528	3.044	50	0		IGAARO
CCC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)CC1	ZINC000065270948	569127789	/nfs/dbraw/zinc/12/77/89/569127789.db2.gz	RZRSVADNDJASNK-UHFFFAOYSA-N	1	0	447.514	3.004	50	0		IGAARO
CC(C)Cn1c2ccccc2n2nc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2c1=O	ZINC000065292388	569130770	/nfs/dbraw/zinc/13/07/70/569130770.db2.gz	LREUHGUHDLMHGM-UHFFFAOYSA-N	1	0	435.572	3.396	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000065615085	569140266	/nfs/dbraw/zinc/14/02/66/569140266.db2.gz	XNIMSJHXTWRPHL-HXUWFJFHSA-N	1	0	429.948	3.331	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000252016301	569172153	/nfs/dbraw/zinc/17/21/53/569172153.db2.gz	VSEDSEJRMWHEJN-FUSMBFRDSA-N	1	0	429.520	3.297	50	0		IGAARO
COc1ccc(-n2nc3nc(NCC[NH+](C)C)nc(-c4cccc(OC)c4)c3c2N)cc1	ZINC000037359847	569181430	/nfs/dbraw/zinc/18/14/30/569181430.db2.gz	DKTOGSKBKAXBBB-UHFFFAOYSA-N	1	0	433.516	3.055	50	0		IGAARO
COc1cccc([C@H](CNC(=O)CCN2C(=O)CSc3ccccc32)[NH+]2CCCC2)c1	ZINC000027341635	569190746	/nfs/dbraw/zinc/19/07/46/569190746.db2.gz	WMNMZKUJMKOMON-NRFANRHFSA-N	1	0	439.581	3.477	50	0		IGAARO
Cc1cn([C@H](C)C(=O)NCC[NH+](C)C)/c(=N/C(=O)c2ccc(Cl)cc2Cl)s1	ZINC000037428514	569196054	/nfs/dbraw/zinc/19/60/54/569196054.db2.gz	SLEXHNOUHQXMQT-DIPZADQQSA-N	1	0	429.373	3.145	50	0		IGAARO
Cc1ccncc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819698	569211396	/nfs/dbraw/zinc/21/13/96/569211396.db2.gz	CKIUGKMTJMHTIX-HSZRJFAPSA-N	1	0	434.584	3.366	50	0		IGAARO
CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1	ZINC000581820134	569211709	/nfs/dbraw/zinc/21/17/09/569211709.db2.gz	UHKUDDFLEZBXJN-QFIPXVFZSA-N	1	0	438.616	3.277	50	0		IGAARO
O=C(CC1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000581820072	569211721	/nfs/dbraw/zinc/21/17/21/569211721.db2.gz	PYWKDRCKROHFKK-QFIPXVFZSA-N	1	0	426.605	3.324	50	0		IGAARO
Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1	ZINC000581820090	569211769	/nfs/dbraw/zinc/21/17/69/569211769.db2.gz	QKHPVADGNBPURF-QHCPKHFHSA-N	1	0	428.621	3.244	50	0		IGAARO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCCCCC3)n1C)CC2	ZINC000253414751	569266071	/nfs/dbraw/zinc/26/60/71/569266071.db2.gz	YMABSTUXBKNNPZ-UHFFFAOYSA-N	1	0	441.572	3.042	50	0		IGAARO
O=C(c1csc(I)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1	ZINC000079105983	569325625	/nfs/dbraw/zinc/32/56/25/569325625.db2.gz	SHUPZYSQWAOESY-CQSZACIVSA-N	1	0	434.343	3.070	50	0		IGAARO
CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O2	ZINC000095455504	569368543	/nfs/dbraw/zinc/36/85/43/569368543.db2.gz	MLIIPJIXOWWSFX-YADARESESA-N	1	0	429.561	3.492	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1Cl	ZINC000095947863	569376399	/nfs/dbraw/zinc/37/63/99/569376399.db2.gz	RPXLVACPMLQZDZ-ABSDTBQOSA-N	1	0	433.980	3.404	50	0		IGAARO
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2n1	ZINC000002792083	569421859	/nfs/dbraw/zinc/42/18/59/569421859.db2.gz	SITOLYYNTFRUSS-AWEZNQCLSA-N	1	0	427.455	3.263	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000230080349	569434171	/nfs/dbraw/zinc/43/41/71/569434171.db2.gz	NRDQZTCWQCIOSU-JTHBVZDNSA-N	1	0	437.588	3.174	50	0		IGAARO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1C[C@@H](OCC)C12CCCCC2	ZINC000230160383	569439822	/nfs/dbraw/zinc/43/98/22/569439822.db2.gz	JXKHJAIEPFCSNA-WOJBJXKFSA-N	1	0	437.606	3.112	50	0		IGAARO
[NH2+]=C1c2ccccc2CN1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1	ZINC000003193263	569441483	/nfs/dbraw/zinc/44/14/83/569441483.db2.gz	SDMOJJJSALPBIU-HSZRJFAPSA-N	1	0	437.503	3.381	50	0		IGAARO
Cc1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c2cccc(Cl)c2n1	ZINC000670447930	569454222	/nfs/dbraw/zinc/45/42/22/569454222.db2.gz	UFUZGNBADPXIKG-OUXPZVHUSA-N	1	0	446.982	3.494	50	0		IGAARO
Nc1nc(N2CC[NH+](C3CCCCC3)CC2)ncc1C(=O)NCc1ccc(F)c(Cl)c1	ZINC000067336468	569468933	/nfs/dbraw/zinc/46/89/33/569468933.db2.gz	QPXLPBCGKDTHSP-UHFFFAOYSA-N	1	0	446.958	3.236	50	0		IGAARO
O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000008893157	569483572	/nfs/dbraw/zinc/48/35/72/569483572.db2.gz	ZEPMSJAIIPJYRS-GOSISDBHSA-N	1	0	429.542	3.191	50	0		IGAARO
COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)C2	ZINC000244893075	569496356	/nfs/dbraw/zinc/49/63/56/569496356.db2.gz	YVDJFEVOOQFHED-FDDCHVKYSA-N	1	0	441.547	3.371	50	0		IGAARO
C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1	ZINC000245380876	569505571	/nfs/dbraw/zinc/50/55/71/569505571.db2.gz	QQRAPILVPZAQCR-QRVBRYPASA-N	1	0	430.622	3.314	50	0		IGAARO
Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000069656244	569511723	/nfs/dbraw/zinc/51/17/23/569511723.db2.gz	YQHOXILAKAZPQR-RTBURBONSA-N	1	0	445.567	3.383	50	0		IGAARO
Cc1oc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1CS(=O)(=O)c1ccc(C)cc1	ZINC000009212110	569511999	/nfs/dbraw/zinc/51/19/99/569511999.db2.gz	BBVKZMNZMXPOCL-UHFFFAOYSA-N	1	0	441.553	3.224	50	0		IGAARO
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000069740233	569515767	/nfs/dbraw/zinc/51/57/67/569515767.db2.gz	PTWZTQZYPILZQP-OAQYLSRUSA-N	1	0	431.540	3.043	50	0		IGAARO
CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCCC1	ZINC000009256610	569516743	/nfs/dbraw/zinc/51/67/43/569516743.db2.gz	YWKNMGXTUNCNQM-ICSRJNTNSA-N	1	0	449.617	3.463	50	0		IGAARO
CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCCC1	ZINC000009256605	569516760	/nfs/dbraw/zinc/51/67/60/569516760.db2.gz	YWKNMGXTUNCNQM-QUCCMNQESA-N	1	0	449.617	3.463	50	0		IGAARO
O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000009363975	569525939	/nfs/dbraw/zinc/52/59/39/569525939.db2.gz	MORRDDJIMPSTDR-KNQAVFIVSA-N	1	0	446.551	3.168	50	0		IGAARO
CC[NH+](CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1OC	ZINC000009462000	569537146	/nfs/dbraw/zinc/53/71/46/569537146.db2.gz	GXTPVJRDZIYUDY-XLNRJJMWSA-N	1	0	448.567	3.416	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Cc1ccccc1	ZINC000009670592	569558360	/nfs/dbraw/zinc/55/83/60/569558360.db2.gz	GGMXFHBJCPXZKY-NRFANRHFSA-N	1	0	426.520	3.288	50	0		IGAARO
C[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1	ZINC000009676793	569559480	/nfs/dbraw/zinc/55/94/80/569559480.db2.gz	BHMBLJFURXQDLG-UHFFFAOYSA-N	1	0	441.597	3.176	50	0		IGAARO
Cc1ccc(-n2nc(C(=O)NCCC[NH+]3CCCC3)c3c4ccccc4n(C)c3c2=O)cc1	ZINC000009777058	569567085	/nfs/dbraw/zinc/56/70/85/569567085.db2.gz	GDRUXMLSRMJOKO-UHFFFAOYSA-N	1	0	443.551	3.402	50	0		IGAARO
CC[NH+]1CCC(NC(=O)CSc2nnc(N3CCCCC3)n2-c2ccc(C)cc2)CC1	ZINC000010195282	569578921	/nfs/dbraw/zinc/57/89/21/569578921.db2.gz	GBUXLGVVIPHULJ-UHFFFAOYSA-N	1	0	442.633	3.259	50	0		IGAARO
COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1	ZINC000010334137	569581095	/nfs/dbraw/zinc/58/10/95/569581095.db2.gz	JCVVSOQVMJHDPE-QHCPKHFHSA-N	1	0	431.536	3.418	50	0		IGAARO
CC[NH+]1CCN(c2nccc(-c3cnc4nc(-c5ccc(Cl)cc5)nn4c3C)n2)CC1	ZINC000054202029	193929517	/nfs/dbraw/zinc/92/95/17/193929517.db2.gz	VKBSFZNCHFSDDX-UHFFFAOYSA-N	1	0	434.935	3.352	50	0		IGAARO
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+](CC)CC)CC2)c2cc(C)ccc2O1	ZINC000006846976	132279772	/nfs/dbraw/zinc/27/97/72/132279772.db2.gz	OSDGXYSXFKRFAK-HXUWFJFHSA-N	1	0	430.593	3.262	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000009440823	132317885	/nfs/dbraw/zinc/31/78/85/132317885.db2.gz	ABYVSRLCRABACW-IBGZPJMESA-N	1	0	440.975	3.387	50	0		IGAARO
CC(=O)Nc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1	ZINC000012126700	519715685	/nfs/dbraw/zinc/71/56/85/519715685.db2.gz	NLOYOBIORMPCSH-FQEVSTJZSA-N	1	0	429.590	3.424	50	0		IGAARO
CCCC(=O)OC[C@H](O)CN(CC[NH+]1CCCC1)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840494	519881192	/nfs/dbraw/zinc/88/11/92/519881192.db2.gz	ZVKNEANDRFOEPB-XMMPIXPASA-N	1	0	445.579	3.278	50	0		IGAARO
CCCCCN(CCC(=O)N(CC[NH+](C)C)Cc1ccccc1)C(=O)c1cnccn1	ZINC000035819623	520159232	/nfs/dbraw/zinc/15/92/32/520159232.db2.gz	NBRHMPMOTUVSGF-UHFFFAOYSA-N	1	0	425.577	3.090	50	0		IGAARO
C=C1C(NCCCN2CCC([NH+]3CCCCC3)CC2)=NS(=O)(=O)C1c1ccccc1	ZINC000020901141	520842611	/nfs/dbraw/zinc/84/26/11/520842611.db2.gz	JRNHFRYNGCADFF-UHFFFAOYSA-N	1	0	430.618	3.090	50	0		IGAARO
CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1	ZINC000012807859	521667948	/nfs/dbraw/zinc/66/79/48/521667948.db2.gz	XCSFFLLHUJGLPE-CVDCTZTESA-N	1	0	434.584	3.451	50	0		IGAARO
C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O	ZINC000012285035	521750701	/nfs/dbraw/zinc/75/07/01/521750701.db2.gz	QLQIOWBXRHLYMD-HSZRJFAPSA-N	1	0	435.499	3.002	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c(Cl)c1	ZINC000012373712	521785993	/nfs/dbraw/zinc/78/59/93/521785993.db2.gz	RTDAYNSCVLUNBT-GOSISDBHSA-N	1	0	433.980	3.191	50	0		IGAARO
COc1cc(C(=O)NCCCn2cccn2)ccc1OC1CC[NH+](C2CCCC2)CC1	ZINC000012719120	522108415	/nfs/dbraw/zinc/10/84/15/522108415.db2.gz	FVXIORKLAGPAQJ-UHFFFAOYSA-N	1	0	426.561	3.498	50	0		IGAARO
COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OC(C)C	ZINC000040744643	522450266	/nfs/dbraw/zinc/45/02/66/522450266.db2.gz	KMQYJIWVENPKHF-UHFFFAOYSA-N	1	0	430.372	3.040	50	0		IGAARO
COCc1ccc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)o1	ZINC000012454483	522972074	/nfs/dbraw/zinc/97/20/74/522972074.db2.gz	NFWITHQRSSJDRN-UHFFFAOYSA-N	1	0	449.979	3.414	50	0		IGAARO
CNC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)Cc2cccs2)CC1	ZINC000012334105	524049222	/nfs/dbraw/zinc/04/92/22/524049222.db2.gz	BZJPHPRMVVIKPI-GOSISDBHSA-N	1	0	443.613	3.175	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1	ZINC000035423384	524102701	/nfs/dbraw/zinc/10/27/01/524102701.db2.gz	LTCKJZHYBSRVLS-GOSISDBHSA-N	1	0	447.539	3.285	50	0		IGAARO
C[C@H](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1)[NH+]1CCCC1	ZINC000021860376	524192091	/nfs/dbraw/zinc/19/20/91/524192091.db2.gz	RLZZNTBIPQQDFF-LJQANCHMSA-N	1	0	443.551	3.302	50	0		IGAARO
COc1ccccc1-n1nc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2c1=O	ZINC000020804824	524308702	/nfs/dbraw/zinc/30/87/02/524308702.db2.gz	SEVSZVKNRPLLFX-KDURUIRLSA-N	1	0	448.567	3.492	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccccc2C(C)C)CC1	ZINC000023224714	524556506	/nfs/dbraw/zinc/55/65/06/524556506.db2.gz	NXGONNJSSPIVHW-NRFANRHFSA-N	1	0	428.573	3.397	50	0		IGAARO
Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)nc2n1	ZINC000012543191	524568516	/nfs/dbraw/zinc/56/85/16/524568516.db2.gz	DXGGNMTVHIHWAG-UHFFFAOYSA-N	1	0	441.539	3.316	50	0		IGAARO
COc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3nccnc32)cc1	ZINC000022735924	524720034	/nfs/dbraw/zinc/72/00/34/524720034.db2.gz	NCENZYBDUMGPSR-UHFFFAOYSA-N	1	0	427.512	3.494	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCCn2cccn2)c1	ZINC000012580488	524925561	/nfs/dbraw/zinc/92/55/61/524925561.db2.gz	SUHLEJLJLHBSAH-UHFFFAOYSA-N	1	0	426.561	3.498	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1	ZINC000022794368	525183014	/nfs/dbraw/zinc/18/30/14/525183014.db2.gz	ZBCBOVCQHCXAJC-RUZDIDTESA-N	1	0	433.552	3.332	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)N2CCOCC2)cc1	ZINC000022686685	525184699	/nfs/dbraw/zinc/18/46/99/525184699.db2.gz	IWXQIJIUTXVIJO-RUZDIDTESA-N	1	0	437.584	3.484	50	0		IGAARO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2N1C(=O)C1CC1	ZINC000020516857	525522002	/nfs/dbraw/zinc/52/20/02/525522002.db2.gz	GLKBYXSQFLWHBJ-QGZVFWFLSA-N	1	0	431.602	3.013	50	0		IGAARO
C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000012466093	525551973	/nfs/dbraw/zinc/55/19/73/525551973.db2.gz	ZKLSTLYBTHUDFT-XZDVHOLPSA-N	1	0	437.499	3.226	50	0		IGAARO
Cc1ccnc(N2CCC[C@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1	ZINC000035454298	525667335	/nfs/dbraw/zinc/66/73/35/525667335.db2.gz	GJWIEYJFHPWCRK-DEOSSOPVSA-N	1	0	435.616	3.462	50	0		IGAARO
O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CC[NH+](C2CCCCC2)CC1	ZINC000035404162	526723985	/nfs/dbraw/zinc/72/39/85/526723985.db2.gz	NUFVUZJICNMXFR-UHFFFAOYSA-N	1	0	433.600	3.438	50	0		IGAARO
O=C(NCc1cccnc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000035870015	526768179	/nfs/dbraw/zinc/76/81/79/526768179.db2.gz	AKMNKAGVPZLBCJ-ZCYQVOJMSA-N	1	0	430.527	3.400	50	0		IGAARO
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCC([NH+]2CCCCC2)CC1	ZINC000020494231	526938348	/nfs/dbraw/zinc/93/83/48/526938348.db2.gz	UMLYUMFFVGZLBK-UHFFFAOYSA-N	1	0	427.501	3.064	50	0		IGAARO
O=C(COCc1cc(-c2cccs2)on1)NCCCN1CC[NH+](C2CCCCC2)CC1	ZINC000020479896	526940051	/nfs/dbraw/zinc/94/00/51/526940051.db2.gz	WNRFLMCPSBVIPP-UHFFFAOYSA-N	1	0	446.617	3.376	50	0		IGAARO
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]CCCc1ccncc1)C2	ZINC000014535076	527543771	/nfs/dbraw/zinc/54/37/71/527543771.db2.gz	CIWXQGGLBDFPFO-QFIPXVFZSA-N	1	0	429.568	3.093	50	0		IGAARO
OC[C@H]1CCC[N@@H+](C2CCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)CC2)C1	ZINC000012574184	527615718	/nfs/dbraw/zinc/61/57/18/527615718.db2.gz	WKTYLAROLUFDNU-KRWDZBQOSA-N	1	0	438.494	3.348	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21	ZINC000009917044	536048467	/nfs/dbraw/zinc/04/84/67/536048467.db2.gz	LQSBWKNEOJUIRX-UHFFFAOYSA-N	1	0	440.569	3.159	50	0		IGAARO
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)c3n2)cc1	ZINC000000815399	555561778	/nfs/dbraw/zinc/56/17/78/555561778.db2.gz	OTTXTXCDQWKBEW-HNNXBMFYSA-N	1	0	427.455	3.263	50	0		IGAARO
Cc1cc([C@@H]2CC[C@H](C(=O)NCC[NH+](C)C)CN2C(=O)NCc2ccccc2)ccc1F	ZINC000034716050	555865376	/nfs/dbraw/zinc/86/53/76/555865376.db2.gz	AVYHGRKFDBLTID-GMAHTHKFSA-N	1	0	440.563	3.475	50	0		IGAARO
O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000002778102	556141038	/nfs/dbraw/zinc/14/10/38/556141038.db2.gz	IGKMBQXHNGXJPK-OAHLLOKOSA-N	1	0	433.409	3.474	50	0		IGAARO
CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cccs2)cnc1N1CC[NH2+]CC1	ZINC000065025390	556302155	/nfs/dbraw/zinc/30/21/55/556302155.db2.gz	CHIWLRHBFJWGBR-UHFFFAOYSA-N	1	0	435.553	3.077	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)[NH+]1CCCC1	ZINC000032736350	556306188	/nfs/dbraw/zinc/30/61/88/556306188.db2.gz	WSZNTHWBNKZDCJ-IBGZPJMESA-N	1	0	425.554	3.087	50	0		IGAARO
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1	ZINC000032744830	556308492	/nfs/dbraw/zinc/30/84/92/556308492.db2.gz	PPTQSNQGOVADTL-HSZRJFAPSA-N	1	0	443.613	3.210	50	0		IGAARO
COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2	ZINC000011783123	556351446	/nfs/dbraw/zinc/35/14/46/556351446.db2.gz	XBYVXOOZYCDXFS-GOSISDBHSA-N	1	0	445.567	3.121	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1cccs1	ZINC000032795393	556357808	/nfs/dbraw/zinc/35/78/08/556357808.db2.gz	MFBUVQDTTXKTGI-CJNGLKHVSA-N	1	0	436.375	3.283	50	0		IGAARO
Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n(C)n1	ZINC000011842588	556365959	/nfs/dbraw/zinc/36/59/59/556365959.db2.gz	KVGKHIGFJNKGOC-NRFANRHFSA-N	1	0	428.552	3.401	50	0		IGAARO
C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1	ZINC000011882195	556373723	/nfs/dbraw/zinc/37/37/23/556373723.db2.gz	FJGYBDOILMIRHI-DHUDHEQZSA-N	1	0	445.567	3.496	50	0		IGAARO
COc1ccc([C@H](CNC(=O)N2CCN(Cc3ccsc3)CC2)[NH+]2CCCC2)cc1	ZINC000014165287	556379451	/nfs/dbraw/zinc/37/94/51/556379451.db2.gz	OHXPWDYJCQZZMM-QFIPXVFZSA-N	1	0	428.602	3.421	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Cc1ccccc1	ZINC000014188581	556386983	/nfs/dbraw/zinc/38/69/83/556386983.db2.gz	MOHBMMOOAPTRFM-QFIPXVFZSA-N	1	0	441.531	3.386	50	0		IGAARO
COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1	ZINC000012053232	556393210	/nfs/dbraw/zinc/39/32/10/556393210.db2.gz	SNIAQUAQEBXCPO-GOSISDBHSA-N	1	0	449.555	3.153	50	0		IGAARO
CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)c2)CC1	ZINC000012056913	556394498	/nfs/dbraw/zinc/39/44/98/556394498.db2.gz	WZWBSTOVTNVCGO-SFHVURJKSA-N	1	0	427.589	3.317	50	0		IGAARO
Cc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc(C)c1OCc1cccnc1	ZINC000032638208	556411997	/nfs/dbraw/zinc/41/19/97/556411997.db2.gz	SVFCEDTYOQAPIJ-UHFFFAOYSA-N	1	0	432.524	3.439	50	0		IGAARO
O=C(Nc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1)c1ccco1	ZINC000032831086	556417128	/nfs/dbraw/zinc/41/71/28/556417128.db2.gz	UKLMGYNQURTRKX-UHFFFAOYSA-N	1	0	432.524	3.474	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733529	556437749	/nfs/dbraw/zinc/43/77/49/556437749.db2.gz	YBPCPQRFHPZDSR-HNNXBMFYSA-N	1	0	438.519	3.275	50	0		IGAARO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2	ZINC000014741474	556438799	/nfs/dbraw/zinc/43/87/99/556438799.db2.gz	XSTCASADWYAXJS-UHFFFAOYSA-N	1	0	448.567	3.268	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1	ZINC000013031458	556442595	/nfs/dbraw/zinc/44/25/95/556442595.db2.gz	KBYOCNKQZZDTPZ-OAHLLOKOSA-N	1	0	437.512	3.429	50	0		IGAARO
Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F	ZINC000014754243	556444696	/nfs/dbraw/zinc/44/46/96/556444696.db2.gz	BHBQALHJMBZNIV-LJQANCHMSA-N	1	0	428.552	3.106	50	0		IGAARO
CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)C1=O	ZINC000014754527	556444729	/nfs/dbraw/zinc/44/47/29/556444729.db2.gz	YZEDJYRMKQOMKR-UHFFFAOYSA-N	1	0	449.551	3.335	50	0		IGAARO
Cc1cc(N2CC[NH+](CCC(=O)Nc3ccnn3C3CCCC3)CC2)nc(C(C)C)n1	ZINC000028891439	556463179	/nfs/dbraw/zinc/46/31/79/556463179.db2.gz	RYRZUFHVZGSRAQ-UHFFFAOYSA-N	1	0	425.581	3.371	50	0		IGAARO
Cc1ccc(-n2cccn2)c(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1	ZINC000014980533	556470619	/nfs/dbraw/zinc/47/06/19/556470619.db2.gz	SWGSMZOKDGPUKJ-LJQANCHMSA-N	1	0	434.544	3.189	50	0		IGAARO
COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](CC(c1ccccc1)c1ccccc1)CC2	ZINC000014981184	556470915	/nfs/dbraw/zinc/47/09/15/556470915.db2.gz	RYFCYEXBTLYEGU-HXUWFJFHSA-N	1	0	447.583	3.182	50	0		IGAARO
O=CN1CCC[N@@H+]([C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1	ZINC000014981908	556471314	/nfs/dbraw/zinc/47/13/14/556471314.db2.gz	YSSUDJJNWTXJMD-SFHVURJKSA-N	1	0	428.602	3.060	50	0		IGAARO
COC(=O)c1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc(NC(=O)c2ccccc2Cl)c1	ZINC000014999983	556479457	/nfs/dbraw/zinc/47/94/57/556479457.db2.gz	KLLDJTZSRKTGOC-HXUWFJFHSA-N	1	0	443.931	3.479	50	0		IGAARO
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1	ZINC000013164980	556497720	/nfs/dbraw/zinc/49/77/20/556497720.db2.gz	RVRGHGVPQQKBSA-HXUWFJFHSA-N	1	0	432.590	3.066	50	0		IGAARO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1	ZINC000030666175	556501448	/nfs/dbraw/zinc/50/14/48/556501448.db2.gz	CIEOTPQTBMHXQR-REWPJTCUSA-N	1	0	432.996	3.029	50	0		IGAARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1	ZINC000015610110	556537916	/nfs/dbraw/zinc/53/79/16/556537916.db2.gz	SHFOTNJQVPWGHP-UHFFFAOYSA-N	1	0	426.948	3.400	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1	ZINC000020415001	556556371	/nfs/dbraw/zinc/55/63/71/556556371.db2.gz	ALWONZDZVDRHDH-UHFFFAOYSA-N	1	0	429.634	3.290	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(Cl)c1	ZINC000032916459	556615259	/nfs/dbraw/zinc/61/52/59/556615259.db2.gz	UQQJMLNREOANAK-UHFFFAOYSA-N	1	0	442.025	3.041	50	0		IGAARO
Cc1cccc(N2CCC([NH+]3CCC(n4nccc4NC(=O)[C@H]4CCOC4)CC3)CC2)c1	ZINC000039454938	556629104	/nfs/dbraw/zinc/62/91/04/556629104.db2.gz	FDZKRSYWILXDCJ-FQEVSTJZSA-N	1	0	437.588	3.472	50	0		IGAARO
COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000016751583	556637476	/nfs/dbraw/zinc/63/74/76/556637476.db2.gz	FOQSLXUODOMUBF-HXUWFJFHSA-N	1	0	426.444	3.143	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000409414607	556640076	/nfs/dbraw/zinc/64/00/76/556640076.db2.gz	NIIYAGOWCIKFTN-KSEOMHKRSA-N	1	0	440.588	3.396	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1	ZINC000005144112	556642223	/nfs/dbraw/zinc/64/22/23/556642223.db2.gz	ZZSNGKLXGMULLX-IBGZPJMESA-N	1	0	430.622	3.316	50	0		IGAARO
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)C1	ZINC000005144155	556642270	/nfs/dbraw/zinc/64/22/70/556642270.db2.gz	KFADAJRYAZAAGO-ROUUACIJSA-N	1	0	430.622	3.029	50	0		IGAARO
COc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1ccccc1C	ZINC000040720754	556646894	/nfs/dbraw/zinc/64/68/94/556646894.db2.gz	XXHUUKYBILUIIB-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC2	ZINC000247937438	556648456	/nfs/dbraw/zinc/64/84/56/556648456.db2.gz	HFSJYKGSYCVNDM-YZZKKUAISA-N	1	0	433.570	3.269	50	0		IGAARO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000248044905	556658438	/nfs/dbraw/zinc/65/84/38/556658438.db2.gz	WGDYMXAVYKISAG-AVRDEDQJSA-N	1	0	447.539	3.395	50	0		IGAARO
O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCCCC1	ZINC000033011654	556659591	/nfs/dbraw/zinc/65/95/91/556659591.db2.gz	BKMVOWYPNUJVAS-UHFFFAOYSA-N	1	0	437.566	3.014	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000136641404	556690762	/nfs/dbraw/zinc/69/07/62/556690762.db2.gz	WFDQUOKRUGEQJS-MSZDEVHKSA-N	1	0	429.520	3.149	50	0		IGAARO
COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4[nH]cnc4C)CC3)C2=O)cc1	ZINC000019112940	556699977	/nfs/dbraw/zinc/69/99/77/556699977.db2.gz	DCQKVQXPBUACAP-UHFFFAOYSA-N	1	0	439.560	3.182	50	0		IGAARO
Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[NH+]2CCCC2)o1	ZINC000060354798	556731041	/nfs/dbraw/zinc/73/10/41/556731041.db2.gz	HPEOSUOAJKIJDM-KRWDZBQOSA-N	1	0	425.938	3.180	50	0		IGAARO
CC[N@@H+]1CC[C@H](CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)C1	ZINC000019301044	556735372	/nfs/dbraw/zinc/73/53/72/556735372.db2.gz	YDIKQEIDVUYZPY-OAQYLSRUSA-N	1	0	432.634	3.082	50	0		IGAARO
Cc1cc(C)n(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1	ZINC000055269644	556739438	/nfs/dbraw/zinc/73/94/38/556739438.db2.gz	IVDDMCHKJPCWFT-OAQYLSRUSA-N	1	0	449.521	3.332	50	0		IGAARO
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3([NH+](C)C)CCCC3)c2)cc1	ZINC000058014654	556753704	/nfs/dbraw/zinc/75/37/04/556753704.db2.gz	VDAJZZFKIDLIBG-UHFFFAOYSA-N	1	0	445.585	3.490	50	0		IGAARO
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000058210531	556772352	/nfs/dbraw/zinc/77/23/52/556772352.db2.gz	IMWTWVDJJVPIFH-QGZVFWFLSA-N	1	0	440.997	3.217	50	0		IGAARO
CCC(CC)[C@H](CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[NH+]1CCCC1	ZINC000058224764	556773591	/nfs/dbraw/zinc/77/35/91/556773591.db2.gz	DAVFZCRMGALGPP-FQEVSTJZSA-N	1	0	436.000	3.298	50	0		IGAARO
COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](COCc3ccccc3)C2)cc1OC	ZINC000062161799	556797891	/nfs/dbraw/zinc/79/78/91/556797891.db2.gz	CWRUCXPZVJHWHY-QFIPXVFZSA-N	1	0	426.557	3.291	50	0		IGAARO
O=C(c1nc2ccccn2c1CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)N1CCCC1	ZINC000019595133	556830512	/nfs/dbraw/zinc/83/05/12/556830512.db2.gz	RJDBSPUPBVHURU-HSZRJFAPSA-N	1	0	443.595	3.245	50	0		IGAARO
CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)n1	ZINC000065362975	556834820	/nfs/dbraw/zinc/83/48/20/556834820.db2.gz	JOXFDLPQPXMGAI-UHFFFAOYSA-N	1	0	434.928	3.242	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc(N2CCOCC2)c2ccccc12	ZINC000033073047	556852532	/nfs/dbraw/zinc/85/25/32/556852532.db2.gz	HCKJQJHWKPSBSN-UHFFFAOYSA-N	1	0	430.552	3.466	50	0		IGAARO
CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC[NH+]3CCCCCC3)c(C)o2)cc1	ZINC000004668480	556861732	/nfs/dbraw/zinc/86/17/32/556861732.db2.gz	QZDNACUTXRZZHL-PMERELPUSA-N	1	0	431.602	3.453	50	0		IGAARO
CC(C)Cc1cc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1	ZINC000019792356	556915657	/nfs/dbraw/zinc/91/56/57/556915657.db2.gz	VPNXLFMCKWHLDM-HSZRJFAPSA-N	1	0	439.604	3.119	50	0		IGAARO
COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CC[NH+](C)CC3)no2)cc1	ZINC000019796750	556916272	/nfs/dbraw/zinc/91/62/72/556916272.db2.gz	IUGBUWYBQQXACL-HSZRJFAPSA-N	1	0	434.540	3.377	50	0		IGAARO
C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(I)cc3)c2)CC1	ZINC000048303494	557058656	/nfs/dbraw/zinc/05/86/56/557058656.db2.gz	XVOJNIXRYFMIQG-UHFFFAOYSA-N	1	0	435.309	3.291	50	0		IGAARO
CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cc1CO	ZINC000023153455	557069865	/nfs/dbraw/zinc/06/98/65/557069865.db2.gz	POMYCZMADNMCIQ-DEOSSOPVSA-N	1	0	442.600	3.272	50	0		IGAARO
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1	ZINC000033298014	557073816	/nfs/dbraw/zinc/07/38/16/557073816.db2.gz	RKXGSLPRJONBQF-UHFFFAOYSA-N	1	0	437.569	3.033	50	0		IGAARO
C[C@H](NC(=O)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccc(F)cc1	ZINC000048374979	557076320	/nfs/dbraw/zinc/07/63/20/557076320.db2.gz	QGIUQUISJUAZRQ-KRWDZBQOSA-N	1	0	429.511	3.213	50	0		IGAARO
CC(=O)N1CC[NH+](C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1	ZINC000023339960	557086062	/nfs/dbraw/zinc/08/60/62/557086062.db2.gz	IDKCVCJOQSBNKL-FQEVSTJZSA-N	1	0	434.584	3.311	50	0		IGAARO
COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cc1	ZINC000023358784	557087652	/nfs/dbraw/zinc/08/76/52/557087652.db2.gz	TWTIZBOGIIXAHY-QHCPKHFHSA-N	1	0	426.557	3.167	50	0		IGAARO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)cc1	ZINC000023473059	557093647	/nfs/dbraw/zinc/09/36/47/557093647.db2.gz	KLNIBMORVHDJGX-FQEVSTJZSA-N	1	0	439.478	3.142	50	0		IGAARO
c1cc(N2CCSCC2)ncc1-c1noc(CN2CC[NH+](C3CCCCC3)CC2)n1	ZINC000049409732	557104961	/nfs/dbraw/zinc/10/49/61/557104961.db2.gz	VEMKEWKCIMCAII-UHFFFAOYSA-N	1	0	428.606	3.135	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409415051	557110056	/nfs/dbraw/zinc/11/00/56/557110056.db2.gz	SAHUXLQJUMGPKJ-SIKLNZKXSA-N	1	0	440.588	3.398	50	0		IGAARO
COc1ccc(CN2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1F	ZINC000023762272	557114903	/nfs/dbraw/zinc/11/49/03/557114903.db2.gz	JQSPVYONVKAFOF-NRFANRHFSA-N	1	0	444.551	3.482	50	0		IGAARO
O=C1c2ccccc2/C(=C/NCCC[NH+]2CCOCC2)C(=O)N1c1ccc(Cl)cc1	ZINC000100903610	557199567	/nfs/dbraw/zinc/19/95/67/557199567.db2.gz	BKNIHOATAQTPAM-PGMHBOJBSA-N	1	0	425.916	3.180	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000100903625	557199709	/nfs/dbraw/zinc/19/97/09/557199709.db2.gz	JCXABLFQZDFOLD-TYYMKKSVSA-N	1	0	435.524	3.306	50	0		IGAARO
O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1ccccc1CN1CCOCC1	ZINC000018213924	557252586	/nfs/dbraw/zinc/25/25/86/557252586.db2.gz	DUZMHFQBIODZSY-UHFFFAOYSA-N	1	0	432.446	3.204	50	0		IGAARO
O=c1occ(C[NH+]2CCN(c3ccc(F)cc3)CC2)c([O-])c1C[N@@H+]1CCc2ccccc2C1	ZINC000101410154	557283965	/nfs/dbraw/zinc/28/39/65/557283965.db2.gz	UTGZFTGQRZQGHF-UHFFFAOYSA-N	1	0	449.526	3.365	50	0		IGAARO
O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(C(F)(F)F)cc1	ZINC000011697893	557394932	/nfs/dbraw/zinc/39/49/32/557394932.db2.gz	UNFHJIWEABDNOK-UHFFFAOYSA-N	1	0	438.435	3.024	50	0		IGAARO
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)[nH]n1	ZINC000257198966	557395333	/nfs/dbraw/zinc/39/53/33/557395333.db2.gz	NNOIQBMRUQNVGM-JDKSZYQJSA-N	1	0	434.588	3.462	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000105050420	557473845	/nfs/dbraw/zinc/47/38/45/557473845.db2.gz	RTXOTWVFTCYHRU-NZQKXSOJSA-N	1	0	432.536	3.373	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C	ZINC000105061269	557475602	/nfs/dbraw/zinc/47/56/02/557475602.db2.gz	JPBSWCCJEULJAV-UUOWRZLLSA-N	1	0	425.598	3.473	50	0		IGAARO
COc1cc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc(OC)c1	ZINC000108150174	557541356	/nfs/dbraw/zinc/54/13/56/557541356.db2.gz	ZTCXLEZISGSPGZ-GMAHTHKFSA-N	1	0	432.948	3.478	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1	ZINC000040096780	557690770	/nfs/dbraw/zinc/69/07/70/557690770.db2.gz	QZIWKEYDZSDTKB-GOSISDBHSA-N	1	0	436.603	3.347	50	0		IGAARO
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1	ZINC000225413779	557720022	/nfs/dbraw/zinc/72/00/22/557720022.db2.gz	OPKMJZVMMJJLOR-QFBILLFUSA-N	1	0	443.585	3.071	50	0		IGAARO
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000225609397	557751032	/nfs/dbraw/zinc/75/10/32/557751032.db2.gz	YNZASQNWTMXSMT-QGZVFWFLSA-N	1	0	435.572	3.144	50	0		IGAARO
O=C(NCCN1CCOCC1)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1	ZINC000239782400	557845030	/nfs/dbraw/zinc/84/50/30/557845030.db2.gz	COESLXCYTFKJHU-LGPLSSKUSA-N	1	0	448.611	3.071	50	0		IGAARO
CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000020136218	563023775	/nfs/dbraw/zinc/02/37/75/563023775.db2.gz	IHNDTLAEFDIONE-UHFFFAOYSA-N	1	0	425.577	3.272	50	0		IGAARO
COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC	ZINC000023373041	568613323	/nfs/dbraw/zinc/61/33/23/568613323.db2.gz	IEUALMVDNSCIPW-OAQYLSRUSA-N	1	0	425.573	3.499	50	0		IGAARO
Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)c1	ZINC000247960369	568632639	/nfs/dbraw/zinc/63/26/39/568632639.db2.gz	DHOAROGJPMZZHJ-NRFANRHFSA-N	1	0	431.584	3.443	50	0		IGAARO
CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1	ZINC000248156304	568633818	/nfs/dbraw/zinc/63/38/18/568633818.db2.gz	VTVFSLGSHRFIAC-IBGZPJMESA-N	1	0	435.547	3.151	50	0		IGAARO
CC[N@H+](CCN(C)C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c32)C1	ZINC000299784279	568757326	/nfs/dbraw/zinc/75/73/26/568757326.db2.gz	JHFMCYOYGMZZDU-SFHVURJKSA-N	1	0	440.613	3.256	50	0		IGAARO
CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2	ZINC000084456326	568798165	/nfs/dbraw/zinc/79/81/65/568798165.db2.gz	RSQXAORWXFWUKL-CLOONOSVSA-N	1	0	440.588	3.349	50	0		IGAARO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1C[C@H](OCC)C12CCCCC2	ZINC000084750355	568801119	/nfs/dbraw/zinc/80/11/19/568801119.db2.gz	JXKHJAIEPFCSNA-UXHICEINSA-N	1	0	437.606	3.112	50	0		IGAARO
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccc2c1SCCC2=O	ZINC000015821255	568839850	/nfs/dbraw/zinc/83/98/50/568839850.db2.gz	KEWSYDNONLVJIG-UHFFFAOYSA-N	1	0	427.545	3.446	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001780	568862295	/nfs/dbraw/zinc/86/22/95/568862295.db2.gz	WPXPQJKMACCQPD-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
CCn1c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000239310314	568911251	/nfs/dbraw/zinc/91/12/51/568911251.db2.gz	IIQAPTLAXKIVSR-MOPGFXCFSA-N	1	0	446.617	3.089	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245242249	568913314	/nfs/dbraw/zinc/91/33/14/568913314.db2.gz	QPDLJKCBOLPAIZ-KCOOYEKVSA-N	1	0	435.911	3.334	50	0		IGAARO
C[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1	ZINC000245328674	568915075	/nfs/dbraw/zinc/91/50/75/568915075.db2.gz	WHHQPCWENOZRQK-GCJKJVERSA-N	1	0	442.878	3.265	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12	ZINC000245329091	568915265	/nfs/dbraw/zinc/91/52/65/568915265.db2.gz	XNGIQKMHLZKXQB-CQAGSAPUSA-N	1	0	425.488	3.421	50	0		IGAARO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000247827813	568918595	/nfs/dbraw/zinc/91/85/95/568918595.db2.gz	JTUKBNQXECTJOR-YDSTWLSQSA-N	1	0	439.874	3.219	50	0		IGAARO
Cc1cccc(-c2nc3sc(N(C)CC(=O)NCC[NH+](C)C)nn3c2NC(C)(C)C)c1	ZINC000064703633	568944435	/nfs/dbraw/zinc/94/44/35/568944435.db2.gz	XSYHVEVYCBQITM-UHFFFAOYSA-N	1	0	443.621	3.091	50	0		IGAARO
COc1cc(-c2noc([C@@H]([NH2+]C[C@H](O)COCC(C)C)C(C)C)n2)cc(OC)c1OC	ZINC000036160556	568967344	/nfs/dbraw/zinc/96/73/44/568967344.db2.gz	HBBWLOWJFIBYLK-LPHOPBHVSA-N	1	0	437.537	3.083	50	0		IGAARO
Cc1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c(C)c1	ZINC000064836097	568969062	/nfs/dbraw/zinc/96/90/62/568969062.db2.gz	GOSPBFUCXLLUGV-UHFFFAOYSA-N	1	0	441.535	3.460	50	0		IGAARO
Cn1c2c(C(=O)NC3CCCCCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064836070	568969149	/nfs/dbraw/zinc/96/91/49/568969149.db2.gz	GLBMRZYBKQWPTO-UHFFFAOYSA-N	1	0	433.556	3.044	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](C)O	ZINC000036309133	568995944	/nfs/dbraw/zinc/99/59/44/568995944.db2.gz	YTPLKSFBDOCQGF-DENIHFKCSA-N	1	0	446.613	3.281	50	0		IGAARO
CC1(C)CC(=O)c2cnc3c(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)cnn3c2C1	ZINC000064987484	569082419	/nfs/dbraw/zinc/08/24/19/569082419.db2.gz	HSNFZWBFYICZEH-UHFFFAOYSA-N	1	0	431.540	3.063	50	0		IGAARO
Cc1ccccc1C(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N(C)Cc2ccccc2)c1	ZINC000065025359	569090583	/nfs/dbraw/zinc/09/05/83/569090583.db2.gz	AJKKAXOXSWTFBC-UHFFFAOYSA-N	1	0	443.551	3.324	50	0		IGAARO
C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000036394355	569098859	/nfs/dbraw/zinc/09/88/59/569098859.db2.gz	LLIRIZDBEXDFMU-JXFKEZNVSA-N	1	0	444.373	3.348	50	0		IGAARO
O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)N1CCC[C@@H](C[NH+]2CCCC2)C1	ZINC000169786560	569105724	/nfs/dbraw/zinc/10/57/24/569105724.db2.gz	GXJPCBLXRPHJMO-SFTDATJTSA-N	1	0	440.636	3.382	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1F)C[N@H+](Cc1ccccc1)CC2	ZINC000065153542	569112072	/nfs/dbraw/zinc/11/20/72/569112072.db2.gz	YHKSSCKRMRKEOX-UHFFFAOYSA-N	1	0	438.478	3.281	50	0		IGAARO
Cc1noc(-c2ccc(-n3ncc(C(=O)N4CC[NH+](C5CCCCC5)CC4)c3C)nc2)n1	ZINC000065251419	569122352	/nfs/dbraw/zinc/12/23/52/569122352.db2.gz	BOSYKGLCTGRGNB-UHFFFAOYSA-N	1	0	435.532	3.025	50	0		IGAARO
Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1	ZINC000065255849	569122991	/nfs/dbraw/zinc/12/29/91/569122991.db2.gz	DYBWHWXWMWSQBA-XMMPIXPASA-N	1	0	446.599	3.288	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCN1Cc2ccccc2C1=O	ZINC000524731229	569126430	/nfs/dbraw/zinc/12/64/30/569126430.db2.gz	OVAMSDUZARZICI-JTHBVZDNSA-N	1	0	427.589	3.162	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cn1	ZINC000065265689	569127069	/nfs/dbraw/zinc/12/70/69/569127069.db2.gz	MMDQIGMCSSJPMO-RUZDIDTESA-N	1	0	442.523	3.406	50	0		IGAARO
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170601566	569142952	/nfs/dbraw/zinc/14/29/52/569142952.db2.gz	JZMPUYMAOIIEAE-SFTDATJTSA-N	1	0	436.641	3.042	50	0		IGAARO
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)c1	ZINC000014528370	569159384	/nfs/dbraw/zinc/15/93/84/569159384.db2.gz	CZZWMGGKTZYSCI-UHFFFAOYSA-N	1	0	427.570	3.461	50	0		IGAARO
COCc1c(Br)cccc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000089895932	569166798	/nfs/dbraw/zinc/16/67/98/569166798.db2.gz	APQSCECAGQIWMU-CQSZACIVSA-N	1	0	428.371	3.152	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c(C)c1	ZINC000016994179	569169790	/nfs/dbraw/zinc/16/97/90/569169790.db2.gz	ZOMBWFDMSSXHBD-UHFFFAOYSA-N	1	0	443.617	3.211	50	0		IGAARO
C[NH+](C)CCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1	ZINC000037426445	569195635	/nfs/dbraw/zinc/19/56/35/569195635.db2.gz	OLVPOWPBCPFMGL-UHFFFAOYSA-N	1	0	441.557	3.190	50	0		IGAARO
CC(C)C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1	ZINC000037525401	569198961	/nfs/dbraw/zinc/19/89/61/569198961.db2.gz	WPBZJZSQRVAAPS-UHFFFAOYSA-N	1	0	426.605	3.128	50	0		IGAARO
O=C(c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1)N1CCN(c2ccccc2)CC1	ZINC000065256315	569263326	/nfs/dbraw/zinc/26/33/26/569263326.db2.gz	OLTSYTAOXUOSRP-DEOSSOPVSA-N	1	0	427.552	3.195	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000078680209	569317555	/nfs/dbraw/zinc/31/75/55/569317555.db2.gz	AYUOEIRTMIBWEN-OAQYLSRUSA-N	1	0	435.524	3.257	50	0		IGAARO
O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1	ZINC000078947466	569320430	/nfs/dbraw/zinc/32/04/30/569320430.db2.gz	MZOGEEQUTUSYCH-UHFFFAOYSA-N	1	0	426.542	3.369	50	0		IGAARO
C[NH+]1CCN(CCc2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)c2)CC1	ZINC000095457789	569369044	/nfs/dbraw/zinc/36/90/44/569369044.db2.gz	CIVAFOZAKMPUCI-FQEVSTJZSA-N	1	0	440.613	3.029	50	0		IGAARO
C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000096013622	569380342	/nfs/dbraw/zinc/38/03/42/569380342.db2.gz	HJXNYLHTTCDXPX-DFQSSKMNSA-N	1	0	433.549	3.012	50	0		IGAARO
CC(=O)N1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3c2C1	ZINC000096363719	569397677	/nfs/dbraw/zinc/39/76/77/569397677.db2.gz	NLGXVCLKGVDORV-UHFFFAOYSA-N	1	0	430.552	3.467	50	0		IGAARO
O=C(CNC(=O)c1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000057336108	569431310	/nfs/dbraw/zinc/43/13/10/569431310.db2.gz	OYLBDVRAJGZDAF-UHFFFAOYSA-N	1	0	428.536	3.377	50	0		IGAARO
COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000057381163	569432898	/nfs/dbraw/zinc/43/28/98/569432898.db2.gz	STZIYFSQSHWUJY-KBPBESRZSA-N	1	0	439.965	3.277	50	0		IGAARO
COc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)cc1OC	ZINC000503922514	569441568	/nfs/dbraw/zinc/44/15/68/569441568.db2.gz	WONADYUPQGLGDE-ROUUACIJSA-N	1	0	428.533	3.067	50	0		IGAARO
NC(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000031955932	569458509	/nfs/dbraw/zinc/45/85/09/569458509.db2.gz	URHUXVGOWDYBIH-UHFFFAOYSA-N	1	0	428.536	3.038	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)c1ccccc1Cl	ZINC000032317663	569461233	/nfs/dbraw/zinc/46/12/33/569461233.db2.gz	QASAWXLNNYKJEB-GOSISDBHSA-N	1	0	428.924	3.143	50	0		IGAARO
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1	ZINC000670467090	569462298	/nfs/dbraw/zinc/46/22/98/569462298.db2.gz	OLTYRHNZBNLRQZ-OAHLLOKOSA-N	1	0	427.854	3.126	50	0		IGAARO
O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000008591326	569469251	/nfs/dbraw/zinc/46/92/51/569469251.db2.gz	ZTGOMUHNMWLRAA-UHFFFAOYSA-N	1	0	447.514	3.045	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000008876207	569481063	/nfs/dbraw/zinc/48/10/63/569481063.db2.gz	XRIBIFLLYHAMCH-TVPLGVNVSA-N	1	0	442.025	3.025	50	0		IGAARO
Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1	ZINC000039969263	569482148	/nfs/dbraw/zinc/48/21/48/569482148.db2.gz	TYNLEUMXXPEEOS-IBGZPJMESA-N	1	0	426.590	3.325	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1OC	ZINC000008893595	569483569	/nfs/dbraw/zinc/48/35/69/569483569.db2.gz	IWOMZFVAXYUPJP-GOSISDBHSA-N	1	0	431.558	3.437	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000008917832	569486110	/nfs/dbraw/zinc/48/61/10/569486110.db2.gz	MWPMSHAXOHRZSG-ZKNOEPHOSA-N	1	0	439.596	3.341	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)cc2)CC1	ZINC000040130752	569490286	/nfs/dbraw/zinc/49/02/86/569490286.db2.gz	DXBBMZOJKJOFIP-KRWDZBQOSA-N	1	0	428.968	3.127	50	0		IGAARO
Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCC[NH+]5CCCC5)CC4)sc3n2)cc1	ZINC000009117321	569503115	/nfs/dbraw/zinc/50/31/15/569503115.db2.gz	YJSYJKSNWXGIDL-UHFFFAOYSA-N	1	0	438.601	3.195	50	0		IGAARO
CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+](CC)Cc3ccccc3)c(=O)c21	ZINC000009153462	569508084	/nfs/dbraw/zinc/50/80/84/569508084.db2.gz	WTXDYHJCBLEPLA-UHFFFAOYSA-N	1	0	445.567	3.400	50	0		IGAARO
CC[C@@H](C)[N@H+](CCCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccco1	ZINC000009211339	569511790	/nfs/dbraw/zinc/51/17/90/569511790.db2.gz	SJHZLVJHVNYDMI-QGZVFWFLSA-N	1	0	435.528	3.278	50	0		IGAARO
O=C(C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1)N1CCCCCC1	ZINC000009257625	569516883	/nfs/dbraw/zinc/51/68/83/569516883.db2.gz	RICLWQNQWRBFQO-UHFFFAOYSA-N	1	0	447.377	3.072	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009320501	569522570	/nfs/dbraw/zinc/52/25/70/569522570.db2.gz	XRGXUDGPDOIAIG-MTXNFPGFSA-N	1	0	435.911	3.388	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000009377026	569527405	/nfs/dbraw/zinc/52/74/05/569527405.db2.gz	FBRSZRPDOJSIBO-UHFFFAOYSA-N	1	0	441.597	3.305	50	0		IGAARO
Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1Cl	ZINC000009745713	569565622	/nfs/dbraw/zinc/56/56/22/569565622.db2.gz	VDSFPVQSSJGZEM-UHFFFAOYSA-N	1	0	434.993	3.376	50	0		IGAARO
C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccccc3C(F)(F)F)nc1=O)CCC2	ZINC000009745279	569565657	/nfs/dbraw/zinc/56/56/57/569565657.db2.gz	QMCSJTJMKKCIOV-UHFFFAOYSA-N	1	0	440.491	3.043	50	0		IGAARO
Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1	ZINC000009849592	569571283	/nfs/dbraw/zinc/57/12/83/569571283.db2.gz	GWLYGENRNYVSLQ-DEOSSOPVSA-N	1	0	449.526	3.310	50	0		IGAARO
CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1	ZINC000009951364	569574521	/nfs/dbraw/zinc/57/45/21/569574521.db2.gz	YGARXTAUFDBDTL-QHCPKHFHSA-N	1	0	447.601	3.433	50	0		IGAARO
C[NH+](C)CCNC(=O)c1cccc(Cn2ccs/c2=N\C(=O)c2cccc(Cl)c2)c1	ZINC000037437695	569588064	/nfs/dbraw/zinc/58/80/64/569588064.db2.gz	QUQDQYOGGHRRPO-LVWGJNHUSA-N	1	0	442.972	3.284	50	0		IGAARO
CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21	ZINC000010456846	132246652	/nfs/dbraw/zinc/24/66/52/132246652.db2.gz	CXQMISAXYKIVPT-UHFFFAOYSA-N	1	0	441.597	3.315	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(N2CCCC2=O)c1	ZINC000004056727	132269040	/nfs/dbraw/zinc/26/90/40/132269040.db2.gz	IEQRIIRTELERHD-UHFFFAOYSA-N	1	0	440.975	3.409	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Br)o2)CC1	ZINC000009907982	132331470	/nfs/dbraw/zinc/33/14/70/132331470.db2.gz	XVNIXCBIBBNGHR-UHFFFAOYSA-N	1	0	436.306	3.223	50	0		IGAARO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccc(OC)cc2)c1	ZINC000009908036	132331649	/nfs/dbraw/zinc/33/16/49/132331649.db2.gz	KSPIUCJJNODKOF-UHFFFAOYSA-N	1	0	441.528	3.031	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c(C)c1	ZINC000011698019	132339268	/nfs/dbraw/zinc/33/92/68/132339268.db2.gz	ZCIVEYRNIAUAHW-UHFFFAOYSA-N	1	0	438.557	3.051	50	0		IGAARO
CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12	ZINC000020611693	519419631	/nfs/dbraw/zinc/41/96/31/519419631.db2.gz	KOJMTCSPNDBQIP-MTXNFPGFSA-N	1	0	437.927	3.307	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1	ZINC000020514672	519857884	/nfs/dbraw/zinc/85/78/84/519857884.db2.gz	AQFMJXZFDIEBRC-PMERELPUSA-N	1	0	431.602	3.043	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1	ZINC000020514676	519858156	/nfs/dbraw/zinc/85/81/56/519858156.db2.gz	AQFMJXZFDIEBRC-SSEXGKCCSA-N	1	0	431.602	3.043	50	0		IGAARO
CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C	ZINC000015008899	520638605	/nfs/dbraw/zinc/63/86/05/520638605.db2.gz	PODQDVTXXQKHMJ-UHFFFAOYSA-N	1	0	448.571	3.159	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)C1	ZINC000014986460	520845415	/nfs/dbraw/zinc/84/54/15/520845415.db2.gz	HOXGGQCBXKOAPO-GOSISDBHSA-N	1	0	434.544	3.203	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1	ZINC000012207542	520923081	/nfs/dbraw/zinc/92/30/81/520923081.db2.gz	GMZYXABNOGFIPB-NRFANRHFSA-N	1	0	425.533	3.286	50	0		IGAARO
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]CCC(C)C)c1	ZINC000014361517	521498920	/nfs/dbraw/zinc/49/89/20/521498920.db2.gz	KHIFRBCOGCNZHW-UHFFFAOYSA-N	1	0	433.574	3.485	50	0		IGAARO
CCC(CC)C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1cccc(SC)c1	ZINC000012282786	521525951	/nfs/dbraw/zinc/52/59/51/521525951.db2.gz	SCGJDPDEXUMQDF-XLIONFOSSA-N	1	0	445.589	3.477	50	0		IGAARO
CCOC(=O)c1noc2ncnc(NCCC[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c12	ZINC000035538558	521608546	/nfs/dbraw/zinc/60/85/46/521608546.db2.gz	ZEZZFTHMDIIDOQ-QGZVFWFLSA-N	1	0	438.532	3.116	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1	ZINC000020465944	521682019	/nfs/dbraw/zinc/68/20/19/521682019.db2.gz	ATXOETNDBFVWNO-UHFFFAOYSA-N	1	0	425.602	3.461	50	0		IGAARO
COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CC[N@H+](Cc1cccs1)CC2	ZINC000020784071	521781023	/nfs/dbraw/zinc/78/10/23/521781023.db2.gz	BLHVRIGBVOXTGC-UHFFFAOYSA-N	1	0	442.512	3.473	50	0		IGAARO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1	ZINC000021718178	521981054	/nfs/dbraw/zinc/98/10/54/521981054.db2.gz	GTJUSGQZAMSGSN-IAGOWNOFSA-N	1	0	445.560	3.482	50	0		IGAARO
Cn1cc([C@H](CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21	ZINC000021698579	522009123	/nfs/dbraw/zinc/00/91/23/522009123.db2.gz	PCHYTLPMXRPYBY-IBGZPJMESA-N	1	0	448.445	3.435	50	0		IGAARO
CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)ccc1C	ZINC000012912278	522270070	/nfs/dbraw/zinc/27/00/70/522270070.db2.gz	SUJKATAQUZYKNG-OAQYLSRUSA-N	1	0	445.585	3.468	50	0		IGAARO
COc1ccc(-c2c(C)oc3cc(OCCN4CC[NH+](C)CC4)ccc3c2=O)cc1OC	ZINC000020589978	523078232	/nfs/dbraw/zinc/07/82/32/523078232.db2.gz	SZOOPLMJRYOEFF-UHFFFAOYSA-N	1	0	438.524	3.412	50	0		IGAARO
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c2ccccc2O1	ZINC000020902400	523229710	/nfs/dbraw/zinc/22/97/10/523229710.db2.gz	PNXVOWOJPRCIMV-FQEVSTJZSA-N	1	0	428.577	3.098	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2	ZINC000020501000	523289123	/nfs/dbraw/zinc/28/91/23/523289123.db2.gz	DWVDFWHOTDAUTB-GOSISDBHSA-N	1	0	449.617	3.082	50	0		IGAARO
COCCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1	ZINC000020467820	523305393	/nfs/dbraw/zinc/30/53/93/523305393.db2.gz	BVCNAQCNQFRWRU-UHFFFAOYSA-N	1	0	436.965	3.269	50	0		IGAARO
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)c1	ZINC000012701494	523684309	/nfs/dbraw/zinc/68/43/09/523684309.db2.gz	WSSDTCKDNIQWPA-UHFFFAOYSA-N	1	0	426.513	3.345	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1[nH]nc2ccccc21	ZINC000012445508	523733051	/nfs/dbraw/zinc/73/30/51/523733051.db2.gz	CTBSGMIAJUJMKH-FQEVSTJZSA-N	1	0	446.595	3.460	50	0		IGAARO
CCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1	ZINC000020454951	523929791	/nfs/dbraw/zinc/92/97/91/523929791.db2.gz	XIXOYEHZBGSDHK-UHFFFAOYSA-N	1	0	425.483	3.107	50	0		IGAARO
CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[NH+](C)C)cc1	ZINC000012785249	524048920	/nfs/dbraw/zinc/04/89/20/524048920.db2.gz	GODFPPMARMQGFV-FQEVSTJZSA-N	1	0	437.993	3.185	50	0		IGAARO
CNC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)Cc2cccs2)CC1	ZINC000012334103	524048977	/nfs/dbraw/zinc/04/89/77/524048977.db2.gz	BZJPHPRMVVIKPI-SFHVURJKSA-N	1	0	443.613	3.175	50	0		IGAARO
C[NH+](C)CCCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1	ZINC000012342219	524053247	/nfs/dbraw/zinc/05/32/47/524053247.db2.gz	SFMAYISKBPLZTI-UHFFFAOYSA-N	1	0	435.546	3.194	50	0		IGAARO
COc1ccc(CNCc2nc(C)cc(C)n2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012478666	524073841	/nfs/dbraw/zinc/07/38/41/524073841.db2.gz	YYVXSVWITKQNOZ-JOCHJYFZSA-N	1	0	442.604	3.398	50	0		IGAARO
Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)C[N@H+](Cc3ccccc3)C2)c1	ZINC000014751127	524384018	/nfs/dbraw/zinc/38/40/18/524384018.db2.gz	MOLFIRFHQDMVLG-CLJLJLNGSA-N	1	0	435.612	3.390	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)cc1	ZINC000012585306	524689580	/nfs/dbraw/zinc/68/95/80/524689580.db2.gz	NEMMLGFDCVCHPG-UHFFFAOYSA-N	1	0	445.585	3.490	50	0		IGAARO
Cc1cc(N2CCN(C(=O)c3cn(Cc4cccc5ccccc54)nn3)CC2)cc(C)[nH+]1	ZINC000012442617	525076671	/nfs/dbraw/zinc/07/66/71/525076671.db2.gz	LDFMVBCCPNOIGS-UHFFFAOYSA-N	1	0	426.524	3.454	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCCC[NH+]2CCCCC2)s1	ZINC000032987330	525266013	/nfs/dbraw/zinc/26/60/13/525266013.db2.gz	ZDFBTCBFKPTEAX-UHFFFAOYSA-N	1	0	447.630	3.324	50	0		IGAARO
COc1ccc2c(c1)C=C(C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CO2	ZINC000021095404	525510863	/nfs/dbraw/zinc/51/08/63/525510863.db2.gz	AKUIRQSZFXBPEW-UHFFFAOYSA-N	1	0	441.959	3.453	50	0		IGAARO
COc1cccc(CN2CC[N@@H+](C3CCN(c4ccccc4F)CC3)C[C@@H]2CCO)c1	ZINC000020906798	525945443	/nfs/dbraw/zinc/94/54/43/525945443.db2.gz	CAOHKWDKHJCSRC-QFIPXVFZSA-N	1	0	427.564	3.372	50	0		IGAARO
Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)nn1C	ZINC000012301113	526232241	/nfs/dbraw/zinc/23/22/41/526232241.db2.gz	LWOSAUCHNVJPMG-OAQYLSRUSA-N	1	0	428.552	3.401	50	0		IGAARO
Cc1occc1C(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012191820	526803217	/nfs/dbraw/zinc/80/32/17/526803217.db2.gz	NNVAHFFAXHXSID-UHFFFAOYSA-N	1	0	433.936	3.216	50	0		IGAARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000012745415	527200053	/nfs/dbraw/zinc/20/00/53/527200053.db2.gz	NMGKDRSRCKJTAP-KRWDZBQOSA-N	1	0	434.466	3.112	50	0		IGAARO
Cn1cc(C[NH2+][C@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1	ZINC000012592314	527221999	/nfs/dbraw/zinc/22/19/99/527221999.db2.gz	FCIUMJWSBOMNGU-OAQYLSRUSA-N	1	0	430.512	3.371	50	0		IGAARO
O=C(Cc1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1)NCc1ccccc1	ZINC000012454831	527235430	/nfs/dbraw/zinc/23/54/30/527235430.db2.gz	VTRWFFGTDHDZDJ-UHFFFAOYSA-N	1	0	448.611	3.116	50	0		IGAARO
O=C(Cc1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)cc1)NCCc1cccc(F)c1	ZINC000012218650	527236061	/nfs/dbraw/zinc/23/60/61/527236061.db2.gz	WRMBRCSEFOKFLY-HSZRJFAPSA-N	1	0	425.548	3.074	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1	ZINC000035455108	527664953	/nfs/dbraw/zinc/66/49/53/527664953.db2.gz	IUKIHUKOAMNIBI-FQEVSTJZSA-N	1	0	425.552	3.491	50	0		IGAARO
O=C(NCCC[NH2+]C1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000012584101	527676388	/nfs/dbraw/zinc/67/63/88/527676388.db2.gz	NZNKXNXPRYRJLZ-UHFFFAOYSA-N	1	0	441.597	3.480	50	0		IGAARO
O=C(NCCCO)c1cn([C@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1	ZINC000012193299	527679747	/nfs/dbraw/zinc/67/97/47/527679747.db2.gz	BVPFALJTDFIYJA-SFHVURJKSA-N	1	0	443.935	3.141	50	0		IGAARO
CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1	ZINC000034677518	555795656	/nfs/dbraw/zinc/79/56/56/555795656.db2.gz	BMMDHPXAMLIPQJ-INIZCTEOSA-N	1	0	438.931	3.388	50	0		IGAARO
O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000004099263	555962207	/nfs/dbraw/zinc/96/22/07/555962207.db2.gz	UFQCGIWAPNSGPX-HNNXBMFYSA-N	1	0	441.457	3.434	50	0		IGAARO
COc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1	ZINC000013732926	556296532	/nfs/dbraw/zinc/29/65/32/556296532.db2.gz	NMBYXEPVUOFYCK-UHFFFAOYSA-N	1	0	441.341	3.237	50	0		IGAARO
COc1cc(C[NH2+]CCOCCO)cc(Br)c1OCc1ccc(F)cc1	ZINC000010435693	556334545	/nfs/dbraw/zinc/33/45/45/556334545.db2.gz	SJIABWKCEZKVST-UHFFFAOYSA-N	1	0	428.298	3.274	50	0		IGAARO
COCCN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000011661087	556342746	/nfs/dbraw/zinc/34/27/46/556342746.db2.gz	CVIGOFXYWKQMTN-QFIPXVFZSA-N	1	0	438.612	3.386	50	0		IGAARO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2)C1	ZINC000032781264	556349327	/nfs/dbraw/zinc/34/93/27/556349327.db2.gz	GZQCLGVCFDRLAR-GCJKJVERSA-N	1	0	429.586	3.140	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CC[N@@H+](CCc1ccccc1)CC2	ZINC000011787571	556354236	/nfs/dbraw/zinc/35/42/36/556354236.db2.gz	LNLWHUNLOJJSGV-UHFFFAOYSA-N	1	0	449.526	3.027	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1	ZINC000032795678	556357867	/nfs/dbraw/zinc/35/78/67/556357867.db2.gz	LJZRARKBVAAVBW-KRWDZBQOSA-N	1	0	430.346	3.180	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H](C)c2nnc(C)[nH]2)c1	ZINC000011817152	556359699	/nfs/dbraw/zinc/35/96/99/556359699.db2.gz	YSLDNOYHYKRLSZ-HNNXBMFYSA-N	1	0	427.549	3.399	50	0		IGAARO
COc1ccccc1CC[NH2+]C1CCN(c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)CC1	ZINC000011912739	556375565	/nfs/dbraw/zinc/37/55/65/556375565.db2.gz	LBMAFJKUOCIRBZ-XMMPIXPASA-N	1	0	437.584	3.093	50	0		IGAARO
CCCC[C@@H]1C[N@H+](CCC(=O)NCCc2nnc(-c3ccncc3)[nH]2)Cc2ccccc2O1	ZINC000011975915	556383109	/nfs/dbraw/zinc/38/31/09/556383109.db2.gz	ILZMOGPNBVUKLS-OAQYLSRUSA-N	1	0	448.571	3.369	50	0		IGAARO
CC[NH+](CC)CCCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc(C(C)C)c1=O	ZINC000014184621	556384499	/nfs/dbraw/zinc/38/44/99/556384499.db2.gz	HZDAYRZPWQSMOR-UHFFFAOYSA-N	1	0	448.633	3.426	50	0		IGAARO
CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[NH+]1CCCCC1	ZINC000014187154	556386367	/nfs/dbraw/zinc/38/63/67/556386367.db2.gz	RXMCWYQLDQIWDX-UHFFFAOYSA-N	1	0	441.597	3.432	50	0		IGAARO
COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000012037195	556390117	/nfs/dbraw/zinc/39/01/17/556390117.db2.gz	MQLICNNRWULLKA-QFIPXVFZSA-N	1	0	445.567	3.237	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1)C2	ZINC000014532904	556421543	/nfs/dbraw/zinc/42/15/43/556421543.db2.gz	WAVISZSLHSKHAC-IBGZPJMESA-N	1	0	430.980	3.312	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2	ZINC000012995954	556431162	/nfs/dbraw/zinc/43/11/62/556431162.db2.gz	OMVHIEBQLQNSQR-JPYJTQIMSA-N	1	0	426.582	3.436	50	0		IGAARO
Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1	ZINC000011025599	556434477	/nfs/dbraw/zinc/43/44/77/556434477.db2.gz	WDPHQRHXCJLSTH-UHFFFAOYSA-N	1	0	436.537	3.186	50	0		IGAARO
COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C	ZINC000014746253	556441148	/nfs/dbraw/zinc/44/11/48/556441148.db2.gz	ZHUOHOHWVYIXTO-HXUWFJFHSA-N	1	0	430.593	3.194	50	0		IGAARO
COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2cccc(OC)c2)CC3)cc1	ZINC000014746849	556441571	/nfs/dbraw/zinc/44/15/71/556441571.db2.gz	XMXCLQXSRDRXJI-UHFFFAOYSA-N	1	0	437.540	3.175	50	0		IGAARO
CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NC[C@H]2CCCO2)C1	ZINC000014747729	556441867	/nfs/dbraw/zinc/44/18/67/556441867.db2.gz	XWPMPUABPKFBQV-QZNHQXDQSA-N	1	0	427.589	3.003	50	0		IGAARO
O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2	ZINC000014880123	556453208	/nfs/dbraw/zinc/45/32/08/556453208.db2.gz	YFKPIWAGYHROKQ-UHFFFAOYSA-N	1	0	433.487	3.081	50	0		IGAARO
CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CC1	ZINC000014939357	556459043	/nfs/dbraw/zinc/45/90/43/556459043.db2.gz	QRXIKDFLRZGRSL-MRXNPFEDSA-N	1	0	442.025	3.363	50	0		IGAARO
CC(C)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	ZINC000072281877	556463067	/nfs/dbraw/zinc/46/30/67/556463067.db2.gz	GNFBMGDJIKYSLJ-UHFFFAOYSA-N	1	0	449.661	3.374	50	0		IGAARO
COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCN(c2ccccc2)CC1)C3	ZINC000014971752	556467427	/nfs/dbraw/zinc/46/74/27/556467427.db2.gz	FKBJJPQFDXSSKY-IBGZPJMESA-N	1	0	438.597	3.174	50	0		IGAARO
O=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000014978355	556469641	/nfs/dbraw/zinc/46/96/41/556469641.db2.gz	CVMDUKXSRCAUHZ-OAQYLSRUSA-N	1	0	427.520	3.047	50	0		IGAARO
CCc1c(C(=O)NCc2nnc(-c3ccccc3)o2)c(=O)cc(C)n1CC[NH+]1CCCCC1	ZINC000014989889	556474399	/nfs/dbraw/zinc/47/43/99/556474399.db2.gz	JAQWFTGDYJJOFN-UHFFFAOYSA-N	1	0	449.555	3.185	50	0		IGAARO
C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCc2ccccc21	ZINC000029482758	556476411	/nfs/dbraw/zinc/47/64/11/556476411.db2.gz	AMOBXVNTPPFQAE-QFIPXVFZSA-N	1	0	427.570	3.419	50	0		IGAARO
CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1	ZINC000015061944	556490511	/nfs/dbraw/zinc/49/05/11/556490511.db2.gz	ZMZGRCWMEUVEKV-FQEVSTJZSA-N	1	0	435.634	3.236	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1	ZINC000032879249	556505187	/nfs/dbraw/zinc/50/51/87/556505187.db2.gz	IZLJYHUDKVQSOP-UHFFFAOYSA-N	1	0	427.936	3.143	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O	ZINC000013550171	556515001	/nfs/dbraw/zinc/51/50/01/556515001.db2.gz	KKQMJJLROBQJSM-GOSISDBHSA-N	1	0	436.508	3.448	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000013573256	556523858	/nfs/dbraw/zinc/52/38/58/556523858.db2.gz	NUXASOIAYFNQAH-BPEVIRQKSA-N	1	0	437.927	3.102	50	0		IGAARO
C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@H](C)O1	ZINC000032899228	556524582	/nfs/dbraw/zinc/52/45/82/556524582.db2.gz	OIVJXYBYXLBQJT-BGYRXZFFSA-N	1	0	433.556	3.223	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21	ZINC000016010332	556573909	/nfs/dbraw/zinc/57/39/09/556573909.db2.gz	JYDJTIILAZQOPN-KSYXXAMZSA-N	1	0	435.499	3.019	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	ZINC000016012284	556574228	/nfs/dbraw/zinc/57/42/28/556574228.db2.gz	RSEYAELSUWFHKH-SUWCGCSTSA-N	1	0	441.940	3.018	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000016024829	556576198	/nfs/dbraw/zinc/57/61/98/556576198.db2.gz	XOQCUAXBWURDMH-FVJVTNMWSA-N	1	0	437.927	3.103	50	0		IGAARO
CS(=O)(=O)Nc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1Cl	ZINC000060238378	556577544	/nfs/dbraw/zinc/57/75/44/556577544.db2.gz	PBPHAOGFOPLDLC-SFHVURJKSA-N	1	0	435.977	3.496	50	0		IGAARO
CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1)[C@H]1CC[N@H+](C)C1	ZINC000034921923	556586528	/nfs/dbraw/zinc/58/65/28/556586528.db2.gz	KDJWOGVSJXLGMN-SFHVURJKSA-N	1	0	431.496	3.392	50	0		IGAARO
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000016261391	556594913	/nfs/dbraw/zinc/59/49/13/556594913.db2.gz	YWDFVJUKUVYHBZ-SFHVURJKSA-N	1	0	436.581	3.118	50	0		IGAARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000016259284	556594948	/nfs/dbraw/zinc/59/49/48/556594948.db2.gz	NGDMDTQGJGNVRW-FQEVSTJZSA-N	1	0	447.626	3.102	50	0		IGAARO
O=C(CC[N@H+]1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)N1CCc2ccccc21	ZINC000072311992	556595346	/nfs/dbraw/zinc/59/53/46/556595346.db2.gz	VNRDXTGOLSKTFC-UHFFFAOYSA-N	1	0	437.975	3.475	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC[NH+]3CCCCC3)s2)cc1	ZINC000032987811	556608253	/nfs/dbraw/zinc/60/82/53/556608253.db2.gz	QKNMYTYZSHHVGA-UHFFFAOYSA-N	1	0	445.589	3.114	50	0		IGAARO
O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCC[NH+]1CCCCCC1	ZINC000032995445	556610782	/nfs/dbraw/zinc/61/07/82/556610782.db2.gz	HJIJKCYZODLNOC-UHFFFAOYSA-N	1	0	433.553	3.244	50	0		IGAARO
CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCN(C(=O)OCC)C2	ZINC000016675977	556622397	/nfs/dbraw/zinc/62/23/97/556622397.db2.gz	VAPTUFFEIVZFPK-UHFFFAOYSA-N	1	0	445.541	3.168	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000409413458	556640742	/nfs/dbraw/zinc/64/07/42/556640742.db2.gz	IDLBWXARRNAEEO-KNQAVFIVSA-N	1	0	440.588	3.398	50	0		IGAARO
COc1ccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1Cl	ZINC000011865993	556665700	/nfs/dbraw/zinc/66/57/00/556665700.db2.gz	AMKPOAFVUUBTBO-GOSISDBHSA-N	1	0	441.959	3.482	50	0		IGAARO
C[C@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000033032591	556712800	/nfs/dbraw/zinc/71/28/00/556712800.db2.gz	JKURUXWKZRCUCP-QGZVFWFLSA-N	1	0	444.373	3.127	50	0		IGAARO
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](N1CCC([NH+]3CCCCC3)CC1)CC2	ZINC000019229105	556717624	/nfs/dbraw/zinc/71/76/24/556717624.db2.gz	LBMAVOPGWOTYJL-HXUWFJFHSA-N	1	0	439.604	3.093	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cc(C)ccc3C)nc1=O)CCC2	ZINC000005254287	556747427	/nfs/dbraw/zinc/74/74/27/556747427.db2.gz	WETLPXINGDZZIL-UHFFFAOYSA-N	1	0	428.602	3.421	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(Oc4ncccn4)c3)cn2)CC1	ZINC000058145842	556761726	/nfs/dbraw/zinc/76/17/26/556761726.db2.gz	PKFYVVFTHDKCQJ-UHFFFAOYSA-N	1	0	433.516	3.128	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000061997528	556763808	/nfs/dbraw/zinc/76/38/08/556763808.db2.gz	DLPGSFRECXFFPX-ZLTIPISJSA-N	1	0	428.548	3.233	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)cc(F)c3)c(=O)c2C1	ZINC000062007157	556765434	/nfs/dbraw/zinc/76/54/34/556765434.db2.gz	RDKAXWZRRGYROD-UHFFFAOYSA-N	1	0	442.441	3.344	50	0		IGAARO
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1	ZINC000058209702	556771933	/nfs/dbraw/zinc/77/19/33/556771933.db2.gz	VWFCJMUNFUICFC-UHFFFAOYSA-N	1	0	447.988	3.326	50	0		IGAARO
CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+](CC)CC)cc2)c1C(F)(F)F	ZINC000058778618	556791985	/nfs/dbraw/zinc/79/19/85/556791985.db2.gz	XAKZMXFPYSYLTJ-UHFFFAOYSA-N	1	0	426.439	3.139	50	0		IGAARO
COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1	ZINC000059119436	556794805	/nfs/dbraw/zinc/79/48/05/556794805.db2.gz	MLYNOYXXOUHRFN-QHCPKHFHSA-N	1	0	441.572	3.469	50	0		IGAARO
O=C(CCN(Cc1ccc(F)cc1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1	ZINC000065314953	556833144	/nfs/dbraw/zinc/83/31/44/556833144.db2.gz	QKZIIANGJSNWEY-UHFFFAOYSA-N	1	0	448.336	3.053	50	0		IGAARO
Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)cc1	ZINC000065314938	556833156	/nfs/dbraw/zinc/83/31/56/556833156.db2.gz	LXEKRWWWGCNCPR-UHFFFAOYSA-N	1	0	433.474	3.478	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1OC	ZINC000065362133	556834073	/nfs/dbraw/zinc/83/40/73/556834073.db2.gz	SNAHHMSHSHJQGU-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	ZINC000033131328	556871557	/nfs/dbraw/zinc/87/15/57/556871557.db2.gz	FPQWMBOANUJPDD-UHFFFAOYSA-N	1	0	430.014	3.366	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000033131295	556871615	/nfs/dbraw/zinc/87/16/15/556871615.db2.gz	RVNXFNPFPFIAGP-MRXNPFEDSA-N	1	0	427.998	3.119	50	0		IGAARO
CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000072128946	556899149	/nfs/dbraw/zinc/89/91/49/556899149.db2.gz	RDPJDHXGVVVUJJ-HXUWFJFHSA-N	1	0	426.527	3.207	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccsc1	ZINC000023133313	557016813	/nfs/dbraw/zinc/01/68/13/557016813.db2.gz	PPYRCEHECSANRD-IBGZPJMESA-N	1	0	449.623	3.321	50	0		IGAARO
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(I)c1	ZINC000022933150	557050768	/nfs/dbraw/zinc/05/07/68/557050768.db2.gz	NHMCQCBEFDMFRK-UHFFFAOYSA-N	1	0	449.336	3.090	50	0		IGAARO
O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000048275544	557055886	/nfs/dbraw/zinc/05/58/86/557055886.db2.gz	DOAKQEGKLVLLEL-MSOLQXFVSA-N	1	0	440.510	3.030	50	0		IGAARO
O=S(=O)(c1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1)N1CCOCC1	ZINC000017317554	557057423	/nfs/dbraw/zinc/05/74/23/557057423.db2.gz	VQQZRLCQYRYGIY-UHFFFAOYSA-N	1	0	430.501	3.396	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)Cc2nccn2C)c1	ZINC000023339421	557085493	/nfs/dbraw/zinc/08/54/93/557085493.db2.gz	VHZFBTYAXVKBMJ-UHFFFAOYSA-N	1	0	426.561	3.487	50	0		IGAARO
O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1	ZINC000024240652	557141628	/nfs/dbraw/zinc/14/16/28/557141628.db2.gz	KQVJPAPALBGWMI-UHFFFAOYSA-N	1	0	441.959	3.413	50	0		IGAARO
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)c1	ZINC000024838051	557172689	/nfs/dbraw/zinc/17/26/89/557172689.db2.gz	UMNDOQDSKOUASL-JOCHJYFZSA-N	1	0	447.601	3.115	50	0		IGAARO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-n2cnnn2)cc1	ZINC000025181232	557198947	/nfs/dbraw/zinc/19/89/47/557198947.db2.gz	RVVGCOHPYXLJEX-UHFFFAOYSA-N	1	0	439.523	3.237	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000100903621	557199590	/nfs/dbraw/zinc/19/95/90/557199590.db2.gz	JCXABLFQZDFOLD-RRMQHPPMSA-N	1	0	435.524	3.306	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccsc1	ZINC000025331979	557204611	/nfs/dbraw/zinc/20/46/11/557204611.db2.gz	FUIJSQZLCBQDPR-KRWDZBQOSA-N	1	0	449.374	3.030	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000583647575	557241214	/nfs/dbraw/zinc/24/12/14/557241214.db2.gz	MLYNEDMKHUBXSI-FUDKSRODSA-N	1	0	427.589	3.169	50	0		IGAARO
Cc1cc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)no1	ZINC000100183387	557246491	/nfs/dbraw/zinc/24/64/91/557246491.db2.gz	KFTVOUUHVUJJOW-NRFANRHFSA-N	1	0	430.508	3.022	50	0		IGAARO
C[NH+]1CCN([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc(Cl)cc2)CC1	ZINC000027579613	557266162	/nfs/dbraw/zinc/26/61/62/557266162.db2.gz	SBVVIQYBLAYIRI-FQEVSTJZSA-N	1	0	425.916	3.165	50	0		IGAARO
O=C1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000101163724	557284161	/nfs/dbraw/zinc/28/41/61/557284161.db2.gz	SYSHFXMDZYEOCI-KRWDZBQOSA-N	1	0	436.409	3.130	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)cc1	ZINC000101490530	557288295	/nfs/dbraw/zinc/28/82/95/557288295.db2.gz	QVWZKNQITOKHDJ-GOSISDBHSA-N	1	0	433.961	3.250	50	0		IGAARO
C[C@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000014160861	557311919	/nfs/dbraw/zinc/31/19/19/557311919.db2.gz	VNODTSOQHYRVRS-HFJWLAOPSA-N	1	0	448.567	3.191	50	0		IGAARO
COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccccc3)N3CC[NH+](C)CC3)c2=O)cc1	ZINC000023477071	557363254	/nfs/dbraw/zinc/36/32/54/557363254.db2.gz	WSOHNRAAGTZDBT-RUZDIDTESA-N	1	0	433.552	3.256	50	0		IGAARO
CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COC	ZINC000105002720	557470252	/nfs/dbraw/zinc/47/02/52/557470252.db2.gz	YOMKYCHPPHFXKD-PZJWPPBQSA-N	1	0	446.613	3.281	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](C)O	ZINC000105003727	557470857	/nfs/dbraw/zinc/47/08/57/557470857.db2.gz	ACBRHOSXKLKMMX-UGKGYDQZSA-N	1	0	446.613	3.281	50	0		IGAARO
COc1ccc([C@@H]2[C@H](COC(=O)CCn3cnc4ccccc4c3=O)CCC[N@@H+]2C)cc1	ZINC000106914061	557533668	/nfs/dbraw/zinc/53/36/68/557533668.db2.gz	SBROSZQWWFPFKH-YADARESESA-N	1	0	435.524	3.422	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000107178731	557535390	/nfs/dbraw/zinc/53/53/90/557535390.db2.gz	XHHWFEGPPWWFRP-XMODTWTHSA-N	1	0	435.911	3.388	50	0		IGAARO
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@H]4CC[N@H+](C)[C@H]4c4cccs4)c3)cc21	ZINC000108389728	557542766	/nfs/dbraw/zinc/54/27/66/557542766.db2.gz	TXYCTSLNNISGRK-DYESRHJHSA-N	1	0	447.564	3.365	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)C1	ZINC000109041651	557545719	/nfs/dbraw/zinc/54/57/19/557545719.db2.gz	AEVSRLZHANTXSV-DFBJGRDBSA-N	1	0	440.588	3.004	50	0		IGAARO
CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1	ZINC000045944093	557552782	/nfs/dbraw/zinc/55/27/82/557552782.db2.gz	GRQJIDWUZUNFQQ-UHFFFAOYSA-N	1	0	435.634	3.345	50	0		IGAARO
C[C@H](NC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000225414217	557720258	/nfs/dbraw/zinc/72/02/58/557720258.db2.gz	YZAQNCAVJAWNLG-IRXDYDNUSA-N	1	0	448.583	3.258	50	0		IGAARO
CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2C[C@@H]1C	ZINC000241124267	557845900	/nfs/dbraw/zinc/84/59/00/557845900.db2.gz	JGVCXIXACNVMLQ-OXJNMPFZSA-N	1	0	425.554	3.157	50	0		IGAARO
CN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C1CC[NH+](C)CC1	ZINC000003515808	562936346	/nfs/dbraw/zinc/93/63/46/562936346.db2.gz	OSTNFGOSBWLFNT-UHFFFAOYSA-N	1	0	435.977	3.331	50	0		IGAARO
C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C2=O	ZINC000006576774	562947371	/nfs/dbraw/zinc/94/73/71/562947371.db2.gz	RNIRNQSBSOEUSI-QZTZHPFYSA-N	1	0	444.576	3.060	50	0		IGAARO
O=C(CCc1nnc2ccc(NCc3ccccc3)nn21)NC[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000009743374	562976418	/nfs/dbraw/zinc/97/64/18/562976418.db2.gz	ANWOAGKLIFXTRM-FQEVSTJZSA-N	1	0	447.587	3.050	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC	ZINC000023374880	568613871	/nfs/dbraw/zinc/61/38/71/568613871.db2.gz	CWELYUUSTIQUIL-QFIPXVFZSA-N	1	0	428.573	3.214	50	0		IGAARO
CC[N@H+](CCn1cccn1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000015076547	568636083	/nfs/dbraw/zinc/63/60/83/568636083.db2.gz	MMQQIUGHALMLKQ-QHCPKHFHSA-N	1	0	444.620	3.420	50	0		IGAARO
OCC[NH2+]CCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	ZINC000261492167	568734384	/nfs/dbraw/zinc/73/43/84/568734384.db2.gz	SFCUNGMQEGOGII-UHFFFAOYSA-N	1	0	434.371	3.362	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2nc3ccccc3n2C)cc1	ZINC000299785597	568757541	/nfs/dbraw/zinc/75/75/41/568757541.db2.gz	KTRQSEKIXHFOJH-HXUWFJFHSA-N	1	0	434.540	3.073	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cc2)cc1	ZINC000084544252	568798629	/nfs/dbraw/zinc/79/86/29/568798629.db2.gz	UQYDFMSWJRUWNU-SFHVURJKSA-N	1	0	445.585	3.204	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)n2)cc1	ZINC000015679017	568805478	/nfs/dbraw/zinc/80/54/78/568805478.db2.gz	BQIMPYOMLCRTGE-LJQANCHMSA-N	1	0	441.576	3.342	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)c(C)c1C	ZINC000104497641	568837411	/nfs/dbraw/zinc/83/74/11/568837411.db2.gz	KURJXCDLEKQOSX-HXUWFJFHSA-N	1	0	426.586	3.386	50	0		IGAARO
CC(C)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21	ZINC000015958965	568860223	/nfs/dbraw/zinc/86/02/23/568860223.db2.gz	KOJMTCSPNDBQIP-VKDGWMQASA-N	1	0	437.927	3.307	50	0		IGAARO
CN(C)C(=O)c1ccc(NC(=O)CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)cc1	ZINC000240244195	568911928	/nfs/dbraw/zinc/91/19/28/568911928.db2.gz	DKUNDGCAEALTBH-RLLQIKCJSA-N	1	0	429.561	3.302	50	0		IGAARO
CSc1ccc(O[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)cc1	ZINC000089368819	568921445	/nfs/dbraw/zinc/92/14/45/568921445.db2.gz	YYRQHXPDGQQXED-NQIIRXRSSA-N	1	0	428.598	3.096	50	0		IGAARO
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000089478413	568926548	/nfs/dbraw/zinc/92/65/48/568926548.db2.gz	YDSBGJOVIVWEAV-YRISNDGFSA-N	1	0	447.373	3.216	50	0		IGAARO
O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCC[NH+]1CCCCCC1	ZINC000064817760	568964904	/nfs/dbraw/zinc/96/49/04/568964904.db2.gz	JSLOFMHQIPBJQU-UHFFFAOYSA-N	1	0	443.979	3.323	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1	ZINC000036256252	568985064	/nfs/dbraw/zinc/98/50/64/568985064.db2.gz	VOWVDLXOJGGEMB-JOCHJYFZSA-N	1	0	449.039	3.115	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](C)O	ZINC000036309134	568995897	/nfs/dbraw/zinc/99/58/97/568995897.db2.gz	YTPLKSFBDOCQGF-KNQAVFIVSA-N	1	0	446.613	3.281	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC[C@H](C)[NH+]3CCCCCC3)cc21	ZINC000064952305	568998403	/nfs/dbraw/zinc/99/84/03/568998403.db2.gz	BQFBXAGTLMHELK-KRWDZBQOSA-N	1	0	439.647	3.468	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1	ZINC000006868540	569092745	/nfs/dbraw/zinc/09/27/45/569092745.db2.gz	JXMLJTCJADNDFA-LJQANCHMSA-N	1	0	429.565	3.200	50	0		IGAARO
COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000036390194	569096524	/nfs/dbraw/zinc/09/65/24/569096524.db2.gz	FGPXEMZBEUJCCM-VGOFRKELSA-N	1	0	445.585	3.137	50	0		IGAARO
C[N@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1)Cc1ccccc1	ZINC000065061722	569096847	/nfs/dbraw/zinc/09/68/47/569096847.db2.gz	UCIJKEUCOQTAET-UHFFFAOYSA-N	1	0	449.642	3.177	50	0		IGAARO
CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCC2)cc1	ZINC000065074849	569099288	/nfs/dbraw/zinc/09/92/88/569099288.db2.gz	HNFSHKVBTUQVSK-UHFFFAOYSA-N	1	0	432.634	3.257	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1	ZINC000065102675	569106093	/nfs/dbraw/zinc/10/60/93/569106093.db2.gz	TYMKLBMPIAGHMW-UHFFFAOYSA-N	1	0	425.602	3.446	50	0		IGAARO
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)nc1	ZINC000065196994	569115879	/nfs/dbraw/zinc/11/58/79/569115879.db2.gz	GFJVVCYTKHZRKK-UHFFFAOYSA-N	1	0	438.576	3.342	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cnc3nccnc3c2)CC1	ZINC000065227337	569118175	/nfs/dbraw/zinc/11/81/75/569118175.db2.gz	GXZVRTGWCRHVQF-UHFFFAOYSA-N	1	0	430.556	3.022	50	0		IGAARO
COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1	ZINC000065255767	569122965	/nfs/dbraw/zinc/12/29/65/569122965.db2.gz	MQPZRSUDQBEANS-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)c(OC)c1	ZINC000065256098	569123225	/nfs/dbraw/zinc/12/32/25/569123225.db2.gz	BFLOGNYFKVVLLU-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCN(c2ccccc2)CC1	ZINC000065256148	569123229	/nfs/dbraw/zinc/12/32/29/569123229.db2.gz	VPPXPGWPOVKLGO-DEOSSOPVSA-N	1	0	427.552	3.195	50	0		IGAARO
C[NH+]1CCC(CCNC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1	ZINC000065270882	569127618	/nfs/dbraw/zinc/12/76/18/569127618.db2.gz	DJBIIWRLLPQZTN-UHFFFAOYSA-N	1	0	443.551	3.159	50	0		IGAARO
COc1ccc(CCNC(=O)C[NH+]2CCC(Cn3cnc4ccccc43)CC2)cc1OC	ZINC000036708881	569136143	/nfs/dbraw/zinc/13/61/43/569136143.db2.gz	FRVIQAFXLYWYRY-UHFFFAOYSA-N	1	0	436.556	3.124	50	0		IGAARO
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000065329557	569136909	/nfs/dbraw/zinc/13/69/09/569136909.db2.gz	KMUMUBZPKAJKTJ-UHFFFAOYSA-N	1	0	428.920	3.130	50	0		IGAARO
C[C@H](Oc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1)c1ccccc1	ZINC000065563920	569139232	/nfs/dbraw/zinc/13/92/32/569139232.db2.gz	ALDLENVRDOTINB-IBGZPJMESA-N	1	0	431.540	3.298	50	0		IGAARO
CN(C[C@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C	ZINC000170607398	569144190	/nfs/dbraw/zinc/14/41/90/569144190.db2.gz	ZZIMQDVPNYUKQC-LJQANCHMSA-N	1	0	440.629	3.118	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1	ZINC000002154984	569187418	/nfs/dbraw/zinc/18/74/18/569187418.db2.gz	ZXBPYNJHTIRHRM-RDZAMDMMSA-N	1	0	440.584	3.102	50	0		IGAARO
O=C(NCC1CC[NH+](C2CCSCC2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000252508113	569188308	/nfs/dbraw/zinc/18/83/08/569188308.db2.gz	XDEAUJXGWAUXFZ-UHFFFAOYSA-N	1	0	429.508	3.368	50	0		IGAARO
Cc1ncccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819668	569211436	/nfs/dbraw/zinc/21/14/36/569211436.db2.gz	ACXNQFHRVYSNLS-HSZRJFAPSA-N	1	0	434.584	3.366	50	0		IGAARO
COC(=O)N1CCN(c2cc[nH+]cc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1	ZINC000253428688	569267677	/nfs/dbraw/zinc/26/76/77/569267677.db2.gz	QXDIIWNHUIHFRW-OAHLLOKOSA-N	1	0	432.908	3.338	50	0		IGAARO
CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1	ZINC000020240696	569357791	/nfs/dbraw/zinc/35/77/91/569357791.db2.gz	XCQCVIIAUJCJDN-UHFFFAOYSA-N	1	0	445.560	3.422	50	0		IGAARO
Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000020416864	569364641	/nfs/dbraw/zinc/36/46/41/569364641.db2.gz	NCGGXWDVZCVJIC-UHFFFAOYSA-N	1	0	447.583	3.281	50	0		IGAARO
CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NC1CC[NH+](CC=C(C)C)CC1	ZINC000095448049	569367476	/nfs/dbraw/zinc/36/74/76/569367476.db2.gz	XCQZERKRRZCHPW-UHFFFAOYSA-N	1	0	427.574	3.080	50	0		IGAARO
CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O2	ZINC000095455505	569368557	/nfs/dbraw/zinc/36/85/57/569368557.db2.gz	MLIIPJIXOWWSFX-DVECYGJZSA-N	1	0	429.561	3.492	50	0		IGAARO
COc1ccc(CCC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1OC	ZINC000095460113	569369580	/nfs/dbraw/zinc/36/95/80/569369580.db2.gz	GDVNYNJHXPXJRR-UHFFFAOYSA-N	1	0	426.557	3.470	50	0		IGAARO
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(F)cc(F)cc12	ZINC000095471749	569372026	/nfs/dbraw/zinc/37/20/26/569372026.db2.gz	LAMRJUVVEKVEMN-UHFFFAOYSA-N	1	0	441.434	3.208	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000095941092	569375447	/nfs/dbraw/zinc/37/54/47/569375447.db2.gz	INYXXHADLGIQAP-SLFFLAALSA-N	1	0	447.576	3.278	50	0		IGAARO
CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@@H]1c1ccco1	ZINC000029143220	569427337	/nfs/dbraw/zinc/42/73/37/569427337.db2.gz	LEGXHMVHQGMJRP-LJQANCHMSA-N	1	0	433.892	3.115	50	0		IGAARO
COc1cc(OC)cc([C@@H](NC(=O)c2cncc(Br)c2)c2nccn2C)c1	ZINC000029130671	569427434	/nfs/dbraw/zinc/42/74/34/569427434.db2.gz	UDZMDCJNEKXNTL-QGZVFWFLSA-N	1	0	431.290	3.114	50	0		IGAARO
C[NH+](C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1	ZINC000029954467	569439790	/nfs/dbraw/zinc/43/97/90/569439790.db2.gz	BJCNFIQCXQSZOV-LPHOPBHVSA-N	1	0	430.346	3.221	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000008278773	569462537	/nfs/dbraw/zinc/46/25/37/569462537.db2.gz	FOYHZPWUUUCBSH-UHFFFAOYSA-N	1	0	427.570	3.044	50	0		IGAARO
CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1	ZINC000008478234	569465859	/nfs/dbraw/zinc/46/58/59/569465859.db2.gz	YTQIAVFIYHFXQQ-IRLDBZIGSA-N	1	0	427.545	3.386	50	0		IGAARO
COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c1	ZINC000008892856	569483524	/nfs/dbraw/zinc/48/35/24/569483524.db2.gz	FEBDCAHYYQPSML-LJQANCHMSA-N	1	0	431.558	3.437	50	0		IGAARO
COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cs2)c1	ZINC000040356089	569499975	/nfs/dbraw/zinc/49/99/75/569499975.db2.gz	MVYBYLDTJVVRNB-HNNXBMFYSA-N	1	0	446.573	3.407	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C	ZINC000069378853	569503590	/nfs/dbraw/zinc/50/35/90/569503590.db2.gz	OFBPTXQVRFJXDF-HXUWFJFHSA-N	1	0	429.948	3.331	50	0		IGAARO
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2	ZINC000069893371	569522977	/nfs/dbraw/zinc/52/29/77/569522977.db2.gz	CUBZUQYMKBNKIN-OAQYLSRUSA-N	1	0	449.530	3.182	50	0		IGAARO
O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000009363976	569525934	/nfs/dbraw/zinc/52/59/34/569525934.db2.gz	MORRDDJIMPSTDR-UGKGYDQZSA-N	1	0	446.551	3.168	50	0		IGAARO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000009402809	569529406	/nfs/dbraw/zinc/52/94/06/569529406.db2.gz	NYZMSUPACKYIHW-CTNGQTDRSA-N	1	0	444.626	3.250	50	0		IGAARO
CC1(C)Cc2sc3c(c2CO1)n(CC[NH+]1CCCC1)c(=O)n(Cc1ccccc1)c3=O	ZINC000009410407	569531353	/nfs/dbraw/zinc/53/13/53/569531353.db2.gz	ZSUUOQDEGOVYPG-UHFFFAOYSA-N	1	0	439.581	3.220	50	0		IGAARO
C[C@@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12	ZINC000009667320	569557782	/nfs/dbraw/zinc/55/77/82/569557782.db2.gz	WVYMBFDQWVWNHZ-MHECFPHRSA-N	1	0	430.552	3.324	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2	ZINC000009745543	569565659	/nfs/dbraw/zinc/56/56/59/569565659.db2.gz	UKNLDYUVMSYBGI-UHFFFAOYSA-N	1	0	434.993	3.458	50	0		IGAARO
C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccc(F)c(F)c2)c2c1CCCC2	ZINC000009748039	569565871	/nfs/dbraw/zinc/56/58/71/569565871.db2.gz	HOMIAYHPWXARQG-UHFFFAOYSA-N	1	0	436.528	3.083	50	0		IGAARO
CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1	ZINC000009747944	569565887	/nfs/dbraw/zinc/56/58/87/569565887.db2.gz	INBRUZXLBPJCRV-UHFFFAOYSA-N	1	0	442.585	3.007	50	0		IGAARO
C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2F)c2c1CCCC2	ZINC000009747951	569565916	/nfs/dbraw/zinc/56/59/16/569565916.db2.gz	FLJLQRBVLDUUSB-UHFFFAOYSA-N	1	0	436.528	3.083	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1	ZINC000009766840	569566856	/nfs/dbraw/zinc/56/68/56/569566856.db2.gz	LSBMNVWFVATQSO-HSZRJFAPSA-N	1	0	439.581	3.317	50	0		IGAARO
COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1S(=O)(=O)NC1CC1	ZINC000009793613	569568343	/nfs/dbraw/zinc/56/83/43/569568343.db2.gz	YLPQGZGWBNGCMD-UHFFFAOYSA-N	1	0	449.617	3.055	50	0		IGAARO
COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1	ZINC000010233103	569579389	/nfs/dbraw/zinc/57/93/89/569579389.db2.gz	CCHDODUMQOKFMV-NRFANRHFSA-N	1	0	434.492	3.303	50	0		IGAARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCN1C(=O)c2ccc(C)cc2C1=O	ZINC000022575861	569583912	/nfs/dbraw/zinc/58/39/12/569583912.db2.gz	XRZOIXKTIDNPRX-UHFFFAOYSA-N	1	0	447.539	3.311	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1	ZINC000008825438	132295289	/nfs/dbraw/zinc/29/52/89/132295289.db2.gz	QMTCXFGOXNHQPY-VAWYXSNFSA-N	1	0	432.568	3.329	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccccc2Cl)CC1	ZINC000009908010	132331633	/nfs/dbraw/zinc/33/16/33/132331633.db2.gz	ZQECSFDFITZCEK-UHFFFAOYSA-N	1	0	431.920	3.286	50	0		IGAARO
CC[C@@H](COC)[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1	ZINC000011791274	132339980	/nfs/dbraw/zinc/33/99/80/132339980.db2.gz	KKJPETAGNWOHCZ-FQEVSTJZSA-N	1	0	439.556	3.329	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020566594	518706161	/nfs/dbraw/zinc/70/61/61/518706161.db2.gz	WXLRQONPYAAKCJ-SVHPSLOZSA-N	1	0	437.927	3.102	50	0		IGAARO
CC(=O)N1CCC[C@H]1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1	ZINC000012459734	519553735	/nfs/dbraw/zinc/55/37/35/519553735.db2.gz	OQXNZUMSOVREOK-NRFANRHFSA-N	1	0	439.522	3.429	50	0		IGAARO
CC(C)[N@H+](CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1	ZINC000020512774	519643012	/nfs/dbraw/zinc/64/30/12/519643012.db2.gz	DTWFBTHDJHSIKG-UHFFFAOYSA-N	1	0	445.567	3.456	50	0		IGAARO
CC(C)C[NH+]1CCC(CN(C)C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)CC1	ZINC000012587967	519720377	/nfs/dbraw/zinc/72/03/77/519720377.db2.gz	ZENHZNCSRQQLND-UHFFFAOYSA-N	1	0	428.533	3.224	50	0		IGAARO
CCOC(=O)C1CC[NH+](C2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)CC1	ZINC000012712149	520574093	/nfs/dbraw/zinc/57/40/93/520574093.db2.gz	VDMMKDULPYXMOZ-UHFFFAOYSA-N	1	0	430.524	3.039	50	0		IGAARO
CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1OC	ZINC000012454667	520696783	/nfs/dbraw/zinc/69/67/83/520696783.db2.gz	MAQZXQHQYNISKS-LJQANCHMSA-N	1	0	427.549	3.149	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)CC1	ZINC000012717387	520922000	/nfs/dbraw/zinc/92/20/00/520922000.db2.gz	MLFSLRQGRFCDGU-LJQANCHMSA-N	1	0	431.577	3.425	50	0		IGAARO
CCOC(=O)N1CCC(N2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)CC1	ZINC000020784703	520924600	/nfs/dbraw/zinc/92/46/00/520924600.db2.gz	FPDDEYIWFVGLNV-NRFANRHFSA-N	1	0	433.593	3.263	50	0		IGAARO
CCOC(=O)N1CCC([NH2+]Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)CC1	ZINC000012446459	520931654	/nfs/dbraw/zinc/93/16/54/520931654.db2.gz	LCQZLROKLVZGPX-UHFFFAOYSA-N	1	0	449.555	3.317	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(OC)ccc2OC)C1=O	ZINC000020533458	521653345	/nfs/dbraw/zinc/65/33/45/521653345.db2.gz	JCJSSIWTDMPAIY-QFGIDJEJSA-N	1	0	435.524	3.306	50	0		IGAARO
COC[C@H](C)[NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1	ZINC000012242902	522623094	/nfs/dbraw/zinc/62/30/94/522623094.db2.gz	SOFFQVLMYUUKAO-IBGZPJMESA-N	1	0	427.564	3.320	50	0		IGAARO
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O	ZINC000014881544	523802620	/nfs/dbraw/zinc/80/26/20/523802620.db2.gz	ZBSRJTPZSUHZIK-CPJSRVTESA-N	1	0	443.563	3.374	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC	ZINC000012111691	523940370	/nfs/dbraw/zinc/94/03/70/523940370.db2.gz	LETRRQBFANTHGI-SFHVURJKSA-N	1	0	436.549	3.171	50	0		IGAARO
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1	ZINC000020443225	524024331	/nfs/dbraw/zinc/02/43/31/524024331.db2.gz	NDTAIRXDIXEDBK-UHFFFAOYSA-N	1	0	432.952	3.497	50	0		IGAARO
C[NH+](C)C1(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CCCCC1	ZINC000012911908	524036779	/nfs/dbraw/zinc/03/67/79/524036779.db2.gz	GRWSGNNISLZDSS-UHFFFAOYSA-N	1	0	448.416	3.428	50	0		IGAARO
CCc1ccc([C@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)[NH+](C)C)cc1	ZINC000012917242	524048844	/nfs/dbraw/zinc/04/88/44/524048844.db2.gz	HOGFIWQWDKOAKV-FQEVSTJZSA-N	1	0	440.617	3.377	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)cc1	ZINC000012342207	524053627	/nfs/dbraw/zinc/05/36/27/524053627.db2.gz	VJWWIQHDRHKAPY-UHFFFAOYSA-N	1	0	446.598	3.145	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851783	524059786	/nfs/dbraw/zinc/05/97/86/524059786.db2.gz	QPDLJKCBOLPAIZ-MTXNFPGFSA-N	1	0	435.911	3.334	50	0		IGAARO
CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2OC)CN1Cc1cccc(Cl)c1	ZINC000020911463	524089885	/nfs/dbraw/zinc/08/98/85/524089885.db2.gz	XIDIRVOGBPCQTA-PMACEKPBSA-N	1	0	431.964	3.144	50	0		IGAARO
Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000022411173	524115777	/nfs/dbraw/zinc/11/57/77/524115777.db2.gz	ZKYBZABGWXMQDC-UHFFFAOYSA-N	1	0	429.590	3.067	50	0		IGAARO
Cc1ccc(CCC(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1	ZINC000020915693	524287230	/nfs/dbraw/zinc/28/72/30/524287230.db2.gz	FBNXMSLBYLIFBC-XMMPIXPASA-N	1	0	449.595	3.465	50	0		IGAARO
Cc1ccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1	ZINC000021888146	524467710	/nfs/dbraw/zinc/46/77/10/524467710.db2.gz	GYPNCEYIVUCFIR-IBGZPJMESA-N	1	0	427.570	3.070	50	0		IGAARO
C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]2C(=O)NCCc2nc3ccccc3n2C)CC1	ZINC000012151133	524742871	/nfs/dbraw/zinc/74/28/71/524742871.db2.gz	BJHGOCISGGDAHP-TZIWHRDSSA-N	1	0	431.584	3.360	50	0		IGAARO
COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1	ZINC000012420242	524838523	/nfs/dbraw/zinc/83/85/23/524838523.db2.gz	UJDYJRIWYRIFEB-FQEVSTJZSA-N	1	0	434.964	3.365	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CN2CCOC2=O)CC1	ZINC000012318201	525136898	/nfs/dbraw/zinc/13/68/98/525136898.db2.gz	UWDMYZWANRPUNL-UHFFFAOYSA-N	1	0	436.556	3.083	50	0		IGAARO
COc1ccc([C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)N2CCOCC2)cc1	ZINC000245284161	525361137	/nfs/dbraw/zinc/36/11/37/525361137.db2.gz	QDHVRJOFGZJHSY-RZFJZAQRSA-N	1	0	440.584	3.113	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cc1C	ZINC000012794844	525519019	/nfs/dbraw/zinc/51/90/19/525519019.db2.gz	IMQJTMCXBYOMRP-FQEVSTJZSA-N	1	0	449.642	3.185	50	0		IGAARO
O=C(CCC1CCCCC1)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1	ZINC000012577475	526405036	/nfs/dbraw/zinc/40/50/36/526405036.db2.gz	SHFQBNRGBOMNCI-HSZRJFAPSA-N	1	0	433.637	3.345	50	0		IGAARO
O=C([C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCSCC1	ZINC000035870703	526569034	/nfs/dbraw/zinc/56/90/34/526569034.db2.gz	NUZUJBZGCYFDJB-GMAHTHKFSA-N	1	0	425.573	3.264	50	0		IGAARO
O=C(CCn1cccn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012586429	526673984	/nfs/dbraw/zinc/67/39/84/526673984.db2.gz	UHMFXLWPBJGDTK-JOCHJYFZSA-N	1	0	428.552	3.332	50	0		IGAARO
O=C(COCc1cc(-c2cccs2)on1)NCCCN1CCC([NH+]2CCCCC2)CC1	ZINC000020479894	526939314	/nfs/dbraw/zinc/93/93/14/526939314.db2.gz	LUQPZQWJBIQJKD-UHFFFAOYSA-N	1	0	446.617	3.376	50	0		IGAARO
O=C(Nc1ccnn1C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1)[C@H]1CCOC1	ZINC000012210638	527459204	/nfs/dbraw/zinc/45/92/04/527459204.db2.gz	KZQRVMMNPOLWEW-NRFANRHFSA-N	1	0	437.588	3.160	50	0		IGAARO
CCOC(=O)c1c(C)n(C[C@H](O)C[NH2+]C(C)C)c2cc(Br)c(OC)cc21	ZINC000001228257	555686224	/nfs/dbraw/zinc/68/62/24/555686224.db2.gz	PSQKGIFUJXSCLW-CYBMUJFWSA-N	1	0	427.339	3.256	50	0		IGAARO
CN1C(=O)C(=C2C=C(c3ccccc3)N(CCC[NH+](C)C)C3=C2CCCC3)C(=O)N(C)C1=O	ZINC000002692971	556120529	/nfs/dbraw/zinc/12/05/29/556120529.db2.gz	KKCPBTLTCSTOJY-UHFFFAOYSA-N	1	0	448.567	3.470	50	0		IGAARO
COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccccc1F	ZINC000009488148	556294418	/nfs/dbraw/zinc/29/44/18/556294418.db2.gz	QSPMUGIUDDKZJF-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
O=C(Cc1c(F)cc(F)cc1F)NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1	ZINC000011790231	556355413	/nfs/dbraw/zinc/35/54/13/556355413.db2.gz	BVJOFNXSCCJNEH-GOSISDBHSA-N	1	0	433.474	3.371	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cccs1	ZINC000032795391	556357823	/nfs/dbraw/zinc/35/78/23/556357823.db2.gz	MFBUVQDTTXKTGI-BBRMVZONSA-N	1	0	436.375	3.283	50	0		IGAARO
CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)CC1	ZINC000014093191	556365797	/nfs/dbraw/zinc/36/57/97/556365797.db2.gz	QDHVWWBNIYBKBD-IBGZPJMESA-N	1	0	435.615	3.201	50	0		IGAARO
O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2cccn2-c2ncccn2)CC1	ZINC000012030642	556388574	/nfs/dbraw/zinc/38/85/74/556388574.db2.gz	NVGZHZONWHVQPD-UHFFFAOYSA-N	1	0	427.512	3.304	50	0		IGAARO
CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccc(OCCO)cc1)CC2	ZINC000014532040	556421005	/nfs/dbraw/zinc/42/10/05/556421005.db2.gz	QYRFJSNMQPYASX-UHFFFAOYSA-N	1	0	431.577	3.111	50	0		IGAARO
COc1ccc(Br)cc1CN1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000032865326	556450493	/nfs/dbraw/zinc/45/04/93/556450493.db2.gz	KFQLDDWYZQUDCQ-UHFFFAOYSA-N	1	0	445.404	3.462	50	0		IGAARO
CCN1CC[NH+](C2(CNC(=O)COc3ccc(Br)cc3)CCCCC2)CC1	ZINC000028403036	556453758	/nfs/dbraw/zinc/45/37/58/556453758.db2.gz	COGFHVUFEDKOMH-UHFFFAOYSA-N	1	0	438.410	3.285	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)[NH+]2CCCCC2)cc1	ZINC000013112704	556465546	/nfs/dbraw/zinc/46/55/46/556465546.db2.gz	ILUCSWJVKLAYSK-QFIPXVFZSA-N	1	0	435.524	3.306	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC000014994120	556476840	/nfs/dbraw/zinc/47/68/40/556476840.db2.gz	HYROXLPAZRQKBT-QFIPXVFZSA-N	1	0	448.571	3.257	50	0		IGAARO
Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(OC(C)C)cc2)CC3)cc1	ZINC000014997721	556478696	/nfs/dbraw/zinc/47/86/96/556478696.db2.gz	PLHUXLAKZYEFJF-UHFFFAOYSA-N	1	0	447.583	3.405	50	0		IGAARO
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](C[C@H]5CC=CCC5)CC4)c3C2=O)n1	ZINC000015007665	556482243	/nfs/dbraw/zinc/48/22/43/556482243.db2.gz	IMTBQMOZJIGTQQ-NRFANRHFSA-N	1	0	447.583	3.274	50	0		IGAARO
COc1ccc([C@H]2[C@H](COC(=O)CCn3cnc4ccccc4c3=O)CCC[N@@H+]2C)cc1	ZINC000072289687	556484229	/nfs/dbraw/zinc/48/42/29/556484229.db2.gz	SBROSZQWWFPFKH-CYFREDJKSA-N	1	0	435.524	3.422	50	0		IGAARO
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]3CCCC[C@H]32)c(Cl)cc1Cl	ZINC000015023570	556488443	/nfs/dbraw/zinc/48/84/43/556488443.db2.gz	RCTJTKDCQITONR-AFAVFJNCSA-N	1	0	448.416	3.236	50	0		IGAARO
C[C@@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C[C@H](C)O1	ZINC000015077342	556499529	/nfs/dbraw/zinc/49/95/29/556499529.db2.gz	FVWRYJUSWOFDBS-BGYRXZFFSA-N	1	0	439.604	3.034	50	0		IGAARO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1	ZINC000030666178	556501303	/nfs/dbraw/zinc/50/13/03/556501303.db2.gz	CIEOTPQTBMHXQR-NZQKXSOJSA-N	1	0	432.996	3.029	50	0		IGAARO
O=C(Nc1cccc(C[NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl	ZINC000030665874	556501356	/nfs/dbraw/zinc/50/13/56/556501356.db2.gz	WXEXKFCMHZJHBU-WMZHIEFXSA-N	1	0	443.975	3.419	50	0		IGAARO
O=C(Nc1cccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl	ZINC000030665871	556501367	/nfs/dbraw/zinc/50/13/67/556501367.db2.gz	WXEXKFCMHZJHBU-CVDCTZTESA-N	1	0	443.975	3.419	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CC[NH+](C)CC1)c1ccccc1S2	ZINC000030690433	556501981	/nfs/dbraw/zinc/50/19/81/556501981.db2.gz	GFBKORZTTCHDGY-UWVJOHFNSA-N	1	0	443.638	3.471	50	0	fda	IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000013572228	556522854	/nfs/dbraw/zinc/52/28/54/556522854.db2.gz	AUMOASYVBRCJJE-UAKAABGRSA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1cc(=O)c(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)nn1-c1ccccc1F	ZINC000072306396	556559875	/nfs/dbraw/zinc/55/98/75/556559875.db2.gz	UOKMXUBLNPJQDB-UHFFFAOYSA-N	1	0	432.499	3.479	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009623	556573674	/nfs/dbraw/zinc/57/36/74/556573674.db2.gz	JPWVYQNPKQTGBS-KKPNIWNPSA-N	1	0	429.520	3.297	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21	ZINC000016012611	556574176	/nfs/dbraw/zinc/57/41/76/556574176.db2.gz	LYQARSBUUHENRK-DVSDUFGPSA-N	1	0	447.988	3.065	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21	ZINC000016033788	556577047	/nfs/dbraw/zinc/57/70/47/556577047.db2.gz	XNGIQKMHLZKXQB-QILISPFLSA-N	1	0	425.488	3.421	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000016033608	556577092	/nfs/dbraw/zinc/57/70/92/556577092.db2.gz	LCYCYKCRGGTNNL-VKDGWMQASA-N	1	0	435.911	3.186	50	0		IGAARO
CC[NH+](CC)CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1	ZINC000005100403	556634727	/nfs/dbraw/zinc/63/47/27/556634727.db2.gz	IXKNFBRWTXEDGS-CAPFRKAQSA-N	1	0	426.513	3.360	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1	ZINC000409414819	556640487	/nfs/dbraw/zinc/64/04/87/556640487.db2.gz	OYAHLUCCWAKOQL-UCKMRUJXSA-N	1	0	441.616	3.336	50	0		IGAARO
COc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)cc1	ZINC000037555516	556644453	/nfs/dbraw/zinc/64/44/53/556644453.db2.gz	GJFQGPLVSDHTNQ-UHFFFAOYSA-N	1	0	435.524	3.356	50	0		IGAARO
COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1	ZINC000018223027	556687677	/nfs/dbraw/zinc/68/76/77/556687677.db2.gz	UTGUYCBOLFTNOE-LJQANCHMSA-N	1	0	442.313	3.403	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000253389834	556696913	/nfs/dbraw/zinc/69/69/13/556696913.db2.gz	OITGREQAXLVEJB-KEXUJGGDSA-N	1	0	439.874	3.219	50	0		IGAARO
COCc1nnc(C(=O)Nc2ccc(C(=O)NCC[C@@H](C)[NH+]3CCCCCC3)cc2)s1	ZINC000033032189	556712532	/nfs/dbraw/zinc/71/25/32/556712532.db2.gz	ZJTWMDXCHWYDES-MRXNPFEDSA-N	1	0	445.589	3.321	50	0		IGAARO
C[C@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Br)c1)c1ccccc1	ZINC000033032595	556712874	/nfs/dbraw/zinc/71/28/74/556712874.db2.gz	NHLWJJJBMLUAKZ-QGZVFWFLSA-N	1	0	444.373	3.127	50	0		IGAARO
Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000060359666	556732101	/nfs/dbraw/zinc/73/21/01/556732101.db2.gz	KOCIFHMGJPGBLR-LJQANCHMSA-N	1	0	428.602	3.408	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c(OC)c1OC	ZINC000055060475	556732966	/nfs/dbraw/zinc/73/29/66/556732966.db2.gz	UGUSTDIJCNGEDP-FQEVSTJZSA-N	1	0	439.556	3.139	50	0		IGAARO
CC[NH+](CC)CC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055061065	556733649	/nfs/dbraw/zinc/73/36/49/556733649.db2.gz	CAOBXIRMXXWLML-FQEVSTJZSA-N	1	0	426.527	3.160	50	0		IGAARO
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1	ZINC000019372214	556748828	/nfs/dbraw/zinc/74/88/28/556748828.db2.gz	KPJNZJLCFSJFFZ-UHFFFAOYSA-N	1	0	432.952	3.497	50	0		IGAARO
CCOC(=O)c1sc(NC(=O)N2CC[NH+](CC(C)C)CC2)c(C(=O)OCC)c1C	ZINC000058019097	556754557	/nfs/dbraw/zinc/75/45/57/556754557.db2.gz	ZFTVYBQDTVOLHY-UHFFFAOYSA-N	1	0	425.551	3.215	50	0		IGAARO
COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](COCc3ccccc3)C2)cc1OC	ZINC000062161801	556797916	/nfs/dbraw/zinc/79/79/16/556797916.db2.gz	CWRUCXPZVJHWHY-JOCHJYFZSA-N	1	0	426.557	3.291	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1	ZINC000033061952	556817452	/nfs/dbraw/zinc/81/74/52/556817452.db2.gz	LINRQJMPISGSEU-OAHLLOKOSA-N	1	0	433.553	3.243	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCC[NH+]1CCCCCC1	ZINC000033062167	556817904	/nfs/dbraw/zinc/81/79/04/556817904.db2.gz	QZXVZWMIKCNWCK-UHFFFAOYSA-N	1	0	435.981	3.369	50	0		IGAARO
Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C2CCCC2)CC1	ZINC000019607641	556831405	/nfs/dbraw/zinc/83/14/05/556831405.db2.gz	LDZZJXNVCXZVBW-UHFFFAOYSA-N	1	0	438.572	3.123	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2	ZINC000019731331	556876720	/nfs/dbraw/zinc/87/67/20/556876720.db2.gz	DVPIEXPWFXWCBD-UHFFFAOYSA-N	1	0	437.540	3.228	50	0		IGAARO
CC(=O)N(CC[NH+]1CCCCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1	ZINC000004708879	556888727	/nfs/dbraw/zinc/88/87/27/556888727.db2.gz	BGLKUPUYHLXRRX-UHFFFAOYSA-N	1	0	425.573	3.494	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@H+](C)Cc4ccccc4)C3)n2)cc1	ZINC000033249504	556889388	/nfs/dbraw/zinc/88/93/88/556889388.db2.gz	RSXBUYYUFDIUSW-NRFANRHFSA-N	1	0	449.555	3.210	50	0		IGAARO
C[N@H+](CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)C1CCCCC1	ZINC000033256200	556895222	/nfs/dbraw/zinc/89/52/22/556895222.db2.gz	XSFUFXRIFFIZQQ-UHFFFAOYSA-N	1	0	442.652	3.454	50	0		IGAARO
CC[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2OC)CC1	ZINC000019796760	556916226	/nfs/dbraw/zinc/91/62/26/556916226.db2.gz	ANFZZRFFPNAWOP-QFIPXVFZSA-N	1	0	434.540	3.459	50	0		IGAARO
Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(N2CCCCC2)n1	ZINC000020018808	556963543	/nfs/dbraw/zinc/96/35/43/556963543.db2.gz	SMVLLCWSCRQDHM-UHFFFAOYSA-N	1	0	443.599	3.351	50	0		IGAARO
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000097124296	556991069	/nfs/dbraw/zinc/99/10/69/556991069.db2.gz	NPNTUNSULRHAIW-UHFFFAOYSA-N	1	0	436.959	3.194	50	0		IGAARO
COC(=O)c1cn([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)nn1	ZINC000097138177	556991586	/nfs/dbraw/zinc/99/15/86/556991586.db2.gz	AFAOAPNTATWMIU-NRFANRHFSA-N	1	0	428.496	3.364	50	0		IGAARO
C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O	ZINC000032944851	557027779	/nfs/dbraw/zinc/02/77/79/557027779.db2.gz	CEKJLOUPJABVCR-OAHLLOKOSA-N	1	0	432.446	3.225	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@H](NCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1	ZINC000022943423	557054361	/nfs/dbraw/zinc/05/43/61/557054361.db2.gz	DFDPHQXJPPEZEL-DEOSSOPVSA-N	1	0	435.568	3.262	50	0		IGAARO
CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1	ZINC000048301265	557062652	/nfs/dbraw/zinc/06/26/52/557062652.db2.gz	YLJSHGDATJXTKI-HXUWFJFHSA-N	1	0	433.512	3.445	50	0		IGAARO
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000048326030	557066643	/nfs/dbraw/zinc/06/66/43/557066643.db2.gz	HYYMHAHRQRUQFN-HXUWFJFHSA-N	1	0	434.606	3.343	50	0		IGAARO
Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)c12	ZINC000023318722	557083791	/nfs/dbraw/zinc/08/37/91/557083791.db2.gz	FBPRUPSDWKKWLP-UHFFFAOYSA-N	1	0	448.552	3.337	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)NCc3ccc(C)cc3)c(=O)c2C1	ZINC000049400679	557096119	/nfs/dbraw/zinc/09/61/19/557096119.db2.gz	VBFPFBOZSSTIQH-UHFFFAOYSA-N	1	0	434.515	3.052	50	0		IGAARO
Cc1nc2c(c(=O)n1CC(=O)N[C@H](C)CCc1ccccc1)C[N@H+](Cc1ccccc1)CC2	ZINC000049400805	557096374	/nfs/dbraw/zinc/09/63/74/557096374.db2.gz	WLUAERNNQMKRGE-HXUWFJFHSA-N	1	0	444.579	3.248	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@@H](CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)C1	ZINC000023702701	557108311	/nfs/dbraw/zinc/10/83/11/557108311.db2.gz	XYFNMYZZEQWBKH-LJQANCHMSA-N	1	0	441.663	3.484	50	0		IGAARO
Cn1c2ccccc2n(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1=O	ZINC000024923421	557179114	/nfs/dbraw/zinc/17/91/14/557179114.db2.gz	AQIPDWHHERZOAP-NRFANRHFSA-N	1	0	426.948	3.337	50	0		IGAARO
O=C(CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCCC1	ZINC000025129970	557196162	/nfs/dbraw/zinc/19/61/62/557196162.db2.gz	JGSXMBAJFJOFHJ-QFIPXVFZSA-N	1	0	448.611	3.176	50	0		IGAARO
Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1-c1ccc(Br)cc1	ZINC000025472521	557211874	/nfs/dbraw/zinc/21/18/74/557211874.db2.gz	IVQPLPGHZPKPFG-GOSISDBHSA-N	1	0	435.366	3.030	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1	ZINC000026567091	557245079	/nfs/dbraw/zinc/24/50/79/557245079.db2.gz	XGPKKBIOXBDGDZ-HSZRJFAPSA-N	1	0	446.551	3.320	50	0		IGAARO
O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000022919465	557273219	/nfs/dbraw/zinc/27/32/19/557273219.db2.gz	CIEBHHIKAFBYDC-UHFFFAOYSA-N	1	0	442.563	3.488	50	0		IGAARO
O=C1C[C@H]([NH2+]C2CCN(c3ncc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1	ZINC000101163741	557284187	/nfs/dbraw/zinc/28/41/87/557284187.db2.gz	BMSCKVPKDKRVPK-KRWDZBQOSA-N	1	0	437.302	3.418	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2	ZINC000097943959	557453739	/nfs/dbraw/zinc/45/37/39/557453739.db2.gz	WXSFUHIEUOZJDB-JOCHJYFZSA-N	1	0	435.503	3.083	50	0		IGAARO
C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000103008193	557458665	/nfs/dbraw/zinc/45/86/65/557458665.db2.gz	ZKLSTLYBTHUDFT-VLFLLPOHSA-N	1	0	437.499	3.226	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12	ZINC000105795520	557510842	/nfs/dbraw/zinc/51/08/42/557510842.db2.gz	XNGIQKMHLZKXQB-MSZDEVHKSA-N	1	0	425.488	3.421	50	0		IGAARO
Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c2)n1	ZINC000107148816	557534862	/nfs/dbraw/zinc/53/48/62/557534862.db2.gz	GDMHGZPAMCLMGT-URXFXBBRSA-N	1	0	433.556	3.494	50	0		IGAARO
CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)ccc1Br	ZINC000027995952	557639860	/nfs/dbraw/zinc/63/98/60/557639860.db2.gz	NUFQYHQYSPFYQI-UHFFFAOYSA-N	1	0	428.190	3.222	50	0		IGAARO
O=C(NCCN1CCOCC1)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1	ZINC000225513070	557733028	/nfs/dbraw/zinc/73/30/28/557733028.db2.gz	COESLXCYTFKJHU-AYRHNUGRSA-N	1	0	448.611	3.071	50	0		IGAARO
COc1ccccc1N1CC[C@H](C)[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000225613977	557752173	/nfs/dbraw/zinc/75/21/73/557752173.db2.gz	RORCLUFFRQWGFO-IBGZPJMESA-N	1	0	432.586	3.468	50	0		IGAARO
COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC[NH2+]CCO)CCCC4)cc1	ZINC000003318532	562934149	/nfs/dbraw/zinc/93/41/49/562934149.db2.gz	WXYUAFFDKDQUJD-UHFFFAOYSA-N	1	0	431.583	3.009	50	0		IGAARO
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+](CC)Cc3ccccc3)ccc21	ZINC000004076030	562941451	/nfs/dbraw/zinc/94/14/51/562941451.db2.gz	ZGPAXPPCONQLSQ-UHFFFAOYSA-N	1	0	429.586	3.176	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000008876199	562965611	/nfs/dbraw/zinc/96/56/11/562965611.db2.gz	YSVZAGBIFSWTAJ-UHFFFAOYSA-N	1	0	444.041	3.273	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1	ZINC000020414983	563024660	/nfs/dbraw/zinc/02/46/60/563024660.db2.gz	VUYZIMUOMAGNFR-UHFFFAOYSA-N	1	0	429.634	3.434	50	0		IGAARO
C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000106135550	568625031	/nfs/dbraw/zinc/62/50/31/568625031.db2.gz	QEGALPRRMDKWHL-KZNAEPCWSA-N	1	0	438.638	3.054	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1)N1CCC[C@H](CO)C1	ZINC000299755333	568755237	/nfs/dbraw/zinc/75/52/37/568755237.db2.gz	HQZSSQBZBBZALV-NRFANRHFSA-N	1	0	439.575	3.471	50	0		IGAARO
COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCC[NH+]3CCCC3)c2C2CC2)n1	ZINC000299790294	568757772	/nfs/dbraw/zinc/75/77/72/568757772.db2.gz	BOURMXSAXWPDJP-UHFFFAOYSA-N	1	0	432.528	3.041	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1	ZINC000032106070	568781297	/nfs/dbraw/zinc/78/12/97/568781297.db2.gz	XUPPVXHPISOFNE-FQEVSTJZSA-N	1	0	425.960	3.469	50	0		IGAARO
COC(=O)c1ccccc1Sc1ccc(OCCCN2CC[NH+](CCO)CC2)cc1	ZINC000045068723	568843116	/nfs/dbraw/zinc/84/31/16/568843116.db2.gz	HNAQDPXNLUWDBL-UHFFFAOYSA-N	1	0	430.570	3.003	50	0		IGAARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015999198	568862320	/nfs/dbraw/zinc/86/23/20/568862320.db2.gz	WFDQUOKRUGEQJS-IMIIHFCZSA-N	1	0	429.520	3.149	50	0		IGAARO
C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)C[C@H](C)O1	ZINC000229832561	568887161	/nfs/dbraw/zinc/88/71/61/568887161.db2.gz	NMXWROZLTYVJFJ-NMNFXAFOSA-N	1	0	440.588	3.333	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245242283	568913266	/nfs/dbraw/zinc/91/32/66/568913266.db2.gz	VBOJFGGJQAXEHP-FYBXHKAZSA-N	1	0	429.520	3.297	50	0		IGAARO
C[NH+](C)CC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1	ZINC000089314206	568920729	/nfs/dbraw/zinc/92/07/29/568920729.db2.gz	MSFLRODFYMBAAK-UHFFFAOYSA-N	1	0	442.025	3.365	50	0		IGAARO
O=C([C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12)N1CCSCC1	ZINC000035870702	568930787	/nfs/dbraw/zinc/93/07/87/568930787.db2.gz	NUZUJBZGCYFDJB-FYYLOGMGSA-N	1	0	425.573	3.264	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2	ZINC000064611305	568939924	/nfs/dbraw/zinc/93/99/24/568939924.db2.gz	JWDSMTWVEXFHGQ-SFHVURJKSA-N	1	0	427.570	3.042	50	0		IGAARO
CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1	ZINC000036095896	568951614	/nfs/dbraw/zinc/95/16/14/568951614.db2.gz	HWCJLQJZPFTAJY-IBGZPJMESA-N	1	0	445.512	3.139	50	0		IGAARO
CCCC(=O)OC[C@@H](O)C[NH2+][C@@H](c1nc(-c2ccc(Br)cc2)no1)C(C)C	ZINC000036155069	568964731	/nfs/dbraw/zinc/96/47/31/568964731.db2.gz	ZSVZIEADNQEUKD-DOTOQJQBSA-N	1	0	440.338	3.490	50	0		IGAARO
Cc1ccc(F)cc1NC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1	ZINC000064836092	568969251	/nfs/dbraw/zinc/96/92/51/568969251.db2.gz	HBEVEJARQKSBLL-UHFFFAOYSA-N	1	0	445.498	3.291	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12	ZINC000169681114	568991459	/nfs/dbraw/zinc/99/14/59/568991459.db2.gz	MBODUVIILKBRNA-UHFFFAOYSA-N	1	0	443.551	3.303	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2)CC1	ZINC000036341229	569079204	/nfs/dbraw/zinc/07/92/04/569079204.db2.gz	QOXGLCUKXAYSJY-DEOSSOPVSA-N	1	0	436.556	3.019	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2)CC1	ZINC000036341638	569079293	/nfs/dbraw/zinc/07/92/93/569079293.db2.gz	TWCJMQBJRNMQTR-HSZRJFAPSA-N	1	0	436.556	3.019	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)C(C)C)cc2)CC1	ZINC000065026937	569090168	/nfs/dbraw/zinc/09/01/68/569090168.db2.gz	NAJBNVNXRXLKPR-UHFFFAOYSA-N	1	0	448.611	3.266	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)CC1	ZINC000065025812	569090780	/nfs/dbraw/zinc/09/07/80/569090780.db2.gz	PMIDCTFGTSYUPB-UHFFFAOYSA-N	1	0	436.604	3.256	50	0		IGAARO
C[C@@H](CCNC(=O)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1)[NH+]1CCCCCC1	ZINC000065111867	569107782	/nfs/dbraw/zinc/10/77/82/569107782.db2.gz	MYIUZBPKXGWIPH-AWEZNQCLSA-N	1	0	447.923	3.064	50	0		IGAARO
COC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	ZINC000524731824	569126577	/nfs/dbraw/zinc/12/65/77/569126577.db2.gz	LUCSLKHDZTYDEB-OAQYLSRUSA-N	1	0	435.476	3.304	50	0		IGAARO
C[N@H+](CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)Cc1ccccc1	ZINC000036717827	569136895	/nfs/dbraw/zinc/13/68/95/569136895.db2.gz	MKMOOTKEMKOKBC-QHCPKHFHSA-N	1	0	431.536	3.485	50	0		IGAARO
C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H](c1ccccc1)[NH+](C)C	ZINC000170606617	569144360	/nfs/dbraw/zinc/14/43/60/569144360.db2.gz	BJDFDRUOCUMSMI-VGSWGCGISA-N	1	0	438.553	3.304	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1)C(C)=O	ZINC000037276317	569145273	/nfs/dbraw/zinc/14/52/73/569145273.db2.gz	UUXWJLWDEHYVND-WIOPSUGQSA-N	1	0	426.557	3.414	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCCNC(=O)c1ccsc1	ZINC000089977221	569169463	/nfs/dbraw/zinc/16/94/63/569169463.db2.gz	XZHHZAGLYHFFLS-HXUWFJFHSA-N	1	0	429.586	3.477	50	0		IGAARO
Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH+]1	ZINC000017012865	569170570	/nfs/dbraw/zinc/17/05/70/569170570.db2.gz	MOHAASRNKLMPIR-UHFFFAOYSA-N	1	0	437.569	3.049	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000002102541	569179886	/nfs/dbraw/zinc/17/98/86/569179886.db2.gz	MWPMSHAXOHRZSG-VGUVQKNXSA-N	1	0	439.596	3.341	50	0		IGAARO
O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000252443945	569183831	/nfs/dbraw/zinc/18/38/31/569183831.db2.gz	AOVXLKFCLQDBIE-PMACEKPBSA-N	1	0	446.551	3.025	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1	ZINC000002154991	569187473	/nfs/dbraw/zinc/18/74/73/569187473.db2.gz	ZXBPYNJHTIRHRM-UEGMZIPHSA-N	1	0	440.584	3.102	50	0		IGAARO
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nc[nH]n2)c1	ZINC000252511389	569188766	/nfs/dbraw/zinc/18/87/66/569188766.db2.gz	GHCKXYCOYPZDMC-XUVXKRRUSA-N	1	0	427.549	3.366	50	0		IGAARO
Cc1cn([C@@H](C)C(=O)NCC[NH+](C)C)/c(=N/C(=O)c2ccc(Cl)cc2Cl)s1	ZINC000037428513	569195968	/nfs/dbraw/zinc/19/59/68/569195968.db2.gz	SLEXHNOUHQXMQT-PLGGJAHISA-N	1	0	429.373	3.145	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000037524392	569198509	/nfs/dbraw/zinc/19/85/09/569198509.db2.gz	KIMGMHWFRLGICQ-NFBKMPQASA-N	1	0	432.511	3.302	50	0		IGAARO
COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)c1	ZINC000581819743	569211605	/nfs/dbraw/zinc/21/16/05/569211605.db2.gz	HAUVUOWHCWWRJH-QHCPKHFHSA-N	1	0	443.632	3.052	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000253394045	569264380	/nfs/dbraw/zinc/26/43/80/569264380.db2.gz	XRIBIFLLYHAMCH-LNLFQRSKSA-N	1	0	442.025	3.025	50	0		IGAARO
O[C@H](C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1)[C@@H]1CCCO1	ZINC000079076708	569324755	/nfs/dbraw/zinc/32/47/55/569324755.db2.gz	GLLOHZQSJYBFEF-MOPGFXCFSA-N	1	0	428.533	3.159	50	0		IGAARO
COc1ccc(/C=C2\Sc3ccc(C(=O)NCC[NH+](C)C)cc3N(C)C2=O)cc1OC	ZINC000020180194	569354993	/nfs/dbraw/zinc/35/49/93/569354993.db2.gz	UUMPPPCTCFPOPE-BKUYFWCQSA-N	1	0	441.553	3.105	50	0		IGAARO
O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000095459459	569369458	/nfs/dbraw/zinc/36/94/58/569369458.db2.gz	WUBJVUAAJKUNFV-FQEVSTJZSA-N	1	0	444.583	3.281	50	0		IGAARO
C[NH+]1CCC(CCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000095481687	569374022	/nfs/dbraw/zinc/37/40/22/569374022.db2.gz	DEUJONNHTPPLPI-UHFFFAOYSA-N	1	0	429.586	3.115	50	0		IGAARO
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@H]4CC[N@H+](C)[C@@H]4c4cccs4)c3)cc21	ZINC000095945810	569375921	/nfs/dbraw/zinc/37/59/21/569375921.db2.gz	TXYCTSLNNISGRK-UTKZUKDTSA-N	1	0	447.564	3.365	50	0		IGAARO
CCOC(=O)c1[nH]c(C)c(C(=O)NC2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c1C	ZINC000096117300	569384137	/nfs/dbraw/zinc/38/41/37/569384137.db2.gz	XYHJICMDUHUVEO-UHFFFAOYSA-N	1	0	443.544	3.220	50	0		IGAARO
CCc1nc2cc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)cnc2nc1CC	ZINC000096387434	569398982	/nfs/dbraw/zinc/39/89/82/569398982.db2.gz	QCSYXVFFEUXMNP-SFHVURJKSA-N	1	0	438.620	3.357	50	0		IGAARO
CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2	ZINC000008813124	569476645	/nfs/dbraw/zinc/47/66/45/569476645.db2.gz	FYNOFZYUIFALNV-QHCPKHFHSA-N	1	0	448.633	3.021	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1	ZINC000040096777	569487543	/nfs/dbraw/zinc/48/75/43/569487543.db2.gz	QZIWKEYDZSDTKB-SFHVURJKSA-N	1	0	436.603	3.347	50	0		IGAARO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)c1	ZINC000040108708	569488532	/nfs/dbraw/zinc/48/85/32/569488532.db2.gz	BMAFLDLJFGCDPB-NRFANRHFSA-N	1	0	445.585	3.037	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC000040146736	569492311	/nfs/dbraw/zinc/49/23/11/569492311.db2.gz	GACJZPOVEFFIBV-QGZVFWFLSA-N	1	0	430.618	3.498	50	0		IGAARO
COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cs2)c1	ZINC000040356088	569499967	/nfs/dbraw/zinc/49/99/67/569499967.db2.gz	MVYBYLDTJVVRNB-OAHLLOKOSA-N	1	0	446.573	3.407	50	0		IGAARO
O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCC[N@H+](Cc1ccco1)C1CCCC1	ZINC000009211338	569511745	/nfs/dbraw/zinc/51/17/45/569511745.db2.gz	PODGPQHOWXLFJC-UHFFFAOYSA-N	1	0	433.512	3.032	50	0		IGAARO
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1C	ZINC000009218154	569512369	/nfs/dbraw/zinc/51/23/69/569512369.db2.gz	YNHRSYVXPBJECQ-UHFFFAOYSA-N	1	0	443.613	3.374	50	0		IGAARO
CCOc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](CC)CC)c3c2CCC3)cc1	ZINC000009745491	569565664	/nfs/dbraw/zinc/56/56/64/569565664.db2.gz	VPUQROKTAMULSG-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1	ZINC000009951361	569574434	/nfs/dbraw/zinc/57/44/34/569574434.db2.gz	YGARXTAUFDBDTL-HSZRJFAPSA-N	1	0	447.601	3.433	50	0		IGAARO
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)cc1	ZINC000009992029	569576879	/nfs/dbraw/zinc/57/68/79/569576879.db2.gz	PPTQSNQGOVADTL-QHCPKHFHSA-N	1	0	443.613	3.210	50	0		IGAARO
O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCC([NH+]2CCCCC2)CC1	ZINC000071768202	569580616	/nfs/dbraw/zinc/58/06/16/569580616.db2.gz	YIZXEWCJDHQKJO-UHFFFAOYSA-N	1	0	447.543	3.285	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C)cc2C)CC1	ZINC000004749089	132273147	/nfs/dbraw/zinc/27/31/47/132273147.db2.gz	CPGGKKARFZXWMR-UHFFFAOYSA-N	1	0	425.529	3.249	50	0		IGAARO
CS(=O)(=O)N1CCCc2cc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc21	ZINC000008324541	132281087	/nfs/dbraw/zinc/28/10/87/132281087.db2.gz	VBWYBOIXIRQIII-UHFFFAOYSA-N	1	0	433.618	3.317	50	0		IGAARO
COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)c1	ZINC000008683576	132290242	/nfs/dbraw/zinc/29/02/42/132290242.db2.gz	SKPLJHUXOHMHSH-UHFFFAOYSA-N	1	0	439.556	3.139	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(Cc2ccccc2Cl)o1	ZINC000009561247	132321506	/nfs/dbraw/zinc/32/15/06/132321506.db2.gz	UVOUKQAVKGLOTO-UHFFFAOYSA-N	1	0	439.947	3.256	50	0		IGAARO
CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc21	ZINC000010282251	132335483	/nfs/dbraw/zinc/33/54/83/132335483.db2.gz	BZCHZYGCKUZWIX-UHFFFAOYSA-N	1	0	441.597	3.315	50	0		IGAARO
O=C1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2	ZINC000011787577	132339877	/nfs/dbraw/zinc/33/98/77/132339877.db2.gz	DYVUQEFMUCXGLI-GOSISDBHSA-N	1	0	442.947	3.167	50	0		IGAARO
CC(=O)N1CCC([N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1	ZINC000020535814	519510392	/nfs/dbraw/zinc/51/03/92/519510392.db2.gz	MYAXDORBQOCXLD-QFIPXVFZSA-N	1	0	438.538	3.303	50	0		IGAARO
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2	ZINC000014531795	519719561	/nfs/dbraw/zinc/71/95/61/519719561.db2.gz	IHLXTICOWICKDP-HXUWFJFHSA-N	1	0	427.614	3.414	50	0		IGAARO
CC(C)COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1	ZINC000020953556	519763656	/nfs/dbraw/zinc/76/36/56/519763656.db2.gz	UBBXUTWBNALLPO-OAQYLSRUSA-N	1	0	437.631	3.050	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000020504024	519806738	/nfs/dbraw/zinc/80/67/38/519806738.db2.gz	TZOFWMDSZXDYBG-KEXUJGGDSA-N	1	0	441.890	3.056	50	0		IGAARO
CC1(C)CC(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC(C)(C)[NH2+]1	ZINC000012297036	520284998	/nfs/dbraw/zinc/28/49/98/520284998.db2.gz	WSJQMQLECJBGQZ-UHFFFAOYSA-N	1	0	425.577	3.051	50	0		IGAARO
CCOC(=O)C1CC[NH+]([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1	ZINC000022696839	520579207	/nfs/dbraw/zinc/57/92/07/520579207.db2.gz	VTZKTSWZKGFNGF-QFIPXVFZSA-N	1	0	428.529	3.255	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)n2C)c1	ZINC000035561089	520814383	/nfs/dbraw/zinc/81/43/83/520814383.db2.gz	BHIDUZTVACYQLQ-SFHVURJKSA-N	1	0	448.633	3.061	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1	ZINC000012456334	520871336	/nfs/dbraw/zinc/87/13/36/520871336.db2.gz	WZNWRQBPMJENMB-IBGZPJMESA-N	1	0	443.588	3.031	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)CC1	ZINC000012717384	520922405	/nfs/dbraw/zinc/92/24/05/520922405.db2.gz	MLFSLRQGRFCDGU-IBGZPJMESA-N	1	0	431.577	3.425	50	0		IGAARO
CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1	ZINC000020785145	521488065	/nfs/dbraw/zinc/48/80/65/521488065.db2.gz	BDGUYMJBGDPQGY-UHFFFAOYSA-N	1	0	433.556	3.016	50	0		IGAARO
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2	ZINC000014745282	521524608	/nfs/dbraw/zinc/52/46/08/521524608.db2.gz	NHUPYXIRKHFWMU-UHFFFAOYSA-N	1	0	429.564	3.440	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000020488480	521647213	/nfs/dbraw/zinc/64/72/13/521647213.db2.gz	SYHFENAFGBLGNC-UHFFFAOYSA-N	1	0	429.565	3.200	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc2C)CC1	ZINC000012528324	521698433	/nfs/dbraw/zinc/69/84/33/521698433.db2.gz	AXAYHROTYIQVMU-UHFFFAOYSA-N	1	0	429.586	3.248	50	0		IGAARO
COC(=O)c1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1	ZINC000012099327	522007530	/nfs/dbraw/zinc/00/75/30/522007530.db2.gz	KBJILLMFKZGJKD-QHCPKHFHSA-N	1	0	441.553	3.257	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccccc1-c1ccco1)CC2	ZINC000020996274	522016908	/nfs/dbraw/zinc/01/69/08/522016908.db2.gz	SHZDQWNNDGQMAU-UHFFFAOYSA-N	1	0	447.535	3.411	50	0		IGAARO
CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000033033985	522215460	/nfs/dbraw/zinc/21/54/60/522215460.db2.gz	PYLXTVNGLLXKSM-GOSISDBHSA-N	1	0	444.601	3.042	50	0		IGAARO
COc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1OC	ZINC000020780820	522381648	/nfs/dbraw/zinc/38/16/48/522381648.db2.gz	LNKMJBYMYOIGDV-QFIPXVFZSA-N	1	0	428.573	3.214	50	0		IGAARO
COC(C)(C)CNC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1	ZINC000020906530	522480599	/nfs/dbraw/zinc/48/05/99/522480599.db2.gz	PANPSFRAEWEHHE-UHFFFAOYSA-N	1	0	443.563	3.160	50	0		IGAARO
COC(=O)C1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1	ZINC000012307738	522913568	/nfs/dbraw/zinc/91/35/68/522913568.db2.gz	NZMPVAUDZXCXPR-UHFFFAOYSA-N	1	0	437.540	3.150	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@H]4C)C3)n2)cc1	ZINC000035325714	523298289	/nfs/dbraw/zinc/29/82/89/523298289.db2.gz	DSEXBPYKELHYPK-UYAOXDASSA-N	1	0	441.576	3.342	50	0		IGAARO
COc1ccc(-n2nc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1	ZINC000020804977	523342534	/nfs/dbraw/zinc/34/25/34/523342534.db2.gz	LHWCEYJRVJVWQR-KDURUIRLSA-N	1	0	448.567	3.492	50	0		IGAARO
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@H](C)CCn3cccn3)CC2)c1	ZINC000023620129	523628686	/nfs/dbraw/zinc/62/86/86/523628686.db2.gz	BXDJXPOXPJUELL-LJQANCHMSA-N	1	0	426.561	3.450	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2-n2cccc2SCC1=O	ZINC000021088686	524101012	/nfs/dbraw/zinc/10/10/12/524101012.db2.gz	QVZCIQQSKLIKLV-GOSISDBHSA-N	1	0	426.586	3.297	50	0		IGAARO
C[C@H](CCn1cccn1)[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21	ZINC000012313788	524266648	/nfs/dbraw/zinc/26/66/48/524266648.db2.gz	SMYRWXBUZVPMHD-GOSISDBHSA-N	1	0	436.585	3.475	50	0		IGAARO
COc1ccccc1-n1nc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2c1=O	ZINC000020804834	524308307	/nfs/dbraw/zinc/30/83/07/524308307.db2.gz	SEVSZVKNRPLLFX-OALUTQOASA-N	1	0	448.567	3.492	50	0		IGAARO
C[C@H]1CN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)CC[N@@H+]1C	ZINC000022914061	524608474	/nfs/dbraw/zinc/60/84/74/524608474.db2.gz	FSONFQYQEPDMOZ-KRWDZBQOSA-N	1	0	437.975	3.322	50	0		IGAARO
COc1ccc(OC)c(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000022465998	524867571	/nfs/dbraw/zinc/86/75/71/524867571.db2.gz	BHXGZONQJYIMKS-VGOFRKELSA-N	1	0	428.602	3.367	50	0		IGAARO
COc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1OC	ZINC000021530568	525343753	/nfs/dbraw/zinc/34/37/53/525343753.db2.gz	XVGMLAPRGAGVPT-NRFANRHFSA-N	1	0	437.540	3.003	50	0		IGAARO
COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1ccc(F)cc1Cl	ZINC000020876227	526016969	/nfs/dbraw/zinc/01/69/69/526016969.db2.gz	JODAABOQXFBFDN-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
O[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1	ZINC000020908913	526313951	/nfs/dbraw/zinc/31/39/51/526313951.db2.gz	UJYYJSYILWVNPM-UIOOFZCWSA-N	1	0	428.580	3.081	50	0		IGAARO
Cc1nnsc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012579495	526439188	/nfs/dbraw/zinc/43/91/88/526439188.db2.gz	SMLDRVIYHYTFQJ-JOCHJYFZSA-N	1	0	440.613	3.347	50	0		IGAARO
O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000022804565	526775866	/nfs/dbraw/zinc/77/58/66/526775866.db2.gz	LMQLPYRWVNXWGZ-UHFFFAOYSA-N	1	0	444.579	3.433	50	0		IGAARO
O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1	ZINC000020272021	526890802	/nfs/dbraw/zinc/89/08/02/526890802.db2.gz	HJNHTWOPLWATFR-RUZDIDTESA-N	1	0	429.568	3.358	50	0		IGAARO
O=C1C[C@@H](N2CC[NH+](CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1	ZINC000022782364	527018379	/nfs/dbraw/zinc/01/83/79/527018379.db2.gz	YITIWCKTDWJYAH-OAQYLSRUSA-N	1	0	429.923	3.361	50	0		IGAARO
Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C4)cn1	ZINC000020598232	527240499	/nfs/dbraw/zinc/24/04/99/527240499.db2.gz	OHUXHHQVMOYVEG-MRXNPFEDSA-N	1	0	441.507	3.165	50	0		IGAARO
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCC[NH+]1CCOCC1	ZINC000020443368	527429329	/nfs/dbraw/zinc/42/93/29/527429329.db2.gz	LAHJISLNULJUEE-UHFFFAOYSA-N	1	0	430.512	3.141	50	0		IGAARO
O=c1c(CN2CC[NH+](CCO)CC2)cc2ccc(F)cc2n1CCSc1ccccc1	ZINC000020999223	527450835	/nfs/dbraw/zinc/45/08/35/527450835.db2.gz	DMPOSVZVRIPRCX-UHFFFAOYSA-N	1	0	441.572	3.043	50	0		IGAARO
O=C(NCCCO)c1cn(C2CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)nn1	ZINC000012150708	527679718	/nfs/dbraw/zinc/67/97/18/527679718.db2.gz	BNGDQDMVXJBREP-UHFFFAOYSA-N	1	0	443.935	3.141	50	0		IGAARO
O=C(NCCCO)c1cn(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nn1	ZINC000012456856	527679901	/nfs/dbraw/zinc/67/99/01/527679901.db2.gz	OGTQEESYOKIXHN-UHFFFAOYSA-N	1	0	435.528	3.020	50	0		IGAARO
COc1ccc(N2C(=O)c3ccccc3C(=CNNc3nc(C)cc(C)[nH+]3)C2=O)cc1OC	ZINC000003276287	536664168	/nfs/dbraw/zinc/66/41/68/536664168.db2.gz	UUAVNSVBGOCXFV-UYRXBGFRSA-N	1	0	445.479	3.255	50	0		IGAARO
OCC[NH2+]C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC000002070797	555734882	/nfs/dbraw/zinc/73/48/82/555734882.db2.gz	OXGQUYAYFRUDHS-CYBMUJFWSA-N	1	0	442.151	3.262	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740532	555883688	/nfs/dbraw/zinc/88/36/88/555883688.db2.gz	RTXOTWVFTCYHRU-OFNKIYASSA-N	1	0	432.536	3.373	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O	ZINC000034810919	555908706	/nfs/dbraw/zinc/90/87/06/555908706.db2.gz	ORXHDKUDASNBEV-QGZVFWFLSA-N	1	0	443.979	3.187	50	0		IGAARO
CC(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1	ZINC000034830388	555911582	/nfs/dbraw/zinc/91/15/82/555911582.db2.gz	AIOKFQCGFPLLAY-FDDCHVKYSA-N	1	0	425.598	3.473	50	0		IGAARO
CC[NH+](CC)CCOC(=O)c1ccc2nc(NC(=O)c3nn(C)cc3Cl)sc2c1	ZINC000003766581	555946080	/nfs/dbraw/zinc/94/60/80/555946080.db2.gz	BYOSPRMOCVVKPP-UHFFFAOYSA-N	1	0	435.937	3.434	50	0		IGAARO
Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000008396310	556163600	/nfs/dbraw/zinc/16/36/00/556163600.db2.gz	CRJCOMPMHJJFJP-DNQXCXABSA-O	1	0	445.518	3.216	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000013778074	556307753	/nfs/dbraw/zinc/30/77/53/556307753.db2.gz	ATPCUYQGOXKMIT-KANGHSEISA-N	1	0	442.302	3.425	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2cc(C)n(C)n2)c1	ZINC000011812961	556356327	/nfs/dbraw/zinc/35/63/27/556356327.db2.gz	AYXDJPPDBJPZIG-UHFFFAOYSA-N	1	0	426.561	3.453	50	0		IGAARO
CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)CC1	ZINC000014093190	556365813	/nfs/dbraw/zinc/36/58/13/556365813.db2.gz	QDHVWWBNIYBKBD-LJQANCHMSA-N	1	0	435.615	3.201	50	0		IGAARO
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](CCC(C)C)CC3)o1	ZINC000011882123	556373580	/nfs/dbraw/zinc/37/35/80/556373580.db2.gz	XFHRXNGFXJDDEG-LJQANCHMSA-N	1	0	431.581	3.439	50	0		IGAARO
Cc1ccc(-n2cc(C[NH+]3CCC(n4nccc4NC(=O)[C@H]4CCOC4)CC3)cn2)cc1	ZINC000012019874	556386767	/nfs/dbraw/zinc/38/67/67/556386767.db2.gz	KBEUQDUOPAQMTG-FQEVSTJZSA-N	1	0	434.544	3.189	50	0		IGAARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000014200467	556390836	/nfs/dbraw/zinc/39/08/36/556390836.db2.gz	OUWFJHWHXGUEEO-QHCPKHFHSA-N	1	0	441.597	3.428	50	0		IGAARO
COC(=O)CCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012049247	556391868	/nfs/dbraw/zinc/39/18/68/556391868.db2.gz	SHBIKYLGKOYBBL-NRFANRHFSA-N	1	0	434.552	3.389	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)Cc2ccc(O)cc2)CC1	ZINC000012048984	556391892	/nfs/dbraw/zinc/39/18/92/556391892.db2.gz	MOGSMPBLUQFXOM-GOSISDBHSA-N	1	0	442.556	3.251	50	0		IGAARO
COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1	ZINC000014536994	556423727	/nfs/dbraw/zinc/42/37/27/556423727.db2.gz	GRNBSWUXDHPEBJ-LEWJYISDSA-N	1	0	441.547	3.098	50	0		IGAARO
CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC	ZINC000014540413	556425196	/nfs/dbraw/zinc/42/51/96/556425196.db2.gz	HRKSLDLEESYOPQ-LJQANCHMSA-N	1	0	431.577	3.377	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3ccc(C(C)C)cc3)CC2)cc1	ZINC000013040723	556446523	/nfs/dbraw/zinc/44/65/23/556446523.db2.gz	XNLGSYPJPFDWTP-HXUWFJFHSA-N	1	0	443.613	3.302	50	0		IGAARO
COc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)n2)cc1	ZINC000028292824	556450725	/nfs/dbraw/zinc/45/07/25/556450725.db2.gz	CIZWUFIPRQAHCQ-JOCHJYFZSA-N	1	0	432.524	3.198	50	0		IGAARO
COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1	ZINC000028349593	556453120	/nfs/dbraw/zinc/45/31/20/556453120.db2.gz	OJLYAZGEIVHZTR-LPHOPBHVSA-N	1	0	428.529	3.042	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](CC[C@@H](C)c2ccccc2)CC3)cc1	ZINC000014952226	556460832	/nfs/dbraw/zinc/46/08/32/556460832.db2.gz	JOUUTJAPTLROPK-HXUWFJFHSA-N	1	0	447.583	3.311	50	0		IGAARO
Cc1cnc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1	ZINC000014970037	556466841	/nfs/dbraw/zinc/46/68/41/556466841.db2.gz	RWJZDEZFQHFWOJ-NRFANRHFSA-N	1	0	426.536	3.458	50	0		IGAARO
COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCC(C)(C)C[NH+](C)C)c3C)ncc1CC2	ZINC000014976439	556468765	/nfs/dbraw/zinc/46/87/65/556468765.db2.gz	QAIPYOZOBSBIBZ-UHFFFAOYSA-N	1	0	448.571	3.063	50	0		IGAARO
O=C(C1CCOCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014981326	556470943	/nfs/dbraw/zinc/47/09/43/556470943.db2.gz	APZWNRDAZOAMOP-VWLOTQADSA-N	1	0	426.601	3.300	50	0		IGAARO
O=c1c(C[NH2+]CCCn2ccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3	ZINC000014985396	556472322	/nfs/dbraw/zinc/47/23/22/556472322.db2.gz	QZYRZPWWKQMREY-UHFFFAOYSA-N	1	0	434.471	3.294	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(C)c1C	ZINC000014990534	556474749	/nfs/dbraw/zinc/47/47/49/556474749.db2.gz	UFTKNLWOFRVHNH-UHFFFAOYSA-N	1	0	447.583	3.243	50	0		IGAARO
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C[NH+](C)C)CC3)c2)cc1	ZINC000072284859	556475393	/nfs/dbraw/zinc/47/53/93/556475393.db2.gz	OVEXODBFPVWRGQ-UHFFFAOYSA-N	1	0	445.585	3.300	50	0		IGAARO
CCCn1ncc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C	ZINC000015072591	556497113	/nfs/dbraw/zinc/49/71/13/556497113.db2.gz	YPIBGMGJCSLAKV-UHFFFAOYSA-N	1	0	444.576	3.030	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000016009889	556573670	/nfs/dbraw/zinc/57/36/70/556573670.db2.gz	TZOFWMDSZXDYBG-KGYLXKDPSA-N	1	0	441.890	3.056	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016011854	556574193	/nfs/dbraw/zinc/57/41/93/556574193.db2.gz	OBIGQMGIFJSCJT-CMCWBKRRSA-N	1	0	435.911	3.334	50	0		IGAARO
CSc1nc(=O)[nH]c(C)c1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1	ZINC000072310202	556579237	/nfs/dbraw/zinc/57/92/37/556579237.db2.gz	OPOLIAPTQQPKSK-UHFFFAOYSA-N	1	0	436.965	3.139	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000034701062	556580859	/nfs/dbraw/zinc/58/08/59/556580859.db2.gz	QJSXYMDBXXURBE-CQAGSAPUSA-N	1	0	429.520	3.149	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O	ZINC000034811111	556582969	/nfs/dbraw/zinc/58/29/69/556582969.db2.gz	JNISMWLYBCYXNH-KRWDZBQOSA-N	1	0	443.979	3.187	50	0		IGAARO
COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1	ZINC000011104884	556597315	/nfs/dbraw/zinc/59/73/15/556597315.db2.gz	JXBDOPXMMJOIGT-UHFFFAOYSA-N	1	0	440.569	3.062	50	0		IGAARO
Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)[nH+]1	ZINC000038670740	556615374	/nfs/dbraw/zinc/61/53/74/556615374.db2.gz	FJJKFKVTXNCVJM-UHFFFAOYSA-N	1	0	443.495	3.185	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000409414557	556639767	/nfs/dbraw/zinc/63/97/67/556639767.db2.gz	MLYNEDMKHUBXSI-QZNHQXDQSA-N	1	0	427.589	3.169	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409413106	556640332	/nfs/dbraw/zinc/64/03/32/556640332.db2.gz	CNXJGIALSSQHTK-RXVVDRJESA-N	1	0	426.561	3.008	50	0		IGAARO
CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1	ZINC000033033959	556715208	/nfs/dbraw/zinc/71/52/08/556715208.db2.gz	YPWNFRHWJJKGBQ-GOSISDBHSA-N	1	0	444.601	3.042	50	0		IGAARO
COc1ccc(CN2C[C@H](OCc3ccccc3F)C[N@@H+](C3CCOCC3)CC2=O)cc1	ZINC000019224487	556716599	/nfs/dbraw/zinc/71/65/99/556716599.db2.gz	ZUSQRWMSXCHJKG-HSZRJFAPSA-N	1	0	442.531	3.243	50	0		IGAARO
Cc1cc(C)n(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)n1	ZINC000055166318	556736621	/nfs/dbraw/zinc/73/66/21/556736621.db2.gz	GWRIBCPZZOSIGZ-QFIPXVFZSA-N	1	0	429.996	3.357	50	0		IGAARO
CC1=C(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)OCCO1	ZINC000055308771	556739854	/nfs/dbraw/zinc/73/98/54/556739854.db2.gz	ZJGVZQOHKVLVAG-IBGZPJMESA-N	1	0	439.478	3.097	50	0		IGAARO
O=C(CCn1cnc2ccccc21)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055414648	556741241	/nfs/dbraw/zinc/74/12/41/556741241.db2.gz	AMUHAFGDWBKPDQ-QFIPXVFZSA-N	1	0	435.547	3.379	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000061992817	556766943	/nfs/dbraw/zinc/76/69/43/556766943.db2.gz	CCINPNZGQSKDQW-UOXXKCJCSA-N	1	0	428.548	3.233	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nc(N2CCCCC2)ncc1Cl	ZINC000058369677	556783384	/nfs/dbraw/zinc/78/33/84/556783384.db2.gz	GQWUSIPAQATBQB-UHFFFAOYSA-N	1	0	442.995	3.062	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1	ZINC000033062173	556817834	/nfs/dbraw/zinc/81/78/34/556817834.db2.gz	JKPYUJKQNDWLBE-AWEZNQCLSA-N	1	0	435.981	3.367	50	0		IGAARO
CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1	ZINC000033121198	556862828	/nfs/dbraw/zinc/86/28/28/556862828.db2.gz	HRXJXIBLSIRSOQ-UHFFFAOYSA-N	1	0	444.601	3.078	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1	ZINC000033168862	556881190	/nfs/dbraw/zinc/88/11/90/556881190.db2.gz	RGWGLUAZRMQFIV-LJQANCHMSA-N	1	0	425.602	3.446	50	0		IGAARO
Cc1c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000019838685	556928694	/nfs/dbraw/zinc/92/86/94/556928694.db2.gz	ARPPWFFZPZVPDS-RUZDIDTESA-N	1	0	445.611	3.271	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(Cl)c1	ZINC000020208034	556998368	/nfs/dbraw/zinc/99/83/68/556998368.db2.gz	UZXLVYNPBVTYKQ-UHFFFAOYSA-N	1	0	438.012	3.432	50	0		IGAARO
[NH2+]=C(NC1CC1)SCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1	ZINC000011255431	557010111	/nfs/dbraw/zinc/01/01/11/557010111.db2.gz	OFLRNGRHFUWRML-UHFFFAOYSA-N	1	0	432.141	3.368	50	0		IGAARO
COc1cc(C[N@@H+](Cc2cc(=O)n3nc(C)sc3n2)CC(C)C)cc(OC)c1OC	ZINC000046032402	557024760	/nfs/dbraw/zinc/02/47/60/557024760.db2.gz	YRQIETACVITUDQ-UHFFFAOYSA-N	1	0	432.546	3.143	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c(C)c1	ZINC000010813747	557029742	/nfs/dbraw/zinc/02/97/42/557029742.db2.gz	KRUGQTQWYZTHPN-UHFFFAOYSA-N	1	0	435.634	3.130	50	0		IGAARO
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CCCc3nc4ccccc4c(=O)[nH]3)cc2)C[C@H](C)O1	ZINC000048287893	557053676	/nfs/dbraw/zinc/05/36/76/557053676.db2.gz	UVHPVJQCDLSYRR-KDURUIRLSA-N	1	0	448.567	3.171	50	0		IGAARO
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000048312339	557066959	/nfs/dbraw/zinc/06/69/59/557066959.db2.gz	ARVIXCXXBMVDRL-INIZCTEOSA-N	1	0	427.854	3.301	50	0		IGAARO
CN1CC[N@H+](CCCNC(=O)Nc2nnc(-c3ccccn3)s2)[C@H](c2ccccc2)C1	ZINC000048331827	557069390	/nfs/dbraw/zinc/06/93/90/557069390.db2.gz	UPOSREFLCRQERC-IBGZPJMESA-N	1	0	437.573	3.100	50	0		IGAARO
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000023256843	557079476	/nfs/dbraw/zinc/07/94/76/557079476.db2.gz	NAEULDPXGBWVPF-MHZLTWQESA-N	1	0	442.563	3.425	50	0		IGAARO
C/C=C(\C)C[N@@H+]1CC[C@@H](N2CCN(c3ccccc3OC)CC2)[C@@H](CCC(=O)OC)C1	ZINC000023366951	557088419	/nfs/dbraw/zinc/08/84/19/557088419.db2.gz	AYGXMPPSNMOLLE-MBQNGLAOSA-N	1	0	429.605	3.427	50	0		IGAARO
CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+]CCOc3ccccc3OC)nc(=O)c2c1C	ZINC000023466507	557093125	/nfs/dbraw/zinc/09/31/25/557093125.db2.gz	FKMGCINHNWQCQZ-CYBMUJFWSA-N	1	0	431.514	3.208	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccccc2C(C)C)CC1	ZINC000023224713	557116326	/nfs/dbraw/zinc/11/63/26/557116326.db2.gz	NXGONNJSSPIVHW-OAQYLSRUSA-N	1	0	428.573	3.397	50	0		IGAARO
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)ccc2c1=O	ZINC000004791298	557124799	/nfs/dbraw/zinc/12/47/99/557124799.db2.gz	UUDSVGVRSZZJNH-IBGZPJMESA-N	1	0	428.577	3.264	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(C(=O)OCC(F)(F)F)CC1	ZINC000024839353	557172984	/nfs/dbraw/zinc/17/29/84/557172984.db2.gz	JCMYUDIMSMXQJY-UHFFFAOYSA-N	1	0	427.467	3.178	50	0		IGAARO
CC[NH+]1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)NCc2ccc(F)cc2)CC1	ZINC000096210540	557183227	/nfs/dbraw/zinc/18/32/27/557183227.db2.gz	IVRQVFCGICWYKQ-UHFFFAOYSA-N	1	0	437.494	3.494	50	0		IGAARO
O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1C(F)(F)F	ZINC000011697894	557235634	/nfs/dbraw/zinc/23/56/34/557235634.db2.gz	JMQBNMPYZUSDPJ-UHFFFAOYSA-N	1	0	438.435	3.024	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)CN2C(=O)CSc3ccccc32)[NH+]2CCCC2)c1	ZINC000027341387	557260621	/nfs/dbraw/zinc/26/06/21/557260621.db2.gz	XLJCIXLYSDNFBE-HXUWFJFHSA-N	1	0	425.554	3.087	50	0		IGAARO
COc1cccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCCC4)c3[O-])CC2)c1	ZINC000101371465	557278746	/nfs/dbraw/zinc/27/87/46/557278746.db2.gz	BPFXCBKFXZSZNQ-UHFFFAOYSA-N	1	0	427.545	3.052	50	0		IGAARO
COc1ccc([C@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)[NH+]2CCCC2)cc1	ZINC000014094497	557302377	/nfs/dbraw/zinc/30/23/77/557302377.db2.gz	UJTOLDIRQINYOQ-IBGZPJMESA-N	1	0	440.569	3.037	50	0		IGAARO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)C1	ZINC000103732363	557440906	/nfs/dbraw/zinc/44/09/06/557440906.db2.gz	QXCWTGWPKGMWST-PWHSHALESA-N	1	0	436.556	3.033	50	0		IGAARO
CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)CC1	ZINC000575316539	557462870	/nfs/dbraw/zinc/46/28/70/557462870.db2.gz	AIEPSNQNKFODOW-JOCHJYFZSA-N	1	0	436.600	3.415	50	0		IGAARO
CCOc1c(Br)cc(Br)cc1C[NH2+]CCCN1CCOCC1	ZINC000016688068	557475177	/nfs/dbraw/zinc/47/51/77/557475177.db2.gz	AAJLQNJMBBAZEF-UHFFFAOYSA-N	1	0	436.188	3.422	50	0		IGAARO
CC[NH+]1CCC(NC(=O)COC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1	ZINC000012043365	557525360	/nfs/dbraw/zinc/52/53/60/557525360.db2.gz	SYDDNMLIKJCZCM-UHFFFAOYSA-N	1	0	426.941	3.141	50	0		IGAARO
O=C(CN1CCCC1=O)Nc1cccc(OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1	ZINC000225511073	557732595	/nfs/dbraw/zinc/73/25/95/557732595.db2.gz	POJDPPMWHUCLOH-UHFFFAOYSA-N	1	0	435.524	3.453	50	0		IGAARO
O=C(CC[NH+]1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1)N1CCOCC1	ZINC000225844771	557784435	/nfs/dbraw/zinc/78/44/35/557784435.db2.gz	IOUCFRLTBKMWJB-UHFFFAOYSA-N	1	0	443.975	3.290	50	0		IGAARO
O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)NCCC[NH+]1CCCC1	ZINC000008933082	562966161	/nfs/dbraw/zinc/96/61/61/562966161.db2.gz	XUMSWZIYYRLHSP-UHFFFAOYSA-N	1	0	443.551	3.002	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)c(F)c3)nc1=O)CCC2	ZINC000009745682	562976504	/nfs/dbraw/zinc/97/65/04/562976504.db2.gz	ZZZUPHYKTUZERR-UHFFFAOYSA-N	1	0	432.565	3.252	50	0		IGAARO
C[NH+](C)CCCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3	ZINC000010068166	562978421	/nfs/dbraw/zinc/97/84/21/562978421.db2.gz	DXKMMFSOOCXGGN-IBGZPJMESA-N	1	0	441.509	3.150	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1)[NH+]1CCCC1	ZINC000013013561	562984179	/nfs/dbraw/zinc/98/41/79/562984179.db2.gz	QLKKAEXFJWPKSX-GMAHTHKFSA-N	1	0	435.568	3.305	50	0		IGAARO
CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1	ZINC000019229482	563022599	/nfs/dbraw/zinc/02/25/99/563022599.db2.gz	KZNZHQIXNMMFMZ-UHFFFAOYSA-N	1	0	429.586	3.368	50	0		IGAARO
CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cnc(N(C)C)s3)CC2)[C@H]1OC	ZINC000055326531	563142596	/nfs/dbraw/zinc/14/25/96/563142596.db2.gz	ADYQTLQULUNEHC-RTWAWAEBSA-N	1	0	428.602	3.339	50	0		IGAARO
O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000005938964	568738609	/nfs/dbraw/zinc/73/86/09/568738609.db2.gz	AWGLHAUAFJZOQS-LOSJGSFVSA-N	1	0	425.569	3.191	50	0		IGAARO
CCN1CCN(C(=O)c2ccc(N3CCC([N@@H+]4CCOc5ccccc5C4)CC3)cc2)CC1	ZINC000299799840	568757895	/nfs/dbraw/zinc/75/78/95/568757895.db2.gz	UFWPAGMIBRFVKY-UHFFFAOYSA-N	1	0	448.611	3.328	50	0		IGAARO
Cc1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)ccc1N1CC[NH+](C)CC1	ZINC000032495689	568811337	/nfs/dbraw/zinc/81/13/37/568811337.db2.gz	XOARULDRZAOTHM-UHFFFAOYSA-N	1	0	428.920	3.337	50	0		IGAARO
Cc1ccc(Cl)cc1N1CC[NH+](CCCNc2nn3nnnc3c3ccccc32)CC1	ZINC000015730264	568813944	/nfs/dbraw/zinc/81/39/44/568813944.db2.gz	XKPWJFVJODQBRF-UHFFFAOYSA-N	1	0	436.951	3.259	50	0		IGAARO
CC[N@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2)Cc1ccccc1	ZINC000015730997	568814341	/nfs/dbraw/zinc/81/43/41/568814341.db2.gz	FOTFNYAWWVIWRN-MRXNPFEDSA-N	1	0	433.599	3.310	50	0		IGAARO
C[NH+]1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc54)nc3)C[C@H]2CCO)CC1	ZINC000104527858	568837354	/nfs/dbraw/zinc/83/73/54/568837354.db2.gz	JKZOAGYQXHGKNK-XMMPIXPASA-N	1	0	445.611	3.260	50	0		IGAARO
CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2cccc(C)c2NC3=O)cc1	ZINC000016026875	568864667	/nfs/dbraw/zinc/86/46/67/568864667.db2.gz	QMRDWBOJBXXNFN-KNOQFWTLSA-N	1	0	433.508	3.442	50	0		IGAARO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1	ZINC000241371270	568912115	/nfs/dbraw/zinc/91/21/15/568912115.db2.gz	MLYMOVNUUHOSHB-QCKQGSCRSA-N	1	0	440.588	3.075	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245242248	568913293	/nfs/dbraw/zinc/91/32/93/568913293.db2.gz	QPDLJKCBOLPAIZ-AZXNSQLWSA-N	1	0	435.911	3.334	50	0		IGAARO
CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COC	ZINC000036309391	568995967	/nfs/dbraw/zinc/99/59/67/568995967.db2.gz	HOORLYAXGUIDQJ-FPOVZHCZSA-N	1	0	446.613	3.199	50	0		IGAARO
C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1	ZINC000006806062	568996446	/nfs/dbraw/zinc/99/64/46/568996446.db2.gz	QQRAPILVPZAQCR-GUDVDZBRSA-N	1	0	430.622	3.314	50	0		IGAARO
Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC[NH+](C)C)C(=O)c2ccco2)c1	ZINC000036314322	568998332	/nfs/dbraw/zinc/99/83/32/568998332.db2.gz	BYUKIAYJUZWXEZ-UHFFFAOYSA-N	1	0	438.528	3.284	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(-c3ccc(NCc4ccccc4)nn3)cc2)CC1	ZINC000064989275	569083065	/nfs/dbraw/zinc/08/30/65/569083065.db2.gz	DVCCIFAAMKIMPM-UHFFFAOYSA-N	1	0	444.583	3.123	50	0		IGAARO
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CC[NH+](CC)CC4)cc3)ccc21	ZINC000065026881	569089970	/nfs/dbraw/zinc/08/99/70/569089970.db2.gz	LMJGAEBLRLYIDH-UHFFFAOYSA-N	1	0	434.584	3.020	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)CC1	ZINC000065062961	569097683	/nfs/dbraw/zinc/09/76/83/569097683.db2.gz	PUSGLCMUADBJOP-UHFFFAOYSA-N	1	0	425.558	3.141	50	0		IGAARO
O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065256155	569123140	/nfs/dbraw/zinc/12/31/40/569123140.db2.gz	WFQSGOQRVGNJOB-XMMPIXPASA-N	1	0	445.542	3.334	50	0		IGAARO
C[C@@H](Oc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cn1)c1ccccc1	ZINC000065563922	569139297	/nfs/dbraw/zinc/13/92/97/569139297.db2.gz	ALDLENVRDOTINB-LJQANCHMSA-N	1	0	431.540	3.298	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000014333793	569158691	/nfs/dbraw/zinc/15/86/91/569158691.db2.gz	KYEWLNMCNVWEKF-KNQAVFIVSA-N	1	0	425.504	3.076	50	0		IGAARO
COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1OC	ZINC000252444269	569183819	/nfs/dbraw/zinc/18/38/19/569183819.db2.gz	GVXZFEGRBLJCNN-KSFYIVLOSA-N	1	0	429.542	3.413	50	0		IGAARO
C[NH+]1CCN(c2nc3nn(-c4cc(F)ccc4F)c(N)c3c(-c3cccc(F)c3)n2)CC1	ZINC000037376358	569185608	/nfs/dbraw/zinc/18/56/08/569185608.db2.gz	ZXXPQGLHFKNZLK-UHFFFAOYSA-N	1	0	439.445	3.234	50	0		IGAARO
Brc1ccc([C@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1	ZINC000252510624	569188590	/nfs/dbraw/zinc/18/85/90/569188590.db2.gz	AUXAODPUCOYIMH-CUWPLCDZSA-N	1	0	435.362	3.458	50	0		IGAARO
CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	ZINC000252587311	569191580	/nfs/dbraw/zinc/19/15/80/569191580.db2.gz	XJLVBEJGGDSBOL-KSEOMHKRSA-N	1	0	447.595	3.150	50	0		IGAARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000007686714	569197392	/nfs/dbraw/zinc/19/73/92/569197392.db2.gz	SSRBMVWQBHRMMZ-QFIPXVFZSA-N	1	0	427.570	3.038	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000037523973	569198371	/nfs/dbraw/zinc/19/83/71/569198371.db2.gz	JWLFTULVMUABGI-ISKFKSNPSA-N	1	0	440.584	3.341	50	0		IGAARO
FC(F)(F)COCCC[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1	ZINC000195686870	569204708	/nfs/dbraw/zinc/20/47/08/569204708.db2.gz	YQAQBELKGAMFNE-UHFFFAOYSA-N	1	0	439.272	3.264	50	0		IGAARO
Cc1c(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccccc2)cnn1C	ZINC000014740864	569310583	/nfs/dbraw/zinc/31/05/83/569310583.db2.gz	BLHIOCPGQMDMAW-UHFFFAOYSA-N	1	0	437.588	3.226	50	0		IGAARO
Cc1cc(C)n(-c2cccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c2)n1	ZINC000078975261	569321086	/nfs/dbraw/zinc/32/10/86/569321086.db2.gz	GDMHGZPAMCLMGT-QPPBQGQZSA-N	1	0	433.556	3.494	50	0		IGAARO
Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC[N@@H+]4CCc5ccccc5C4)c3c2c1	ZINC000020321891	569360252	/nfs/dbraw/zinc/36/02/52/569360252.db2.gz	UCHPJXPUMZZORS-UHFFFAOYSA-N	1	0	430.508	3.016	50	0		IGAARO
CC(C)[N@H+](CCCNC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21)Cc1ccccc1	ZINC000020416326	569364575	/nfs/dbraw/zinc/36/45/75/569364575.db2.gz	RDTCLWUNLJRENK-UHFFFAOYSA-N	1	0	431.540	3.295	50	0		IGAARO
O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000020416545	569364625	/nfs/dbraw/zinc/36/46/25/569364625.db2.gz	QUFNLZQPRXTWLH-UHFFFAOYSA-N	1	0	443.551	3.439	50	0		IGAARO
Cc1c2ccc(OCCN3CC[NH+](CCO)CC3)cc2oc(=O)c1-c1ccc(Cl)cc1	ZINC000095481168	569374076	/nfs/dbraw/zinc/37/40/76/569374076.db2.gz	SBQSBCBAHXCCOA-UHFFFAOYSA-N	1	0	442.943	3.411	50	0		IGAARO
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@@H]4CC[N@H+](C)[C@@H]4c4cccs4)c3)cc21	ZINC000095945809	569375952	/nfs/dbraw/zinc/37/59/52/569375952.db2.gz	TXYCTSLNNISGRK-UWJYYQICSA-N	1	0	447.564	3.365	50	0		IGAARO
CN1c2c(=O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)coc2-c2ccccc2S1(=O)=O	ZINC000096028128	569380948	/nfs/dbraw/zinc/38/09/48/569380948.db2.gz	WRFWOOWVISDSDF-LJQANCHMSA-N	1	0	433.489	3.162	50	0		IGAARO
O=c1c2ccccc2n(CCC[NH+]2CCN(c3ccccc3)CC2)c(=O)n1-c1ccccc1	ZINC000096562554	569401147	/nfs/dbraw/zinc/40/11/47/569401147.db2.gz	ZNGGLHWSGFAOEO-UHFFFAOYSA-N	1	0	440.547	3.365	50	0		IGAARO
CSc1nc2nc(C)c(CC(=O)NCc3ccccc3C[NH+]3CCCCC3)c(C)n2n1	ZINC000028085567	569407279	/nfs/dbraw/zinc/40/72/79/569407279.db2.gz	QECPWHKLHGBZQP-UHFFFAOYSA-N	1	0	438.601	3.308	50	0		IGAARO
C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl	ZINC000003224697	569442151	/nfs/dbraw/zinc/44/21/51/569442151.db2.gz	MFFLPFYYEDSLFJ-UHFFFAOYSA-N	1	0	430.357	3.476	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCC[NH+](C)C)nn1-c1cccc(Cl)c1)C2	ZINC000031816925	569458006	/nfs/dbraw/zinc/45/80/06/569458006.db2.gz	RNACXMOYTDYVPW-UHFFFAOYSA-N	1	0	440.931	3.406	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C)c1ccccc1Cl	ZINC000032317661	569461150	/nfs/dbraw/zinc/46/11/50/569461150.db2.gz	QASAWXLNNYKJEB-SFHVURJKSA-N	1	0	428.924	3.143	50	0		IGAARO
O=C(Cc1ccccc1)Nc1nc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)cs1	ZINC000038575673	569464103	/nfs/dbraw/zinc/46/41/03/569464103.db2.gz	KURXARKMEUUMHU-UHFFFAOYSA-N	1	0	426.586	3.344	50	0		IGAARO
O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCn2c(=O)oc3ccccc32)CC1	ZINC000040149607	569492545	/nfs/dbraw/zinc/49/25/45/569492545.db2.gz	MCROZPRAEFETGB-UHFFFAOYSA-N	1	0	445.317	3.103	50	0		IGAARO
CN1CC[NH+](CCc2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000040157062	569494216	/nfs/dbraw/zinc/49/42/16/569494216.db2.gz	ZFQAJRCKTPEPAA-UHFFFAOYSA-N	1	0	449.336	3.333	50	0		IGAARO
CN1CCN([C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1	ZINC000040160708	569495139	/nfs/dbraw/zinc/49/51/39/569495139.db2.gz	FQUXFRYQPPJGLR-MDNUFGMLSA-N	1	0	429.630	3.081	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000245281485	569502197	/nfs/dbraw/zinc/50/21/97/569502197.db2.gz	ZULUQXQZLLNGBF-WIYYLYMNSA-N	1	0	432.586	3.094	50	0		IGAARO
O=C(NCC[NH+]1CCCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1	ZINC000009117256	569503125	/nfs/dbraw/zinc/50/31/25/569503125.db2.gz	PJDHTOBEDGWJBM-UHFFFAOYSA-N	1	0	442.564	3.025	50	0		IGAARO
CC(=O)N1CCCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1	ZINC000245325501	569503428	/nfs/dbraw/zinc/50/34/28/569503428.db2.gz	AIOKFQCGFPLLAY-WZONZLPQSA-N	1	0	425.598	3.473	50	0		IGAARO
CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(Cl)cc5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1	ZINC000009134388	569507048	/nfs/dbraw/zinc/50/70/48/569507048.db2.gz	AMWQGYQWGIQNCX-FLFXDLLNSA-N	1	0	443.975	3.052	50	0		IGAARO
Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2	ZINC000069893368	569522992	/nfs/dbraw/zinc/52/29/92/569522992.db2.gz	CUBZUQYMKBNKIN-NRFANRHFSA-N	1	0	449.530	3.182	50	0		IGAARO
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C	ZINC000009336975	569523519	/nfs/dbraw/zinc/52/35/19/569523519.db2.gz	RYKPIWWNADOQPI-NRFANRHFSA-N	1	0	437.537	3.010	50	0		IGAARO
CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2O1	ZINC000009340153	569523857	/nfs/dbraw/zinc/52/38/57/569523857.db2.gz	GAXKOHNZOWXEGQ-UHFFFAOYSA-N	1	0	438.524	3.296	50	0		IGAARO
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)[NH+]2CCCC2)cc1	ZINC000009481899	569539470	/nfs/dbraw/zinc/53/94/70/569539470.db2.gz	KWYLCFNCGAQEFL-NRFANRHFSA-N	1	0	425.529	3.094	50	0		IGAARO
Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C(=O)CS2	ZINC000009687015	569560760	/nfs/dbraw/zinc/56/07/60/569560760.db2.gz	FJUZAPHVFLCNEH-KRWDZBQOSA-N	1	0	441.601	3.000	50	0		IGAARO
CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)c1	ZINC000009747987	569565875	/nfs/dbraw/zinc/56/58/75/569565875.db2.gz	XOWQHIOICYHKNK-UHFFFAOYSA-N	1	0	442.585	3.007	50	0		IGAARO
Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1	ZINC000009849593	569571350	/nfs/dbraw/zinc/57/13/50/569571350.db2.gz	GWLYGENRNYVSLQ-XMMPIXPASA-N	1	0	449.526	3.310	50	0		IGAARO
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000002260038	132250357	/nfs/dbraw/zinc/25/03/57/132250357.db2.gz	QHMBKPKSMLMLIY-UHFFFAOYSA-N	1	0	442.466	3.384	50	0		IGAARO
Cc1cc(C)c2c(n1)SCC(=O)N2CCCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006802947	132279135	/nfs/dbraw/zinc/27/91/35/132279135.db2.gz	AEEOZODJSAJFSI-CALCHBBNSA-N	1	0	432.634	3.402	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1[nH]nc2c1COc1ccccc1-2	ZINC000009728806	132328018	/nfs/dbraw/zinc/32/80/18/132328018.db2.gz	WGVDKVBCXOLYLO-UHFFFAOYSA-N	1	0	435.503	3.050	50	0		IGAARO
CCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1	ZINC000034835110	519862354	/nfs/dbraw/zinc/86/23/54/519862354.db2.gz	HHUJHSCYRYATIE-UHFFFAOYSA-N	1	0	441.620	3.488	50	0		IGAARO
CC1(C)CC(NC(=O)CNC(=O)N2CCc3c4cc(Cl)ccc4[nH]c3C2)CC(C)(C)[NH2+]1	ZINC000012390203	520285551	/nfs/dbraw/zinc/28/55/51/520285551.db2.gz	SIWYMDHWXAEIIX-UHFFFAOYSA-N	1	0	445.995	3.314	50	0		IGAARO
CCCOc1c(Br)cc(C[NH2+]CCCSc2nnnn2C)cc1OC	ZINC000040744610	520289388	/nfs/dbraw/zinc/28/93/88/520289388.db2.gz	RSVKNJPKWKMNPP-UHFFFAOYSA-N	1	0	430.372	3.042	50	0		IGAARO
COC(=O)c1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc1	ZINC000014957804	522006725	/nfs/dbraw/zinc/00/67/25/522006725.db2.gz	ZMKMQPACOIFTHD-IBGZPJMESA-N	1	0	430.574	3.252	50	0		IGAARO
CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1	ZINC000035373764	522168883	/nfs/dbraw/zinc/16/88/83/522168883.db2.gz	HCPFSKOEALNSGL-HSZRJFAPSA-N	1	0	445.567	3.460	50	0		IGAARO
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC2([NH+](C)C)CCCCCC2)C(C)C)c1	ZINC000021200544	522854811	/nfs/dbraw/zinc/85/48/11/522854811.db2.gz	FMWKNCAXMNTVMN-OAQYLSRUSA-N	1	0	433.593	3.229	50	0		IGAARO
CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCC1)C2	ZINC000014538858	523610141	/nfs/dbraw/zinc/61/01/41/523610141.db2.gz	JKXPYLRRIKJIJM-QFIPXVFZSA-N	1	0	449.643	3.250	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@H](C)CCC=C(C)C)CC3)cc1	ZINC000012332791	523704917	/nfs/dbraw/zinc/70/49/17/523704917.db2.gz	MQWPBZJDPUUZSM-HXUWFJFHSA-N	1	0	439.604	3.500	50	0		IGAARO
C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccccc1)=N2	ZINC000035373005	523788407	/nfs/dbraw/zinc/78/84/07/523788407.db2.gz	NONKWULTGAGDDN-UHFFFAOYSA-N	1	0	436.537	3.410	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1OC	ZINC000023374011	523941004	/nfs/dbraw/zinc/94/10/04/523941004.db2.gz	DPCNIAFBMLQDNU-QFIPXVFZSA-N	1	0	428.573	3.214	50	0		IGAARO
C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCCCC1	ZINC000012800932	524035352	/nfs/dbraw/zinc/03/53/52/524035352.db2.gz	AFKUJSRKYYMNRU-UHFFFAOYSA-N	1	0	442.025	3.121	50	0		IGAARO
COc1ccc(CNc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)cc1	ZINC000021929399	524105880	/nfs/dbraw/zinc/10/58/80/524105880.db2.gz	AXEKEQUIBCVUHA-UHFFFAOYSA-N	1	0	435.576	3.439	50	0		IGAARO
COc1ccc(Cc2nc3c4c(C)c(C)n(CCC[NH+]5CCOCC5)c4ncn3n2)cc1	ZINC000020622978	524164890	/nfs/dbraw/zinc/16/48/90/524164890.db2.gz	VUFJWTRREIRYDI-UHFFFAOYSA-N	1	0	434.544	3.018	50	0		IGAARO
C[C@H](CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCCCC1	ZINC000033061773	524181355	/nfs/dbraw/zinc/18/13/55/524181355.db2.gz	NUGAMFMJBIWODT-QGZVFWFLSA-N	1	0	429.590	3.494	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)c(C)c1	ZINC000012887484	524316573	/nfs/dbraw/zinc/31/65/73/524316573.db2.gz	JJGLTGYPEAVOEK-UHFFFAOYSA-N	1	0	449.661	3.393	50	0		IGAARO
COc1ccc([C@H](CNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)[NH+]2CCCC2)cc1	ZINC000012926832	525357582	/nfs/dbraw/zinc/35/75/82/525357582.db2.gz	YTTNYDZGCGUIAC-SFHVURJKSA-N	1	0	440.569	3.106	50	0		IGAARO
Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1	ZINC000012596966	526082000	/nfs/dbraw/zinc/08/20/00/526082000.db2.gz	KUAATFDHXUSMAH-XMMPIXPASA-N	1	0	434.584	3.413	50	0		IGAARO
O=C([C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000020942621	526470306	/nfs/dbraw/zinc/47/03/06/526470306.db2.gz	NUHXTCFPCLMUMH-GOSISDBHSA-N	1	0	428.606	3.022	50	0		IGAARO
O=C(c1ccc(N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@H](O)C1	ZINC000012451577	526696863	/nfs/dbraw/zinc/69/68/63/526696863.db2.gz	XNRSKCMNSPAAHA-SANMLTNESA-N	1	0	448.611	3.075	50	0		IGAARO
O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000012692888	526729477	/nfs/dbraw/zinc/72/94/77/526729477.db2.gz	JQKVVNBYOXSJOJ-UHFFFAOYSA-N	1	0	447.539	3.384	50	0		IGAARO
O=C(CN1CCCCC1=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012439817	526736752	/nfs/dbraw/zinc/73/67/52/526736752.db2.gz	IDNFIJWEOUWREY-JOCHJYFZSA-N	1	0	445.579	3.058	50	0		IGAARO
O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000021822132	526767658	/nfs/dbraw/zinc/76/76/58/526767658.db2.gz	LGMDZMWXGRULKR-UHFFFAOYSA-N	1	0	441.535	3.202	50	0		IGAARO
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000012614289	527114536	/nfs/dbraw/zinc/11/45/36/527114536.db2.gz	IHJIMDFELLSAHV-UHFFFAOYSA-N	1	0	443.555	3.217	50	0		IGAARO
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000014519996	527528105	/nfs/dbraw/zinc/52/81/05/527528105.db2.gz	FJGIKJOHWKNGNO-UHFFFAOYSA-N	1	0	428.899	3.372	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl	ZINC000040744481	527580040	/nfs/dbraw/zinc/58/00/40/527580040.db2.gz	BVNIMEQYULTZAW-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O	ZINC000021049786	527664975	/nfs/dbraw/zinc/66/49/75/527664975.db2.gz	VENNYPOZBLNGQT-UHFFFAOYSA-N	1	0	443.979	3.188	50	0		IGAARO
CCCCC[n+]1cccc(C(=O)N2c3c(=O)[nH]c(NC(=O)C(C)C)nc3N[C@@H](C)[C@H]2C)c1	ZINC000008384369	535141227	/nfs/dbraw/zinc/14/12/27/535141227.db2.gz	PCFDDQPDTVFYPT-JKSUJKDBSA-O	1	0	441.556	3.104	50	0		IGAARO
COc1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)CO2	ZINC000008610494	536988145	/nfs/dbraw/zinc/98/81/45/536988145.db2.gz	IZOKRHYYIHQVRZ-IBGZPJMESA-N	1	0	443.975	3.228	50	0		IGAARO
COc1cc(C(=O)Oc2ccc(OC[C@H](O)C[NH2+]C(C)C)c(C)c2C)cc(OC)c1OC	ZINC000000638661	555517534	/nfs/dbraw/zinc/51/75/34/555517534.db2.gz	SQVISWDYYIJRMB-GOSISDBHSA-N	1	0	447.528	3.286	50	0		IGAARO
COc1ccc(N(C[C@@H](O)C[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000644847	555520134	/nfs/dbraw/zinc/52/01/34/555520134.db2.gz	NBXVKVYHBHZJPB-NRFANRHFSA-N	1	0	432.586	3.292	50	0		IGAARO
Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCC[NH+]3CCCC3)ccc12	ZINC000034835996	555914300	/nfs/dbraw/zinc/91/43/00/555914300.db2.gz	DJKOOLGCSUCMQI-UHFFFAOYSA-N	1	0	437.515	3.088	50	0		IGAARO
COc1cccc(-c2cc(C(=O)N(CCC(=O)NC3CC[NH+](C)CC3)CC(C)C)no2)c1	ZINC000034922661	555932975	/nfs/dbraw/zinc/93/29/75/555932975.db2.gz	BWKUEPWRQSBEEI-UHFFFAOYSA-N	1	0	442.560	3.049	50	0		IGAARO
O=C(c1ccc2ccccc2c1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	ZINC000034912248	555934163	/nfs/dbraw/zinc/93/41/63/555934163.db2.gz	KHDKUYNBRYCVJE-UHFFFAOYSA-N	1	0	435.568	3.015	50	0		IGAARO
Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(OCC[NH+](C)C)c21	ZINC000013691736	556281351	/nfs/dbraw/zinc/28/13/51/556281351.db2.gz	DUMWECFLLVVWDV-UHFFFAOYSA-N	1	0	426.542	3.080	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)CC1	ZINC000032736351	556306380	/nfs/dbraw/zinc/30/63/80/556306380.db2.gz	RMVWVHKOUNDURC-IBGZPJMESA-N	1	0	440.569	3.003	50	0		IGAARO
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCC[NH+]1CCCCC1	ZINC000010278464	556329516	/nfs/dbraw/zinc/32/95/16/556329516.db2.gz	ZIWRHOOBSTVJHZ-UHFFFAOYSA-N	1	0	429.586	3.259	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1	ZINC000011709394	556347645	/nfs/dbraw/zinc/34/76/45/556347645.db2.gz	QSXNLHZZIAXQKY-XUZZJYLKSA-N	1	0	439.600	3.461	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1cccs1	ZINC000032795392	556357792	/nfs/dbraw/zinc/35/77/92/556357792.db2.gz	MFBUVQDTTXKTGI-XJKSGUPXSA-N	1	0	436.375	3.283	50	0		IGAARO
CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)C1	ZINC000011819095	556361116	/nfs/dbraw/zinc/36/11/16/556361116.db2.gz	QKMAYWSENUDWRE-QFIPXVFZSA-N	1	0	446.661	3.473	50	0		IGAARO
Cc1c[nH]c(CN(C)Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)n1	ZINC000011820443	556362512	/nfs/dbraw/zinc/36/25/12/556362512.db2.gz	INEUNYWGQXSAHC-UHFFFAOYSA-N	1	0	449.603	3.088	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1	ZINC000014189069	556387314	/nfs/dbraw/zinc/38/73/14/556387314.db2.gz	NGUPEIZIGBJOHU-KRWDZBQOSA-N	1	0	429.586	3.169	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1	ZINC000014189071	556387383	/nfs/dbraw/zinc/38/73/83/556387383.db2.gz	NGUPEIZIGBJOHU-QGZVFWFLSA-N	1	0	429.586	3.169	50	0		IGAARO
COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2)C(C)C	ZINC000012035973	556389836	/nfs/dbraw/zinc/38/98/36/556389836.db2.gz	VZVTYQAJTOVHNS-NRFANRHFSA-N	1	0	427.574	3.011	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)Cc2ccc(O)cc2)CC1	ZINC000012048981	556391641	/nfs/dbraw/zinc/39/16/41/556391641.db2.gz	MOGSMPBLUQFXOM-SFHVURJKSA-N	1	0	442.556	3.251	50	0		IGAARO
COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](Cc1ccccn1)CC2	ZINC000012055662	556393886	/nfs/dbraw/zinc/39/38/86/556393886.db2.gz	KJGBEVYABAFUQI-RPWUZVMVSA-N	1	0	437.584	3.474	50	0		IGAARO
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2	ZINC000014535407	556423187	/nfs/dbraw/zinc/42/31/87/556423187.db2.gz	BFQZXZROENCOOI-UHFFFAOYSA-N	1	0	443.551	3.344	50	0		IGAARO
CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@H](C)Cc1cccnc1)CC2	ZINC000014539522	556424942	/nfs/dbraw/zinc/42/49/42/556424942.db2.gz	QAZJODZLPBOBBH-LJQANCHMSA-N	1	0	436.556	3.340	50	0		IGAARO
C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012985693	556426596	/nfs/dbraw/zinc/42/65/96/556426596.db2.gz	IFCNDZYQCYUXJK-DLBZAZTESA-N	1	0	435.524	3.432	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2	ZINC000032843137	556428183	/nfs/dbraw/zinc/42/81/83/556428183.db2.gz	JYCNNEDJSSRMJR-CZSZKKDXSA-N	1	0	427.541	3.208	50	0		IGAARO
CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCOC)C(=O)N3Cc2ccccc2)o1	ZINC000014733756	556437760	/nfs/dbraw/zinc/43/77/60/556437760.db2.gz	KZIAHMQEUXIDNV-UHFFFAOYSA-N	1	0	425.529	3.287	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2	ZINC000014744844	556440403	/nfs/dbraw/zinc/44/04/03/556440403.db2.gz	BURWYLBLNUZARP-UHFFFAOYSA-N	1	0	437.540	3.228	50	0		IGAARO
COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2	ZINC000014744334	556440436	/nfs/dbraw/zinc/44/04/36/556440436.db2.gz	COXLFWYCRVYWBK-JOCHJYFZSA-N	1	0	440.588	3.116	50	0		IGAARO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000014745544	556440747	/nfs/dbraw/zinc/44/07/47/556440747.db2.gz	KGGZXXLYKQSOFF-UHFFFAOYSA-N	1	0	436.556	3.342	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3ccc(C(C)C)cc3)CC2)cc1	ZINC000013040724	556446422	/nfs/dbraw/zinc/44/64/22/556446422.db2.gz	XNLGSYPJPFDWTP-FQEVSTJZSA-N	1	0	443.613	3.302	50	0		IGAARO
CCOc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)cc1	ZINC000014886175	556455483	/nfs/dbraw/zinc/45/54/83/556455483.db2.gz	DOVLLYIZFWEZCO-OAQYLSRUSA-N	1	0	426.561	3.071	50	0		IGAARO
CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1nn(C)c2nc(C)cc(C)c12	ZINC000072304583	556548751	/nfs/dbraw/zinc/54/87/51/556548751.db2.gz	JDLMSXIBCDNZML-OAQYLSRUSA-N	1	0	435.572	3.335	50	0		IGAARO
CC[NH+](CC)CCSc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cn1	ZINC000033274483	556558497	/nfs/dbraw/zinc/55/84/97/556558497.db2.gz	DLCRAWRVFVUYNX-UHFFFAOYSA-N	1	0	428.602	3.487	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016010071	556573830	/nfs/dbraw/zinc/57/38/30/556573830.db2.gz	VBOJFGGJQAXEHP-IMIIHFCZSA-N	1	0	429.520	3.297	50	0		IGAARO
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1	ZINC000072310368	556576085	/nfs/dbraw/zinc/57/60/85/556576085.db2.gz	YJVZEJOPPHOROQ-UHFFFAOYSA-N	1	0	425.577	3.406	50	0		IGAARO
CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1)[C@@H]1CC[N@H+](C)C1	ZINC000034921924	556586520	/nfs/dbraw/zinc/58/65/20/556586520.db2.gz	KDJWOGVSJXLGMN-GOSISDBHSA-N	1	0	431.496	3.392	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)cc1	ZINC000032995154	556610167	/nfs/dbraw/zinc/61/01/67/556610167.db2.gz	WDURUQWLVPQMKP-KRWDZBQOSA-N	1	0	429.590	3.412	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1csc(-c2ccccn2)n1	ZINC000409414509	556639796	/nfs/dbraw/zinc/63/97/96/556639796.db2.gz	SYZNSNUASNRLGE-GHTZIAJQSA-N	1	0	428.602	3.487	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409413107	556640430	/nfs/dbraw/zinc/64/04/30/556640430.db2.gz	CNXJGIALSSQHTK-WIYYLYMNSA-N	1	0	426.561	3.008	50	0		IGAARO
CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000071850268	556667314	/nfs/dbraw/zinc/66/73/14/556667314.db2.gz	MSZANQKLGBDULI-LJQANCHMSA-N	1	0	435.615	3.059	50	0		IGAARO
COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000032929487	556672021	/nfs/dbraw/zinc/67/20/21/556672021.db2.gz	RTPRLAZCOZOHTI-NSHDSACASA-N	1	0	425.776	3.264	50	0		IGAARO
COc1ccc(S(=O)(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1OC	ZINC000032935834	556678576	/nfs/dbraw/zinc/67/85/76/556678576.db2.gz	DDZNVWTXNJJGLS-JOCHJYFZSA-N	1	0	432.586	3.455	50	0		IGAARO
Cc1nc(CNC(=O)C2CC[NH+](C3CCN(Cc4cccc(C)n4)CC3)CC2)cs1	ZINC000019218466	556713364	/nfs/dbraw/zinc/71/33/64/556713364.db2.gz	ZKFCGKWWOKHURI-UHFFFAOYSA-N	1	0	427.618	3.148	50	0		IGAARO
NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)C1	ZINC000078720388	556735283	/nfs/dbraw/zinc/73/52/83/556735283.db2.gz	SNUBGPLTFNXMPJ-HXUWFJFHSA-N	1	0	447.539	3.395	50	0		IGAARO
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4cccc(OC)c4)c(C)c32)CC1	ZINC000033048416	556744666	/nfs/dbraw/zinc/74/46/66/556744666.db2.gz	JUPUDLBJKONFMJ-UHFFFAOYSA-N	1	0	439.585	3.470	50	0		IGAARO
COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)CC[N@H+](C)C2	ZINC000062007121	556765151	/nfs/dbraw/zinc/76/51/51/556765151.db2.gz	YECFOFBVAHTDIX-UHFFFAOYSA-N	1	0	432.524	3.162	50	0		IGAARO
COc1cc(I)c(Cl)cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1	ZINC000058226892	556773674	/nfs/dbraw/zinc/77/36/74/556773674.db2.gz	ZOSTVHPWHQTIMB-LLVKDONJSA-N	1	0	436.721	3.415	50	0		IGAARO
O=C(NCCC[NH2+]C1CCCCC1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000058229628	556773927	/nfs/dbraw/zinc/77/39/27/556773927.db2.gz	ZVBRNAIRVLFBMT-UHFFFAOYSA-N	1	0	442.651	3.034	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)c2cc(-c3cc(OC)ccc3OC)on2)[NH+](C)C)c1	ZINC000058264849	556776408	/nfs/dbraw/zinc/77/64/08/556776408.db2.gz	VLSYOMHAIJOHPL-HXUWFJFHSA-N	1	0	425.485	3.400	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)CC1	ZINC000058316715	556780619	/nfs/dbraw/zinc/78/06/19/556780619.db2.gz	BHZBEPHUPGMJHI-MRXNPFEDSA-N	1	0	448.564	3.254	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	ZINC000058950345	556793305	/nfs/dbraw/zinc/79/33/05/556793305.db2.gz	ZZTNGZFMXDSFFW-GOSISDBHSA-N	1	0	441.597	3.432	50	0		IGAARO
CCNc1nc(N2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)cc(C)[nH+]1	ZINC000065364322	556835695	/nfs/dbraw/zinc/83/56/95/556835695.db2.gz	MATZHZFXCWCOMY-UHFFFAOYSA-N	1	0	434.928	3.242	50	0		IGAARO
Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)[NH+](C)C)cc1	ZINC000062580304	556835954	/nfs/dbraw/zinc/83/59/54/556835954.db2.gz	VZDQBOHRYXJPOK-QHCPKHFHSA-N	1	0	443.613	3.448	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000033131296	556871689	/nfs/dbraw/zinc/87/16/89/556871689.db2.gz	RVNXFNPFPFIAGP-INIZCTEOSA-N	1	0	427.998	3.119	50	0		IGAARO
C[N@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1	ZINC000033254519	556890572	/nfs/dbraw/zinc/89/05/72/556890572.db2.gz	ZPMDSFKETALHQI-UHFFFAOYSA-N	1	0	435.634	3.248	50	0		IGAARO
CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1	ZINC000019938593	556952857	/nfs/dbraw/zinc/95/28/57/556952857.db2.gz	HUMOBQPLLCZOHC-QHCPKHFHSA-N	1	0	432.992	3.477	50	0		IGAARO
C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000022920292	557047375	/nfs/dbraw/zinc/04/73/75/557047375.db2.gz	DSALJWMFYDDKAU-IBGZPJMESA-N	1	0	428.536	3.331	50	0		IGAARO
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1	ZINC000048275542	557056091	/nfs/dbraw/zinc/05/60/91/557056091.db2.gz	DOAKQEGKLVLLEL-ROUUACIJSA-N	1	0	440.510	3.030	50	0		IGAARO
CC(C)c1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)no1	ZINC000082087640	557058540	/nfs/dbraw/zinc/05/85/40/557058540.db2.gz	SJEUQTXFSFAQJS-FQEVSTJZSA-N	1	0	425.577	3.233	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCCC1	ZINC000048309556	557059980	/nfs/dbraw/zinc/05/99/80/557059980.db2.gz	REMNDVYPLNTDKK-JOCHJYFZSA-N	1	0	428.577	3.306	50	0		IGAARO
CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)CC1	ZINC000048302802	557064333	/nfs/dbraw/zinc/06/43/33/557064333.db2.gz	NNFMQQRELLFCAQ-JOCHJYFZSA-N	1	0	427.570	3.323	50	0		IGAARO
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000048326029	557066662	/nfs/dbraw/zinc/06/66/62/557066662.db2.gz	HYYMHAHRQRUQFN-FQEVSTJZSA-N	1	0	434.606	3.343	50	0		IGAARO
CC[C@@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[N@@H+]1CCc2ccccc2C1	ZINC000048326459	557068821	/nfs/dbraw/zinc/06/88/21/557068821.db2.gz	HMPOTJURKAMZIW-QHCPKHFHSA-N	1	0	431.540	3.250	50	0		IGAARO
Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000023353983	557086708	/nfs/dbraw/zinc/08/67/08/557086708.db2.gz	YPKIDNVMVZXIAI-JOCHJYFZSA-N	1	0	435.616	3.111	50	0		IGAARO
Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CC[NH+](CCC(N)=O)CC2)c(C)s1	ZINC000023358295	557086983	/nfs/dbraw/zinc/08/69/83/557086983.db2.gz	WDFPNRXIHPDBAS-UHFFFAOYSA-N	1	0	441.576	3.350	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1	ZINC000004760144	557090408	/nfs/dbraw/zinc/09/04/08/557090408.db2.gz	NEIRDXPFMZLWKS-SFTDATJTSA-N	1	0	445.585	3.134	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1	ZINC000049574882	557114118	/nfs/dbraw/zinc/11/41/18/557114118.db2.gz	HJAGGNIYQASAOM-FGZHOGPDSA-N	1	0	437.584	3.165	50	0		IGAARO
CC[NH+](CC)CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21	ZINC000033332018	557116602	/nfs/dbraw/zinc/11/66/02/557116602.db2.gz	LMVIYPWWJOOKRQ-UHFFFAOYSA-N	1	0	447.377	3.255	50	0		IGAARO
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2c1=O	ZINC000004791241	557124825	/nfs/dbraw/zinc/12/48/25/557124825.db2.gz	QLDVRSAYMOPQHU-UHFFFAOYSA-N	1	0	436.556	3.132	50	0		IGAARO
Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000023936963	557126840	/nfs/dbraw/zinc/12/68/40/557126840.db2.gz	OGSWANCXALTKBF-UHFFFAOYSA-N	1	0	428.540	3.171	50	0		IGAARO
COC(=O)[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2OC)C1	ZINC000215834735	557136726	/nfs/dbraw/zinc/13/67/26/557136726.db2.gz	HUTSFSBINUYSEU-NZQKXSOJSA-N	1	0	438.524	3.185	50	0		IGAARO
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CC[NH2+]CC3)cc2)ncc1Cl	ZINC000149270694	557175132	/nfs/dbraw/zinc/17/51/32/557175132.db2.gz	FCLOIQHNUARDSR-UHFFFAOYSA-N	1	0	437.935	3.386	50	0		IGAARO
C[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000014160854	557311886	/nfs/dbraw/zinc/31/18/86/557311886.db2.gz	VNODTSOQHYRVRS-QYBDOPJKSA-N	1	0	448.567	3.191	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000106309594	557527973	/nfs/dbraw/zinc/52/79/73/557527973.db2.gz	ZCTLIGVDZHXLPJ-ICSRJNTNSA-N	1	0	425.552	3.490	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)[NH+]1CCCC1	ZINC000013013566	562984162	/nfs/dbraw/zinc/98/41/62/562984162.db2.gz	QLKKAEXFJWPKSX-GGAORHGYSA-N	1	0	435.568	3.305	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1OC	ZINC000023374008	568613624	/nfs/dbraw/zinc/61/36/24/568613624.db2.gz	DPCNIAFBMLQDNU-JOCHJYFZSA-N	1	0	428.573	3.214	50	0		IGAARO
COc1ccc([C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)N2CCOCC2)cc1	ZINC000079073478	568650084	/nfs/dbraw/zinc/65/00/84/568650084.db2.gz	DSCKTRDTRTUPLL-XMMPIXPASA-N	1	0	445.991	3.348	50	0		IGAARO
Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCN2CCOCC2)c(-c2ccccc2)n1	ZINC000261491680	568734474	/nfs/dbraw/zinc/73/44/74/568734474.db2.gz	CGTVEPWRIKUXSA-UHFFFAOYSA-N	1	0	429.927	3.208	50	0		IGAARO
O=C([C@@H]1CC12CC[NH+](Cc1ccc(CO)o1)CC2)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000299764933	568756102	/nfs/dbraw/zinc/75/61/02/568756102.db2.gz	XBRIDNWXBIUPKK-OGPASDKVSA-N	1	0	449.595	3.232	50	0		IGAARO
COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCSCC1)C3	ZINC000299767629	568756466	/nfs/dbraw/zinc/75/64/66/568756466.db2.gz	IHNCIRVDGUNNNE-MRXNPFEDSA-N	1	0	427.595	3.421	50	0		IGAARO
O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1cccc(-n2cccn2)c1	ZINC000299767773	568756478	/nfs/dbraw/zinc/75/64/78/568756478.db2.gz	OCGWUHKRXXZOSY-QHCPKHFHSA-N	1	0	431.540	3.211	50	0		IGAARO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)C1	ZINC000015677882	568805021	/nfs/dbraw/zinc/80/50/21/568805021.db2.gz	QXCWTGWPKGMWST-DNVFCKCGSA-N	1	0	436.556	3.033	50	0		IGAARO
C[C@@H]1CSc2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2NC1=O	ZINC000015730777	568814132	/nfs/dbraw/zinc/81/41/32/568814132.db2.gz	KBXJCNUKVIHMBM-MRXNPFEDSA-N	1	0	445.610	3.310	50	0		IGAARO
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)CC1	ZINC000015731217	568814699	/nfs/dbraw/zinc/81/46/99/568814699.db2.gz	DFZLDFGZVCQLEV-INIZCTEOSA-N	1	0	439.647	3.403	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229901941	568887165	/nfs/dbraw/zinc/88/71/65/568887165.db2.gz	ATPCUYQGOXKMIT-VXCZRNDOSA-N	1	0	442.302	3.425	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)cc2F)CC1	ZINC000240555847	568911922	/nfs/dbraw/zinc/91/19/22/568911922.db2.gz	GXTUSCPNXXYETN-WOJBJXKFSA-N	1	0	434.556	3.160	50	0		IGAARO
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1	ZINC000089375217	568922024	/nfs/dbraw/zinc/92/20/24/568922024.db2.gz	OUKAQKVXFLZKKY-UHFFFAOYSA-N	1	0	438.553	3.202	50	0		IGAARO
CC[NH+]1CCN(c2cc(CNC(=O)c3cnc(SC)n3-c3ccccc3)ccn2)CC1	ZINC000064417728	568927780	/nfs/dbraw/zinc/92/77/80/568927780.db2.gz	XGVGKKBVXMKPQI-UHFFFAOYSA-N	1	0	436.585	3.061	50	0		IGAARO
COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cc1	ZINC000036096074	568951041	/nfs/dbraw/zinc/95/10/41/568951041.db2.gz	IDOCJHDKVFNTLU-KNQAVFIVSA-N	1	0	431.529	3.133	50	0		IGAARO
CCNc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(C)[nH+]1	ZINC000064800471	568961262	/nfs/dbraw/zinc/96/12/62/568961262.db2.gz	NVDFDAQEGLYNGT-UHFFFAOYSA-N	1	0	430.361	3.035	50	0		IGAARO
CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000036155609	568966373	/nfs/dbraw/zinc/96/63/73/568966373.db2.gz	BQXCYBYMAOXPJY-CVDCTZTESA-N	1	0	435.524	3.356	50	0		IGAARO
Cc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1C	ZINC000064836083	568969050	/nfs/dbraw/zinc/96/90/50/568969050.db2.gz	PJDUZONTWBVZNU-UHFFFAOYSA-N	1	0	441.535	3.460	50	0		IGAARO
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[NH+](C)C)CC1	ZINC000065006944	569087502	/nfs/dbraw/zinc/08/75/02/569087502.db2.gz	RRFJNULHNAHGRO-HNNXBMFYSA-N	1	0	446.592	3.424	50	0		IGAARO
O=C(CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1)NCC[NH+]1CCCC1	ZINC000065056219	569094863	/nfs/dbraw/zinc/09/48/63/569094863.db2.gz	XJHXLAWRBXCZAM-UHFFFAOYSA-N	1	0	448.571	3.420	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)cc1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153530	569112075	/nfs/dbraw/zinc/11/20/75/569112075.db2.gz	YJOHXFHDVCIBHD-UHFFFAOYSA-N	1	0	432.524	3.011	50	0		IGAARO
CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1	ZINC000065172559	569113022	/nfs/dbraw/zinc/11/30/22/569113022.db2.gz	GOHABDBRVDHFFU-UHFFFAOYSA-N	1	0	445.567	3.106	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1	ZINC000065228040	569117649	/nfs/dbraw/zinc/11/76/49/569117649.db2.gz	DENCYUZTECPEPL-LJQANCHMSA-N	1	0	438.576	3.218	50	0		IGAARO
CCCCN1c2ncccc2O[C@](C)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000065241998	569121877	/nfs/dbraw/zinc/12/18/77/569121877.db2.gz	NZONRNXEDAFIAO-RUZDIDTESA-N	1	0	436.556	3.147	50	0		IGAARO
CCCCS(=O)(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1	ZINC000065265721	569127293	/nfs/dbraw/zinc/12/72/93/569127293.db2.gz	SYGNGXFRPZDOKQ-JOCHJYFZSA-N	1	0	427.574	3.291	50	0		IGAARO
CCCCS(=O)(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1	ZINC000065265722	569127324	/nfs/dbraw/zinc/12/73/24/569127324.db2.gz	SYGNGXFRPZDOKQ-QFIPXVFZSA-N	1	0	427.574	3.291	50	0		IGAARO
C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1	ZINC000065272042	569128985	/nfs/dbraw/zinc/12/89/85/569128985.db2.gz	MZDKPPQSHRGFJE-UHFFFAOYSA-N	1	0	427.549	3.392	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1	ZINC000238901069	569137896	/nfs/dbraw/zinc/13/78/96/569137896.db2.gz	KTJKIOWZFACJIX-VVSUKSJXSA-N	1	0	447.645	3.152	50	0		IGAARO
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170601568	569142957	/nfs/dbraw/zinc/14/29/57/569142957.db2.gz	JZMPUYMAOIIEAE-LEWJYISDSA-N	1	0	436.641	3.042	50	0		IGAARO
O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000170614646	569146347	/nfs/dbraw/zinc/14/63/47/569146347.db2.gz	ALZOIYVVWPBNLY-VQTJNVASSA-N	1	0	429.446	3.194	50	0		IGAARO
CNC(=O)c1ccc(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1	ZINC000170614543	569146404	/nfs/dbraw/zinc/14/64/04/569146404.db2.gz	NONATOUIECKAPG-PMACEKPBSA-N	1	0	433.474	3.315	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]1[C@H]1CCC[N@@H+]12	ZINC000249696497	569155361	/nfs/dbraw/zinc/15/53/61/569155361.db2.gz	SPGLMFFCGIPHHR-XUJKJYMVSA-N	1	0	435.911	3.186	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000089662604	569160916	/nfs/dbraw/zinc/16/09/16/569160916.db2.gz	YJCIZJHZNJHWKV-GOSISDBHSA-N	1	0	431.581	3.350	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCCNC(=O)c1ccsc1	ZINC000089977222	569169361	/nfs/dbraw/zinc/16/93/61/569169361.db2.gz	XZHHZAGLYHFFLS-FQEVSTJZSA-N	1	0	429.586	3.477	50	0		IGAARO
CC[NH+](CC)CCNc1nc2nnnn2c2sc3c(c21)CCN(Cc1ccccc1)C3	ZINC000002230166	569208334	/nfs/dbraw/zinc/20/83/34/569208334.db2.gz	HIKUGJIVHIXTPF-UHFFFAOYSA-N	1	0	436.589	3.046	50	0		IGAARO
Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2	ZINC000581819699	569211421	/nfs/dbraw/zinc/21/14/21/569211421.db2.gz	CKIUGKMTJMHTIX-QHCPKHFHSA-N	1	0	434.584	3.366	50	0		IGAARO
COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cc1F	ZINC000581819684	569211439	/nfs/dbraw/zinc/21/14/39/569211439.db2.gz	BQGBEDOEEUBYJR-NRFANRHFSA-N	1	0	447.595	3.262	50	0		IGAARO
C[N@H+](CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1)Cc1ccccc1	ZINC000253425955	569267245	/nfs/dbraw/zinc/26/72/45/569267245.db2.gz	WRCCWMVOMPLUKT-UHFFFAOYSA-N	1	0	444.333	3.430	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	ZINC000106017574	569271062	/nfs/dbraw/zinc/27/10/62/569271062.db2.gz	FDIDDYKYJCSPRC-BREDGVMVSA-N	1	0	441.940	3.018	50	0		IGAARO
O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCC([NH+]2CCCCC2)CC1	ZINC000013357438	569313726	/nfs/dbraw/zinc/31/37/26/569313726.db2.gz	SIOQSDNRCHICML-UHFFFAOYSA-N	1	0	440.009	3.215	50	0		IGAARO
O=C(c1csc(I)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1	ZINC000079105981	569325757	/nfs/dbraw/zinc/32/57/57/569325757.db2.gz	SHUPZYSQWAOESY-AWEZNQCLSA-N	1	0	434.343	3.070	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1	ZINC000079192673	569328116	/nfs/dbraw/zinc/32/81/16/569328116.db2.gz	NCZUIJVXRPVKCM-PKOBYXMFSA-N	1	0	440.009	3.264	50	0		IGAARO
CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CC[NH+](CC)CC1	ZINC000020155267	569353778	/nfs/dbraw/zinc/35/37/78/569353778.db2.gz	GFGMBECSSJFZOC-UHFFFAOYSA-N	1	0	441.572	3.279	50	0		IGAARO
CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000095451698	569367891	/nfs/dbraw/zinc/36/78/91/569367891.db2.gz	PVQHRWGKOIAPBW-GBXCKJPGSA-N	1	0	437.625	3.421	50	0		IGAARO
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nc[nH]n2)c1	ZINC000095468600	569371428	/nfs/dbraw/zinc/37/14/28/569371428.db2.gz	GHCKXYCOYPZDMC-SLFFLAALSA-N	1	0	427.549	3.366	50	0		IGAARO
Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000095481684	569374092	/nfs/dbraw/zinc/37/40/92/569374092.db2.gz	GLNJHWGDMFUYDE-UHFFFAOYSA-N	1	0	429.586	3.038	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000095947236	569376368	/nfs/dbraw/zinc/37/63/68/569376368.db2.gz	KYEWLNMCNVWEKF-UGKGYDQZSA-N	1	0	425.504	3.076	50	0		IGAARO
CC[NH+](CC)CCSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1	ZINC000096003427	569379182	/nfs/dbraw/zinc/37/91/82/569379182.db2.gz	CGSWGUXKKZLVOH-UHFFFAOYSA-N	1	0	448.658	3.022	50	0		IGAARO
O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1cccc(C(F)(F)F)c1	ZINC000096024218	569380483	/nfs/dbraw/zinc/38/04/83/569380483.db2.gz	UXUQIIVEJFIDOT-UHFFFAOYSA-N	1	0	444.457	3.441	50	0		IGAARO
O=C(/C=C/c1ccccc1Cl)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12	ZINC000096024207	569380492	/nfs/dbraw/zinc/38/04/92/569380492.db2.gz	QHONTBMROOAGSQ-VAWYXSNFSA-N	1	0	436.943	3.475	50	0		IGAARO
C[NH+](C)CCCNC(=O)c1ccc(COc2ccc(I)cc2)o1	ZINC000002781763	569421204	/nfs/dbraw/zinc/42/12/04/569421204.db2.gz	JRGKKCOJLODLSN-UHFFFAOYSA-N	1	0	428.270	3.145	50	0		IGAARO
COc1ccc2c(C)c(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)oc2c1	ZINC000670434004	569442778	/nfs/dbraw/zinc/44/27/78/569442778.db2.gz	PJUBMYNAURVJPC-RMIBCPJUSA-N	1	0	431.536	3.047	50	0		IGAARO
COc1c2ccoc2c(OC)c2oc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc(=O)c12	ZINC000670457672	569458948	/nfs/dbraw/zinc/45/89/48/569458948.db2.gz	ILSKDKDSORNGRU-CQSZACIVSA-N	1	0	428.485	3.264	50	0		IGAARO
COc1ccccc1-n1cnc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1=O	ZINC000032073776	569459305	/nfs/dbraw/zinc/45/93/05/569459305.db2.gz	MZXMEHMMOZXKAO-UHFFFAOYSA-N	1	0	434.540	3.433	50	0		IGAARO
C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCc2ccccc21	ZINC000008126673	569462252	/nfs/dbraw/zinc/46/22/52/569462252.db2.gz	SXHIGBWERXWHRK-QFIPXVFZSA-N	1	0	427.570	3.419	50	0		IGAARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000008270748	569462493	/nfs/dbraw/zinc/46/24/93/569462493.db2.gz	SDXGXYYAUPJWOS-UHFFFAOYSA-N	1	0	427.570	3.142	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(C)C2CC[NH+](CC)CC2)c1	ZINC000040051284	569484398	/nfs/dbraw/zinc/48/43/98/569484398.db2.gz	DHAXUKODRGRMKW-UHFFFAOYSA-N	1	0	426.652	3.138	50	0		IGAARO
CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)[NH+](C)C)cc1	ZINC000040050666	569484210	/nfs/dbraw/zinc/48/42/10/569484210.db2.gz	VEDSATRMBAFUBT-QFIPXVFZSA-N	1	0	429.586	3.031	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCC[NH+]2CCCCCC2)c1	ZINC000040073258	569486103	/nfs/dbraw/zinc/48/61/03/569486103.db2.gz	MZSDJCAKMFBOCK-UHFFFAOYSA-N	1	0	426.652	3.188	50	0		IGAARO
C[NH+]1CCN(c2cc(CNC(=O)c3ccc(NC(=O)c4cccs4)cc3)ccn2)CC1	ZINC000040118605	569489293	/nfs/dbraw/zinc/48/92/93/569489293.db2.gz	GKEOUJPXEGQYIX-UHFFFAOYSA-N	1	0	435.553	3.077	50	0		IGAARO
FC(F)(F)Oc1ccc(CN2CC[NH+](CCCc3nnnn3-c3ccccc3)CC2)cc1	ZINC000040153461	569493609	/nfs/dbraw/zinc/49/36/09/569493609.db2.gz	KUGGETCPEYUBRD-UHFFFAOYSA-N	1	0	446.477	3.311	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1	ZINC000040355731	569499815	/nfs/dbraw/zinc/49/98/15/569499815.db2.gz	IPHXNLUGWXXSIM-AWEZNQCLSA-N	1	0	430.530	3.118	50	0		IGAARO
CCCn1c2ccccc2c2cnn(CC(=O)NCC[N@H+](C)Cc3ccccc3)c(=O)c21	ZINC000009153421	569508109	/nfs/dbraw/zinc/50/81/09/569508109.db2.gz	BBRKOHZHWHGJSO-UHFFFAOYSA-N	1	0	431.540	3.009	50	0		IGAARO
CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C	ZINC000009253044	569516138	/nfs/dbraw/zinc/51/61/38/569516138.db2.gz	CTWPDTJKGHOPHE-UHFFFAOYSA-N	1	0	447.377	3.200	50	0		IGAARO
COc1ccc(-c2coc3c(C)c(OCC[NH+]4CCC(C(N)=O)CC4)ccc3c2=O)cc1	ZINC000009435798	569534927	/nfs/dbraw/zinc/53/49/27/569534927.db2.gz	SXBXDVPNCVBPRK-UHFFFAOYSA-N	1	0	436.508	3.353	50	0		IGAARO
COc1ccc(-c2nnc(SCC(=O)NCC3([NH+](C)C)CCCCC3)o2)cc1OC	ZINC000009509448	569542588	/nfs/dbraw/zinc/54/25/88/569542588.db2.gz	XWRKMMIKIYZEDA-UHFFFAOYSA-N	1	0	434.562	3.227	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc1=O)CCC2	ZINC000009745567	569565684	/nfs/dbraw/zinc/56/56/84/569565684.db2.gz	CPCUTUCSCBRANZ-UHFFFAOYSA-N	1	0	442.585	3.007	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2	ZINC000009746252	569565692	/nfs/dbraw/zinc/56/56/92/569565692.db2.gz	FSYWPZXECZZXHF-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2cccc(F)c2)c2c1CCCC2	ZINC000009747148	569565853	/nfs/dbraw/zinc/56/58/53/569565853.db2.gz	RRUBWNOSPCDSFA-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1	ZINC000010333986	569580992	/nfs/dbraw/zinc/58/09/92/569580992.db2.gz	YKZBGPUHKDYTKF-XMMPIXPASA-N	1	0	431.536	3.418	50	0		IGAARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1c(C)nc2cc(C)nn2c1C	ZINC000057766241	569583940	/nfs/dbraw/zinc/58/39/40/569583940.db2.gz	BLQNABXKARVLAT-UHFFFAOYSA-N	1	0	447.587	3.917	50	0		IGAARO
COc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc(OC)ccc3OC)CC2)cc1	ZINC000004759652	132273603	/nfs/dbraw/zinc/27/36/03/132273603.db2.gz	GBDQJXCAKRNDQG-UHFFFAOYSA-N	1	0	428.533	3.046	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC	ZINC000007241760	132280450	/nfs/dbraw/zinc/28/04/50/132280450.db2.gz	QMKIVXYIAONPBW-GOSISDBHSA-N	1	0	427.545	3.042	50	0		IGAARO
CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2ncnc3onc(C)c32)C1)Cc1ccccc1	ZINC000009267776	132312139	/nfs/dbraw/zinc/31/21/39/132312139.db2.gz	UIVDAZZFJNRFRV-HXUWFJFHSA-N	1	0	436.560	3.171	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)CC1	ZINC000035560001	519857915	/nfs/dbraw/zinc/85/79/15/519857915.db2.gz	BGJCVMVERARYRQ-UHFFFAOYSA-N	1	0	449.599	3.241	50	0		IGAARO
CCOC(=O)C1CC[NH+]([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1	ZINC000021097936	520580037	/nfs/dbraw/zinc/58/00/37/520580037.db2.gz	KVHOVZDBEIXZAJ-QHCPKHFHSA-N	1	0	442.556	3.182	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	ZINC000021527831	520618956	/nfs/dbraw/zinc/61/89/56/520618956.db2.gz	KQOCCNWPYFFPLF-UHFFFAOYSA-N	1	0	431.540	3.159	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)C1	ZINC000020564847	520679333	/nfs/dbraw/zinc/67/93/33/520679333.db2.gz	FBNXOGNJFPLXBL-HXUWFJFHSA-N	1	0	449.603	3.107	50	0		IGAARO
CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OCC	ZINC000022109382	520714659	/nfs/dbraw/zinc/71/46/59/520714659.db2.gz	NJVGWNYVGAKGCT-UHFFFAOYSA-N	1	0	430.372	3.042	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1	ZINC000020455886	520960004	/nfs/dbraw/zinc/96/00/04/520960004.db2.gz	XWJCSOSIORSQHH-HSZRJFAPSA-N	1	0	425.577	3.228	50	0		IGAARO
CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)cc1CO	ZINC000022909954	520975226	/nfs/dbraw/zinc/97/52/26/520975226.db2.gz	POMYCZMADNMCIQ-XMMPIXPASA-N	1	0	442.600	3.272	50	0		IGAARO
CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	ZINC000020599603	520979612	/nfs/dbraw/zinc/97/96/12/520979612.db2.gz	BAOOUOPTZPARFQ-GOSISDBHSA-N	1	0	449.555	3.235	50	0		IGAARO
CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1	ZINC000021098347	521231648	/nfs/dbraw/zinc/23/16/48/521231648.db2.gz	MLNWRMWVXMENFL-DEOSSOPVSA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000021098084	521692485	/nfs/dbraw/zinc/69/24/85/521692485.db2.gz	FOLRDRBMRFHUOR-DEOSSOPVSA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSCC(=O)N2CCCCC2)CC1	ZINC000012551193	521698357	/nfs/dbraw/zinc/69/83/57/521698357.db2.gz	ZYZWLHJZNSGPMZ-UHFFFAOYSA-N	1	0	439.025	3.166	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc3ccccc3c1)CC2	ZINC000020448655	522015277	/nfs/dbraw/zinc/01/52/77/522015277.db2.gz	IHKRTXBLDIPWBD-UHFFFAOYSA-N	1	0	431.536	3.304	50	0		IGAARO
CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)ccc1C	ZINC000012912283	522271848	/nfs/dbraw/zinc/27/18/48/522271848.db2.gz	SUJKATAQUZYKNG-NRFANRHFSA-N	1	0	445.585	3.468	50	0		IGAARO
COc1cc(CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)cc(OC)c1OC	ZINC000012338191	522366588	/nfs/dbraw/zinc/36/65/88/522366588.db2.gz	BVTOQLLDSLOHQR-LJQANCHMSA-N	1	0	446.519	3.401	50	0		IGAARO
CCc1nccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2	ZINC000012442593	522582795	/nfs/dbraw/zinc/58/27/95/522582795.db2.gz	HZIFJVACRVWGST-XMMPIXPASA-N	1	0	428.552	3.498	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1nc(C)n2c3ccoc3cc2c1=O	ZINC000020866540	523019148	/nfs/dbraw/zinc/01/91/48/523019148.db2.gz	USHNFFLSZKKTHI-SFHVURJKSA-N	1	0	427.549	3.102	50	0		IGAARO
COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2cc1OC	ZINC000012296667	523070830	/nfs/dbraw/zinc/07/08/30/523070830.db2.gz	GPDNHWBABYCZGV-QFBILLFUSA-N	1	0	428.529	3.042	50	0		IGAARO
COc1ccc(-c2c(C)c3ccc(OCCN4CC[NH+](C)CC4)cc3oc2=O)cc1OC	ZINC000020591642	523077224	/nfs/dbraw/zinc/07/72/24/523077224.db2.gz	PXGJRURYWOHAMT-UHFFFAOYSA-N	1	0	438.524	3.412	50	0		IGAARO
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+]3CCCCCC3)CC2)c2ccccc2O1	ZINC000020489454	523228703	/nfs/dbraw/zinc/22/87/03/523228703.db2.gz	UEAODNAMASRAPZ-NRFANRHFSA-N	1	0	442.604	3.488	50	0		IGAARO
CC[C@@H]1CN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1	ZINC000012182169	523435190	/nfs/dbraw/zinc/43/51/90/523435190.db2.gz	DPPZEJOJPGVENC-HSZRJFAPSA-N	1	0	437.584	3.449	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1OC	ZINC000012111690	523940298	/nfs/dbraw/zinc/94/02/98/523940298.db2.gz	LETRRQBFANTHGI-GOSISDBHSA-N	1	0	436.549	3.171	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000035375197	523946053	/nfs/dbraw/zinc/94/60/53/523946053.db2.gz	NUXASOIAYFNQAH-IFKKBVHFSA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1	ZINC000020915699	524286851	/nfs/dbraw/zinc/28/68/51/524286851.db2.gz	FBNXMSLBYLIFBC-DEOSSOPVSA-N	1	0	449.595	3.465	50	0		IGAARO
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CC[NH+](CCC(N)=O)CC1	ZINC000020599567	525012522	/nfs/dbraw/zinc/01/25/22/525012522.db2.gz	LXJCGZISGNSHLL-UHFFFAOYSA-N	1	0	439.510	3.119	50	0		IGAARO
Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1	ZINC000017012377	525085771	/nfs/dbraw/zinc/08/57/71/525085771.db2.gz	QBXGPFICANUYOJ-UHFFFAOYSA-N	1	0	443.551	3.251	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CC[NH+](C)CC2)cc1	ZINC000022794282	525188085	/nfs/dbraw/zinc/18/80/85/525188085.db2.gz	DIKMMSSHXXOHQK-HXUWFJFHSA-N	1	0	432.362	3.176	50	0		IGAARO
Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1cccnc1	ZINC000022698076	525325306	/nfs/dbraw/zinc/32/53/06/525325306.db2.gz	SMAHGRGBRCSTJR-HSZRJFAPSA-N	1	0	438.959	3.296	50	0		IGAARO
Cc1ccc(Nc2nc(NC3CC(C)(C)[NH2+]C(C)(C)C3)nc(N3CCOCC3)n2)cc1	ZINC000012235164	525326676	/nfs/dbraw/zinc/32/66/76/525326676.db2.gz	FQNYBSSASAYUFZ-UHFFFAOYSA-N	1	0	425.581	3.481	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)c(C)c1	ZINC000012795409	525517724	/nfs/dbraw/zinc/51/77/24/525517724.db2.gz	MADPLODIZPZNIW-LJQANCHMSA-N	1	0	449.642	3.185	50	0		IGAARO
Cc1ccn(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1	ZINC000012298038	525594558	/nfs/dbraw/zinc/59/45/58/525594558.db2.gz	ORRKNBGDGCUIPA-QFIPXVFZSA-N	1	0	428.552	3.250	50	0		IGAARO
COc1cccc(C[C@@]2(C3CC[NH+](Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1	ZINC000012211401	526074108	/nfs/dbraw/zinc/07/41/08/526074108.db2.gz	IYSPNCWPZTYDII-DEOSSOPVSA-N	1	0	443.494	3.349	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000035398027	526250977	/nfs/dbraw/zinc/25/09/77/526250977.db2.gz	ZCTLIGVDZHXLPJ-AZUAARDMSA-N	1	0	425.552	3.490	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	ZINC000021860350	526251091	/nfs/dbraw/zinc/25/10/91/526251091.db2.gz	HHQSYSXBHQMACU-IBGZPJMESA-N	1	0	443.551	3.302	50	0		IGAARO
O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012458984	526407966	/nfs/dbraw/zinc/40/79/66/526407966.db2.gz	VYLAOMUHYKVGOE-DEOSSOPVSA-N	1	0	447.579	3.279	50	0		IGAARO
O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012202637	526408064	/nfs/dbraw/zinc/40/80/64/526408064.db2.gz	DYYKJQWOZXDYEK-FQEVSTJZSA-N	1	0	426.586	3.166	50	0		IGAARO
O=C(CCN(CCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1	ZINC000035421696	526473830	/nfs/dbraw/zinc/47/38/30/526473830.db2.gz	HURMBDJNQYNXKN-UHFFFAOYSA-N	1	0	433.474	3.212	50	0		IGAARO
O=C(CCN1C(=O)COc2ccccc21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000022619314	526478484	/nfs/dbraw/zinc/47/84/84/526478484.db2.gz	QJFXUHXSCVBMPA-FQEVSTJZSA-N	1	0	427.932	3.409	50	0		IGAARO
O=C(c1n[nH]c2c1CCC2)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012433315	526911626	/nfs/dbraw/zinc/91/16/26/526911626.db2.gz	VIEBNOUFDSPFOL-HSZRJFAPSA-N	1	0	448.611	3.399	50	0		IGAARO
O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCN1CCCCC1=O)N1CCCCCCC1	ZINC000012317342	526916673	/nfs/dbraw/zinc/91/66/73/526916673.db2.gz	RCEAPYFGIOUFKN-UHFFFAOYSA-N	1	0	445.995	3.496	50	0		IGAARO
Cc1nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)cc(N2CCCC2)[nH+]1	ZINC000021793655	526963968	/nfs/dbraw/zinc/96/39/68/526963968.db2.gz	DCTLZFMKAATLRI-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
O=C1c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C(=O)N1c1ccccc1Cl	ZINC000020533391	527127043	/nfs/dbraw/zinc/12/70/43/527127043.db2.gz	OXTNGEWCPZRVKG-KNTRCKAVSA-N	1	0	425.916	3.180	50	0		IGAARO
Cn1cnnc1Sc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)o1	ZINC000022914551	527530348	/nfs/dbraw/zinc/53/03/48/527530348.db2.gz	KADIWMMZSIGWCK-FQEVSTJZSA-N	1	0	438.601	3.346	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000035398025	527664480	/nfs/dbraw/zinc/66/44/80/527664480.db2.gz	WKZWDHDGIZEGQD-HXUWFJFHSA-N	1	0	425.552	3.491	50	0		IGAARO
O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccn1-c1nnc(N2CCCC2)s1	ZINC000021535257	527674200	/nfs/dbraw/zinc/67/42/00/527674200.db2.gz	KRDLSLKNZZKRQY-UHFFFAOYSA-N	1	0	436.585	3.107	50	0		IGAARO
Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2	ZINC000071889582	555725805	/nfs/dbraw/zinc/72/58/05/555725805.db2.gz	XAOROWSZTYBTBJ-KRWDZBQOSA-N	1	0	449.530	3.134	50	0		IGAARO
CCCCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1	ZINC000034831861	555912737	/nfs/dbraw/zinc/91/27/37/555912737.db2.gz	RBGCJBVXPSUHBC-UHFFFAOYSA-N	1	0	441.620	3.488	50	0		IGAARO
O[C@@H](C[NH2+]CCNc1nccc(C(F)(F)F)n1)COc1ccc(Cl)c(Cl)c1	ZINC000003467469	555935927	/nfs/dbraw/zinc/93/59/27/555935927.db2.gz	SINZMKKOALSSSA-JTQLQIEISA-N	1	0	425.238	3.244	50	0		IGAARO
O=C(c1cccc(Cl)c1)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	ZINC000009906764	556316037	/nfs/dbraw/zinc/31/60/37/556316037.db2.gz	CLPRLNIDUQTVOX-LJQANCHMSA-N	1	0	429.879	3.005	50	0		IGAARO
COc1ccc([C@@H](C[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)N2CCOCC2)cc1	ZINC000022920893	556340249	/nfs/dbraw/zinc/34/02/49/556340249.db2.gz	CRCNVMYREOJUIC-XMMPIXPASA-N	1	0	434.536	3.453	50	0		IGAARO
O=C(C=Cc1c[nH]cn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000011664328	556345272	/nfs/dbraw/zinc/34/52/72/556345272.db2.gz	OTEAHNKXPMBITC-DORXLWPQSA-N	1	0	426.536	3.482	50	0		IGAARO
COc1cccc(-n2c(CNC(=O)c3ccc(C)s3)nnc2SCC[NH+](C)C)c1	ZINC000011790837	556355777	/nfs/dbraw/zinc/35/57/77/556355777.db2.gz	JGUGMGWLMYLTLG-UHFFFAOYSA-N	1	0	431.587	3.230	50	0		IGAARO
Cc1csc(CNC(=O)c2cccc(OC3CC[NH+](C4CCN(C)CC4)CC3)c2)n1	ZINC000011816312	556358813	/nfs/dbraw/zinc/35/88/13/556358813.db2.gz	XLNYSJIBEVAZBR-UHFFFAOYSA-N	1	0	428.602	3.319	50	0		IGAARO
COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011819695	556361596	/nfs/dbraw/zinc/36/15/96/556361596.db2.gz	MEFYWGBHMKJJMI-OAQYLSRUSA-N	1	0	430.593	3.365	50	0		IGAARO
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc2c1OCO2	ZINC000011842815	556366372	/nfs/dbraw/zinc/36/63/72/556366372.db2.gz	ZUPBFKOJKCMSQZ-UHFFFAOYSA-N	1	0	435.484	3.105	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCc2cnn(C)c2)c1	ZINC000011878699	556371309	/nfs/dbraw/zinc/37/13/09/556371309.db2.gz	GZHPOILGNNGGGQ-UHFFFAOYSA-N	1	0	426.561	3.187	50	0		IGAARO
COc1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1	ZINC000032624547	556411423	/nfs/dbraw/zinc/41/14/23/556411423.db2.gz	ZIQOJWBCDKUWJQ-OAHLLOKOSA-N	1	0	442.566	3.348	50	0		IGAARO
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C/C(C)=C/c1ccccc1)CC2	ZINC000014532517	556421223	/nfs/dbraw/zinc/42/12/23/556421223.db2.gz	BLTAKZHCLZKQJF-HEHNFIMWSA-N	1	0	448.567	3.430	50	0		IGAARO
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccn1-c1ccccn1)CC2	ZINC000014535683	556423159	/nfs/dbraw/zinc/42/31/59/556423159.db2.gz	HJUFTRXZWJOIAH-UHFFFAOYSA-N	1	0	443.551	3.344	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2	ZINC000014543042	556426575	/nfs/dbraw/zinc/42/65/75/556426575.db2.gz	ZBASOSSHNRFWMG-UHFFFAOYSA-N	1	0	427.570	3.236	50	0		IGAARO
C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000032845471	556429438	/nfs/dbraw/zinc/42/94/38/556429438.db2.gz	LRLWMGYHTWDLDY-INIZCTEOSA-N	1	0	432.362	3.206	50	0		IGAARO
CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2	ZINC000014733553	556437785	/nfs/dbraw/zinc/43/77/85/556437785.db2.gz	CRLBYWQAOFDJFV-UHFFFAOYSA-N	1	0	433.552	3.481	50	0		IGAARO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2	ZINC000014744633	556440465	/nfs/dbraw/zinc/44/04/65/556440465.db2.gz	AILQPKKEMMFWEP-UHFFFAOYSA-N	1	0	436.556	3.342	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1Cl)C2	ZINC000014751917	556443711	/nfs/dbraw/zinc/44/37/11/556443711.db2.gz	JSUHMQPRPKDAHE-GOSISDBHSA-N	1	0	430.980	3.312	50	0		IGAARO
C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1	ZINC000014980342	556470229	/nfs/dbraw/zinc/47/02/29/556470229.db2.gz	VEQKANZWEMTNNE-UGKGYDQZSA-N	1	0	435.568	3.450	50	0		IGAARO
C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1	ZINC000014980332	556470233	/nfs/dbraw/zinc/47/02/33/556470233.db2.gz	VEQKANZWEMTNNE-DENIHFKCSA-N	1	0	435.568	3.450	50	0		IGAARO
COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](C[C@H](C)CCC=C(C)C)CC3)o1	ZINC000014988914	556473928	/nfs/dbraw/zinc/47/39/28/556473928.db2.gz	FQIQFKBRFOAELE-GOSISDBHSA-N	1	0	429.565	3.188	50	0		IGAARO
Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cn1	ZINC000014994390	556476923	/nfs/dbraw/zinc/47/69/23/556476923.db2.gz	FHGVKHLQYUEGRQ-QGZVFWFLSA-N	1	0	441.507	3.165	50	0		IGAARO
COc1cccc(-n2c(CNC(=O)c3sccc3C)nnc2SCC[NH+](C)C)c1	ZINC000015004082	556481155	/nfs/dbraw/zinc/48/11/55/556481155.db2.gz	HGOCWNOTUCLFKX-UHFFFAOYSA-N	1	0	431.587	3.230	50	0		IGAARO
CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@H]2COc4ccccc4O2)C3=O)CC1	ZINC000015070490	556495379	/nfs/dbraw/zinc/49/53/79/556495379.db2.gz	ZWCUSUWFXSOTBJ-SFHVURJKSA-N	1	0	449.551	3.291	50	0		IGAARO
COc1cc(-c2nnc(SCC[NH2+]CCO)n2C2CCCCC2)cc(OC)c1OC	ZINC000013524410	556512397	/nfs/dbraw/zinc/51/23/97/556512397.db2.gz	ZMOWQVQAKHNNAQ-UHFFFAOYSA-N	1	0	436.578	3.150	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000013573195	556523459	/nfs/dbraw/zinc/52/34/59/556523459.db2.gz	NRVYVQKGWHDFGW-PZTGFMGMSA-N	1	0	448.361	3.016	50	0		IGAARO
CSc1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1	ZINC000072308421	556566225	/nfs/dbraw/zinc/56/62/25/556566225.db2.gz	YYPAOGYLXJWDAE-IBGZPJMESA-N	1	0	442.629	3.498	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015999059	556572059	/nfs/dbraw/zinc/57/20/59/556572059.db2.gz	OITGREQAXLVEJB-QPXQOZNCSA-N	1	0	439.874	3.219	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016011877	556574260	/nfs/dbraw/zinc/57/42/60/556574260.db2.gz	AMZNLDQBZRCRRJ-KKPNIWNPSA-N	1	0	429.520	3.297	50	0		IGAARO
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1	ZINC000032970922	556588811	/nfs/dbraw/zinc/58/88/11/556588811.db2.gz	VFLDSQYPHHGVJO-HSZRJFAPSA-N	1	0	442.991	3.414	50	0		IGAARO
COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1	ZINC000016228269	556593528	/nfs/dbraw/zinc/59/35/28/556593528.db2.gz	CIYNZXSVQAOCIM-UHFFFAOYSA-N	1	0	426.538	3.254	50	0		IGAARO
Cc1nn(CCCC(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc3sccc3n21	ZINC000005109242	556636285	/nfs/dbraw/zinc/63/62/85/556636285.db2.gz	MYZALJNHTGCYKD-UHFFFAOYSA-N	1	0	429.590	3.182	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409413104	556640416	/nfs/dbraw/zinc/64/04/16/556640416.db2.gz	CNXJGIALSSQHTK-GHTZIAJQSA-N	1	0	426.561	3.008	50	0		IGAARO
O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1	ZINC000032929988	556673122	/nfs/dbraw/zinc/67/31/22/556673122.db2.gz	QAWNANGVVAJKIR-UHFFFAOYSA-N	1	0	426.520	3.060	50	0		IGAARO
COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCC[NH+]1CCCC1	ZINC000046009207	556690962	/nfs/dbraw/zinc/69/09/62/556690962.db2.gz	XSQPENYRKQBJQN-UHFFFAOYSA-N	1	0	439.535	3.330	50	0		IGAARO
CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCc4cscn4)c3)CC2)CC1	ZINC000019113663	556699994	/nfs/dbraw/zinc/69/99/94/556699994.db2.gz	ZFTSDVPEAXHWDN-UHFFFAOYSA-N	1	0	428.602	3.053	50	0		IGAARO
C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000033032588	556712768	/nfs/dbraw/zinc/71/27/68/556712768.db2.gz	JKURUXWKZRCUCP-KRWDZBQOSA-N	1	0	444.373	3.127	50	0		IGAARO
COCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1	ZINC000058023583	556754605	/nfs/dbraw/zinc/75/46/05/556754605.db2.gz	AIGZSEFDNLGKEV-UHFFFAOYSA-N	1	0	429.586	3.092	50	0		IGAARO
COCCn1c(C)c(C)nc1SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000058156577	556762821	/nfs/dbraw/zinc/76/28/21/556762821.db2.gz	LMVBOAHDZWRNAC-UHFFFAOYSA-N	1	0	434.631	3.426	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N3CCCc4ccccc43)c(=O)c2C1	ZINC000062007156	556765333	/nfs/dbraw/zinc/76/53/33/556765333.db2.gz	RYXSTYRRRJOKOA-UHFFFAOYSA-N	1	0	446.526	3.407	50	0		IGAARO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1	ZINC000058169028	556767409	/nfs/dbraw/zinc/76/74/09/556767409.db2.gz	MLYMOVNUUHOSHB-QNTHMWBDSA-N	1	0	440.588	3.075	50	0		IGAARO
CC(C)[C@@H](CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1)[NH+]1CCCCCC1	ZINC000058203118	556771630	/nfs/dbraw/zinc/77/16/30/556771630.db2.gz	PZUUZDUTNMMZIR-JOCHJYFZSA-N	1	0	440.592	3.222	50	0		IGAARO
Cc1ccc([C@H]2Cn3nnc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3CO2)cc1	ZINC000097943994	556814924	/nfs/dbraw/zinc/81/49/24/556814924.db2.gz	LHBCNBQLEKFPMC-HSZRJFAPSA-N	1	0	431.540	3.252	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@H+](C)C3CCCCC3)s2)cc1	ZINC000033060180	556816745	/nfs/dbraw/zinc/81/67/45/556816745.db2.gz	LYQHBRXFSNUMII-UHFFFAOYSA-N	1	0	431.562	3.183	50	0		IGAARO
Cc1ccnc(N2CCC[C@H](C(=O)NCC[N@H+](CCc3ccccc3)Cc3ccco3)C2)n1	ZINC000065001382	556830260	/nfs/dbraw/zinc/83/02/60/556830260.db2.gz	AKLAQLLZNMZAPA-QHCPKHFHSA-N	1	0	447.583	3.456	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1	ZINC000019609052	556831520	/nfs/dbraw/zinc/83/15/20/556831520.db2.gz	NVTVDQKCYJMZBD-IBGZPJMESA-N	1	0	436.597	3.169	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	ZINC000334160582	556836778	/nfs/dbraw/zinc/83/67/78/556836778.db2.gz	HXEIHKHFFOBEJW-CVDCTZTESA-N	1	0	426.561	3.438	50	0		IGAARO
CCC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CC[NH+](C)CC3)c3ccccc3n2)cc1	ZINC000033106303	556858670	/nfs/dbraw/zinc/85/86/70/556858670.db2.gz	IXXIDYCPOYFVDR-UHFFFAOYSA-N	1	0	445.567	3.228	50	0		IGAARO
CCCC[N@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCC)C1)Cc1ccccc1	ZINC000004712207	556890345	/nfs/dbraw/zinc/89/03/45/556890345.db2.gz	FVFNIYQSBAWCPI-QFIPXVFZSA-N	1	0	437.650	3.247	50	0		IGAARO
Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)CC1	ZINC000019789581	556914603	/nfs/dbraw/zinc/91/46/03/556914603.db2.gz	VXXOSVXNNHSAGF-XMMPIXPASA-N	1	0	437.607	3.472	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)cc1C	ZINC000019838081	556928775	/nfs/dbraw/zinc/92/87/75/556928775.db2.gz	MJGLBCBRVLNZOX-DEOSSOPVSA-N	1	0	434.584	3.473	50	0		IGAARO
O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1c1ccc(Br)cn1	ZINC000019894206	556940460	/nfs/dbraw/zinc/94/04/60/556940460.db2.gz	NPHIVQXBFCSWLE-UHFFFAOYSA-N	1	0	437.297	3.208	50	0		IGAARO
O=C([C@@H]1CCCN(c2nnc3ccc(Cl)cn32)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000097087078	556983285	/nfs/dbraw/zinc/98/32/85/556983285.db2.gz	YQVHDLUEEHXICT-QGZVFWFLSA-N	1	0	430.984	3.076	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	ZINC000020209118	556998264	/nfs/dbraw/zinc/99/82/64/556998264.db2.gz	FSMKVVGWSRPLQS-INIZCTEOSA-N	1	0	425.483	3.414	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	ZINC000020209114	556998275	/nfs/dbraw/zinc/99/82/75/556998275.db2.gz	FSMKVVGWSRPLQS-MRXNPFEDSA-N	1	0	425.483	3.414	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cccn3-c3ncccn3)C2)cc1OC	ZINC000020322404	557007700	/nfs/dbraw/zinc/00/77/00/557007700.db2.gz	CMQGASSUSPJRPI-OAQYLSRUSA-N	1	0	435.572	3.423	50	0		IGAARO
Cc1cccc(C[NH+]2CCN([C@H]3CCc4c(c(C(=O)N5CCCCC5)nn4C)C3)CC2)c1	ZINC000023354177	557086625	/nfs/dbraw/zinc/08/66/25/557086625.db2.gz	KMFSCLRHBWBVOD-QFIPXVFZSA-N	1	0	435.616	3.030	50	0		IGAARO
COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)c1	ZINC000049543484	557110593	/nfs/dbraw/zinc/11/05/93/557110593.db2.gz	XDPFAZYNTMVSDJ-MAUKXSAKSA-N	1	0	446.935	3.095	50	0		IGAARO
COc1cccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)c1	ZINC000024836707	557166427	/nfs/dbraw/zinc/16/64/27/557166427.db2.gz	YEFXTZAZHSHDLZ-VWLOTQADSA-N	1	0	445.563	3.460	50	0		IGAARO
Cc1sc2ncn(CCC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c(=O)c2c1C	ZINC000025384319	557206591	/nfs/dbraw/zinc/20/65/91/557206591.db2.gz	FSJZGZQVEXIGBX-MRXNPFEDSA-N	1	0	430.599	3.480	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1	ZINC000018019177	557219027	/nfs/dbraw/zinc/21/90/27/557219027.db2.gz	OIBUUMZIGKFIBD-FQEVSTJZSA-N	1	0	449.642	3.348	50	0		IGAARO
Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C2)cc1	ZINC000032974682	557320034	/nfs/dbraw/zinc/32/00/34/557320034.db2.gz	KIDWQRWSVYGTBR-QFIPXVFZSA-N	1	0	432.568	3.268	50	0		IGAARO
COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cccc(OC)c3)CC2)C1=O	ZINC000014539057	557340512	/nfs/dbraw/zinc/34/05/12/557340512.db2.gz	LCLJVEIFJVOVFY-UHFFFAOYSA-N	1	0	437.540	3.141	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1	ZINC000023478410	557363496	/nfs/dbraw/zinc/36/34/96/557363496.db2.gz	HSTDQCLJBMGNKW-VWLOTQADSA-N	1	0	432.568	3.341	50	0		IGAARO
CC(C)C[NH+](CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O)CC(C)C	ZINC000004916414	557404237	/nfs/dbraw/zinc/40/42/37/557404237.db2.gz	YTWHBQFDWUUBLN-UHFFFAOYSA-N	1	0	425.577	3.009	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000105018839	557473118	/nfs/dbraw/zinc/47/31/18/557473118.db2.gz	JWLFTULVMUABGI-UPVQGACJSA-N	1	0	440.584	3.341	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000106535904	557529890	/nfs/dbraw/zinc/52/98/90/557529890.db2.gz	DTKIXLBQVYIXOU-LYXWCMDISA-N	1	0	435.911	3.388	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000107177033	557535437	/nfs/dbraw/zinc/53/54/37/557535437.db2.gz	JIQQEKSTGQDPMV-XMODTWTHSA-N	1	0	435.911	3.388	50	0		IGAARO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000040153453	557704773	/nfs/dbraw/zinc/70/47/73/557704773.db2.gz	LGADZMFQYKBDMT-ZDUSSCGKSA-N	1	0	430.412	3.400	50	0		IGAARO
COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)C2	ZINC000014991273	557836042	/nfs/dbraw/zinc/83/60/42/557836042.db2.gz	YVDJFEVOOQFHED-JPYJTQIMSA-N	1	0	441.547	3.371	50	0		IGAARO
COc1cc([C@H]2[NH2+]CC3(CCOCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC	ZINC000002123997	562925963	/nfs/dbraw/zinc/92/59/63/562925963.db2.gz	LBGNLEWEKFROPE-JOCHJYFZSA-N	1	0	427.497	3.224	50	0		IGAARO
CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSC(N)=[NH2+]	ZINC000003878285	562939200	/nfs/dbraw/zinc/93/92/00/562939200.db2.gz	WVVNFQKEGWCRFU-UHFFFAOYSA-N	1	0	428.308	3.169	50	0		IGAARO
CC1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1	ZINC000004101192	562941860	/nfs/dbraw/zinc/94/18/60/562941860.db2.gz	PGFBJYQNMVUHEY-UHFFFAOYSA-N	1	0	436.549	3.386	50	0		IGAARO
CCCC[N@H+](CC)CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O	ZINC000008665031	562960424	/nfs/dbraw/zinc/96/04/24/562960424.db2.gz	QICZWONRXKFYPA-UHFFFAOYSA-N	1	0	435.572	3.011	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000009739065	562976263	/nfs/dbraw/zinc/97/62/63/562976263.db2.gz	PTFIDPVNFKUGMI-UHFFFAOYSA-N	1	0	441.597	3.305	50	0		IGAARO
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000012975173	562983741	/nfs/dbraw/zinc/98/37/41/562983741.db2.gz	AGQDDNGWZDVEGG-DLBZAZTESA-N	1	0	435.615	3.027	50	0		IGAARO
O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000015140029	568689894	/nfs/dbraw/zinc/68/98/94/568689894.db2.gz	MVRSMLZRHJCFLS-UHFFFAOYSA-N	1	0	430.346	3.091	50	0		IGAARO
CC[NH+]1CCC(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C[C@H]2C(=O)OC)CC1	ZINC000299757456	568755378	/nfs/dbraw/zinc/75/53/78/568755378.db2.gz	HRNGWMYKGGQQEW-VWNXMTODSA-N	1	0	449.595	3.035	50	0		IGAARO
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000263586599	568759286	/nfs/dbraw/zinc/75/92/86/568759286.db2.gz	WBMHHMMWJHPINJ-PIBDYAPNSA-N	1	0	438.535	3.341	50	0		IGAARO
CC(C)N1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2	ZINC000032513730	568812323	/nfs/dbraw/zinc/81/23/23/568812323.db2.gz	GUTHJYKYBYCVRD-RTWAWAEBSA-N	1	0	443.975	3.369	50	0		IGAARO
O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CC[NH+](C2CCCCC2)CC1	ZINC000015727976	568812943	/nfs/dbraw/zinc/81/29/43/568812943.db2.gz	JSKVNPJYDRPBLY-UHFFFAOYSA-N	1	0	428.606	3.022	50	0		IGAARO
C[C@@H]1CSc2ccc(S(=O)(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2NC1=O	ZINC000015731222	568814703	/nfs/dbraw/zinc/81/47/03/568814703.db2.gz	ZQHUHJJUUJAINF-OAHLLOKOSA-N	1	0	449.598	3.245	50	0		IGAARO
C[C@@H]1CSc2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2NC1=O	ZINC000015731166	568814707	/nfs/dbraw/zinc/81/47/07/568814707.db2.gz	DBHGGZGGLREJJK-MRXNPFEDSA-N	1	0	445.610	3.094	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000583652762	568837755	/nfs/dbraw/zinc/83/77/55/568837755.db2.gz	YTSZHHLZYOSNQG-HJOGWXRNSA-N	1	0	441.616	3.165	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C	ZINC000575443969	568869746	/nfs/dbraw/zinc/86/97/46/568869746.db2.gz	FEXUYIURTHKPTA-UYAOXDASSA-N	1	0	428.577	3.215	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245242288	568913335	/nfs/dbraw/zinc/91/33/35/568913335.db2.gz	XHHWFEGPPWWFRP-GSRZOBFVSA-N	1	0	435.911	3.388	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000008351393	568940167	/nfs/dbraw/zinc/94/01/67/568940167.db2.gz	AYOFAACBIZSLQN-MRXNPFEDSA-N	1	0	427.998	3.119	50	0		IGAARO
CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064787497	568956315	/nfs/dbraw/zinc/95/63/15/568956315.db2.gz	YIKJKXZELDBVCB-JOCHJYFZSA-N	1	0	445.567	3.478	50	0		IGAARO
COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000169678923	568990166	/nfs/dbraw/zinc/99/01/66/568990166.db2.gz	PLFUDBZSNURWRP-IRLDBZIGSA-N	1	0	447.501	3.331	50	0		IGAARO
CCOC[C@@H](O)CN(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313035	568998072	/nfs/dbraw/zinc/99/80/72/568998072.db2.gz	SMCYUWWBHPMGMS-NRFANRHFSA-N	1	0	430.593	3.093	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)CCCn1nc(CC)n2c3cc(C)oc3cc2c1=O	ZINC000006821710	569078141	/nfs/dbraw/zinc/07/81/41/569078141.db2.gz	FBYWCWREJXMKIQ-UHFFFAOYSA-N	1	0	429.565	3.131	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)NCc1ccc(C)c(C)c1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153590	569112084	/nfs/dbraw/zinc/11/20/84/569112084.db2.gz	KFSWBUHTWGQZJI-UHFFFAOYSA-N	1	0	444.579	3.297	50	0		IGAARO
O=C(c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1	ZINC000065255819	569123017	/nfs/dbraw/zinc/12/30/17/569123017.db2.gz	LUIGHIJNDJQTEA-XMMPIXPASA-N	1	0	427.552	3.195	50	0		IGAARO
CCC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1	ZINC000065270891	569127606	/nfs/dbraw/zinc/12/76/06/569127606.db2.gz	NGVDDYXTPZNUCK-UHFFFAOYSA-N	1	0	447.514	3.004	50	0		IGAARO
CC[NH+]1CCC(CCNC(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)CC1	ZINC000065283426	569130155	/nfs/dbraw/zinc/13/01/55/569130155.db2.gz	GWLCUKRFDOOOCJ-UHFFFAOYSA-N	1	0	433.647	3.405	50	0		IGAARO
CC(C)(C)OC(=O)NC1CC[NH+](CCCC(=O)N2CC[C@@H](Nc3ccccc3)C2)CC1	ZINC000170595796	569141745	/nfs/dbraw/zinc/14/17/45/569141745.db2.gz	YQHLLWFXHQLQPF-OAQYLSRUSA-N	1	0	430.593	3.469	50	0		IGAARO
O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000170614647	569146409	/nfs/dbraw/zinc/14/64/09/569146409.db2.gz	ALZOIYVVWPBNLY-WOJBJXKFSA-N	1	0	429.446	3.194	50	0		IGAARO
CN1CCN(c2nnc(-n3cccc3C[NH2+]Cc3cccc(Br)c3)s2)CC1	ZINC000009265781	569175532	/nfs/dbraw/zinc/17/55/32/569175532.db2.gz	BZBNYPKHMHXLJV-UHFFFAOYSA-N	1	0	447.406	3.133	50	0		IGAARO
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000252571509	569191144	/nfs/dbraw/zinc/19/11/44/569191144.db2.gz	YBVPPAKNYCYABQ-YUXAGFNASA-N	1	0	445.604	3.447	50	0		IGAARO
C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1	ZINC000037524209	569198364	/nfs/dbraw/zinc/19/83/64/569198364.db2.gz	ZWAVZPQQRBNNLL-UHFFFAOYSA-N	1	0	442.991	3.420	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000037523974	569198397	/nfs/dbraw/zinc/19/83/97/569198397.db2.gz	JWLFTULVMUABGI-LADGPHEKSA-N	1	0	440.584	3.341	50	0		IGAARO
COc1ccc(CCC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1	ZINC000581819706	569211472	/nfs/dbraw/zinc/21/14/72/569211472.db2.gz	CYWBMLXBBNBNJN-HSZRJFAPSA-N	1	0	443.632	3.194	50	0		IGAARO
COc1cccc(CC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)c1	ZINC000581819742	569211655	/nfs/dbraw/zinc/21/16/55/569211655.db2.gz	HAUVUOWHCWWRJH-HSZRJFAPSA-N	1	0	443.632	3.052	50	0		IGAARO
O=C(c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1)N1CCN(c2ccccc2)CC1	ZINC000065256316	569263360	/nfs/dbraw/zinc/26/33/60/569263360.db2.gz	OLTSYTAOXUOSRP-XMMPIXPASA-N	1	0	427.552	3.195	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000253389807	569264324	/nfs/dbraw/zinc/26/43/24/569264324.db2.gz	KAGCDJKHLXHNNM-OKFYXZINSA-N	1	0	435.911	3.388	50	0		IGAARO
C[C@H]([NH2+]CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1	ZINC000013112869	569310452	/nfs/dbraw/zinc/31/04/52/569310452.db2.gz	MCOUBMKODGRIEE-KRWDZBQOSA-N	1	0	439.537	3.202	50	0		IGAARO
O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000020416578	569364612	/nfs/dbraw/zinc/36/46/12/569364612.db2.gz	FEDLDDTZJODQPL-UHFFFAOYSA-N	1	0	443.551	3.223	50	0		IGAARO
CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000095451697	569367920	/nfs/dbraw/zinc/36/79/20/569367920.db2.gz	PVQHRWGKOIAPBW-RDPSFJRHSA-N	1	0	437.625	3.421	50	0		IGAARO
CC1CC[NH+](CCc2cccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)c2)CC1	ZINC000095455585	569368528	/nfs/dbraw/zinc/36/85/28/569368528.db2.gz	YIRASTLFBIAASQ-UHFFFAOYSA-N	1	0	435.615	3.282	50	0		IGAARO
CCOc1cc(C[NH2+]C2(C(N)=O)CCCCC2)ccc1OCC(=O)Nc1ccccc1	ZINC000095467764	569371202	/nfs/dbraw/zinc/37/12/02/569371202.db2.gz	ZMQVRHLHQGJKLN-UHFFFAOYSA-N	1	0	425.529	3.381	50	0		IGAARO
COc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)COCc1ccc2c(c1)OCO2	ZINC000002620068	569410797	/nfs/dbraw/zinc/41/07/97/569410797.db2.gz	KRCQOGGQZSLXCH-QGZVFWFLSA-N	1	0	438.318	3.196	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3ccc(C)c(C)c3NC2=O)cc1C	ZINC000230000344	569417127	/nfs/dbraw/zinc/41/71/27/569417127.db2.gz	QFCXCRVWKIHTAA-LMMUWCHVSA-N	1	0	429.520	3.351	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000057140703	569429737	/nfs/dbraw/zinc/42/97/37/569429737.db2.gz	FQPBDXQOOCIIQC-OFERSUALSA-N	1	0	429.904	3.450	50	0		IGAARO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1	ZINC000057315410	569430953	/nfs/dbraw/zinc/43/09/53/569430953.db2.gz	FQHKHTMTKHNDHD-QGZVFWFLSA-N	1	0	431.558	3.159	50	0		IGAARO
COC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1Cl	ZINC000067285828	569466950	/nfs/dbraw/zinc/46/69/50/569466950.db2.gz	ITKYFUIXPMUGEW-NRFANRHFSA-N	1	0	446.979	3.071	50	0		IGAARO
CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1	ZINC000067286725	569467153	/nfs/dbraw/zinc/46/71/53/569467153.db2.gz	RGZSLKLTIPXAKY-NRFANRHFSA-N	1	0	431.533	3.141	50	0		IGAARO
O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000008893154	569483552	/nfs/dbraw/zinc/48/35/52/569483552.db2.gz	ZEPMSJAIIPJYRS-SFHVURJKSA-N	1	0	429.542	3.191	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)C1	ZINC000040146738	569492320	/nfs/dbraw/zinc/49/23/20/569492320.db2.gz	AEVSRLZHANTXSV-KBMIEXCESA-N	1	0	440.588	3.004	50	0		IGAARO
CC(C)[N@H+](C)Cc1ccc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1	ZINC000040156447	569494139	/nfs/dbraw/zinc/49/41/39/569494139.db2.gz	MWDJKYHTJGDRSZ-UHFFFAOYSA-N	1	0	437.584	3.461	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1	ZINC000245228537	569499907	/nfs/dbraw/zinc/49/99/07/569499907.db2.gz	JMVAICMXEKIGAQ-YHYVQYDKSA-N	1	0	441.597	3.276	50	0		IGAARO
Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21	ZINC000009603920	569551865	/nfs/dbraw/zinc/55/18/65/569551865.db2.gz	XJOXFMCLQONLBT-UHFFFAOYSA-N	1	0	446.598	3.063	50	0		IGAARO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000009712033	569562118	/nfs/dbraw/zinc/56/21/18/569562118.db2.gz	KFZHYRHJRVQPKM-NRFANRHFSA-N	1	0	445.585	3.411	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3sc(C)cc3n21	ZINC000009848637	569571253	/nfs/dbraw/zinc/57/12/53/569571253.db2.gz	YWDKGXOJGOPLJT-IYBDPMFKSA-N	1	0	443.617	3.351	50	0		IGAARO
O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000002183638	132248553	/nfs/dbraw/zinc/24/85/53/132248553.db2.gz	OEYDVYNTKKLWOG-IBGZPJMESA-N	1	0	438.494	3.424	50	0		IGAARO
CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1	ZINC000008607904	132287371	/nfs/dbraw/zinc/28/73/71/132287371.db2.gz	BSUABAVPGXWSTP-VWLOTQADSA-N	1	0	448.611	3.300	50	0		IGAARO
Cc1cc(N2CCN(Cc3c(C(=O)N4CCCCC4)nc4sccn34)CC2)cc(C)[nH+]1	ZINC000011664222	132338389	/nfs/dbraw/zinc/33/83/89/132338389.db2.gz	FPDPMVKGFYGHMQ-UHFFFAOYSA-N	1	0	438.601	3.356	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)N3CCC([N@@H+](C)C(C)C)CC3)cc21	ZINC000035426925	519532383	/nfs/dbraw/zinc/53/23/83/519532383.db2.gz	WXTLIAJYNOVHBT-UHFFFAOYSA-N	1	0	425.620	3.029	50	0		IGAARO
CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1	ZINC000035991237	520515085	/nfs/dbraw/zinc/51/50/85/520515085.db2.gz	BHJGZLKUHASDAL-HSZRJFAPSA-N	1	0	442.604	3.351	50	0		IGAARO
CC[NH+](CC)CCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)CC1	ZINC000020564074	520668374	/nfs/dbraw/zinc/66/83/74/520668374.db2.gz	BFKGVFYKXJCRJX-UHFFFAOYSA-N	1	0	449.603	3.107	50	0		IGAARO
CCN(CC)S(=O)(=O)c1cccc([N+]2=C3CCCCCN3[C@@](O)(c3ccccc3)C2)c1	ZINC000012561736	520818233	/nfs/dbraw/zinc/81/82/33/520818233.db2.gz	VJVJZTZXVRAIPZ-DEOSSOPVSA-N	1	0	442.605	3.367	50	0		IGAARO
CC[N@H+](CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1	ZINC000020512726	521015796	/nfs/dbraw/zinc/01/57/96/521015796.db2.gz	PCRFOFSSEQMKFI-UHFFFAOYSA-N	1	0	431.540	3.068	50	0		IGAARO
CC[NH+]1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000021098089	521695411	/nfs/dbraw/zinc/69/54/11/521695411.db2.gz	FOLRDRBMRFHUOR-XMMPIXPASA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)/C=C/c3ccco3)CC2)c(Cl)c1	ZINC000012571978	521786482	/nfs/dbraw/zinc/78/64/82/521786482.db2.gz	MVBNJNVUHWRFDB-SOFGYWHQSA-N	1	0	445.947	3.308	50	0		IGAARO
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]3CCCC[C@H]23)c(Cl)cc1Cl	ZINC000012416730	521970687	/nfs/dbraw/zinc/97/06/87/521970687.db2.gz	RCTJTKDCQITONR-DQYPLSBCSA-N	1	0	448.416	3.236	50	0		IGAARO
COc1cc(Br)cc(C[NH2+]CCN2CCOCC2)c1OCc1ccccc1	ZINC000020477783	522026140	/nfs/dbraw/zinc/02/61/40/522026140.db2.gz	RSUNXSCHWMRPQT-UHFFFAOYSA-N	1	0	435.362	3.459	50	0		IGAARO
COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012718940	522354836	/nfs/dbraw/zinc/35/48/36/522354836.db2.gz	HVJYKQQGNGJRHM-HXUWFJFHSA-N	1	0	432.565	3.024	50	0		IGAARO
COc1cc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)cc2c1OCO2	ZINC000012079045	522368729	/nfs/dbraw/zinc/36/87/29/522368729.db2.gz	VWBNPYFKXJUNSN-KRWDZBQOSA-N	1	0	446.573	3.203	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC3)cc1	ZINC000012332788	523704261	/nfs/dbraw/zinc/70/42/61/523704261.db2.gz	MQWPBZJDPUUZSM-FQEVSTJZSA-N	1	0	439.604	3.500	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)CCn3cccn3)CC2)c(Cl)c1	ZINC000012711333	523926731	/nfs/dbraw/zinc/92/67/31/523926731.db2.gz	GVVVCBVFBFVWOW-QGZVFWFLSA-N	1	0	434.968	3.235	50	0		IGAARO
COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@@H]2CCSC2)CC3)cc1	ZINC000014741886	523944345	/nfs/dbraw/zinc/94/43/45/523944345.db2.gz	CALDEDXQMSTDIM-HXUWFJFHSA-N	1	0	445.629	3.498	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035855699	524059542	/nfs/dbraw/zinc/05/95/42/524059542.db2.gz	PGRHCBYLMMDTGD-ZUVQJFRASA-N	1	0	429.520	3.297	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1	ZINC000033088545	524223536	/nfs/dbraw/zinc/22/35/36/524223536.db2.gz	BVJICDSZDLMWGU-CYBMUJFWSA-N	1	0	436.438	3.255	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)c(C)c1	ZINC000012783253	524315588	/nfs/dbraw/zinc/31/55/88/524315588.db2.gz	KFFRZGNRZDREHC-UHFFFAOYSA-N	1	0	435.634	3.002	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)CNC(=O)Cc1cccc2ccccc21)[NH+]1CCCC1	ZINC000012793311	524733928	/nfs/dbraw/zinc/73/39/28/524733928.db2.gz	QRWJPUMHJWCERO-XMMPIXPASA-N	1	0	445.563	3.460	50	0		IGAARO
C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[N@@H+](C3CCCC3)CC2)C[C@H](C)O1	ZINC000022913981	524885031	/nfs/dbraw/zinc/88/50/31/524885031.db2.gz	PYBPOXGYXMCSKU-HDICACEKSA-N	1	0	445.633	3.096	50	0		IGAARO
C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O	ZINC000022619665	525067230	/nfs/dbraw/zinc/06/72/30/525067230.db2.gz	TTXIRJUOUJVWDH-OXQOHEQNSA-N	1	0	427.932	3.407	50	0		IGAARO
Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)C2)n1	ZINC000035454330	525668181	/nfs/dbraw/zinc/66/81/81/525668181.db2.gz	XONMBEUECBMFLY-OAQYLSRUSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)NCCSCc2cccs2)cc1	ZINC000023473107	525760203	/nfs/dbraw/zinc/76/02/03/525760203.db2.gz	HDLFFDAQVCBHHI-OAQYLSRUSA-N	1	0	433.643	3.069	50	0		IGAARO
O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCn1ccnc1)N1CCc2ccccc2C1	ZINC000012445824	526917967	/nfs/dbraw/zinc/91/79/67/526917967.db2.gz	ORUJEQUONQUULY-UHFFFAOYSA-N	1	0	434.931	3.173	50	0		IGAARO
NC(=O)c1ccc(NC(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000020766674	527058435	/nfs/dbraw/zinc/05/84/35/527058435.db2.gz	SJAONULVCHCYMX-UHFFFAOYSA-N	1	0	426.520	3.112	50	0		IGAARO
O=C(Nc1ccc(N2CCC([NH+]3CCN(CCO)CC3)CC2)cc1)c1cccc(Cl)c1	ZINC000020598252	527221360	/nfs/dbraw/zinc/22/13/60/527221360.db2.gz	UVVXEWZTVUQONM-UHFFFAOYSA-N	1	0	442.991	3.171	50	0		IGAARO
Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)ccc2F)C4)cn1	ZINC000020598231	527240649	/nfs/dbraw/zinc/24/06/49/527240649.db2.gz	OHUXHHQVMOYVEG-INIZCTEOSA-N	1	0	441.507	3.165	50	0		IGAARO
O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@@H]([NH2+]CCCn1ccnc1)CC3	ZINC000015068913	527459774	/nfs/dbraw/zinc/45/97/74/527459774.db2.gz	JFBPXXBCWPESAD-SFHVURJKSA-N	1	0	437.544	3.379	50	0		IGAARO
COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000034680136	555813480	/nfs/dbraw/zinc/81/34/80/555813480.db2.gz	FRARCCJKIKTFLA-UHFFFAOYSA-N	1	0	437.584	3.319	50	0		IGAARO
CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)COC)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034831342	555912709	/nfs/dbraw/zinc/91/27/09/555912709.db2.gz	XGEDCFGWICEPHF-UHFFFAOYSA-N	1	0	445.583	3.093	50	0		IGAARO
CC1CCC2(CC1)OC[C@@H](C(=O)NCC[NH+]1CCCCC1)N2C(=O)c1ccc(F)cc1	ZINC000034920280	555931160	/nfs/dbraw/zinc/93/11/60/555931160.db2.gz	MEIRRWASEHTRQP-VZQLXNMESA-N	1	0	431.552	3.175	50	0		IGAARO
CN(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000006174056	556079326	/nfs/dbraw/zinc/07/93/26/556079326.db2.gz	GFQXQWLZOGGYQK-UHFFFAOYSA-N	1	0	436.405	3.039	50	0		IGAARO
COc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1	ZINC000013733209	556296736	/nfs/dbraw/zinc/29/67/36/556296736.db2.gz	CKLJXSVBLMDOQS-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC	ZINC000013940002	556337547	/nfs/dbraw/zinc/33/75/47/556337547.db2.gz	AYTVJRUBYFFLMR-UHFFFAOYSA-N	1	0	440.540	3.346	50	0		IGAARO
CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC000011783624	556352046	/nfs/dbraw/zinc/35/20/46/556352046.db2.gz	JHAJQWVRFWOSST-LJQANCHMSA-N	1	0	432.572	3.421	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2Cl)c1COC	ZINC000011784105	556352506	/nfs/dbraw/zinc/35/25/06/556352506.db2.gz	YCSKOBCFETYENT-LJQANCHMSA-N	1	0	445.991	3.413	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000032795677	556357781	/nfs/dbraw/zinc/35/77/81/556357781.db2.gz	XARPHBSKSNKWSX-QGZVFWFLSA-N	1	0	430.346	3.180	50	0		IGAARO
CCS(=O)(=O)c1ncc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)n1CCc1ccccc1	ZINC000011819257	556361013	/nfs/dbraw/zinc/36/10/13/556361013.db2.gz	KWOUPRATHPAWHE-DEOSSOPVSA-N	1	0	444.645	3.227	50	0		IGAARO
CC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)CC1	ZINC000011841364	556365213	/nfs/dbraw/zinc/36/52/13/556365213.db2.gz	YXKCEDOVQZYTNI-UHFFFAOYSA-N	1	0	437.588	3.492	50	0		IGAARO
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](CCC(C)C)CC3)o1	ZINC000011882122	556373672	/nfs/dbraw/zinc/37/36/72/556373672.db2.gz	XFHRXNGFXJDDEG-IBGZPJMESA-N	1	0	431.581	3.439	50	0		IGAARO
Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2ccc(N3CCNC3=O)cc2)C1	ZINC000012058295	556395125	/nfs/dbraw/zinc/39/51/25/556395125.db2.gz	GRJPCPWDQJHBJU-HSZRJFAPSA-N	1	0	448.611	3.480	50	0		IGAARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000014230080	556396743	/nfs/dbraw/zinc/39/67/43/556396743.db2.gz	LNMBNMIOZPPXHK-UHFFFAOYSA-N	1	0	441.597	3.387	50	0		IGAARO
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000014247721	556407440	/nfs/dbraw/zinc/40/74/40/556407440.db2.gz	GQJSUDOJNBMZHW-FQEVSTJZSA-N	1	0	447.626	3.490	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2	ZINC000012995950	556431139	/nfs/dbraw/zinc/43/11/39/556431139.db2.gz	OMVHIEBQLQNSQR-WZONZLPQSA-N	1	0	426.582	3.436	50	0		IGAARO
Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)ccc1Cl	ZINC000022936082	556438171	/nfs/dbraw/zinc/43/81/71/556438171.db2.gz	PRHMSEQKISRQJF-UHFFFAOYSA-N	1	0	441.963	3.300	50	0		IGAARO
CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2	ZINC000014741089	556438730	/nfs/dbraw/zinc/43/87/30/556438730.db2.gz	CYEXUYVEVBOJBX-UHFFFAOYSA-N	1	0	432.568	3.300	50	0		IGAARO
CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1	ZINC000014879761	556453121	/nfs/dbraw/zinc/45/31/21/556453121.db2.gz	OWSRJNBAEMFHND-SFHVURJKSA-N	1	0	449.555	3.235	50	0		IGAARO
O=C(CCOc1ccccc1)N1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1	ZINC000072276935	556457020	/nfs/dbraw/zinc/45/70/20/556457020.db2.gz	WAKJPGAAMZXUBA-UHFFFAOYSA-N	1	0	441.616	3.465	50	0		IGAARO
O=C(c1ccc(=O)[nH]c1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000014978351	556469619	/nfs/dbraw/zinc/46/96/19/556469619.db2.gz	CVMDUKXSRCAUHZ-NRFANRHFSA-N	1	0	427.520	3.047	50	0		IGAARO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1	ZINC000013164101	556495696	/nfs/dbraw/zinc/49/56/96/556495696.db2.gz	HBSPWCZMFKZONL-UHFFFAOYSA-N	1	0	447.988	3.307	50	0		IGAARO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1	ZINC000015536735	556533515	/nfs/dbraw/zinc/53/35/15/556533515.db2.gz	QHFUNNKXNSIAFM-FUHIMQAGSA-N	1	0	449.642	3.447	50	0		IGAARO
Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NCC[NH+]2CCCCC2)CC1	ZINC000033115097	556554321	/nfs/dbraw/zinc/55/43/21/556554321.db2.gz	PTIQRSPXNLMWKJ-UHFFFAOYSA-N	1	0	437.588	3.025	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009683	556573707	/nfs/dbraw/zinc/57/37/07/556573707.db2.gz	RQDAMGYMMJIFCQ-UAKAABGRSA-N	1	0	435.911	3.334	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000016024783	556576275	/nfs/dbraw/zinc/57/62/75/556576275.db2.gz	WXLRQONPYAAKCJ-SXTKOZQMSA-N	1	0	437.927	3.102	50	0		IGAARO
C[C@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1)c1ccccc1	ZINC000072311471	556583880	/nfs/dbraw/zinc/58/38/80/556583880.db2.gz	HGKLUDGOBFKHOI-ROUUACIJSA-N	1	0	431.602	3.432	50	0		IGAARO
O=C(CCn1nc(-c2cccs2)oc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000022968495	556610774	/nfs/dbraw/zinc/61/07/74/556610774.db2.gz	JLMSFZGYPVSMIF-UHFFFAOYSA-N	1	0	446.960	3.389	50	0		IGAARO
COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1	ZINC000005057786	556628054	/nfs/dbraw/zinc/62/80/54/556628054.db2.gz	DDPODYPLPTXOCJ-KCQAZUKKSA-N	1	0	427.589	3.326	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c2cc3sccc3n21	ZINC000005109034	556636200	/nfs/dbraw/zinc/63/62/00/556636200.db2.gz	NJDLGULWXPZTSU-HZPDHXFCSA-N	1	0	429.590	3.042	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1	ZINC000409414605	556640069	/nfs/dbraw/zinc/64/00/69/556640069.db2.gz	NIIYAGOWCIKFTN-FCEUIQTBSA-N	1	0	440.588	3.396	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000409413600	556640769	/nfs/dbraw/zinc/64/07/69/556640769.db2.gz	CNERGUVGRNBIAY-CEMLEFRQSA-N	1	0	440.588	3.348	50	0		IGAARO
CCOc1cc(CNCCC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040720862	556646913	/nfs/dbraw/zinc/64/69/13/556646913.db2.gz	BIPUPWUUMYHRMD-UHFFFAOYSA-N	1	0	449.979	3.126	50	0		IGAARO
CC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1	ZINC000248041625	556658166	/nfs/dbraw/zinc/65/81/66/556658166.db2.gz	UZMPTRFNNKSFLX-SIKLNZKXSA-N	1	0	446.613	3.281	50	0		IGAARO
COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011842404	556660507	/nfs/dbraw/zinc/66/05/07/556660507.db2.gz	BKAQUTGOHYLCTC-QFIPXVFZSA-N	1	0	428.577	3.123	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000033862618	556679335	/nfs/dbraw/zinc/67/93/35/556679335.db2.gz	CAJNLWNSIOWMER-ZHBILRMLSA-N	1	0	449.938	3.494	50	0		IGAARO
CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)cc1	ZINC000033032765	556713132	/nfs/dbraw/zinc/71/31/32/556713132.db2.gz	ILWXDYURVJZTEJ-UHFFFAOYSA-N	1	0	444.373	3.086	50	0		IGAARO
COc1cc(Cl)cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1OC	ZINC000019227788	556717461	/nfs/dbraw/zinc/71/74/61/556717461.db2.gz	RDGDRBJICPDYPD-NRFANRHFSA-N	1	0	440.028	3.099	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc4nonc4c3)CC2)c(Cl)c1	ZINC000055073703	556733978	/nfs/dbraw/zinc/73/39/78/556733978.db2.gz	UNZACZCZUPZQQE-UHFFFAOYSA-N	1	0	444.919	3.296	50	0		IGAARO
O=C(CSc1nnnn1C1CCCCC1)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000058158591	556763491	/nfs/dbraw/zinc/76/34/91/556763491.db2.gz	ZLOHIGSWLJFVPS-UHFFFAOYSA-N	1	0	432.619	3.458	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)ccc3F)c(=O)c2C1	ZINC000062007149	556765426	/nfs/dbraw/zinc/76/54/26/556765426.db2.gz	HEZUKHKKJBEWTA-UHFFFAOYSA-N	1	0	442.441	3.344	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1	ZINC000062007152	556765445	/nfs/dbraw/zinc/76/54/45/556765445.db2.gz	QRVOUMPLMWBMFY-UHFFFAOYSA-N	1	0	436.487	3.075	50	0		IGAARO
O=C(COc1ccccc1)N1CCC(C(=O)N2CCC(C[NH+]3CCCCC3)CC2)CC1	ZINC000058171634	556768278	/nfs/dbraw/zinc/76/82/78/556768278.db2.gz	MTJPOQQGTNQZAY-UHFFFAOYSA-N	1	0	427.589	3.029	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)CC1	ZINC000033059972	556816413	/nfs/dbraw/zinc/81/64/13/556816413.db2.gz	DGGBCFGRFNHDOK-UHFFFAOYSA-N	1	0	425.602	3.461	50	0		IGAARO
Cc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1N(C)S(C)(=O)=O	ZINC000065363779	556835064	/nfs/dbraw/zinc/83/50/64/556835064.db2.gz	WTBGRJDQWDWUCO-UHFFFAOYSA-N	1	0	431.558	3.116	50	0		IGAARO
C[NH+]1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1	ZINC000067621480	556844821	/nfs/dbraw/zinc/84/48/21/556844821.db2.gz	LXCJOSDLMKOXBO-UHFFFAOYSA-N	1	0	435.977	3.130	50	0		IGAARO
Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000033171844	556882550	/nfs/dbraw/zinc/88/25/50/556882550.db2.gz	UWPJBXLROZAUAB-UHFFFAOYSA-N	1	0	449.580	3.050	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1OC	ZINC000019771089	556913155	/nfs/dbraw/zinc/91/31/55/556913155.db2.gz	HYGUTCLNIUHNEO-OAQYLSRUSA-N	1	0	427.520	3.270	50	0		IGAARO
O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1N1CC[NH2+]CC1)c1ccc(Cl)cc1	ZINC000019811281	556919044	/nfs/dbraw/zinc/91/90/44/556919044.db2.gz	IRCARNCHRGIKND-FGZHOGPDSA-N	1	0	427.957	3.473	50	0		IGAARO
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2	ZINC000019838177	556928719	/nfs/dbraw/zinc/92/87/19/556928719.db2.gz	OFCPAABHZAMDOG-NRFANRHFSA-N	1	0	427.593	3.111	50	0		IGAARO
COc1ccccc1C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC2	ZINC000019838311	556928743	/nfs/dbraw/zinc/92/87/43/556928743.db2.gz	HUWIVHFSGJSCIV-UHFFFAOYSA-N	1	0	449.555	3.062	50	0		IGAARO
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1	ZINC000019890120	556939302	/nfs/dbraw/zinc/93/93/02/556939302.db2.gz	CAKXCLFBJVDYDE-IBGZPJMESA-N	1	0	441.553	3.063	50	0		IGAARO
O[C@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1	ZINC000019938628	556953064	/nfs/dbraw/zinc/95/30/64/556953064.db2.gz	FLEPFOGIDBPCGF-FQEVSTJZSA-N	1	0	435.362	3.028	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c2ccccc12	ZINC000019939610	556953157	/nfs/dbraw/zinc/95/31/57/556953157.db2.gz	OCQNUAFKLCUAHD-UHFFFAOYSA-N	1	0	445.523	3.064	50	0		IGAARO
CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)n1	ZINC000072441397	556973123	/nfs/dbraw/zinc/97/31/23/556973123.db2.gz	KYSHTWYYLKWOPI-UHFFFAOYSA-N	1	0	433.516	3.070	50	0		IGAARO
O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020100497	556979973	/nfs/dbraw/zinc/97/99/73/556979973.db2.gz	RRNSKXLKMPNTBW-UHFFFAOYSA-N	1	0	439.531	3.111	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cc(C(=O)OC)ccn2)CC1	ZINC000097109207	556990075	/nfs/dbraw/zinc/99/00/75/556990075.db2.gz	WAUMOFPRGZNDFV-OAHLLOKOSA-N	1	0	429.496	3.032	50	0		IGAARO
CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCC(=O)c1ccc(OC)cc1	ZINC000020208006	556998242	/nfs/dbraw/zinc/99/82/42/556998242.db2.gz	UYINVMFVPACQCX-UHFFFAOYSA-N	1	0	429.605	3.313	50	0		IGAARO
COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCOC(C)C)C4)c1	ZINC000020271056	557004820	/nfs/dbraw/zinc/00/48/20/557004820.db2.gz	OSBRCJZHSGHIEI-KRWDZBQOSA-N	1	0	427.570	3.387	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000046012329	557018888	/nfs/dbraw/zinc/01/88/88/557018888.db2.gz	UUZIMBFGRQYFGC-QFIPXVFZSA-N	1	0	440.975	3.021	50	0		IGAARO
COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)COc2ccc(OC)cc2)c1	ZINC000033278773	557060810	/nfs/dbraw/zinc/06/08/10/557060810.db2.gz	VCFYWVZOAIHOPJ-UHFFFAOYSA-N	1	0	441.528	3.030	50	0		IGAARO
Cn1c2ccccc2n(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1=O	ZINC000024923416	557179034	/nfs/dbraw/zinc/17/90/34/557179034.db2.gz	AQIPDWHHERZOAP-OAQYLSRUSA-N	1	0	426.948	3.337	50	0		IGAARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000025331274	557204546	/nfs/dbraw/zinc/20/45/46/557204546.db2.gz	QWTVEOGXFMZWFF-HNNXBMFYSA-N	1	0	440.495	3.173	50	0		IGAARO
CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@@H]12	ZINC000097097349	557211808	/nfs/dbraw/zinc/21/18/08/557211808.db2.gz	UMNSVNVVRASHLC-DEOSSOPVSA-N	1	0	432.568	3.483	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2	ZINC000014755621	557228050	/nfs/dbraw/zinc/22/80/50/557228050.db2.gz	BUJWKNJKRIUGCF-UHFFFAOYSA-N	1	0	447.579	3.489	50	0		IGAARO
COc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000027663572	557269685	/nfs/dbraw/zinc/26/96/85/557269685.db2.gz	AXEQXYJMSXGFCX-IBGZPJMESA-N	1	0	447.963	3.084	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101344473	557279516	/nfs/dbraw/zinc/27/95/16/557279516.db2.gz	WPXPQJKMACCQPD-FVJVTNMWSA-N	1	0	435.911	3.388	50	0		IGAARO
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccc(C)o2)C3)cc1	ZINC000014540227	557340569	/nfs/dbraw/zinc/34/05/69/557340569.db2.gz	ZNKQIKUTRCVUDS-UHFFFAOYSA-N	1	0	434.540	3.486	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000033652556	557341631	/nfs/dbraw/zinc/34/16/31/557341631.db2.gz	JIQQEKSTGQDPMV-FLFXDLLNSA-N	1	0	435.911	3.388	50	0		IGAARO
Cc1cc(C)c(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)c(C)c1	ZINC000004851841	557396994	/nfs/dbraw/zinc/39/69/94/557396994.db2.gz	NJZGWFFPMHYMOZ-UHFFFAOYSA-N	1	0	428.602	3.340	50	0		IGAARO
Cc1nc(-c2cccnc2N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)no1	ZINC000065227593	557442145	/nfs/dbraw/zinc/44/21/45/557442145.db2.gz	WNGPSGVYBYRBNX-UHFFFAOYSA-N	1	0	438.576	3.133	50	0		IGAARO
O=C(c1ccsc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000575560363	557463026	/nfs/dbraw/zinc/46/30/26/557463026.db2.gz	YKKWYMJVFXAHJC-HXUWFJFHSA-N	1	0	426.586	3.119	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000105018740	557473114	/nfs/dbraw/zinc/47/31/14/557473114.db2.gz	GPHXXHAXWKQFBV-ISKFKSNPSA-N	1	0	428.548	3.471	50	0		IGAARO
COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000108974345	557545095	/nfs/dbraw/zinc/54/50/95/557545095.db2.gz	FGPXEMZBEUJCCM-VGSWGCGISA-N	1	0	445.585	3.137	50	0		IGAARO
CSc1nc2nc(C)c(CC(=O)NCC[NH+]3CCC4(CCCCC4)CC3)c(C)n2n1	ZINC000225686528	557763492	/nfs/dbraw/zinc/76/34/92/557763492.db2.gz	ONQMRWURKGEPMT-UHFFFAOYSA-N	1	0	430.622	3.168	50	0		IGAARO
COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)CC3)n2)cc1	ZINC000009405540	562970055	/nfs/dbraw/zinc/97/00/55/562970055.db2.gz	BLMNMQGCYQKRMZ-GOSISDBHSA-N	1	0	441.576	3.200	50	0		IGAARO
Cc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1Cl	ZINC000009747231	562976604	/nfs/dbraw/zinc/97/66/04/562976604.db2.gz	VBDNKNCFPMHEEX-UHFFFAOYSA-N	1	0	434.993	3.376	50	0		IGAARO
Cc1nn(C)cc1CN(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000011938261	562979996	/nfs/dbraw/zinc/97/99/96/562979996.db2.gz	ZYGYZECAXVBKHU-UHFFFAOYSA-N	1	0	433.556	3.439	50	0		IGAARO
CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1	ZINC000055054779	563142306	/nfs/dbraw/zinc/14/23/06/563142306.db2.gz	HKFWXPQRGWWMDD-HXUWFJFHSA-N	1	0	435.494	3.349	50	0		IGAARO
C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)cc2F)C[C@@H](C)O1	ZINC000106103065	568624819	/nfs/dbraw/zinc/62/48/19/568624819.db2.gz	JLEGKQUOEOXTNB-QSNWEANLSA-N	1	0	434.556	3.062	50	0		IGAARO
COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000015065533	568635102	/nfs/dbraw/zinc/63/51/02/568635102.db2.gz	VGFFYYQKWWLJAM-QFIPXVFZSA-N	1	0	438.572	3.230	50	0		IGAARO
COc1cccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1	ZINC000299766532	568756424	/nfs/dbraw/zinc/75/64/24/568756424.db2.gz	DYJNBJAJQMWCEX-HSZRJFAPSA-N	1	0	439.600	3.414	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn3c(C)csc3n2)cc1	ZINC000299766524	568756477	/nfs/dbraw/zinc/75/64/77/568756477.db2.gz	DSJJIZMQSSGMED-LJQANCHMSA-N	1	0	426.542	3.162	50	0		IGAARO
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](CC=C(C)C)CC3)o1	ZINC000299779569	568756980	/nfs/dbraw/zinc/75/69/80/568756980.db2.gz	GEYJACLWPSSEMC-LJQANCHMSA-N	1	0	429.565	3.359	50	0		IGAARO
CC(C)C(=O)Nc1ccc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1	ZINC000084370628	568797491	/nfs/dbraw/zinc/79/74/91/568797491.db2.gz	OCKBJQIQOPVMAL-UHFFFAOYSA-N	1	0	445.608	3.229	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1	ZINC000015679035	568805312	/nfs/dbraw/zinc/80/53/12/568805312.db2.gz	DSEXBPYKELHYPK-AZUAARDMSA-N	1	0	441.576	3.342	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)C3)n2)cc1	ZINC000015679036	568805317	/nfs/dbraw/zinc/80/53/17/568805317.db2.gz	DSEXBPYKELHYPK-ICSRJNTNSA-N	1	0	441.576	3.342	50	0		IGAARO
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn4c3ncc3c4CCCC3)CC2)c1	ZINC000015723023	568812093	/nfs/dbraw/zinc/81/20/93/568812093.db2.gz	IIAGKFNDRMNLOP-UHFFFAOYSA-N	1	0	446.599	3.167	50	0		IGAARO
Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)n1	ZINC000015729679	568813631	/nfs/dbraw/zinc/81/36/31/568813631.db2.gz	LOWSEMRZRMIFEN-UHFFFAOYSA-N	1	0	442.523	3.409	50	0		IGAARO
C[C@H]1CSc2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2NC1=O	ZINC000015731167	568814682	/nfs/dbraw/zinc/81/46/82/568814682.db2.gz	DBHGGZGGLREJJK-INIZCTEOSA-N	1	0	445.610	3.094	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)CC1	ZINC000085649808	568831292	/nfs/dbraw/zinc/83/12/92/568831292.db2.gz	PWAZTOPXKPTYIN-UHFFFAOYSA-N	1	0	448.546	3.394	50	0		IGAARO
COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCN1Cc2ccccc2C1=O	ZINC000583652897	568837784	/nfs/dbraw/zinc/83/77/84/568837784.db2.gz	OVAMSDUZARZICI-GGAORHGYSA-N	1	0	427.589	3.162	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2C)CC1	ZINC000016299683	568876260	/nfs/dbraw/zinc/87/62/60/568876260.db2.gz	YVTFAKZBDYJEHF-UHFFFAOYSA-N	1	0	427.545	3.344	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000226932207	568885464	/nfs/dbraw/zinc/88/54/64/568885464.db2.gz	XNQZASOJZYJLNJ-FBAVSBLXSA-N	1	0	441.409	3.137	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000227303048	568885777	/nfs/dbraw/zinc/88/57/77/568885777.db2.gz	OMYCOSYSHAPXGK-KCXPTXFHSA-N	1	0	442.302	3.425	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1	ZINC000036385752	568905696	/nfs/dbraw/zinc/90/56/96/568905696.db2.gz	VEKIIDFLXAIXRA-HSZRJFAPSA-N	1	0	439.604	3.010	50	0		IGAARO
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](C(N)=O)C5)C4=O)cc3)sc2c1	ZINC000136467628	568908959	/nfs/dbraw/zinc/90/89/59/568908959.db2.gz	KULZVIFUOPBMBG-VQIMIIECSA-N	1	0	448.548	3.101	50	0		IGAARO
CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)cc1	ZINC000089368822	568921376	/nfs/dbraw/zinc/92/13/76/568921376.db2.gz	YYRQHXPDGQQXED-GHTZIAJQSA-N	1	0	428.598	3.096	50	0		IGAARO
COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)cc1OC	ZINC000036095878	568951573	/nfs/dbraw/zinc/95/15/73/568951573.db2.gz	GLHUXRIDXQZGTB-HXUWFJFHSA-N	1	0	431.529	3.468	50	0		IGAARO
Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)c1	ZINC000064814559	568963985	/nfs/dbraw/zinc/96/39/85/568963985.db2.gz	XCAGOKFPNQGWTR-UHFFFAOYSA-N	1	0	429.590	3.349	50	0		IGAARO
CCn1c2c(C(=O)Nc3ccccc3F)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835915	568969104	/nfs/dbraw/zinc/96/91/04/568969104.db2.gz	RXHITPKBLIATRD-UHFFFAOYSA-N	1	0	445.498	3.466	50	0		IGAARO
Cc1cc(F)ccc1NC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1	ZINC000064836141	568969194	/nfs/dbraw/zinc/96/91/94/568969194.db2.gz	XPJGNCJTZVMMPN-UHFFFAOYSA-N	1	0	445.498	3.291	50	0		IGAARO
C[NH+](C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)C1CCCC1	ZINC000036249270	568983184	/nfs/dbraw/zinc/98/31/84/568983184.db2.gz	UOKYIWLKQNZHLT-UHFFFAOYSA-N	1	0	444.551	3.398	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12	ZINC000169681159	568991650	/nfs/dbraw/zinc/99/16/50/568991650.db2.gz	SJPUXEYOQRXJLT-UHFFFAOYSA-N	1	0	447.514	3.052	50	0		IGAARO
C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1	ZINC000006806060	568996296	/nfs/dbraw/zinc/99/62/96/568996296.db2.gz	QQRAPILVPZAQCR-CEXWTWQISA-N	1	0	430.622	3.314	50	0		IGAARO
CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153613	569112036	/nfs/dbraw/zinc/11/20/36/569112036.db2.gz	RPALVQCECYWIIQ-UHFFFAOYSA-N	1	0	448.542	3.381	50	0		IGAARO
C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1	ZINC000065272104	569129010	/nfs/dbraw/zinc/12/90/10/569129010.db2.gz	ZETSQTWIKNIPGD-UHFFFAOYSA-N	1	0	427.549	3.392	50	0		IGAARO
COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1	ZINC000065322565	569136829	/nfs/dbraw/zinc/13/68/29/569136829.db2.gz	LUAIQGYVPVQLSJ-UHFFFAOYSA-N	1	0	430.512	3.440	50	0		IGAARO
CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(Br)c3)CC2)ccc1O	ZINC000170605917	569143917	/nfs/dbraw/zinc/14/39/17/569143917.db2.gz	AZCWJQPMXYBKCG-UHFFFAOYSA-N	1	0	434.334	3.343	50	0		IGAARO
Cc1nn(CC(=O)OCCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(C)c1Cl	ZINC000170609403	569144705	/nfs/dbraw/zinc/14/47/05/569144705.db2.gz	UXPIEFPJSYLRKH-UHFFFAOYSA-N	1	0	428.961	3.029	50	0		IGAARO
CCSCC[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	ZINC000170621907	569147753	/nfs/dbraw/zinc/14/77/53/569147753.db2.gz	FCRPAYVNXXXNRJ-CMCWBKRRSA-N	1	0	435.549	3.063	50	0		IGAARO
COc1ccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4cccc(Cl)c4)c3c2N)cc1	ZINC000037358435	569176128	/nfs/dbraw/zinc/17/61/28/569176128.db2.gz	PAVUYYGUUGNRJU-UHFFFAOYSA-N	1	0	449.946	3.479	50	0		IGAARO
Cn1nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(-c3ccc(F)cc3F)c2c1N	ZINC000037360991	569181547	/nfs/dbraw/zinc/18/15/47/569181547.db2.gz	ROJZTAPPPQFORO-UHFFFAOYSA-N	1	0	435.482	3.213	50	0		IGAARO
C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012993066	569306089	/nfs/dbraw/zinc/30/60/89/569306089.db2.gz	PKVOEEXKIPGPGV-QGZVFWFLSA-N	1	0	435.524	3.039	50	0		IGAARO
C[N@H+](CCN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1)Cc1ccccc1	ZINC000079019934	569322371	/nfs/dbraw/zinc/32/23/71/569322371.db2.gz	YVYSXCJTLXZJFU-UHFFFAOYSA-N	1	0	430.552	3.358	50	0		IGAARO
O[C@@H](C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1)[C@@H]1CCCO1	ZINC000079076704	569324701	/nfs/dbraw/zinc/32/47/01/569324701.db2.gz	GLLOHZQSJYBFEF-OALUTQOASA-N	1	0	428.533	3.159	50	0		IGAARO
O[C@H](C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1)[C@H]1CCCO1	ZINC000079076716	569324746	/nfs/dbraw/zinc/32/47/46/569324746.db2.gz	GLLOHZQSJYBFEF-RTBURBONSA-N	1	0	428.533	3.159	50	0		IGAARO
O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	ZINC000095467338	569371050	/nfs/dbraw/zinc/37/10/50/569371050.db2.gz	MLNDHXFXGUKXQB-SFHVURJKSA-N	1	0	431.492	3.192	50	0		IGAARO
COc1ccc([C@H](C[NH+]2CCCC2)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1	ZINC000095468713	569371414	/nfs/dbraw/zinc/37/14/14/569371414.db2.gz	UKWLCIQPZQDYMC-QFIPXVFZSA-N	1	0	429.586	3.193	50	0		IGAARO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@@]1(C)CCCc2ccccc21	ZINC000095953328	569376673	/nfs/dbraw/zinc/37/66/73/569376673.db2.gz	QFMVJCXGUHIPFT-QHCPKHFHSA-N	1	0	443.569	3.373	50	0		IGAARO
NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)cc2)CC1	ZINC000057265341	569430306	/nfs/dbraw/zinc/43/03/06/569430306.db2.gz	LYNCGFBLEKSKPG-UHFFFAOYSA-N	1	0	439.943	3.494	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NS(=O)(=O)c2cccc(C(C)=O)c2)CC1	ZINC000058136134	569448413	/nfs/dbraw/zinc/44/84/13/569448413.db2.gz	DQPBIWPDRMXKSF-INIZCTEOSA-N	1	0	433.549	3.210	50	0		IGAARO
CC[NH+]1CCN(c2ccccc2NC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1	ZINC000030999100	569452313	/nfs/dbraw/zinc/45/23/13/569452313.db2.gz	ZOQWSCPPQRFVHT-UHFFFAOYSA-N	1	0	439.541	3.312	50	0		IGAARO
CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1	ZINC000032080025	569459430	/nfs/dbraw/zinc/45/94/30/569459430.db2.gz	VOCLZTCXCITAMC-KRWDZBQOSA-N	1	0	426.948	3.474	50	0		IGAARO
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21	ZINC000008231947	569462497	/nfs/dbraw/zinc/46/24/97/569462497.db2.gz	HVBKDJWRIFZQMT-UHFFFAOYSA-N	1	0	427.570	3.060	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)[NH+]2CCCC2)cc1	ZINC000008313976	569462593	/nfs/dbraw/zinc/46/25/93/569462593.db2.gz	CGVKYHIQYLCILQ-TZIWHRDSSA-N	1	0	425.554	3.451	50	0		IGAARO
CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c(=O)c2C1	ZINC000067291776	569467723	/nfs/dbraw/zinc/46/77/23/569467723.db2.gz	KJQVZVFUCNVOSJ-UHFFFAOYSA-N	1	0	437.363	3.444	50	0		IGAARO
CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(C)c1C	ZINC000008705860	569470408	/nfs/dbraw/zinc/47/04/08/569470408.db2.gz	NILDUGXCNVCQNB-UHFFFAOYSA-N	1	0	429.586	3.127	50	0		IGAARO
NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1	ZINC000039992533	569482380	/nfs/dbraw/zinc/48/23/80/569482380.db2.gz	DLHNMZJEYWDMIC-FQEVSTJZSA-N	1	0	447.607	3.433	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cccc(F)c1	ZINC000040068091	569485061	/nfs/dbraw/zinc/48/50/61/569485061.db2.gz	APSKSUJKUFPLIT-NRFANRHFSA-N	1	0	433.549	3.079	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C1CCCCC1	ZINC000069653024	569511528	/nfs/dbraw/zinc/51/15/28/569511528.db2.gz	RORZEEXYXKYXAP-ZJSXRUAMSA-N	1	0	444.620	3.310	50	0		IGAARO
Cc1cccc(C[NH+]2CCC(CNC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)CC2)c1	ZINC000009211331	569511770	/nfs/dbraw/zinc/51/17/70/569511770.db2.gz	KIXQPAIATYSTSY-UHFFFAOYSA-N	1	0	443.551	3.215	50	0		IGAARO
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C	ZINC000009336976	569523491	/nfs/dbraw/zinc/52/34/91/569523491.db2.gz	RYKPIWWNADOQPI-OAQYLSRUSA-N	1	0	437.537	3.010	50	0		IGAARO
CN1C(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C(=O)C12CCCCC2	ZINC000009515523	569543305	/nfs/dbraw/zinc/54/33/05/569543305.db2.gz	KHTDCRDRPNOFDK-IBGZPJMESA-N	1	0	446.979	3.190	50	0		IGAARO
CN1C(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C(=O)C12CCCCC2	ZINC000009515525	569543324	/nfs/dbraw/zinc/54/33/24/569543324.db2.gz	KHTDCRDRPNOFDK-LJQANCHMSA-N	1	0	446.979	3.190	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)[NH+]2CCCCC2)cc1	ZINC000009586124	569549642	/nfs/dbraw/zinc/54/96/42/569549642.db2.gz	IVBGZNRBORHGSN-JOCHJYFZSA-N	1	0	449.555	3.300	50	0		IGAARO
O=C(CSc1nnnn1Cc1cccs1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000009647555	569556448	/nfs/dbraw/zinc/55/64/48/569556448.db2.gz	XYHCYJCNPZUMCA-UHFFFAOYSA-N	1	0	434.635	3.180	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2)c2c1CCCC2	ZINC000009747026	569565794	/nfs/dbraw/zinc/56/57/94/569565794.db2.gz	BNXVWIKKOBXMMD-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
CC[NH+](CC)CCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1	ZINC000009840965	569570843	/nfs/dbraw/zinc/57/08/43/569570843.db2.gz	HITVSGIRXHVLBQ-UHFFFAOYSA-N	1	0	440.617	3.190	50	0		IGAARO
CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1C	ZINC000010456771	569582403	/nfs/dbraw/zinc/58/24/03/569582403.db2.gz	RLWYDPCTEXSMLU-UHFFFAOYSA-N	1	0	429.586	3.127	50	0		IGAARO
Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(S(=O)(=O)N(C)C)c1C	ZINC000010456774	569582417	/nfs/dbraw/zinc/58/24/17/569582417.db2.gz	LFLGJBPYOKUZGL-UHFFFAOYSA-N	1	0	443.613	3.470	50	0		IGAARO
COc1ccc(O[C@@H](C)C(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1	ZINC000077100905	569585481	/nfs/dbraw/zinc/58/54/81/569585481.db2.gz	DFKWXRABOUPEIL-IBGZPJMESA-N	1	0	447.539	3.213	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1	ZINC000037524236	569588047	/nfs/dbraw/zinc/58/80/47/569588047.db2.gz	OWTKXDRJQDLWLY-UHFFFAOYSA-N	1	0	428.964	3.030	50	0		IGAARO
CC[C@@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O	ZINC000008812244	132294717	/nfs/dbraw/zinc/29/47/17/132294717.db2.gz	HFTPAHCHGKSJQI-QHCPKHFHSA-N	1	0	435.568	3.262	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21	ZINC000009114879	132303448	/nfs/dbraw/zinc/30/34/48/132303448.db2.gz	QQFZVKLOOLULLM-NZQKXSOJSA-N	1	0	436.556	3.319	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009153022	132306991	/nfs/dbraw/zinc/30/69/91/132306991.db2.gz	NDJDXIHWNPOWSM-IBGZPJMESA-N	1	0	441.624	3.007	50	0		IGAARO
CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1	ZINC000012198616	519436079	/nfs/dbraw/zinc/43/60/79/519436079.db2.gz	XXLCOVPJLQOUIV-QHCPKHFHSA-N	1	0	428.621	3.359	50	0		IGAARO
CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3c[nH]nc3-c3cccc(F)c3)CC2)CC1	ZINC000012306464	519701223	/nfs/dbraw/zinc/70/12/23/519701223.db2.gz	IBPCQMYYBYKCQF-UHFFFAOYSA-N	1	0	427.568	3.417	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1	ZINC000020933785	519858137	/nfs/dbraw/zinc/85/81/37/519858137.db2.gz	QNDYPKNXFMSWFP-UHFFFAOYSA-N	1	0	448.615	3.427	50	0		IGAARO
CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(OC)c3)s2)CC1	ZINC000021535371	519861218	/nfs/dbraw/zinc/86/12/18/519861218.db2.gz	JKHHYUSMBNBFHW-UHFFFAOYSA-N	1	0	426.546	3.122	50	0		IGAARO
CCCOc1ccc(Br)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000020929315	520324753	/nfs/dbraw/zinc/32/47/53/520324753.db2.gz	OXUQHQWYBVSGEV-UHFFFAOYSA-N	1	0	427.364	3.218	50	0		IGAARO
CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000020530945	520516585	/nfs/dbraw/zinc/51/65/85/520516585.db2.gz	BQXCYBYMAOXPJY-AUSIDOKSSA-N	1	0	435.524	3.356	50	0		IGAARO
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1	ZINC000024189719	520818431	/nfs/dbraw/zinc/81/84/31/520818431.db2.gz	CGLZGUMFEPDQBN-UHFFFAOYSA-N	1	0	429.586	3.243	50	0		IGAARO
CCOc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	ZINC000020782310	520977535	/nfs/dbraw/zinc/97/75/35/520977535.db2.gz	TXTQDVWZYINPET-QFIPXVFZSA-N	1	0	437.544	3.455	50	0		IGAARO
CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)c1	ZINC000022809418	521548336	/nfs/dbraw/zinc/54/83/36/521548336.db2.gz	UVKAVXQXORDLJD-QPPBQGQZSA-N	1	0	442.556	3.038	50	0		IGAARO
CC[NH+]1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)CC1	ZINC000020997450	521687115	/nfs/dbraw/zinc/68/71/15/521687115.db2.gz	GGMZSXFXRHADJF-UHFFFAOYSA-N	1	0	437.975	3.324	50	0		IGAARO
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)C(C)C)c1	ZINC000021200541	522855116	/nfs/dbraw/zinc/85/51/16/522855116.db2.gz	FMWKNCAXMNTVMN-NRFANRHFSA-N	1	0	433.593	3.229	50	0		IGAARO
COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)c(OC)c3)[NH+](C)C)no2)cc1	ZINC000021807525	523099400	/nfs/dbraw/zinc/09/94/00/523099400.db2.gz	BTUZVCCPFOQEJW-LJQANCHMSA-N	1	0	425.485	3.400	50	0		IGAARO
C[N@@H+](Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@@H](O)c1ccccc1	ZINC000020913855	523213494	/nfs/dbraw/zinc/21/34/94/523213494.db2.gz	WFISPVAQLOMMGA-OAQYLSRUSA-N	1	0	425.916	3.124	50	0		IGAARO
CC[C@H]1CN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)Cc2cc(OC)ccc2O1	ZINC000012182172	523271975	/nfs/dbraw/zinc/27/19/75/523271975.db2.gz	DPPZEJOJPGVENC-QHCPKHFHSA-N	1	0	437.584	3.449	50	0		IGAARO
COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](CCO)CC2)cc1	ZINC000020661858	523327033	/nfs/dbraw/zinc/32/70/33/523327033.db2.gz	BUAHNKMYLRTGSL-UHFFFAOYSA-N	1	0	429.524	3.210	50	0		IGAARO
COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1	ZINC000012338177	523898561	/nfs/dbraw/zinc/89/85/61/523898561.db2.gz	PHXAEDIYTZJWBE-SFHVURJKSA-N	1	0	440.540	3.456	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1	ZINC000020773757	523913580	/nfs/dbraw/zinc/91/35/80/523913580.db2.gz	LCLAGFWBAXLRPS-UTKZUKDTSA-N	1	0	437.918	3.114	50	0		IGAARO
COCCOC1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)CC1	ZINC000012437423	523974212	/nfs/dbraw/zinc/97/42/12/523974212.db2.gz	HCYQBDASUMISEJ-UHFFFAOYSA-N	1	0	434.577	3.214	50	0		IGAARO
Cc1ccc(C)c(N2CC[NH+](CCCN3C(=O)CC[C@@]3(C)C(=O)NCCC(C)C)CC2)c1	ZINC000021776545	524125014	/nfs/dbraw/zinc/12/50/14/524125014.db2.gz	KEZMVWBMFHLGMY-SANMLTNESA-N	1	0	442.648	3.359	50	0		IGAARO
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C4CCCC4)CC3)c2C)n1	ZINC000012217911	524275117	/nfs/dbraw/zinc/27/51/17/524275117.db2.gz	JAHRSMUBYZIKFF-UHFFFAOYSA-N	1	0	446.555	3.347	50	0		IGAARO
Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000035422097	524381095	/nfs/dbraw/zinc/38/10/95/524381095.db2.gz	MUVZJAVXKAVWFR-UHFFFAOYSA-N	1	0	433.474	3.478	50	0		IGAARO
Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCNC(=O)c2nonc2N)cc1	ZINC000040744376	524630883	/nfs/dbraw/zinc/63/08/83/524630883.db2.gz	DDAJRZCLFHPESE-UHFFFAOYSA-N	1	0	431.496	3.212	50	0		IGAARO
COc1ccc(OC)c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3c(c2)OCO3)c1	ZINC000022648397	524813534	/nfs/dbraw/zinc/81/35/34/524813534.db2.gz	RBMMSMDURHOAGJ-IHWFROFDSA-N	1	0	438.524	3.287	50	0		IGAARO
C[C@@H]1Cc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2N1S(C)(=O)=O	ZINC000012779687	525519806	/nfs/dbraw/zinc/51/98/06/525519806.db2.gz	BHJQPPOSZNLGRB-DNVCBOLYSA-N	1	0	433.599	3.026	50	0		IGAARO
COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)n2C	ZINC000021529888	525601385	/nfs/dbraw/zinc/60/13/85/525601385.db2.gz	QSOAJNPNJVFRBO-QZTJIDSGSA-N	1	0	440.588	3.412	50	0		IGAARO
COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)n2C	ZINC000021529886	525601470	/nfs/dbraw/zinc/60/14/70/525601470.db2.gz	QSOAJNPNJVFRBO-HDICACEKSA-N	1	0	440.588	3.412	50	0		IGAARO
C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O	ZINC000022619667	525614293	/nfs/dbraw/zinc/61/42/93/525614293.db2.gz	TTXIRJUOUJVWDH-JXFKEZNVSA-N	1	0	427.932	3.407	50	0		IGAARO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CC[NH+](C)CC2)cc1	ZINC000022582931	525759246	/nfs/dbraw/zinc/75/92/46/525759246.db2.gz	QRIJPUPMIZWDOK-OAQYLSRUSA-N	1	0	428.964	3.000	50	0		IGAARO
Cc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)s1	ZINC000012717453	526087878	/nfs/dbraw/zinc/08/78/78/526087878.db2.gz	VBETUWJOWXUHJZ-UHFFFAOYSA-N	1	0	429.586	3.374	50	0		IGAARO
Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)NCC[NH+](C)C)Cc3ccccc3)no2)c1	ZINC000036015462	526255549	/nfs/dbraw/zinc/25/55/49/526255549.db2.gz	QQMMDMGGBJKIRC-UHFFFAOYSA-N	1	0	434.540	3.279	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1	ZINC000033168629	526305792	/nfs/dbraw/zinc/30/57/92/526305792.db2.gz	RIBRKTJFMJBQOS-UHFFFAOYSA-N	1	0	425.602	3.446	50	0		IGAARO
O=C(CN1c2ccccc2OCCC1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000012815093	526828474	/nfs/dbraw/zinc/82/84/74/526828474.db2.gz	BGAWOQSAFZJUDC-UHFFFAOYSA-N	1	0	427.932	3.236	50	0		IGAARO
Cn1c(C[NH2+]C2CCN(c3ccc(CC(=O)N4CCCC4)cc3)CC2)nc2ccccc21	ZINC000012151234	527061349	/nfs/dbraw/zinc/06/13/49/527061349.db2.gz	NZZAMWDLTXGBJY-UHFFFAOYSA-N	1	0	431.584	3.497	50	0		IGAARO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(-n2cnnc2)n1	ZINC000021721088	527227261	/nfs/dbraw/zinc/22/72/61/527227261.db2.gz	VQRPZDWMDQPIJR-UHFFFAOYSA-N	1	0	439.523	3.237	50	0		IGAARO
O=C(NC1CCCCC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020773962	527511978	/nfs/dbraw/zinc/51/19/78/527511978.db2.gz	BUCGNSXNSRBJAO-NRFANRHFSA-N	1	0	428.577	3.040	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1	ZINC000035455175	527665006	/nfs/dbraw/zinc/66/50/06/527665006.db2.gz	XXVVCBDRTLKWOV-FQEVSTJZSA-N	1	0	425.552	3.491	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(OC)ccc2OC)C1=O	ZINC000002356546	535550289	/nfs/dbraw/zinc/55/02/89/535550289.db2.gz	JCJSSIWTDMPAIY-GFXBCDTMSA-N	1	0	435.524	3.306	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1	ZINC000011703861	535598662	/nfs/dbraw/zinc/59/86/62/535598662.db2.gz	WIOCYEONRUITRP-NRFANRHFSA-N	1	0	433.600	3.449	50	0		IGAARO
CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)cc1	ZINC000004749088	536191433	/nfs/dbraw/zinc/19/14/33/536191433.db2.gz	ODHVEWKPYSMQMJ-UHFFFAOYSA-N	1	0	425.529	3.195	50	0		IGAARO
Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)CCC[C@H]2O	ZINC000001481956	555701803	/nfs/dbraw/zinc/70/18/03/555701803.db2.gz	PMXMIIMHBWHSKN-LJQANCHMSA-N	1	0	426.492	3.081	50	0	fda	IGAARO
CC1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1	ZINC000010540972	555702477	/nfs/dbraw/zinc/70/24/77/555702477.db2.gz	ULLVYYXKQNATFE-UHFFFAOYSA-N	1	0	442.025	3.366	50	0		IGAARO
CCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1	ZINC000034912254	555934226	/nfs/dbraw/zinc/93/42/26/555934226.db2.gz	ZKTDUTBSZGIYNU-UHFFFAOYSA-N	1	0	441.616	3.205	50	0		IGAARO
Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000032731729	556305159	/nfs/dbraw/zinc/30/51/59/556305159.db2.gz	BHFCHFSTEJTPHX-KRWDZBQOSA-N	1	0	443.548	3.001	50	0		IGAARO
CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1	ZINC000032773049	556335825	/nfs/dbraw/zinc/33/58/25/556335825.db2.gz	ZOQODUWFLHGFOY-JOCHJYFZSA-N	1	0	425.529	3.139	50	0		IGAARO
CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(CCNC(=O)C4CCCCC4)n3CC1)=CC2	ZINC000011815395	556358313	/nfs/dbraw/zinc/35/83/13/556358313.db2.gz	IGPXOOYXYFAFDN-SFTDATJTSA-N	1	0	425.621	3.368	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H](C)c2nnc(C)[nH]2)c1	ZINC000011817153	556359627	/nfs/dbraw/zinc/35/96/27/556359627.db2.gz	YSLDNOYHYKRLSZ-OAHLLOKOSA-N	1	0	427.549	3.399	50	0		IGAARO
CC(=O)c1ccc(OCc2cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)no2)cc1	ZINC000011842533	556365895	/nfs/dbraw/zinc/36/58/95/556365895.db2.gz	SWCJZZJNAYYFJA-UHFFFAOYSA-N	1	0	429.542	3.110	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC1	ZINC000011874263	556370338	/nfs/dbraw/zinc/37/03/38/556370338.db2.gz	OXRDTWIUUAUESS-GOSISDBHSA-N	1	0	434.577	3.120	50	0		IGAARO
CC(C)c1csc(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)n1	ZINC000012431643	556404461	/nfs/dbraw/zinc/40/44/61/556404461.db2.gz	VFWBKUQQJVFSLH-FQEVSTJZSA-N	1	0	434.650	3.238	50	0		IGAARO
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000014244982	556404736	/nfs/dbraw/zinc/40/47/36/556404736.db2.gz	KMISERPOZOEVGZ-HXUWFJFHSA-N	1	0	437.993	3.021	50	0		IGAARO
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014531263	556420434	/nfs/dbraw/zinc/42/04/34/556420434.db2.gz	KZTNRZVHUFYYOV-JOCHJYFZSA-N	1	0	435.616	3.251	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C1CCCCC1)CC2	ZINC000014534109	556422239	/nfs/dbraw/zinc/42/22/39/556422239.db2.gz	PSTLEDRJLCNEJK-UHFFFAOYSA-N	1	0	429.561	3.273	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](C1CCCC1)CC2	ZINC000014535779	556423513	/nfs/dbraw/zinc/42/35/13/556423513.db2.gz	QYRKWKUXUFYSGW-UHFFFAOYSA-N	1	0	429.561	3.273	50	0		IGAARO
CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2	ZINC000014537826	556423979	/nfs/dbraw/zinc/42/39/79/556423979.db2.gz	CCEPCZDXGJUJHH-UHFFFAOYSA-N	1	0	441.915	3.498	50	0		IGAARO
CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1	ZINC000014742440	556439421	/nfs/dbraw/zinc/43/94/21/556439421.db2.gz	IBNNRQFXTMRVAX-FKBYEOEOSA-N	1	0	439.987	3.438	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2	ZINC000014749780	556443019	/nfs/dbraw/zinc/44/30/19/556443019.db2.gz	URMWERROTVKMNT-UHFFFAOYSA-N	1	0	435.568	3.217	50	0		IGAARO
CC(C)CCOc1ccc(CN(CC(C)(C)[NH+](C)C)S(=O)(=O)c2cnn(C)c2)cc1	ZINC000072272302	556444228	/nfs/dbraw/zinc/44/42/28/556444228.db2.gz	MZQGPBWHYKRQMG-UHFFFAOYSA-N	1	0	436.622	3.376	50	0		IGAARO
CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccn1-c1nccs1)CC2	ZINC000014754719	556444783	/nfs/dbraw/zinc/44/47/83/556444783.db2.gz	XGIZURGJFVJSNZ-UHFFFAOYSA-N	1	0	435.553	3.363	50	0		IGAARO
O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2	ZINC000014883110	556454716	/nfs/dbraw/zinc/45/47/16/556454716.db2.gz	AUBFXJFCFKJKDB-UHFFFAOYSA-N	1	0	425.536	3.349	50	0		IGAARO
O=C(NC[C@@H]1CCC2(CC[NH+](Cc3nc4ccccc4s3)CC2)O1)C1CCOCC1	ZINC000014887135	556455552	/nfs/dbraw/zinc/45/55/52/556455552.db2.gz	MYQNVMAYMYTGNJ-SFHVURJKSA-N	1	0	429.586	3.353	50	0		IGAARO
Cc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C	ZINC000014961384	556463783	/nfs/dbraw/zinc/46/37/83/556463783.db2.gz	JPHWZLRYYMXZOC-UHFFFAOYSA-N	1	0	435.547	3.260	50	0		IGAARO
COCC[NH+]1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@H]2CCCO2)CC1	ZINC000014968833	556466422	/nfs/dbraw/zinc/46/64/22/556466422.db2.gz	IWKQMYDMRFLSHO-QGZVFWFLSA-N	1	0	431.046	3.202	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC	ZINC000015077819	556500009	/nfs/dbraw/zinc/50/00/09/556500009.db2.gz	UNERVTCVAXXSIH-LJQANCHMSA-N	1	0	429.586	3.356	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1	ZINC000032716672	556505694	/nfs/dbraw/zinc/50/56/94/556505694.db2.gz	FJVYOEYBGJAGHJ-INIZCTEOSA-N	1	0	441.644	3.020	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CN2CCC23CCC3)c1	ZINC000072308793	556567428	/nfs/dbraw/zinc/56/74/28/556567428.db2.gz	CYAUPWHJROHJCK-UHFFFAOYSA-N	1	0	448.633	3.274	50	0		IGAARO
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1	ZINC000034894788	556586098	/nfs/dbraw/zinc/58/60/98/556586098.db2.gz	YTOBWGCVBGZXMK-APWZRJJASA-N	1	0	435.615	3.344	50	0		IGAARO
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1	ZINC000016189175	556588512	/nfs/dbraw/zinc/58/85/12/556588512.db2.gz	OXWHQMOKDADCLC-UHFFFAOYSA-N	1	0	446.960	3.005	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000032970914	556588737	/nfs/dbraw/zinc/58/87/37/556588737.db2.gz	KXPFEKWROSAOSX-IBGZPJMESA-N	1	0	435.615	3.264	50	0		IGAARO
Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCN2CC[NH+](C)CC2)cc1	ZINC000032974948	556596839	/nfs/dbraw/zinc/59/68/39/556596839.db2.gz	QXNTYFBWWDBXFM-UHFFFAOYSA-N	1	0	431.584	3.144	50	0		IGAARO
O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1	ZINC000072312058	556597274	/nfs/dbraw/zinc/59/72/74/556597274.db2.gz	XMVCXQDFORKIOO-INIZCTEOSA-N	1	0	441.333	3.276	50	0		IGAARO
Cn1c(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccccc1F	ZINC000032986410	556606037	/nfs/dbraw/zinc/60/60/37/556606037.db2.gz	STDYJTWBBJPSGV-KRWDZBQOSA-N	1	0	425.533	3.104	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1	ZINC000409414608	556640147	/nfs/dbraw/zinc/64/01/47/556640147.db2.gz	NIIYAGOWCIKFTN-NNWRFLSQSA-N	1	0	440.588	3.396	50	0		IGAARO
OCC[NH2+]CCNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl	ZINC000040720401	556645870	/nfs/dbraw/zinc/64/58/70/556645870.db2.gz	DMZFNTBOGJSISO-UHFFFAOYSA-N	1	0	431.733	3.492	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1	ZINC000033025979	556701968	/nfs/dbraw/zinc/70/19/68/556701968.db2.gz	GFCANUOJVZKWSG-NRFANRHFSA-N	1	0	429.948	3.422	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)C1	ZINC000033031781	556711624	/nfs/dbraw/zinc/71/16/24/556711624.db2.gz	MYYKKOSLWVQSHO-SFHVURJKSA-N	1	0	426.536	3.412	50	0		IGAARO
CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1	ZINC000033033980	556715653	/nfs/dbraw/zinc/71/56/53/556715653.db2.gz	KTPIWGDILZDSEM-GOSISDBHSA-N	1	0	444.601	3.042	50	0		IGAARO
O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000055072937	556733399	/nfs/dbraw/zinc/73/33/99/556733399.db2.gz	LDBYCUNBPOOPBX-FQEVSTJZSA-N	1	0	427.932	3.496	50	0		IGAARO
Cc1cc(C)n(CCC(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)n1	ZINC000055166319	556736658	/nfs/dbraw/zinc/73/66/58/556736658.db2.gz	GWRIBCPZZOSIGZ-JOCHJYFZSA-N	1	0	429.996	3.357	50	0		IGAARO
O=C(CCn1cnc2ccccc21)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055414649	556741102	/nfs/dbraw/zinc/74/11/02/556741102.db2.gz	AMUHAFGDWBKPDQ-JOCHJYFZSA-N	1	0	435.547	3.379	50	0		IGAARO
Cc1c(C(=O)NCCCN(C)c2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048324	556744548	/nfs/dbraw/zinc/74/45/48/556744548.db2.gz	BUEQFOCSUKRUCF-UHFFFAOYSA-N	1	0	438.601	3.008	50	0		IGAARO
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(OC)cc4)c(C)c32)CC1	ZINC000033048400	556744697	/nfs/dbraw/zinc/74/46/97/556744697.db2.gz	AETGSQHHYXFESA-UHFFFAOYSA-N	1	0	439.585	3.470	50	0		IGAARO
COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C	ZINC000019371825	556748745	/nfs/dbraw/zinc/74/87/45/556748745.db2.gz	XLKWSSIQDSIUTH-QFIPXVFZSA-N	1	0	437.540	3.075	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N3CCc4ccccc4C3)c(=O)c2C1	ZINC000062007155	556765291	/nfs/dbraw/zinc/76/52/91/556765291.db2.gz	URWHFNXVNBKULP-UHFFFAOYSA-N	1	0	446.526	3.012	50	0		IGAARO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H](C)O1	ZINC000058168919	556767334	/nfs/dbraw/zinc/76/73/34/556767334.db2.gz	GZSWWXAUPPBCSR-PCCBWWKXSA-N	1	0	444.620	3.390	50	0		IGAARO
C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	ZINC000058246855	556775524	/nfs/dbraw/zinc/77/55/24/556775524.db2.gz	HBRYCKKVEGIGHG-DHZHZOJOSA-N	1	0	433.618	3.113	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	ZINC000058950346	556793419	/nfs/dbraw/zinc/79/34/19/556793419.db2.gz	ZZTNGZFMXDSFFW-SFHVURJKSA-N	1	0	441.597	3.432	50	0		IGAARO
CCC(CC)NS(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)nc1	ZINC000059333705	556798209	/nfs/dbraw/zinc/79/82/09/556798209.db2.gz	ZPIORJTYYBVGRJ-UHFFFAOYSA-N	1	0	446.617	3.269	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[N@@H+](C)C3CCCCC3)CC2)cc1	ZINC000033254580	556890790	/nfs/dbraw/zinc/89/07/90/556890790.db2.gz	PRXJWKPTROTYLE-UHFFFAOYSA-N	1	0	435.634	3.167	50	0		IGAARO
COc1cc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CCC(C(N)=O)CC3)c2cc1OC	ZINC000036370361	556902384	/nfs/dbraw/zinc/90/23/84/556902384.db2.gz	JVUDPJZZHYPRBE-UHFFFAOYSA-N	1	0	433.508	3.493	50	0		IGAARO
O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019831966	556927128	/nfs/dbraw/zinc/92/71/28/556927128.db2.gz	VLRISXOPPQTQRW-RUZDIDTESA-N	1	0	430.548	3.475	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1	ZINC000019841842	556929701	/nfs/dbraw/zinc/92/97/01/556929701.db2.gz	UZJBXFNISTUSCH-NRFANRHFSA-N	1	0	425.577	3.228	50	0		IGAARO
C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000022920288	557047246	/nfs/dbraw/zinc/04/72/46/557047246.db2.gz	DSALJWMFYDDKAU-LJQANCHMSA-N	1	0	428.536	3.331	50	0		IGAARO
O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000048309876	557060215	/nfs/dbraw/zinc/06/02/15/557060215.db2.gz	FSAFYHIROXNLRW-UHFFFAOYSA-N	1	0	438.753	3.045	50	0		IGAARO
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1	ZINC000017362922	557074027	/nfs/dbraw/zinc/07/40/27/557074027.db2.gz	KHXHWWKMZVPYFR-QHCPKHFHSA-N	1	0	443.613	3.079	50	0		IGAARO
Cc1ccc(C[N@@H+]2CCc3ncn(CC(=O)NCc4cccc(Cl)c4)c(=O)c3C2)cc1	ZINC000049400923	557096743	/nfs/dbraw/zinc/09/67/43/557096743.db2.gz	ZWLIWDOVXNLWIS-UHFFFAOYSA-N	1	0	436.943	3.080	50	0		IGAARO
COc1ccc(OCC[NH2+]CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1	ZINC000049590298	557116974	/nfs/dbraw/zinc/11/69/74/557116974.db2.gz	GOSQWOKDKPRUEY-NRFANRHFSA-N	1	0	426.513	3.189	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CN2c3ccccc3OCCC2=O)[NH+]2CCCCC2)cc1	ZINC000024762231	557164537	/nfs/dbraw/zinc/16/45/37/557164537.db2.gz	AFLREDCKTMJBEW-QFIPXVFZSA-N	1	0	437.540	3.154	50	0		IGAARO
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000025461716	557211122	/nfs/dbraw/zinc/21/11/22/557211122.db2.gz	CSKIVTYHSLMKQW-XMMPIXPASA-N	1	0	432.568	3.168	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1	ZINC000014237157	557327396	/nfs/dbraw/zinc/32/73/96/557327396.db2.gz	IYIYMPIRCCTWGK-HSZRJFAPSA-N	1	0	443.613	3.287	50	0		IGAARO
Cc1oc2c(c1C(=O)NCC1CC[NH+](CCc3ccc(F)cc3)CC1)C1=NCCN1C=N2	ZINC000102504827	557339669	/nfs/dbraw/zinc/33/96/69/557339669.db2.gz	PIJGESAMBRAZQO-UHFFFAOYSA-N	1	0	437.519	3.147	50	0		IGAARO
Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)NCCSCc2cccs2)cc1	ZINC000023473110	557363526	/nfs/dbraw/zinc/36/35/26/557363526.db2.gz	HDLFFDAQVCBHHI-NRFANRHFSA-N	1	0	433.643	3.069	50	0		IGAARO
O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1cc(Cl)ccc1Cl	ZINC000011697862	557395048	/nfs/dbraw/zinc/39/50/48/557395048.db2.gz	OVVPXRQOEXJNHD-UHFFFAOYSA-N	1	0	439.328	3.312	50	0		IGAARO
O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21	ZINC000257198781	557395374	/nfs/dbraw/zinc/39/53/74/557395374.db2.gz	IBWLJIVHSUCLKY-XOKJFZFGSA-N	1	0	435.568	3.372	50	0		IGAARO
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000104284212	557453836	/nfs/dbraw/zinc/45/38/36/557453836.db2.gz	LRMJWZKLLYOWBP-HLIPFELVSA-N	1	0	431.964	3.158	50	0		IGAARO
Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccn4)CC2)CCO3)c1	ZINC000575317399	557463078	/nfs/dbraw/zinc/46/30/78/557463078.db2.gz	OAMIHEFYBHAYEB-QHCPKHFHSA-N	1	0	434.584	3.366	50	0		IGAARO
COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1	ZINC000105002830	557470215	/nfs/dbraw/zinc/47/02/15/557470215.db2.gz	BWMNXSVSOOBQRK-KNQAVFIVSA-N	1	0	444.597	3.033	50	0		IGAARO
COc1ccc(COCCCC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1	ZINC000107541534	557536043	/nfs/dbraw/zinc/53/60/43/557536043.db2.gz	DIXIWZZCTZXQBY-RUZDIDTESA-N	1	0	439.600	3.487	50	0		IGAARO
CN(CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)c1nc2ccccc2s1	ZINC000040150393	557703746	/nfs/dbraw/zinc/70/37/46/557703746.db2.gz	LLTISNNEMGTRMX-UHFFFAOYSA-N	1	0	437.613	3.057	50	0		IGAARO
O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F	ZINC000225407392	557719190	/nfs/dbraw/zinc/71/91/90/557719190.db2.gz	ALZOIYVVWPBNLY-PMACEKPBSA-N	1	0	429.446	3.194	50	0		IGAARO
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1	ZINC000225413702	557720030	/nfs/dbraw/zinc/72/00/30/557720030.db2.gz	OPKMJZVMMJJLOR-LPHOPBHVSA-N	1	0	443.585	3.071	50	0		IGAARO
O=C(CC(F)(F)F)N1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC1	ZINC000225626527	557753950	/nfs/dbraw/zinc/75/39/50/557753950.db2.gz	BNAUNSQZRZXRJP-UHFFFAOYSA-N	1	0	427.467	3.132	50	0		IGAARO
COc1ccc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1OC	ZINC000229703315	557832982	/nfs/dbraw/zinc/83/29/82/557832982.db2.gz	BVARYDKLWCRADI-APWZRJJASA-N	1	0	428.529	3.042	50	0		IGAARO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000229940455	557834212	/nfs/dbraw/zinc/83/42/12/557834212.db2.gz	NYZMSUPACKYIHW-TZIWHRDSSA-N	1	0	444.626	3.250	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1)c1ccco1	ZINC000009462569	562971461	/nfs/dbraw/zinc/97/14/61/562971461.db2.gz	WBACEDIGGIVOOS-GOSISDBHSA-N	1	0	428.562	3.164	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2	ZINC000009745674	562976520	/nfs/dbraw/zinc/97/65/20/562976520.db2.gz	PKMKPXKFPLRNDR-UHFFFAOYSA-N	1	0	434.993	3.458	50	0		IGAARO
CCOc1ccc(C[N@@H+]2CCN(CC3=Cc4cccc(OC)c4OC3)C[C@H]2CCO)cc1	ZINC000036385722	563094447	/nfs/dbraw/zinc/09/44/47/563094447.db2.gz	OBZIOJVEIQNUJV-HSZRJFAPSA-N	1	0	438.568	3.439	50	0		IGAARO
CCOc1ccccc1CN1CC[N@@H+](C2CCN(Cc3ccccn3)CC2)C[C@@H]1CCO	ZINC000023373496	568613783	/nfs/dbraw/zinc/61/37/83/568613783.db2.gz	IJJSEWAUGKHGEX-VWLOTQADSA-N	1	0	438.616	3.014	50	0		IGAARO
C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)cc2F)C[C@H](C)O1	ZINC000106103067	568624793	/nfs/dbraw/zinc/62/47/93/568624793.db2.gz	JLEGKQUOEOXTNB-RQXXJAGISA-N	1	0	434.556	3.062	50	0		IGAARO
COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000015066180	568635152	/nfs/dbraw/zinc/63/51/52/568635152.db2.gz	ZCKPIYGIYKCAQX-HSZRJFAPSA-N	1	0	444.620	3.375	50	0		IGAARO
Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1	ZINC000253612878	568644059	/nfs/dbraw/zinc/64/40/59/568644059.db2.gz	CNBJXBRCFXTFFD-NRFANRHFSA-N	1	0	431.584	3.443	50	0		IGAARO
CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000043942564	568743676	/nfs/dbraw/zinc/74/36/76/568743676.db2.gz	FOUKDDTXLJNXRJ-UHFFFAOYSA-N	1	0	441.553	3.104	50	0		IGAARO
CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3nnc(-c4ccccc4)o3)CC2)c1	ZINC000299772234	568756739	/nfs/dbraw/zinc/75/67/39/568756739.db2.gz	STVUHDXBTDSASN-UHFFFAOYSA-N	1	0	441.557	3.257	50	0		IGAARO
CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)c1	ZINC000299773886	568756830	/nfs/dbraw/zinc/75/68/30/568756830.db2.gz	GHZJUVWPHIFYLD-QHCPKHFHSA-N	1	0	429.586	3.321	50	0		IGAARO
Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1	ZINC000015671254	568802356	/nfs/dbraw/zinc/80/23/56/568802356.db2.gz	RSEZZJVEDKQWHQ-UHFFFAOYSA-N	1	0	443.617	3.328	50	0		IGAARO
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCCC[N@H+](C)Cc3ccccc3)ccc2S1	ZINC000015730567	568814196	/nfs/dbraw/zinc/81/41/96/568814196.db2.gz	IJVYGEYRSXDPFV-MRXNPFEDSA-N	1	0	433.599	3.310	50	0		IGAARO
Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)N[C@@H]2COc3ccccc3C2)CC1	ZINC000015787322	568836791	/nfs/dbraw/zinc/83/67/91/568836791.db2.gz	XWDDVDVNSLGHRK-NRFANRHFSA-N	1	0	442.991	3.463	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[NH+]4CCCC4)CC3)[nH]c2c1	ZINC000015868677	568852268	/nfs/dbraw/zinc/85/22/68/568852268.db2.gz	SWDGCZYBAKOCCI-SFHVURJKSA-N	1	0	440.588	3.267	50	0		IGAARO
CCCCOCCC[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000015979887	568861850	/nfs/dbraw/zinc/86/18/50/568861850.db2.gz	YSZXNZJQJYLFSR-UHFFFAOYSA-N	1	0	439.622	3.295	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009936	568862633	/nfs/dbraw/zinc/86/26/33/568862633.db2.gz	UFUMDZQDAJGBOA-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1-c1ccc(N2CCOCC2)cc1	ZINC000575443932	568869698	/nfs/dbraw/zinc/86/96/98/568869698.db2.gz	YFQYEGGXCLEIKX-JOCHJYFZSA-N	1	0	431.544	3.264	50	0		IGAARO
NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000242305010	568912759	/nfs/dbraw/zinc/91/27/59/568912759.db2.gz	YUAAPMQCVYTONT-RANZSIQMSA-N	1	0	426.542	3.137	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245242241	568913201	/nfs/dbraw/zinc/91/32/01/568913201.db2.gz	PGRHCBYLMMDTGD-OYSWMMLKSA-N	1	0	429.520	3.297	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c1	ZINC000006561697	568931479	/nfs/dbraw/zinc/93/14/79/568931479.db2.gz	KRTWQGKOABBBLA-UHFFFAOYSA-N	1	0	425.982	3.087	50	0		IGAARO
CCNc1nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(C)[nH+]1	ZINC000064800485	568961200	/nfs/dbraw/zinc/96/12/00/568961200.db2.gz	RBSGKADUADIQDG-UHFFFAOYSA-N	1	0	437.569	3.395	50	0		IGAARO
COc1cc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@@H](C)O)n2)cc(OC)c1OC	ZINC000036155305	568964634	/nfs/dbraw/zinc/96/46/34/568964634.db2.gz	HXCGWQOFWUVYBI-MRXNPFEDSA-N	1	0	427.501	3.188	50	0		IGAARO
COc1cc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@H](C)O)n2)cc(OC)c1OC	ZINC000036155302	568964713	/nfs/dbraw/zinc/96/47/13/568964713.db2.gz	HXCGWQOFWUVYBI-INIZCTEOSA-N	1	0	427.501	3.188	50	0		IGAARO
CCn1c2c(C(=O)NCc3ccccc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835970	568969086	/nfs/dbraw/zinc/96/90/86/568969086.db2.gz	FXVILTDHTPUTET-UHFFFAOYSA-N	1	0	441.535	3.004	50	0		IGAARO
CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1	ZINC000036313381	568998521	/nfs/dbraw/zinc/99/85/21/568998521.db2.gz	XAHATCWPWFVLET-IBGZPJMESA-N	1	0	447.551	3.315	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2cc(OC)ccc2OC)CC1	ZINC000036344328	569080064	/nfs/dbraw/zinc/08/00/64/569080064.db2.gz	YBPKGKBVGWPEEV-HSZRJFAPSA-N	1	0	436.556	3.019	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1	ZINC000064999518	569086152	/nfs/dbraw/zinc/08/61/52/569086152.db2.gz	OPYXMUVVBDACKW-UHFFFAOYSA-N	1	0	447.626	3.415	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1	ZINC000006875636	569095272	/nfs/dbraw/zinc/09/52/72/569095272.db2.gz	HHBVCLWENYPSNR-SFTDATJTSA-N	1	0	429.586	3.133	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1OC)C[N@H+](Cc1ccccc1)CC2	ZINC000065153579	569112096	/nfs/dbraw/zinc/11/20/96/569112096.db2.gz	BIJMATYSFDDKMD-UHFFFAOYSA-N	1	0	446.551	3.320	50	0		IGAARO
CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccs1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153615	569112104	/nfs/dbraw/zinc/11/21/04/569112104.db2.gz	URJUCPRZCUOGNA-UHFFFAOYSA-N	1	0	436.581	3.303	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2cccc(-c3ccc(N4CCCCCC4)nc3)c2)CC1	ZINC000065178400	569114400	/nfs/dbraw/zinc/11/44/00/569114400.db2.gz	DDCWBUBZDFSOPL-UHFFFAOYSA-N	1	0	435.616	3.496	50	0		IGAARO
COc1ccc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1OC	ZINC000036569498	569118661	/nfs/dbraw/zinc/11/86/61/569118661.db2.gz	BVARYDKLWCRADI-VQIMIIECSA-N	1	0	428.529	3.042	50	0		IGAARO
CCCCN1c2ncccc2O[C@@](C)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000065241997	569121937	/nfs/dbraw/zinc/12/19/37/569121937.db2.gz	NZONRNXEDAFIAO-VWLOTQADSA-N	1	0	436.556	3.147	50	0		IGAARO
COc1ccc(OC)c(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1	ZINC000065255930	569123010	/nfs/dbraw/zinc/12/30/10/569123010.db2.gz	QTAHINISSDTFNR-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
O=C(c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065256320	569123172	/nfs/dbraw/zinc/12/31/72/569123172.db2.gz	PKIDUNGQQYPZDF-XMMPIXPASA-N	1	0	445.542	3.334	50	0		IGAARO
O=C(c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065256319	569123215	/nfs/dbraw/zinc/12/32/15/569123215.db2.gz	PKIDUNGQQYPZDF-DEOSSOPVSA-N	1	0	445.542	3.334	50	0		IGAARO
COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)cc1OC	ZINC000065256283	569123219	/nfs/dbraw/zinc/12/32/19/569123219.db2.gz	UITVWVISTRIFEP-NRFANRHFSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)c(OC)c1	ZINC000065256261	569123254	/nfs/dbraw/zinc/12/32/54/569123254.db2.gz	CXZHCBCYHGSFKE-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1cccc(-c2ccc3nc(N4CCC(C(=O)NCC[NH+](C)C)CC4)sc3n2)c1	ZINC000065272070	569129000	/nfs/dbraw/zinc/12/90/00/569129000.db2.gz	XXBLYQOZUGPOOK-UHFFFAOYSA-N	1	0	439.585	3.261	50	0		IGAARO
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000037178491	569140577	/nfs/dbraw/zinc/14/05/77/569140577.db2.gz	CRMWMMQWNBTVLD-NQIIRXRSSA-N	1	0	445.585	3.410	50	0		IGAARO
CC(C)(C)OC(=O)NC1CC[NH+](CCCC(=O)N2CC[C@H](Nc3ccccc3)C2)CC1	ZINC000170595795	569141730	/nfs/dbraw/zinc/14/17/30/569141730.db2.gz	YQHLLWFXHQLQPF-NRFANRHFSA-N	1	0	430.593	3.469	50	0		IGAARO
C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170621514	569147626	/nfs/dbraw/zinc/14/76/26/569147626.db2.gz	QBUHMEOSCJEHJZ-RBUKOAKNSA-N	1	0	448.583	3.417	50	0		IGAARO
COc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1Cl	ZINC000013579121	569156124	/nfs/dbraw/zinc/15/61/24/569156124.db2.gz	VHFQMVAATJNDIR-GOSISDBHSA-N	1	0	442.932	3.474	50	0		IGAARO
COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c1=O	ZINC000016993333	569169887	/nfs/dbraw/zinc/16/98/87/569169887.db2.gz	ABFKQKUHRNHQQX-HSZRJFAPSA-N	1	0	430.545	3.347	50	0		IGAARO
O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000252443946	569183803	/nfs/dbraw/zinc/18/38/03/569183803.db2.gz	AOVXLKFCLQDBIE-UXHICEINSA-N	1	0	446.551	3.025	50	0		IGAARO
C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cc(F)ccc3F)n2)CC1	ZINC000037377514	569185646	/nfs/dbraw/zinc/18/56/46/569185646.db2.gz	SQWUOCINJXMFMF-UHFFFAOYSA-N	1	0	435.482	3.154	50	0		IGAARO
Brc1ccc([C@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1	ZINC000252510625	569188575	/nfs/dbraw/zinc/18/85/75/569188575.db2.gz	AUXAODPUCOYIMH-DSKINZAPSA-N	1	0	435.362	3.458	50	0		IGAARO
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000252511504	569188698	/nfs/dbraw/zinc/18/86/98/569188698.db2.gz	HJXNYLHTTCDXPX-YSIASYRMSA-N	1	0	433.549	3.012	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000002203081	569192736	/nfs/dbraw/zinc/19/27/36/569192736.db2.gz	UFUMDZQDAJGBOA-YDLHNXBPSA-N	1	0	435.911	3.388	50	0		IGAARO
C[NH+](C)CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1	ZINC000037524212	569198526	/nfs/dbraw/zinc/19/85/26/569198526.db2.gz	UCTJHFWVWNSAMY-UHFFFAOYSA-N	1	0	442.991	3.420	50	0		IGAARO
CC(C)(C)OC(=O)N1CCN(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1	ZINC000253415571	569266291	/nfs/dbraw/zinc/26/62/91/569266291.db2.gz	KNGODEUKZNBIGN-UHFFFAOYSA-N	1	0	437.028	3.447	50	0		IGAARO
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCSCC1	ZINC000002337028	569274893	/nfs/dbraw/zinc/27/48/93/569274893.db2.gz	AWXHYCVGUCJJAK-UHFFFAOYSA-N	1	0	440.363	3.485	50	0		IGAARO
COc1ccc([C@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)N2CCOCC2)cc1	ZINC000079073485	569324591	/nfs/dbraw/zinc/32/45/91/569324591.db2.gz	DSCKTRDTRTUPLL-DEOSSOPVSA-N	1	0	445.991	3.348	50	0		IGAARO
CCSc1ccccc1N1CC[NH+](CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000096027677	569380727	/nfs/dbraw/zinc/38/07/27/569380727.db2.gz	HNLHCQXSJOKROF-UHFFFAOYSA-N	1	0	438.597	3.404	50	0		IGAARO
O=C(CNC(=O)c1cccs1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000057270872	569430248	/nfs/dbraw/zinc/43/02/48/569430248.db2.gz	RCKIVAAROHLCKK-UHFFFAOYSA-N	1	0	434.565	3.439	50	0		IGAARO
CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000004122562	569460026	/nfs/dbraw/zinc/46/00/26/569460026.db2.gz	YPTKXCUHJILZRZ-UHFFFAOYSA-N	1	0	442.585	3.363	50	0		IGAARO
CC(C)CC(=O)Nc1ccc2c(c1)nc(C[N@@H+]1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)n2C	ZINC000032124358	569460454	/nfs/dbraw/zinc/46/04/54/569460454.db2.gz	XTCLAJYYAXZBJU-MSOLQXFVSA-N	1	0	433.556	3.339	50	0		IGAARO
COCCn1c(C)cc(O)c([C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1=O	ZINC000038545846	569463347	/nfs/dbraw/zinc/46/33/47/569463347.db2.gz	JXZOFECKHYXRAW-HSZRJFAPSA-N	1	0	439.581	3.482	50	0		IGAARO
COCCNc1nc2cc(C(=O)N[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2n1C	ZINC000670472875	569470034	/nfs/dbraw/zinc/47/00/34/569470034.db2.gz	SIYVUVDRPRBENH-KRWDZBQOSA-N	1	0	427.574	3.088	50	0		IGAARO
Cc1sc2nc(CS[C@@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)[nH]c(=O)c2c1C	ZINC000040068301	569485109	/nfs/dbraw/zinc/48/51/09/569485109.db2.gz	VKAZJBCMHHMKKM-HNNXBMFYSA-N	1	0	434.631	3.310	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O	ZINC000008933048	569487756	/nfs/dbraw/zinc/48/77/56/569487756.db2.gz	ZBNQMYWVTHTHTM-HXUWFJFHSA-N	1	0	443.551	3.000	50	0		IGAARO
COc1ccc([C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)N2CCOCC2)cc1	ZINC000245284160	569502188	/nfs/dbraw/zinc/50/21/88/569502188.db2.gz	QDHVRJOFGZJHSY-HRNNMHKYSA-N	1	0	440.584	3.113	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)C1CCCCC1	ZINC000069653021	569511507	/nfs/dbraw/zinc/51/15/07/569511507.db2.gz	RORZEEXYXKYXAP-QPPBQGQZSA-N	1	0	444.620	3.310	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000009302765	569520911	/nfs/dbraw/zinc/52/09/11/569520911.db2.gz	NRVYVQKGWHDFGW-GRXQJBFDSA-N	1	0	448.361	3.016	50	0		IGAARO
O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000009577010	569548187	/nfs/dbraw/zinc/54/81/87/569548187.db2.gz	HQRSMQUHZKJQSF-UYRXBGFRSA-N	1	0	425.510	3.097	50	0		IGAARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000009743248	569565474	/nfs/dbraw/zinc/56/54/74/569565474.db2.gz	SOHSRNWUICKMKG-QFIPXVFZSA-N	1	0	438.531	3.449	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc(OC)c3)nc1=O)CCC2	ZINC000009746011	569565695	/nfs/dbraw/zinc/56/56/95/569565695.db2.gz	QMQVNOKMNQBPPX-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@@H]4CCC[N@@H+]4C)[C@H](C)C3=O)n2)c1	ZINC000034769674	569587614	/nfs/dbraw/zinc/58/76/14/569587614.db2.gz	AHTWJWHMEYZGSU-CABCVRRESA-N	1	0	442.585	3.212	50	0		IGAARO
C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CC[NH+](CC)CC1	ZINC000035991403	569587763	/nfs/dbraw/zinc/58/77/63/569587763.db2.gz	YHJHGERBEUWLQX-OAQYLSRUSA-N	1	0	446.979	3.047	50	0		IGAARO
CC(C)(C)NC1=[NH+]c2ncccc2NC12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2	ZINC000101734262	569588255	/nfs/dbraw/zinc/58/82/55/569588255.db2.gz	NEPGGNOORXXNKB-LJQANCHMSA-N	1	0	435.528	3.126	50	0		IGAARO
Cc1nc2cc(NC(=O)COc3ccc4c(c3)NC(=O)CC4)ccc2n1CCC[NH+](C)C	ZINC000096223815	193936715	/nfs/dbraw/zinc/93/67/15/193936715.db2.gz	BRWCYTIYFFUDFW-UHFFFAOYSA-N	1	0	435.528	3.199	50	0		IGAARO
COc1cc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)ccc1O	ZINC000000819208	132230992	/nfs/dbraw/zinc/23/09/92/132230992.db2.gz	RFCJRPBTYQADLQ-UHFFFAOYSA-N	1	0	427.520	3.101	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1	ZINC000003670355	132267431	/nfs/dbraw/zinc/26/74/31/132267431.db2.gz	JUMQWHRXNZCDBW-XMMPIXPASA-N	1	0	440.544	3.131	50	0		IGAARO
Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)[nH+]1	ZINC000017012429	132357149	/nfs/dbraw/zinc/35/71/49/132357149.db2.gz	OATCXNPGOCYRIJ-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12	ZINC000020611689	519419736	/nfs/dbraw/zinc/41/97/36/519419736.db2.gz	KOJMTCSPNDBQIP-FDGPYGQJSA-N	1	0	437.927	3.307	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1Cl)C2	ZINC000014745493	519534517	/nfs/dbraw/zinc/53/45/17/519534517.db2.gz	VWFNMVYLWPORLS-LJQANCHMSA-N	1	0	445.007	3.355	50	0		IGAARO
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2	ZINC000014531796	519719537	/nfs/dbraw/zinc/71/95/37/519719537.db2.gz	IHLXTICOWICKDP-FQEVSTJZSA-N	1	0	427.614	3.414	50	0		IGAARO
CCCOc1c(C[NH2+]CCCSc2nnnn2C)cc(Br)cc1OC	ZINC000040744613	520293545	/nfs/dbraw/zinc/29/35/45/520293545.db2.gz	QGURZARFMVLVNZ-UHFFFAOYSA-N	1	0	430.372	3.042	50	0		IGAARO
CCOc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1Br	ZINC000020477841	520592092	/nfs/dbraw/zinc/59/20/92/520592092.db2.gz	XPIWLLWFKQUUJM-UHFFFAOYSA-N	1	0	436.188	3.422	50	0		IGAARO
CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1=O	ZINC000012183799	520689470	/nfs/dbraw/zinc/68/94/70/520689470.db2.gz	GMXGFIMNNUKKBJ-IBGZPJMESA-N	1	0	444.620	3.297	50	0		IGAARO
CC1CCC2(CC1)OC[C@@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccc(Cl)c(Cl)c1	ZINC000035981566	520966639	/nfs/dbraw/zinc/96/66/39/520966639.db2.gz	UDUSTTFRWSTCHQ-UARVQCNDSA-N	1	0	442.387	3.419	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OCC)c(OCC)c3)C2=O)cc1	ZINC000020494371	521036544	/nfs/dbraw/zinc/03/65/44/521036544.db2.gz	PJYUCXHFDNXEMP-FQEVSTJZSA-N	1	0	426.513	3.347	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(Cl)c1	ZINC000012596712	521784579	/nfs/dbraw/zinc/78/45/79/521784579.db2.gz	ARMKCZAJOGIBEA-KRWDZBQOSA-N	1	0	433.980	3.358	50	0		IGAARO
COc1c(C)cc(-c2ccc3nc(C(=O)N4CCN(CCC[NH+](C)C)CC4)cn3c2)cc1C	ZINC000034831191	521785127	/nfs/dbraw/zinc/78/51/27/521785127.db2.gz	QTKVZHOLXJLGQN-UHFFFAOYSA-N	1	0	449.599	3.336	50	0		IGAARO
COC(=O)c1cc(CNC(=O)C2([NH+]3CCCC3)CCCC2)cc(NC(=O)c2ccoc2)c1	ZINC000012157808	521846127	/nfs/dbraw/zinc/84/61/27/521846127.db2.gz	NTQDXZGBNDUMJW-UHFFFAOYSA-N	1	0	439.512	3.343	50	0		IGAARO
Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1	ZINC000012560004	521859702	/nfs/dbraw/zinc/85/97/02/521859702.db2.gz	AEGMYUOBZGMWBN-FQEVSTJZSA-N	1	0	437.569	3.184	50	0		IGAARO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1	ZINC000021718180	521980706	/nfs/dbraw/zinc/98/07/06/521980706.db2.gz	GTJUSGQZAMSGSN-IRXDYDNUSA-N	1	0	445.560	3.482	50	0		IGAARO
CCc1nnc(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1	ZINC000022379500	522131994	/nfs/dbraw/zinc/13/19/94/522131994.db2.gz	NKOOERIBJUXXKH-UHFFFAOYSA-N	1	0	436.585	3.420	50	0		IGAARO
CNS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl	ZINC000012785078	522263396	/nfs/dbraw/zinc/26/33/96/522263396.db2.gz	UBMXCODMRFCDEX-UHFFFAOYSA-N	1	0	435.977	3.164	50	0		IGAARO
COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012718939	522356919	/nfs/dbraw/zinc/35/69/19/522356919.db2.gz	HVJYKQQGNGJRHM-FQEVSTJZSA-N	1	0	432.565	3.024	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1	ZINC000021868214	523020654	/nfs/dbraw/zinc/02/06/54/523020654.db2.gz	BILWBCFEKTZOKX-IBGZPJMESA-N	1	0	429.517	3.358	50	0		IGAARO
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+]3CCCCCC3)CC2)c2ccccc2O1	ZINC000020489452	523392829	/nfs/dbraw/zinc/39/28/29/523392829.db2.gz	UEAODNAMASRAPZ-OAQYLSRUSA-N	1	0	442.604	3.488	50	0		IGAARO
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCCC[C@@H]2c2nccs2)CC1	ZINC000012307331	523808379	/nfs/dbraw/zinc/80/83/79/523808379.db2.gz	KDYPALMQDDCONQ-MRXNPFEDSA-N	1	0	444.630	3.357	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)CC1	ZINC000020728752	523896823	/nfs/dbraw/zinc/89/68/23/523896823.db2.gz	YCALJMUXRLGHJV-OQKWZONESA-N	1	0	436.581	3.139	50	0		IGAARO
COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)cc1OC	ZINC000011996962	523945580	/nfs/dbraw/zinc/94/55/80/523945580.db2.gz	CCCCFSKYBYJDAK-FQEVSTJZSA-N	1	0	430.520	3.435	50	0		IGAARO
COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1OC	ZINC000020732124	523973727	/nfs/dbraw/zinc/97/37/27/523973727.db2.gz	DUOUUCVBZFYPRY-IBGZPJMESA-N	1	0	441.524	3.307	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21	ZINC000012514492	524103129	/nfs/dbraw/zinc/10/31/29/524103129.db2.gz	SZNAUUJLMQSIPN-QGZVFWFLSA-N	1	0	432.590	3.162	50	0		IGAARO
Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1	ZINC000021534209	524402671	/nfs/dbraw/zinc/40/26/71/524402671.db2.gz	AEHMWKLCPVNIFX-UHFFFAOYSA-N	1	0	443.613	3.131	50	0		IGAARO
Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1	ZINC000022831728	524446455	/nfs/dbraw/zinc/44/64/55/524446455.db2.gz	GDFPJCSGFVNIKO-UHFFFAOYSA-N	1	0	436.600	3.183	50	0		IGAARO
COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2=NN(C)C(=O)CC2)CC1	ZINC000012429852	524447583	/nfs/dbraw/zinc/44/75/83/524447583.db2.gz	MQSBMRYJELRWTF-UHFFFAOYSA-N	1	0	428.577	3.000	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(C(=O)NCC[C@H](C)[NH+]3CCCCCC3)s2)cc1	ZINC000033060202	524656589	/nfs/dbraw/zinc/65/65/89/524656589.db2.gz	STIRUTFXWWGONF-HNNXBMFYSA-N	1	0	431.562	3.183	50	0		IGAARO
COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000057381165	524782693	/nfs/dbraw/zinc/78/26/93/524782693.db2.gz	STZIYFSQSHWUJY-UONOGXRCSA-N	1	0	439.965	3.277	50	0		IGAARO
C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCCc2cccnc2)C[C@H](C)O1	ZINC000012307212	524886442	/nfs/dbraw/zinc/88/64/42/524886442.db2.gz	NSGIFELWUGIAHX-CALCHBBNSA-N	1	0	441.963	3.355	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCCn2ccnc2)c1	ZINC000012303210	524926369	/nfs/dbraw/zinc/92/63/69/524926369.db2.gz	VQSNMAIQJDIVBL-UHFFFAOYSA-N	1	0	426.561	3.498	50	0		IGAARO
C[C@@H]1CN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)CC[N@@H+]1C	ZINC000022914055	524980658	/nfs/dbraw/zinc/98/06/58/524980658.db2.gz	FSONFQYQEPDMOZ-QGZVFWFLSA-N	1	0	437.975	3.322	50	0		IGAARO
C[C@H]1Cc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2N1C(=O)C1CC1	ZINC000020516859	524982659	/nfs/dbraw/zinc/98/26/59/524982659.db2.gz	GLKBYXSQFLWHBJ-KRWDZBQOSA-N	1	0	431.602	3.013	50	0		IGAARO
Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccn1	ZINC000022697950	525326062	/nfs/dbraw/zinc/32/60/62/525326062.db2.gz	GDBPJYUVLQDKDC-HSZRJFAPSA-N	1	0	438.959	3.296	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccncc3)no2)[NH+]2CCCCC2)cc1	ZINC000022685953	525354492	/nfs/dbraw/zinc/35/44/92/525354492.db2.gz	DQRYKFJQYLMSLF-NRFANRHFSA-N	1	0	435.528	3.416	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21	ZINC000020533382	525557811	/nfs/dbraw/zinc/55/78/11/525557811.db2.gz	LYQARSBUUHENRK-GEYWLOKFSA-N	1	0	447.988	3.065	50	0		IGAARO
Cc1c(C(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)oc2c1-c1n[nH]cc1CC2	ZINC000020900766	525610575	/nfs/dbraw/zinc/61/05/75/525610575.db2.gz	ILSIQKLOVJOIKH-UHFFFAOYSA-N	1	0	425.577	3.147	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1	ZINC000035454104	525621527	/nfs/dbraw/zinc/62/15/27/525621527.db2.gz	JWQLKGSLVHOPBP-SFHVURJKSA-N	1	0	440.588	3.409	50	0		IGAARO
Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12	ZINC000020590123	525684134	/nfs/dbraw/zinc/68/41/34/525684134.db2.gz	LWYKEIALGJITKN-UHFFFAOYSA-N	1	0	433.560	3.151	50	0		IGAARO
Cc1ccsc1C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	ZINC000012305083	525818373	/nfs/dbraw/zinc/81/83/73/525818373.db2.gz	YEIHZWYCCPCYLH-UHFFFAOYSA-N	1	0	426.586	3.085	50	0		IGAARO
COc1cccc(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)c1	ZINC000070670120	526153587	/nfs/dbraw/zinc/15/35/87/526153587.db2.gz	HDQONPFINLODRO-LVDFLNIKSA-N	1	0	440.584	3.102	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O	ZINC000021049792	526309347	/nfs/dbraw/zinc/30/93/47/526309347.db2.gz	HOJWIOXXSBFIRR-UHFFFAOYSA-N	1	0	443.979	3.188	50	0		IGAARO
O=C([C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCC([NH+]2CCCCC2)CC1	ZINC000015728068	526540925	/nfs/dbraw/zinc/54/09/25/526540925.db2.gz	PZMFAECGGKCWAN-SFHVURJKSA-N	1	0	428.606	3.022	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1)N1CCC[C@H](O)C1	ZINC000012243327	526697411	/nfs/dbraw/zinc/69/74/11/526697411.db2.gz	WIUWBCMTRXBIQS-DEOSSOPVSA-N	1	0	425.548	3.224	50	0		IGAARO
O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCC[NH+]1CCCCCC1	ZINC000035404651	526725072	/nfs/dbraw/zinc/72/50/72/526725072.db2.gz	LPTSHTRTIWSKLJ-UHFFFAOYSA-N	1	0	425.552	3.093	50	0		IGAARO
O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000022810918	526767214	/nfs/dbraw/zinc/76/72/14/526767214.db2.gz	AJFHEDCSHXAOMJ-KPKJPENVSA-N	1	0	432.612	3.098	50	0		IGAARO
O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(CC[NH+]2CCCC2)CC1	ZINC000022786177	526865762	/nfs/dbraw/zinc/86/57/62/526865762.db2.gz	GJYWGSADQZNBKC-UHFFFAOYSA-N	1	0	443.595	3.452	50	0		IGAARO
Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCc4ccc(F)cc4)cc3)cc2n(C)c1=O	ZINC000016363916	527107003	/nfs/dbraw/zinc/10/70/03/527107003.db2.gz	FNPTYVDXJPPIKJ-VWLOTQADSA-N	1	0	449.526	3.461	50	0		IGAARO
O=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CC[NH+](C2CCCCC2)CC1	ZINC000020414858	527383780	/nfs/dbraw/zinc/38/37/80/527383780.db2.gz	QLDBMLMOEFPPHR-UHFFFAOYSA-N	1	0	436.600	3.176	50	0		IGAARO
Cn1ncc2c3ccccc3n(CCCC(=O)N3CC[NH+](C4CCCCC4)CC3)c2c1=O	ZINC000035372237	527588149	/nfs/dbraw/zinc/58/81/49/527588149.db2.gz	NAQVZMDATXPJCA-UHFFFAOYSA-N	1	0	435.572	3.145	50	0		IGAARO
COc1cc(C(=O)Oc2ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c2C)cc(OC)c1OC	ZINC000000638665	555517479	/nfs/dbraw/zinc/51/74/79/555517479.db2.gz	SQVISWDYYIJRMB-SFHVURJKSA-N	1	0	447.528	3.286	50	0		IGAARO
O=C(c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1)N1CCOCC1	ZINC000034684552	555820211	/nfs/dbraw/zinc/82/02/11/555820211.db2.gz	PKWQLHORKQGBMF-UHFFFAOYSA-N	1	0	446.551	3.054	50	0		IGAARO
CN1C(=O)C(=C2C=C(c3ccccc3)N(CC[NH+](C)C)C3=C2CCCC3)C(=O)N(C)C1=O	ZINC000002692969	556120519	/nfs/dbraw/zinc/12/05/19/556120519.db2.gz	YRKLBCNWYINONA-UHFFFAOYSA-N	1	0	434.540	3.080	50	0		IGAARO
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1	ZINC000009933870	556317301	/nfs/dbraw/zinc/31/73/01/556317301.db2.gz	CAKXCLFBJVDYDE-LJQANCHMSA-N	1	0	441.553	3.063	50	0		IGAARO
Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)NCCC[NH+](C)C)CC3)cs2)cc1	ZINC000013942711	556340012	/nfs/dbraw/zinc/34/00/12/556340012.db2.gz	NJISURZODXEKKT-UHFFFAOYSA-N	1	0	429.590	3.115	50	0		IGAARO
COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000011664568	556345320	/nfs/dbraw/zinc/34/53/20/556345320.db2.gz	MBFNWWLKOYYCLV-HXUWFJFHSA-N	1	0	438.572	3.429	50	0		IGAARO
CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC000011783625	556352191	/nfs/dbraw/zinc/35/21/91/556352191.db2.gz	JHAJQWVRFWOSST-IBGZPJMESA-N	1	0	432.572	3.421	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1)N1CCC[C@H](CO)C1	ZINC000011841440	556365133	/nfs/dbraw/zinc/36/51/33/556365133.db2.gz	IRBOLLSZIXLWKG-IBGZPJMESA-N	1	0	427.614	3.394	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2nc(-c3ccccc3)n(C)c2c(NC(=O)COC)c1	ZINC000011880214	556372172	/nfs/dbraw/zinc/37/21/72/556372172.db2.gz	PDFZTIRLFWVDPJ-IBGZPJMESA-N	1	0	449.555	3.039	50	0		IGAARO
C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000012024132	556387516	/nfs/dbraw/zinc/38/75/16/556387516.db2.gz	WFZLRXGAUPMBMX-FQEVSTJZSA-N	1	0	435.568	3.075	50	0		IGAARO
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000012024210	556387537	/nfs/dbraw/zinc/38/75/37/556387537.db2.gz	IWTNHUQIBCFQIG-CQSZACIVSA-N	1	0	429.446	3.245	50	0		IGAARO
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2	ZINC000012041740	556391129	/nfs/dbraw/zinc/39/11/29/556391129.db2.gz	FPPWDGODKIFUAN-OAQYLSRUSA-N	1	0	427.593	3.310	50	0		IGAARO
Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2ccc(N3CCNC3=O)cc2)C1	ZINC000012058292	556395199	/nfs/dbraw/zinc/39/51/99/556395199.db2.gz	GRJPCPWDQJHBJU-QHCPKHFHSA-N	1	0	448.611	3.480	50	0		IGAARO
COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccs2)cc1S(=O)(=O)N1CCCCC1	ZINC000014250647	556408824	/nfs/dbraw/zinc/40/88/24/556408824.db2.gz	VQAVNOODXUWFLR-OAHLLOKOSA-N	1	0	437.587	3.221	50	0		IGAARO
COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)cc1S(=O)(=O)N1CCCCC1	ZINC000014250645	556408834	/nfs/dbraw/zinc/40/88/34/556408834.db2.gz	VQAVNOODXUWFLR-HNNXBMFYSA-N	1	0	437.587	3.221	50	0		IGAARO
Cc1cc(=O)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000059995905	556416711	/nfs/dbraw/zinc/41/67/11/556416711.db2.gz	ATIOQVYOHRCPKD-LSDHHAIUSA-N	1	0	436.478	3.410	50	0		IGAARO
Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1CCN(Cc3ccccc3)CC1)C2	ZINC000014533243	556421896	/nfs/dbraw/zinc/42/18/96/556421896.db2.gz	QMGCEUQQGSDEAE-QFIPXVFZSA-N	1	0	435.616	3.158	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2	ZINC000014533216	556421929	/nfs/dbraw/zinc/42/19/29/556421929.db2.gz	JOOUYDDBRKZQOT-HXUWFJFHSA-N	1	0	445.007	3.355	50	0		IGAARO
CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccnc1)CC2	ZINC000014539410	556424970	/nfs/dbraw/zinc/42/49/70/556424970.db2.gz	XVHDKJPKUVXIMY-UHFFFAOYSA-N	1	0	435.572	3.364	50	0		IGAARO
COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccsc1)CC2	ZINC000014733126	556437450	/nfs/dbraw/zinc/43/74/50/556437450.db2.gz	RQYCMWDXHZYVRU-UHFFFAOYSA-N	1	0	439.581	3.161	50	0		IGAARO
CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000014742767	556439374	/nfs/dbraw/zinc/43/93/74/556439374.db2.gz	OVZFUFRTFMEGPU-UHFFFAOYSA-N	1	0	431.540	3.392	50	0		IGAARO
O=C(Cn1nc2ccccc2n1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1	ZINC000014950787	556460585	/nfs/dbraw/zinc/46/05/85/556460585.db2.gz	DZRXCLKMJDWRCJ-NRFANRHFSA-N	1	0	425.577	3.094	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)CC1	ZINC000014963917	556464908	/nfs/dbraw/zinc/46/49/08/556464908.db2.gz	QDPAUELEFLIGSA-SFHVURJKSA-N	1	0	425.533	3.144	50	0		IGAARO
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccccc5)CC4)c3C2=O)n1	ZINC000014985915	556472663	/nfs/dbraw/zinc/47/26/63/556472663.db2.gz	QIXXWJHQXNRJHH-UHFFFAOYSA-N	1	0	443.551	3.118	50	0		IGAARO
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(OC)c(C)c2)CC3)c1	ZINC000014988009	556473607	/nfs/dbraw/zinc/47/36/07/556473607.db2.gz	LVZRIZJIFZZIJB-SFHVURJKSA-N	1	0	449.555	3.153	50	0		IGAARO
CSc1ccc2cc(CN(C)Cc3nonc3C)c(=O)n(CC[NH+]3CCCC3)c2c1	ZINC000014995139	556477141	/nfs/dbraw/zinc/47/71/41/556477141.db2.gz	CLKOREVSEJUPDT-UHFFFAOYSA-N	1	0	427.574	3.143	50	0		IGAARO
CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1	ZINC000015067224	556493453	/nfs/dbraw/zinc/49/34/53/556493453.db2.gz	KWCFBJACHCJNDP-XMMPIXPASA-N	1	0	438.616	3.325	50	0		IGAARO
C[NH+](C)CCn1c2c3c(sc2c(=O)n(-c2cccc(Cl)c2)c1=O)CC(C)(C)OC3	ZINC000013593507	556531259	/nfs/dbraw/zinc/53/12/59/556531259.db2.gz	CNKINZBIIFVVDT-UHFFFAOYSA-N	1	0	433.961	3.280	50	0		IGAARO
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000015679170	556543077	/nfs/dbraw/zinc/54/30/77/556543077.db2.gz	SKOCJCCTXFMHMM-UHFFFAOYSA-N	1	0	449.507	3.368	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]21	ZINC000016010401	556573919	/nfs/dbraw/zinc/57/39/19/556573919.db2.gz	WDARLMPGIOEXFL-ORGXJRBJSA-N	1	0	443.425	3.286	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016010254	556573953	/nfs/dbraw/zinc/57/39/53/556573953.db2.gz	QPDLJKCBOLPAIZ-CMCWBKRRSA-N	1	0	435.911	3.334	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000016024831	556576246	/nfs/dbraw/zinc/57/62/46/556576246.db2.gz	XOQCUAXBWURDMH-YDLHNXBPSA-N	1	0	437.927	3.103	50	0		IGAARO
O=C(CC[NH+]1CCC(NC(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1	ZINC000011101335	556579629	/nfs/dbraw/zinc/57/96/29/556579629.db2.gz	VJPNJRRNDNYANC-UHFFFAOYSA-N	1	0	434.540	3.036	50	0		IGAARO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c1)C(C)(C)C[NH+](C)C	ZINC000072311473	556584381	/nfs/dbraw/zinc/58/43/81/556584381.db2.gz	HGKLUDGOBFKHOI-ZWKOTPCHSA-N	1	0	431.602	3.432	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCC[NH+]2CCCCCC2)s1	ZINC000032995382	556610143	/nfs/dbraw/zinc/61/01/43/556610143.db2.gz	NJQXWVHNVSSMLW-UHFFFAOYSA-N	1	0	429.590	3.414	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccccc2OC)n[nH]1	ZINC000409413059	556640345	/nfs/dbraw/zinc/64/03/45/556640345.db2.gz	ARKMUCMONBPIJB-PGRDOPGGSA-N	1	0	426.561	3.438	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1	ZINC000409414818	556640437	/nfs/dbraw/zinc/64/04/37/556640437.db2.gz	OYAHLUCCWAKOQL-LYGMZBLVSA-N	1	0	441.616	3.336	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1	ZINC000409413605	556641038	/nfs/dbraw/zinc/64/10/38/556641038.db2.gz	CNERGUVGRNBIAY-NNWRFLSQSA-N	1	0	440.588	3.348	50	0		IGAARO
CCc1nn([C@H](C)C(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c2cc3occc3n21	ZINC000005149715	556642636	/nfs/dbraw/zinc/64/26/36/556642636.db2.gz	HWSRBCITBSPPJR-MRXNPFEDSA-N	1	0	427.549	3.136	50	0		IGAARO
CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000040720296	556645897	/nfs/dbraw/zinc/64/58/97/556645897.db2.gz	UEYUJNXPYYXRDL-UHFFFAOYSA-N	1	0	441.572	3.223	50	0		IGAARO
CC(C)CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1	ZINC000032933136	556676377	/nfs/dbraw/zinc/67/63/77/556676377.db2.gz	DTGJSSGEABVEGZ-UHFFFAOYSA-N	1	0	429.586	3.316	50	0		IGAARO
CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1	ZINC000248249240	556677732	/nfs/dbraw/zinc/67/77/32/556677732.db2.gz	RNZGTXLSMVLAJY-FQEVSTJZSA-N	1	0	445.011	3.085	50	0		IGAARO
Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Br)cc2)cc1	ZINC000045966602	556688820	/nfs/dbraw/zinc/68/88/20/556688820.db2.gz	KZZAMDKXZDRPQG-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
COc1cccc(OCC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1	ZINC000053175140	556724327	/nfs/dbraw/zinc/72/43/27/556724327.db2.gz	CIYAUWZIWKJLKL-UHFFFAOYSA-N	1	0	430.512	3.025	50	0		IGAARO
Cc1cc(C)n(CC(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1	ZINC000055269643	556739450	/nfs/dbraw/zinc/73/94/50/556739450.db2.gz	IVDDMCHKJPCWFT-NRFANRHFSA-N	1	0	449.521	3.332	50	0		IGAARO
Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)c1	ZINC000005254617	556747609	/nfs/dbraw/zinc/74/76/09/556747609.db2.gz	FODJZYJRAAOHMZ-UHFFFAOYSA-N	1	0	428.602	3.421	50	0		IGAARO
COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C	ZINC000019371822	556748693	/nfs/dbraw/zinc/74/86/93/556748693.db2.gz	XLKWSSIQDSIUTH-JOCHJYFZSA-N	1	0	437.540	3.075	50	0		IGAARO
O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC(Cc2ccccc2)CC1	ZINC000057992252	556751143	/nfs/dbraw/zinc/75/11/43/556751143.db2.gz	XXPGCOIBROTMEE-HHHXNRCGSA-N	1	0	446.595	3.485	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1	ZINC000058210533	556772251	/nfs/dbraw/zinc/77/22/51/556772251.db2.gz	UYLLLJFTKUBERH-MRXNPFEDSA-N	1	0	443.013	3.463	50	0		IGAARO
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000058210530	556772292	/nfs/dbraw/zinc/77/22/92/556772292.db2.gz	IMWTWVDJJVPIFH-KRWDZBQOSA-N	1	0	440.997	3.217	50	0		IGAARO
O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(N2CC[NH+](C3CC3)CC2)cc1	ZINC000058299299	556778497	/nfs/dbraw/zinc/77/84/97/556778497.db2.gz	CYYNFHVNUFZNRK-UHFFFAOYSA-N	1	0	427.593	3.322	50	0		IGAARO
Cc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000064799883	556827139	/nfs/dbraw/zinc/82/71/39/556827139.db2.gz	YEGLHMBCWYWCON-UHFFFAOYSA-N	1	0	443.551	3.251	50	0		IGAARO
Cc1nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc(N2CCCC2)[nH+]1	ZINC000065362416	556834241	/nfs/dbraw/zinc/83/42/41/556834241.db2.gz	MFVRLKOMMGAAET-UHFFFAOYSA-N	1	0	437.569	3.049	50	0		IGAARO
OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1	ZINC000062580278	556836036	/nfs/dbraw/zinc/83/60/36/556836036.db2.gz	DHXNWRGGHDYEQW-QHCPKHFHSA-N	1	0	428.540	3.349	50	0		IGAARO
Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000067629549	556844942	/nfs/dbraw/zinc/84/49/42/556844942.db2.gz	NVYFCWDIXAWAIS-UHFFFAOYSA-N	1	0	429.586	3.094	50	0		IGAARO
O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCC[NH+]1CCCC1	ZINC000033255185	556894783	/nfs/dbraw/zinc/89/47/83/556894783.db2.gz	KSQPIOQCDSEGJM-UHFFFAOYSA-N	1	0	432.524	3.413	50	0		IGAARO
O=C(N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)C1(O)CCCC1	ZINC000072145299	556899534	/nfs/dbraw/zinc/89/95/34/556899534.db2.gz	DMMDTKRZQIAOIL-IBGZPJMESA-N	1	0	425.495	3.124	50	0		IGAARO
c1cc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2c1OCC2	ZINC000019770587	556912792	/nfs/dbraw/zinc/91/27/92/556912792.db2.gz	FJCXVTYIJPQXGJ-QHCPKHFHSA-N	1	0	435.568	3.132	50	0		IGAARO
NC(=O)CC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1	ZINC000019837878	556928853	/nfs/dbraw/zinc/92/88/53/556928853.db2.gz	UJIQYQSMPGLNGO-UHFFFAOYSA-N	1	0	443.551	3.338	50	0		IGAARO
Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C1=O	ZINC000019881311	556937310	/nfs/dbraw/zinc/93/73/10/556937310.db2.gz	KUZOSZWFAJSWSB-LTGZKZEYSA-N	1	0	439.943	3.488	50	0		IGAARO
Cc1cc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)no1	ZINC000022972298	557055253	/nfs/dbraw/zinc/05/52/53/557055253.db2.gz	KFTVOUUHVUJJOW-OAQYLSRUSA-N	1	0	430.508	3.022	50	0		IGAARO
CCOC(=O)c1ccn(-c2cccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)n1	ZINC000048301267	557062614	/nfs/dbraw/zinc/06/26/14/557062614.db2.gz	YLJSHGDATJXTKI-FQEVSTJZSA-N	1	0	433.512	3.445	50	0		IGAARO
CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)CC1	ZINC000048302801	557064308	/nfs/dbraw/zinc/06/43/08/557064308.db2.gz	NNFMQQRELLFCAQ-QFIPXVFZSA-N	1	0	427.570	3.323	50	0		IGAARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000023224363	557074843	/nfs/dbraw/zinc/07/48/43/557074843.db2.gz	PNKDWVAJWPJJSB-OAHLLOKOSA-N	1	0	430.911	3.223	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1	ZINC000049574884	557114211	/nfs/dbraw/zinc/11/42/11/557114211.db2.gz	HJAGGNIYQASAOM-YADHBBJMSA-N	1	0	437.584	3.165	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000049713865	557118252	/nfs/dbraw/zinc/11/82/52/557118252.db2.gz	OMYCOSYSHAPXGK-RQXXJAGISA-N	1	0	442.302	3.425	50	0		IGAARO
O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000023873414	557122272	/nfs/dbraw/zinc/12/22/72/557122272.db2.gz	VDBRQCXYICGNDI-UHFFFAOYSA-N	1	0	438.531	3.403	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccc(F)c1	ZINC000017794321	557122843	/nfs/dbraw/zinc/12/28/43/557122843.db2.gz	BLUIOYFVARSZOY-GOSISDBHSA-N	1	0	436.325	3.127	50	0		IGAARO
COc1ccccc1CN1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1=O	ZINC000014952256	557168257	/nfs/dbraw/zinc/16/82/57/557168257.db2.gz	TZGRAUUWTIWVJZ-HSZRJFAPSA-N	1	0	435.568	3.346	50	0		IGAARO
COc1ccc(CN2CCN(Cn3nc(C[NH+]4CCCCC4)oc3=S)CC2)cc1F	ZINC000024974943	557184648	/nfs/dbraw/zinc/18/46/48/557184648.db2.gz	HYABFIOROUPMCL-UHFFFAOYSA-N	1	0	435.569	3.114	50	0		IGAARO
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1	ZINC000025461710	557211197	/nfs/dbraw/zinc/21/11/97/557211197.db2.gz	CSKIVTYHSLMKQW-DEOSSOPVSA-N	1	0	432.568	3.168	50	0		IGAARO
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2c3ccccc3nnc2-c2ccccc2)CC1	ZINC000032953208	557259200	/nfs/dbraw/zinc/25/92/00/557259200.db2.gz	FEJMLLUJUZHQKH-UHFFFAOYSA-N	1	0	443.551	3.243	50	0		IGAARO
O=C(Nc1ccccc1)C1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1	ZINC000101490893	557288269	/nfs/dbraw/zinc/28/82/69/557288269.db2.gz	UMVIZSGIDUHIAL-LJQANCHMSA-N	1	0	429.879	3.462	50	0		IGAARO
COc1ccc(N2C(=O)c3ccccc3/C(=C/NCC(C)(C)C[NH+](C)C)C2=O)cc1OC	ZINC000102304982	557316060	/nfs/dbraw/zinc/31/60/60/557316060.db2.gz	NQZQUQRNYHEBSM-ZHZULCJRSA-N	1	0	437.540	3.409	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1	ZINC000033254575	557327917	/nfs/dbraw/zinc/32/79/17/557327917.db2.gz	HIMOVLIGEBUBOD-FQEVSTJZSA-N	1	0	435.634	3.024	50	0		IGAARO
O=S(=O)(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(Br)s1	ZINC000225574201	557394706	/nfs/dbraw/zinc/39/47/06/557394706.db2.gz	GDRSQAVXHQUCCK-LBPRGKRZSA-N	1	0	425.439	3.006	50	0		IGAARO
CCc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](CC)CC)c3c2CCC3)cc1	ZINC000004851749	557397068	/nfs/dbraw/zinc/39/70/68/557397068.db2.gz	TUMNCFKUIBOPQI-UHFFFAOYSA-N	1	0	428.602	3.367	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)n2)cc1	ZINC000103742999	557441700	/nfs/dbraw/zinc/44/17/00/557441700.db2.gz	FVCHPFHJWHOTBV-ICSRJNTNSA-N	1	0	441.576	3.200	50	0		IGAARO
COc1ccc([C@@H]2[C@@H](COC(=O)CCn3cnc4ccccc4c3=O)CCC[N@@H+]2C)cc1	ZINC000106914063	557533558	/nfs/dbraw/zinc/53/35/58/557533558.db2.gz	SBROSZQWWFPFKH-NTKDMRAZSA-N	1	0	435.524	3.422	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000107174771	557535053	/nfs/dbraw/zinc/53/50/53/557535053.db2.gz	UVNBHTBTYNDYFU-FBAVSBLXSA-N	1	0	441.409	3.137	50	0		IGAARO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000107176789	557535119	/nfs/dbraw/zinc/53/51/19/557535119.db2.gz	KKLZCNMVZQZMPF-RAZUEPIFSA-N	1	0	435.911	3.075	50	0		IGAARO
C[C@@H]1CN(C[C@H]2CCCN2CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@H](C)O1	ZINC000229655763	557832804	/nfs/dbraw/zinc/83/28/04/557832804.db2.gz	MOVRQWLGYIFOQN-XQBPLPMBSA-N	1	0	437.588	3.262	50	0		IGAARO
COc1cc(OC)c2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1	ZINC000229710912	557833074	/nfs/dbraw/zinc/83/30/74/557833074.db2.gz	OJLYAZGEIVHZTR-APWZRJJASA-N	1	0	428.529	3.042	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000003447174	562935988	/nfs/dbraw/zinc/93/59/88/562935988.db2.gz	WCZJYVWROBPNCQ-LJQANCHMSA-N	1	0	441.572	3.116	50	0		IGAARO
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCCO)cc21	ZINC000003628249	562936877	/nfs/dbraw/zinc/93/68/77/562936877.db2.gz	GWWHJNIXGANOLJ-HXUWFJFHSA-N	1	0	440.540	3.136	50	0		IGAARO
COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)nc3ccccc32)cc1	ZINC000247913356	568632681	/nfs/dbraw/zinc/63/26/81/568632681.db2.gz	VGPWXIJPANZBQQ-NRFANRHFSA-N	1	0	448.567	3.164	50	0		IGAARO
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1	ZINC000015074075	568635738	/nfs/dbraw/zinc/63/57/38/568635738.db2.gz	XFDFUDQYBQYBSI-JOCHJYFZSA-N	1	0	426.561	3.373	50	0		IGAARO
O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000015676869	568804379	/nfs/dbraw/zinc/80/43/79/568804379.db2.gz	SRQLIGQHIYSNSW-UHFFFAOYSA-N	1	0	432.499	3.174	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)n2)cc1	ZINC000015679018	568805338	/nfs/dbraw/zinc/80/53/38/568805338.db2.gz	BQIMPYOMLCRTGE-IBGZPJMESA-N	1	0	441.576	3.342	50	0		IGAARO
C[N@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1	ZINC000015728139	568812844	/nfs/dbraw/zinc/81/28/44/568812844.db2.gz	MWELFGTYBHGRCT-GOSISDBHSA-N	1	0	430.622	3.316	50	0		IGAARO
CC[N@H+](CCCNC(=O)C1CCN(c2ncnc3onc(C)c32)CC1)Cc1ccccc1	ZINC000015728866	568813064	/nfs/dbraw/zinc/81/30/64/568813064.db2.gz	QEQCIZFOTNGFCR-UHFFFAOYSA-N	1	0	436.560	3.171	50	0		IGAARO
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)CC1	ZINC000015779519	568824923	/nfs/dbraw/zinc/82/49/23/568824923.db2.gz	FTYOYLIIPRKPAM-UHFFFAOYSA-N	1	0	430.394	3.329	50	0		IGAARO
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1	ZINC000015779517	568824975	/nfs/dbraw/zinc/82/49/75/568824975.db2.gz	JVQRDVXHTPCRRE-UHFFFAOYSA-N	1	0	430.394	3.329	50	0		IGAARO
Cc1ncc(CN2CC[NH+](C)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21	ZINC000085875547	568838170	/nfs/dbraw/zinc/83/81/70/568838170.db2.gz	JUXSYMDUWGBTHJ-UHFFFAOYSA-N	1	0	433.464	3.386	50	0		IGAARO
O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F	ZINC000225407346	568885227	/nfs/dbraw/zinc/88/52/27/568885227.db2.gz	ALZOIYVVWPBNLY-UXHICEINSA-N	1	0	429.446	3.194	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229901946	568886988	/nfs/dbraw/zinc/88/69/88/568886988.db2.gz	ATPCUYQGOXKMIT-BREDGVMVSA-N	1	0	442.302	3.425	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)cc1	ZINC000064814562	568963935	/nfs/dbraw/zinc/96/39/35/568963935.db2.gz	QVEHDTVXQIJYDA-UHFFFAOYSA-N	1	0	429.590	3.349	50	0		IGAARO
CCn1c2c(C(=O)NC3CCCCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835900	568968954	/nfs/dbraw/zinc/96/89/54/568968954.db2.gz	JTWLWMCTGSNPAU-UHFFFAOYSA-N	1	0	433.556	3.137	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](C)O	ZINC000036308996	568995602	/nfs/dbraw/zinc/99/56/02/568995602.db2.gz	ACBRHOSXKLKMMX-KNQAVFIVSA-N	1	0	446.613	3.281	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC[C@@H](C)[NH+]3CCCCCC3)cc21	ZINC000064952308	568998328	/nfs/dbraw/zinc/99/83/28/568998328.db2.gz	BQFBXAGTLMHELK-QGZVFWFLSA-N	1	0	439.647	3.468	50	0		IGAARO
CC1CC[NH+](CCNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)CC1	ZINC000065000796	569086080	/nfs/dbraw/zinc/08/60/80/569086080.db2.gz	ZPXWNGDNKVINEN-UHFFFAOYSA-N	1	0	435.568	3.454	50	0		IGAARO
Cc1cccc(N2CCN(C(=O)C3CC[NH+](CCc4cn(C)c5ncccc45)CC3)CC2)c1	ZINC000065164964	569112942	/nfs/dbraw/zinc/11/29/42/569112942.db2.gz	KVXFYDHFFHPDFN-UHFFFAOYSA-N	1	0	445.611	3.485	50	0		IGAARO
O=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000065226450	569117923	/nfs/dbraw/zinc/11/79/23/569117923.db2.gz	FMGBXCVXVTZSMS-UHFFFAOYSA-N	1	0	440.636	3.160	50	0		IGAARO
COc1ccc(OC)c(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)c1	ZINC000065255929	569122958	/nfs/dbraw/zinc/12/29/58/569122958.db2.gz	QTAHINISSDTFNR-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1ccn2c(c1)nnc2-c1ccccc1Br	ZINC000065296588	569131617	/nfs/dbraw/zinc/13/16/17/569131617.db2.gz	CMFLDANOUBNLFV-UHFFFAOYSA-N	1	0	428.334	3.375	50	0		IGAARO
COc1cc(OC)c(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1Cl	ZINC000036708089	569134891	/nfs/dbraw/zinc/13/48/91/569134891.db2.gz	GCXLQLYAAGJILW-UHFFFAOYSA-N	1	0	434.928	3.289	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000065615082	569140281	/nfs/dbraw/zinc/14/02/81/569140281.db2.gz	XNIMSJHXTWRPHL-FQEVSTJZSA-N	1	0	429.948	3.331	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12	ZINC000249695199	569155367	/nfs/dbraw/zinc/15/53/67/569155367.db2.gz	QJSXYMDBXXURBE-QILISPFLSA-N	1	0	429.520	3.149	50	0		IGAARO
CCc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4nc5ccccc5[nH]4)CC3)CC2=O)cc1	ZINC000170636110	569177723	/nfs/dbraw/zinc/17/77/23/569177723.db2.gz	NFMUYIFGRLGYJG-LJQANCHMSA-N	1	0	445.567	3.259	50	0		IGAARO
C[NH+](C)CCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(F)cc2F)n1	ZINC000037359651	569181442	/nfs/dbraw/zinc/18/14/42/569181442.db2.gz	PSKIDEWXERRJJB-UHFFFAOYSA-N	1	0	427.434	3.456	50	0		IGAARO
Cc1noc(CN2CCC([NH+]3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)n1	ZINC000252495248	569187929	/nfs/dbraw/zinc/18/79/29/569187929.db2.gz	OOMJEPICJPGSAI-UHFFFAOYSA-N	1	0	425.455	3.300	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000037524147	569198471	/nfs/dbraw/zinc/19/84/71/569198471.db2.gz	UMKHRNCSXVCCLL-RBBKRZOGSA-N	1	0	432.511	3.302	50	0		IGAARO
CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)COc4ccc(F)cc4)CC3)C2)CC1	ZINC000581819777	569211569	/nfs/dbraw/zinc/21/15/69/569211569.db2.gz	KHBCGOCZCKSBEH-QFIPXVFZSA-N	1	0	447.595	3.018	50	0		IGAARO
CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1	ZINC000581820080	569211784	/nfs/dbraw/zinc/21/17/84/569211784.db2.gz	QGQCHPKOMKOUEN-XMMPIXPASA-N	1	0	442.648	3.226	50	0		IGAARO
O=C(CC1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000581820068	569211817	/nfs/dbraw/zinc/21/18/17/569211817.db2.gz	PYWKDRCKROHFKK-JOCHJYFZSA-N	1	0	426.605	3.324	50	0		IGAARO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCCCCC3)o1)CC2	ZINC000253412372	569265832	/nfs/dbraw/zinc/26/58/32/569265832.db2.gz	QUFUSTZVZVGLSQ-UHFFFAOYSA-N	1	0	428.529	3.297	50	0		IGAARO
COc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000225417200	569299271	/nfs/dbraw/zinc/29/92/71/569299271.db2.gz	GEMVQONVDFUQKH-RTBURBONSA-N	1	0	442.560	3.457	50	0		IGAARO
C[C@H]1C[NH+](CCC2CCN(C(=O)CCC(=O)N3CCc4sccc4C3)CC2)C[C@H](C)O1	ZINC000079022405	569322552	/nfs/dbraw/zinc/32/25/52/569322552.db2.gz	XIOCDFYSLPYOEZ-OALUTQOASA-N	1	0	447.645	3.151	50	0		IGAARO
COc1ccc(CNC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1OC	ZINC000079064545	569324264	/nfs/dbraw/zinc/32/42/64/569324264.db2.gz	PARKTCDVKLRNGE-UHFFFAOYSA-N	1	0	431.508	3.186	50	0		IGAARO
O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	ZINC000095467339	569371028	/nfs/dbraw/zinc/37/10/28/569371028.db2.gz	MLNDHXFXGUKXQB-GOSISDBHSA-N	1	0	431.492	3.192	50	0		IGAARO
COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000225687550	569407209	/nfs/dbraw/zinc/40/72/09/569407209.db2.gz	FAYYNXLAAPBIAF-JOCHJYFZSA-N	1	0	429.520	3.119	50	0		IGAARO
O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000002798304	569422112	/nfs/dbraw/zinc/42/21/12/569422112.db2.gz	OSKWKJWEWIOSDZ-CQSZACIVSA-N	1	0	439.741	3.256	50	0		IGAARO
O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000002798303	569422165	/nfs/dbraw/zinc/42/21/65/569422165.db2.gz	OSKWKJWEWIOSDZ-AWEZNQCLSA-N	1	0	439.741	3.256	50	0		IGAARO
O=C(CSc1nnnn1C1CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000057315401	569430945	/nfs/dbraw/zinc/43/09/45/569430945.db2.gz	CQUHSRCWHSSKDC-UHFFFAOYSA-N	1	0	449.584	3.061	50	0		IGAARO
CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1	ZINC000057350863	569431319	/nfs/dbraw/zinc/43/13/19/569431319.db2.gz	PAMNHQCMRYCLSA-ZDUSSCGKSA-N	1	0	434.334	3.497	50	0		IGAARO
COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000057381164	569432876	/nfs/dbraw/zinc/43/28/76/569432876.db2.gz	STZIYFSQSHWUJY-KGLIPLIRSA-N	1	0	439.965	3.277	50	0		IGAARO
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1	ZINC000031056811	569452968	/nfs/dbraw/zinc/45/29/68/569452968.db2.gz	XAOXZOULYLSJDE-HNNXBMFYSA-N	1	0	426.498	3.055	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000032078548	569459435	/nfs/dbraw/zinc/45/94/35/569459435.db2.gz	SFSNHTRPPMFYAT-QGZVFWFLSA-N	1	0	426.948	3.392	50	0		IGAARO
CC[NH+](CC)CCOC(=O)/C=C(\NC(=O)c1ccccc1)c1ccc(OC)c(OC)c1	ZINC000004184215	569460745	/nfs/dbraw/zinc/46/07/45/569460745.db2.gz	WAKSFTTZFZUXGJ-JZJYNLBNSA-N	1	0	426.513	3.360	50	0		IGAARO
CCCC[N@H+](C)CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000008813423	569476693	/nfs/dbraw/zinc/47/66/93/569476693.db2.gz	LWHZNUKWAGIQMB-UHFFFAOYSA-N	1	0	435.565	3.156	50	0		IGAARO
Cc1ccc2nsnc2c1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1	ZINC000008867201	569480243	/nfs/dbraw/zinc/48/02/43/569480243.db2.gz	ZYMOPYQZMQNHRK-UHFFFAOYSA-N	1	0	432.615	3.275	50	0		IGAARO
Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1	ZINC000039969264	569482107	/nfs/dbraw/zinc/48/21/07/569482107.db2.gz	TYNLEUMXXPEEOS-LJQANCHMSA-N	1	0	426.590	3.325	50	0		IGAARO
O=C(CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000040025016	569482783	/nfs/dbraw/zinc/48/27/83/569482783.db2.gz	YBIDWQKOJSPYPH-UHFFFAOYSA-N	1	0	447.461	3.021	50	0		IGAARO
CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1	ZINC000040146933	569492347	/nfs/dbraw/zinc/49/23/47/569492347.db2.gz	PFZLKSJONYGKTD-QFIPXVFZSA-N	1	0	443.613	3.188	50	0		IGAARO
C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(Br)cc3)CC2)C[C@@H](C)O1	ZINC000069373780	569503244	/nfs/dbraw/zinc/50/32/44/569503244.db2.gz	NUQZXAOKJPEVCN-HZPDHXFCSA-N	1	0	425.367	3.176	50	0		IGAARO
Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2	ZINC000069878015	569522630	/nfs/dbraw/zinc/52/26/30/569522630.db2.gz	QJXZKLWMAOLDQQ-KRWDZBQOSA-N	1	0	449.530	3.134	50	0		IGAARO
CC[NH+](CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)cc1	ZINC000009461592	569537083	/nfs/dbraw/zinc/53/70/83/569537083.db2.gz	HDKYMPHINSMNEM-QJOMJCCJSA-N	1	0	448.567	3.416	50	0		IGAARO
CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)cc1	ZINC000009622109	569553508	/nfs/dbraw/zinc/55/35/08/569553508.db2.gz	GTSBZRYXCBHVIE-UHFFFAOYSA-N	1	0	441.528	3.048	50	0		IGAARO
C[C@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12	ZINC000009667321	569557792	/nfs/dbraw/zinc/55/77/92/569557792.db2.gz	WVYMBFDQWVWNHZ-HOYKHHGWSA-N	1	0	430.552	3.324	50	0		IGAARO
C[NH+](C)CCn1c2c(c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc1=O)CCC2	ZINC000009745302	569565628	/nfs/dbraw/zinc/56/56/28/569565628.db2.gz	BAMHFLNRJSEDHX-UHFFFAOYSA-N	1	0	440.491	3.043	50	0		IGAARO
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1	ZINC000002258578	132250234	/nfs/dbraw/zinc/25/02/34/132250234.db2.gz	XYZMVUBOOVWTNF-UHFFFAOYSA-N	1	0	442.466	3.384	50	0		IGAARO
COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)c(OC)c1	ZINC000004703388	132272723	/nfs/dbraw/zinc/27/27/23/132272723.db2.gz	YAWSUZPCGZHCER-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC	ZINC000007241754	132280547	/nfs/dbraw/zinc/28/05/47/132280547.db2.gz	QMKIVXYIAONPBW-SFHVURJKSA-N	1	0	427.545	3.042	50	0		IGAARO
O=C(Cc1cscn1)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1	ZINC000011790580	132339844	/nfs/dbraw/zinc/33/98/44/132339844.db2.gz	FCLYSPPCQBHOGY-UHFFFAOYSA-N	1	0	448.592	3.429	50	0		IGAARO
CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1	ZINC000012466344	519436049	/nfs/dbraw/zinc/43/60/49/519436049.db2.gz	MBCGJBDEDNSMBM-JOCHJYFZSA-N	1	0	432.568	3.376	50	0		IGAARO
CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC[NH+](C(C)C)C(C)C	ZINC000012794775	519799405	/nfs/dbraw/zinc/79/94/05/519799405.db2.gz	XCJIXMYKEJHRCN-JOCHJYFZSA-N	1	0	433.618	3.378	50	0		IGAARO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022912778	519825710	/nfs/dbraw/zinc/82/57/10/519825710.db2.gz	KNUYMKCLEZNCKC-SPHCQZIESA-N	1	0	432.605	3.371	50	0		IGAARO
CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000020530946	520517037	/nfs/dbraw/zinc/51/70/37/520517037.db2.gz	BQXCYBYMAOXPJY-WMZHIEFXSA-N	1	0	435.524	3.356	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020549018	520562721	/nfs/dbraw/zinc/56/27/21/520562721.db2.gz	ZCKMMPBAGUWCLE-MTXNFPGFSA-N	1	0	437.927	3.103	50	0		IGAARO
CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1=O	ZINC000012183796	520690153	/nfs/dbraw/zinc/69/01/53/520690153.db2.gz	GMXGFIMNNUKKBJ-LJQANCHMSA-N	1	0	444.620	3.297	50	0		IGAARO
CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1=O	ZINC000014954264	520690329	/nfs/dbraw/zinc/69/03/29/520690329.db2.gz	ZUALUTQUDIQADJ-FQEVSTJZSA-N	1	0	444.620	3.440	50	0		IGAARO
CCOc1cc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)ccc1OC	ZINC000012454669	520699830	/nfs/dbraw/zinc/69/98/30/520699830.db2.gz	MAQZXQHQYNISKS-IBGZPJMESA-N	1	0	427.549	3.149	50	0		IGAARO
CCOc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040742331	520716564	/nfs/dbraw/zinc/71/65/64/520716564.db2.gz	XQKAEXGVAHGNEU-UHFFFAOYSA-N	1	0	436.936	3.163	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C2)CC1	ZINC000020538748	520959254	/nfs/dbraw/zinc/95/92/54/520959254.db2.gz	FTMWWCLVAOJTSB-RUZDIDTESA-N	1	0	440.632	3.383	50	0		IGAARO
CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3nc(-c4ccc(OC)cc4)no3)cc2)CC1	ZINC000020516060	521688026	/nfs/dbraw/zinc/68/80/26/521688026.db2.gz	OQHVSOICHDCRCX-UHFFFAOYSA-N	1	0	435.528	3.064	50	0		IGAARO
C[NH+](C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1	ZINC000021864528	521756752	/nfs/dbraw/zinc/75/67/52/521756752.db2.gz	SDYMFHQLNDKHES-XMMPIXPASA-N	1	0	426.561	3.363	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1	ZINC000012678517	522007186	/nfs/dbraw/zinc/00/71/86/522007186.db2.gz	UHIBURWNOXWVNJ-ZGSOLVRCSA-N	1	0	441.597	3.118	50	0		IGAARO
CCc1nc(C)c(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)[nH]1	ZINC000012317490	522202583	/nfs/dbraw/zinc/20/25/83/522202583.db2.gz	AAERKUCTUMAOFQ-UHFFFAOYSA-N	1	0	448.011	3.269	50	0		IGAARO
COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012595154	522354035	/nfs/dbraw/zinc/35/40/35/522354035.db2.gz	WKHVKHPPQHZWPR-QHCPKHFHSA-N	1	0	444.620	3.373	50	0		IGAARO
COc1cc(C[NH+]2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1	ZINC000012100039	522369950	/nfs/dbraw/zinc/36/99/50/522369950.db2.gz	FTRNQFGMMUEVCY-RUZDIDTESA-N	1	0	437.540	3.127	50	0		IGAARO
COc1cc(OC)c2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1	ZINC000012296837	522836564	/nfs/dbraw/zinc/83/65/64/522836564.db2.gz	OJLYAZGEIVHZTR-QFBILLFUSA-N	1	0	428.529	3.042	50	0		IGAARO
COc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2C2CC[NH2+]CC2)cc1	ZINC000020941061	523349446	/nfs/dbraw/zinc/34/94/46/523349446.db2.gz	LIGGJYRJWFGECF-UHFFFAOYSA-N	1	0	445.567	3.310	50	0		IGAARO
COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1	ZINC000012594797	523406192	/nfs/dbraw/zinc/40/61/92/523406192.db2.gz	YSCYMVPQCNMHRQ-GECPCNCSSA-N	1	0	430.570	3.408	50	0		IGAARO
CCc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC000020776764	523929509	/nfs/dbraw/zinc/92/95/09/523929509.db2.gz	NACKFEXJLPMQNU-IBGZPJMESA-N	1	0	433.556	3.155	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC000012191063	524039503	/nfs/dbraw/zinc/03/95/03/524039503.db2.gz	NICSADFYWDWIQD-LJQANCHMSA-N	1	0	433.556	3.155	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O	ZINC000035374831	524101860	/nfs/dbraw/zinc/10/18/60/524101860.db2.gz	NFUYBWUCBXFITH-QGZVFWFLSA-N	1	0	443.979	3.321	50	0		IGAARO
COc1ccc(Cc2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)cc1OC	ZINC000020453470	524170299	/nfs/dbraw/zinc/17/02/99/524170299.db2.gz	FPERDVXBFUMNAE-JOCHJYFZSA-N	1	0	448.567	3.353	50	0		IGAARO
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c1	ZINC000012904746	524781493	/nfs/dbraw/zinc/78/14/93/524781493.db2.gz	CVXPAUDIQHREOW-GOSISDBHSA-N	1	0	445.585	3.116	50	0		IGAARO
C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]2C(=O)NCCc2nc3ccccc3n2C)CC1	ZINC000012151134	524925199	/nfs/dbraw/zinc/92/51/99/524925199.db2.gz	BJHGOCISGGDAHP-FPOVZHCZSA-N	1	0	431.584	3.360	50	0		IGAARO
Cc1ccccc1-c1cccc(C[NH+]2CCC(n3cc(C(=O)NCCCO)nn3)CC2)c1	ZINC000012150510	525005136	/nfs/dbraw/zinc/00/51/36/525005136.db2.gz	GKIUELHDMBFDHV-UHFFFAOYSA-N	1	0	433.556	3.203	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)[NH+](C)C)cc1	ZINC000012804997	525358257	/nfs/dbraw/zinc/35/82/57/525358257.db2.gz	NYTAGLIDDRBBEU-QHCPKHFHSA-N	1	0	442.519	3.427	50	0		IGAARO
Cc1cccn2c(CN3CCC([NH+]4CCSCC4)CC3)c(C(=O)N3CCCCC3)nc12	ZINC000020534134	525462004	/nfs/dbraw/zinc/46/20/04/525462004.db2.gz	WGAODUYWQOZDJC-UHFFFAOYSA-N	1	0	441.645	3.282	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)c(C)c1	ZINC000012787822	525517513	/nfs/dbraw/zinc/51/75/13/525517513.db2.gz	FEVJDQPLLDEOHD-UHFFFAOYSA-N	1	0	435.634	3.085	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)cc1C	ZINC000012760560	525518725	/nfs/dbraw/zinc/51/87/25/525518725.db2.gz	CILKAOBBELNTPG-UHFFFAOYSA-N	1	0	435.634	3.085	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[NH+]4CCCC4)CC3)[nH]c2c1	ZINC000035561996	525620993	/nfs/dbraw/zinc/62/09/93/525620993.db2.gz	RSPAVIBWGHLNLZ-UHFFFAOYSA-N	1	0	426.561	3.021	50	0		IGAARO
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000020938459	525661457	/nfs/dbraw/zinc/66/14/57/525661457.db2.gz	XEAWZCLKUMNAEM-UHFFFAOYSA-N	1	0	435.572	3.219	50	0		IGAARO
Cc1c(Cl)cccc1N1C(=O)c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C1=O	ZINC000020533201	525759787	/nfs/dbraw/zinc/75/97/87/525759787.db2.gz	XCXVJIIAJJSCTR-CAPFRKAQSA-N	1	0	439.943	3.488	50	0		IGAARO
C[C@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000035459847	526048502	/nfs/dbraw/zinc/04/85/02/526048502.db2.gz	UEMWTYWHTUREFA-HNNXBMFYSA-N	1	0	448.054	3.040	50	0		IGAARO
COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C3CC[NH+](C(C)C)CC3)C2)c1	ZINC000014745713	526056369	/nfs/dbraw/zinc/05/63/69/526056369.db2.gz	XTZFCSSCLNQCLR-DEOSSOPVSA-N	1	0	431.621	3.253	50	0		IGAARO
Cc1ccc2[nH]c3c(ncn(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3=O)c2c1	ZINC000035423964	526110822	/nfs/dbraw/zinc/11/08/22/526110822.db2.gz	WSYATMLUPXPCBM-UHFFFAOYSA-N	1	0	443.551	3.357	50	0		IGAARO
COc1cccc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2=O)c1	ZINC000012875792	526160937	/nfs/dbraw/zinc/16/09/37/526160937.db2.gz	GEJHUYMWWJNREM-SFHVURJKSA-N	1	0	441.959	3.482	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21	ZINC000012514497	526248195	/nfs/dbraw/zinc/24/81/95/526248195.db2.gz	SZNAUUJLMQSIPN-KRWDZBQOSA-N	1	0	432.590	3.162	50	0		IGAARO
O=C(CCCn1cncn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012746938	526472793	/nfs/dbraw/zinc/47/27/93/526472793.db2.gz	XAXNOWQDJLNFLS-QFIPXVFZSA-N	1	0	443.567	3.117	50	0		IGAARO
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1cccn1C)N1CC[NH+](C)CC1	ZINC000021152730	526849030	/nfs/dbraw/zinc/84/90/30/526849030.db2.gz	YPDVGQSLCKMKCZ-FQEVSTJZSA-N	1	0	441.963	3.360	50	0		IGAARO
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C3CCOCC3)CC2)N1Cc1ccccc1	ZINC000014539178	527039370	/nfs/dbraw/zinc/03/93/70/527039370.db2.gz	KRLRVPMKEOHVMX-UHFFFAOYSA-N	1	0	434.540	3.060	50	0		IGAARO
O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)NCC[NH+]1CCCCC1	ZINC000020565296	527235309	/nfs/dbraw/zinc/23/53/09/527235309.db2.gz	TXAHMBOEMMGCKQ-UHFFFAOYSA-N	1	0	439.585	3.370	50	0		IGAARO
O=C(NC1CCCCC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020773959	527511911	/nfs/dbraw/zinc/51/19/11/527511911.db2.gz	BUCGNSXNSRBJAO-OAQYLSRUSA-N	1	0	428.577	3.040	50	0		IGAARO
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NCCCC[NH3+]	ZINC000002407065	534943759	/nfs/dbraw/zinc/94/37/59/534943759.db2.gz	FUQMRWXNFNVYQE-UHFFFAOYSA-N	1	0	442.589	3.078	50	0		IGAARO
OCC[NH2+]C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC000002070798	555734841	/nfs/dbraw/zinc/73/48/41/555734841.db2.gz	OXGQUYAYFRUDHS-ZDUSSCGKSA-N	1	0	442.151	3.262	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)[C@@H](C)CO3)CC1	ZINC000046159057	555798097	/nfs/dbraw/zinc/79/80/97/555798097.db2.gz	QSMOJRSXTBXZLA-NRFANRHFSA-N	1	0	436.600	3.150	50	0		IGAARO
CC(C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1	ZINC000034682260	555816093	/nfs/dbraw/zinc/81/60/93/555816093.db2.gz	GQEBOQIREJVUIM-SRLUVNLFSA-N	1	0	438.572	3.032	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000034685354	555820971	/nfs/dbraw/zinc/82/09/71/555820971.db2.gz	CHIMNFZGCJNCGA-UHFFFAOYSA-N	1	0	448.036	3.334	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C	ZINC000034830263	555911762	/nfs/dbraw/zinc/91/17/62/555911762.db2.gz	JPBSWCCJEULJAV-KOSHJBKYSA-N	1	0	425.598	3.473	50	0		IGAARO
CC1CCC2(CC1)OC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)N2C(=O)c1ccc(F)cc1	ZINC000034920343	555931183	/nfs/dbraw/zinc/93/11/83/555931183.db2.gz	QLPCBLWXQZZIOW-SSSUMRQXSA-N	1	0	431.552	3.126	50	0		IGAARO
COc1cccc(-c2cc(C(=O)N(CCC(=O)NCC[NH+]3CCCC3)CC(C)C)no2)c1	ZINC000034922630	555932943	/nfs/dbraw/zinc/93/29/43/555932943.db2.gz	VUWWOWAILBWLRF-UHFFFAOYSA-N	1	0	442.560	3.051	50	0		IGAARO
CN(C(=O)CC[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000011662704	556343967	/nfs/dbraw/zinc/34/39/67/556343967.db2.gz	WFURYAAQCULXPC-HXUWFJFHSA-N	1	0	427.589	3.221	50	0		IGAARO
Cc1cccn2c(C[NH2+]CCN3CCCCC3=O)c(C(=O)N(C)CCc3ccccc3)nc12	ZINC000011663737	556344668	/nfs/dbraw/zinc/34/46/68/556344668.db2.gz	YZMCMGILMULKRU-UHFFFAOYSA-N	1	0	447.583	3.060	50	0		IGAARO
COc1ccc(CN(C)Cc2nc3ccccc3[nH]2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000011664569	556345103	/nfs/dbraw/zinc/34/51/03/556345103.db2.gz	MBFNWWLKOYYCLV-FQEVSTJZSA-N	1	0	438.572	3.429	50	0		IGAARO
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2)C1	ZINC000032781266	556349364	/nfs/dbraw/zinc/34/93/64/556349364.db2.gz	GZQCLGVCFDRLAR-AVRDEDQJSA-N	1	0	429.586	3.140	50	0		IGAARO
C[C@H](Cc1ccc(O)cc1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000011817668	556360003	/nfs/dbraw/zinc/36/00/03/556360003.db2.gz	HCEQSUJHFUAORF-HXUWFJFHSA-N	1	0	436.600	3.211	50	0		IGAARO
C[C@@H](Cc1ccc(O)cc1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000011817667	556360031	/nfs/dbraw/zinc/36/00/31/556360031.db2.gz	HCEQSUJHFUAORF-FQEVSTJZSA-N	1	0	436.600	3.211	50	0		IGAARO
COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H]1CC(C(C)C)=NO1	ZINC000011844255	556367180	/nfs/dbraw/zinc/36/71/80/556367180.db2.gz	WZOAJJMQJRZVJP-HSZRJFAPSA-N	1	0	431.577	3.183	50	0		IGAARO
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2	ZINC000014535077	556422726	/nfs/dbraw/zinc/42/27/26/556422726.db2.gz	CIWXQGGLBDFPFO-JOCHJYFZSA-N	1	0	429.568	3.093	50	0		IGAARO
COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2	ZINC000014539179	556424599	/nfs/dbraw/zinc/42/45/99/556424599.db2.gz	ZGQHXTRMXBNRMW-UHFFFAOYSA-N	1	0	431.920	3.475	50	0		IGAARO
Cc1ccc(F)cc1C[NH2+][C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1	ZINC000014543454	556426453	/nfs/dbraw/zinc/42/64/53/556426453.db2.gz	RGQVSISNVHWFJX-FQEVSTJZSA-N	1	0	428.552	3.106	50	0		IGAARO
COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cccs1)CC2	ZINC000014733124	556437509	/nfs/dbraw/zinc/43/75/09/556437509.db2.gz	SNLZXWSUQUIAJV-UHFFFAOYSA-N	1	0	442.585	3.021	50	0		IGAARO
CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21	ZINC000022936124	556438058	/nfs/dbraw/zinc/43/80/58/556438058.db2.gz	WMXYPLFWIHAVNA-UHFFFAOYSA-N	1	0	437.544	3.073	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014742130	556439111	/nfs/dbraw/zinc/43/91/11/556439111.db2.gz	RQGRFBCMIGBMGX-IBGZPJMESA-N	1	0	430.980	3.312	50	0		IGAARO
CCc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	ZINC000014881747	556453915	/nfs/dbraw/zinc/45/39/15/556453915.db2.gz	KIJDPPWAZCKQKT-QHCPKHFHSA-N	1	0	432.572	3.421	50	0		IGAARO
CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2c(OC)cccc2OC)cc1OC	ZINC000014976258	556468946	/nfs/dbraw/zinc/46/89/46/556468946.db2.gz	VCHQTZNEARYUDF-IBGZPJMESA-N	1	0	432.561	3.084	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1	ZINC000014976575	556468982	/nfs/dbraw/zinc/46/89/82/556468982.db2.gz	XLGDSXDFEWWTMV-HXUWFJFHSA-N	1	0	442.604	3.050	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)NCc2ccnc(N3CCOCC3)c2)c2cccs2)CC1	ZINC000029323694	556472328	/nfs/dbraw/zinc/47/23/28/556472328.db2.gz	BQYKCJUOFIPLPF-FQEVSTJZSA-N	1	0	443.617	3.252	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1	ZINC000014995175	556477603	/nfs/dbraw/zinc/47/76/03/556477603.db2.gz	ASTCAJVHGLJQCC-FQEVSTJZSA-N	1	0	430.556	3.293	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)cc2)CC1	ZINC000029798838	556483115	/nfs/dbraw/zinc/48/31/15/556483115.db2.gz	QUJNYHGOUUOLLR-UHFFFAOYSA-N	1	0	439.585	3.246	50	0		IGAARO
COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000015071494	556496409	/nfs/dbraw/zinc/49/64/09/556496409.db2.gz	QNOWXKDPWPNRDU-JOCHJYFZSA-N	1	0	430.593	3.065	50	0		IGAARO
O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000030556308	556497676	/nfs/dbraw/zinc/49/76/76/556497676.db2.gz	RNJZPWIZJOQYQJ-UHFFFAOYSA-N	1	0	444.373	3.481	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O	ZINC000013550175	556514919	/nfs/dbraw/zinc/51/49/19/556514919.db2.gz	KKQMJJLROBQJSM-SFHVURJKSA-N	1	0	436.508	3.448	50	0		IGAARO
CSc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1	ZINC000072308422	556566568	/nfs/dbraw/zinc/56/65/68/556566568.db2.gz	YYPAOGYLXJWDAE-LJQANCHMSA-N	1	0	442.629	3.498	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000016024785	556576253	/nfs/dbraw/zinc/57/62/53/556576253.db2.gz	WXLRQONPYAAKCJ-AIDSWVIKSA-N	1	0	437.927	3.102	50	0		IGAARO
OCC[NH2+]CCNCc1cc(Br)ccc1OCc1c(F)cccc1Cl	ZINC000040720409	556646210	/nfs/dbraw/zinc/64/62/10/556646210.db2.gz	XWLQIVXKMLRSHF-UHFFFAOYSA-N	1	0	431.733	3.492	50	0		IGAARO
Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCc4ccccc4F)cc3)cc2n(C)c1=O	ZINC000040721208	556647172	/nfs/dbraw/zinc/64/71/72/556647172.db2.gz	JUSDBBPVEFVTEX-RUZDIDTESA-N	1	0	449.526	3.461	50	0		IGAARO
Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)cc12	ZINC000032922048	556647371	/nfs/dbraw/zinc/64/73/71/556647371.db2.gz	XZUSVFACOXWVFX-KRWDZBQOSA-N	1	0	426.524	3.301	50	0		IGAARO
O=C1C[C@@H]([NH2+]C2CCN(c3ncc(Cl)cc3Cl)CC2)C(=O)N1c1ccc(F)cc1	ZINC000018144341	556684977	/nfs/dbraw/zinc/68/49/77/556684977.db2.gz	BMSCKVPKDKRVPK-QGZVFWFLSA-N	1	0	437.302	3.418	50	0		IGAARO
CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1	ZINC000033033983	556715538	/nfs/dbraw/zinc/71/55/38/556715538.db2.gz	KTPIWGDILZDSEM-SFHVURJKSA-N	1	0	444.601	3.042	50	0		IGAARO
CC[NH+](CC)CC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055061066	556733657	/nfs/dbraw/zinc/73/36/57/556733657.db2.gz	CAOBXIRMXXWLML-HXUWFJFHSA-N	1	0	426.527	3.160	50	0		IGAARO
NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)C1	ZINC000078720383	556735265	/nfs/dbraw/zinc/73/52/65/556735265.db2.gz	SNUBGPLTFNXMPJ-FQEVSTJZSA-N	1	0	447.539	3.395	50	0		IGAARO
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055183099	556737370	/nfs/dbraw/zinc/73/73/70/556737370.db2.gz	MTMMDFZGAYMWAZ-OAQYLSRUSA-N	1	0	425.504	3.024	50	0		IGAARO
Cc1ccn(CC(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1	ZINC000055308750	556739714	/nfs/dbraw/zinc/73/97/14/556739714.db2.gz	QSMWYOACRZGQHO-FQEVSTJZSA-N	1	0	435.494	3.024	50	0		IGAARO
Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048238	556744194	/nfs/dbraw/zinc/74/41/94/556744194.db2.gz	CZZVLCWTJHTLMW-UHFFFAOYSA-N	1	0	429.977	3.377	50	0		IGAARO
CC[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000058144359	556761429	/nfs/dbraw/zinc/76/14/29/556761429.db2.gz	GCTMYXVBEVNCCE-LADGPHEKSA-N	1	0	435.616	3.278	50	0		IGAARO
CCOc1ccc(OCCNC(=O)C[N@H+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1	ZINC000058175143	556769073	/nfs/dbraw/zinc/76/90/73/556769073.db2.gz	KDMJVILYBPJFME-UHFFFAOYSA-N	1	0	442.556	3.092	50	0		IGAARO
COc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C(=O)N2CCCC2)cc1OC	ZINC000058224761	556773507	/nfs/dbraw/zinc/77/35/07/556773507.db2.gz	JTLQKUAUTSSTJQ-QGZVFWFLSA-N	1	0	446.573	3.426	50	0		IGAARO
C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000058434766	556788141	/nfs/dbraw/zinc/78/81/41/556788141.db2.gz	QEGALPRRMDKWHL-KSZLIROESA-N	1	0	438.638	3.054	50	0		IGAARO
O=C(CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1	ZINC000067789875	556846684	/nfs/dbraw/zinc/84/66/84/556846684.db2.gz	APOAINWQWNIOEO-OAQYLSRUSA-N	1	0	434.584	3.358	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@H+](C)Cc4ccccc4)C3)n2)cc1	ZINC000033249503	556889346	/nfs/dbraw/zinc/88/93/46/556889346.db2.gz	RSXBUYYUFDIUSW-OAQYLSRUSA-N	1	0	449.555	3.210	50	0		IGAARO
O=C(CCc1nnc(CCc2ccccc2)o1)NCC1([NH+]2CCOCC2)CCCCCC1	ZINC000019744015	556889390	/nfs/dbraw/zinc/88/93/90/556889390.db2.gz	AWURYBCDUFLMBN-UHFFFAOYSA-N	1	0	440.588	3.329	50	0		IGAARO
COc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1	ZINC000020119242	556987553	/nfs/dbraw/zinc/98/75/53/556987553.db2.gz	LRVCLHASEWZTEJ-NRFANRHFSA-N	1	0	425.573	3.499	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cc(C(=O)OC)ccn2)CC1	ZINC000097109208	556990085	/nfs/dbraw/zinc/99/00/85/556990085.db2.gz	WAUMOFPRGZNDFV-HNNXBMFYSA-N	1	0	429.496	3.032	50	0		IGAARO
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1	ZINC000097165577	556994809	/nfs/dbraw/zinc/99/48/09/556994809.db2.gz	JOYHCELMEHETOB-HZPDHXFCSA-N	1	0	448.955	3.285	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1	ZINC000020209174	556998298	/nfs/dbraw/zinc/99/82/98/556998298.db2.gz	VEKIIDFLXAIXRA-QHCPKHFHSA-N	1	0	439.604	3.010	50	0		IGAARO
O=C1NC2(CCCCC2)C(=O)N1CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000023257168	557079529	/nfs/dbraw/zinc/07/95/29/557079529.db2.gz	CEEFILADUBJPHI-UHFFFAOYSA-N	1	0	438.494	3.425	50	0		IGAARO
CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)CC1	ZINC000033308644	557089510	/nfs/dbraw/zinc/08/95/10/557089510.db2.gz	BRVSYSRTUSCOOZ-OAQYLSRUSA-N	1	0	448.567	3.154	50	0		IGAARO
CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)CC1	ZINC000033308616	557089533	/nfs/dbraw/zinc/08/95/33/557089533.db2.gz	KKPRZPVGMAIYMF-OAQYLSRUSA-N	1	0	448.567	3.092	50	0		IGAARO
Cn1c(CCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nc2ccccc2c1=O	ZINC000023873435	557122380	/nfs/dbraw/zinc/12/23/80/557122380.db2.gz	DAPFCQNBFFYZON-UHFFFAOYSA-N	1	0	440.547	3.364	50	0		IGAARO
C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(=O)NCC(F)(F)F)cc1	ZINC000027299521	557259676	/nfs/dbraw/zinc/25/96/76/557259676.db2.gz	XHFKNXVRJYQGMX-UHFFFAOYSA-N	1	0	433.430	3.097	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](C)O	ZINC000105002840	557470266	/nfs/dbraw/zinc/47/02/66/557470266.db2.gz	YTPLKSFBDOCQGF-SIKLNZKXSA-N	1	0	446.613	3.281	50	0		IGAARO
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000225615046	557752644	/nfs/dbraw/zinc/75/26/44/557752644.db2.gz	YBVPPAKNYCYABQ-NYVOZVTQSA-N	1	0	445.604	3.447	50	0		IGAARO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COCCOc1ccc(Br)cc1	ZINC000002082544	562925756	/nfs/dbraw/zinc/92/57/56/562925756.db2.gz	OKFKOFUEXTUYIG-QGZVFWFLSA-N	1	0	430.383	3.219	50	0		IGAARO
C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C2=O	ZINC000003417341	562935445	/nfs/dbraw/zinc/93/54/45/562935445.db2.gz	RNIRNQSBSOEUSI-GGUMNFRJSA-N	1	0	444.576	3.060	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1	ZINC000009583789	562973555	/nfs/dbraw/zinc/97/35/55/562973555.db2.gz	RCJCTDFJMKIKQX-OAQYLSRUSA-N	1	0	429.948	3.422	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(F)c(F)c3)nc1=O)CCC2	ZINC000009745693	562976529	/nfs/dbraw/zinc/97/65/29/562976529.db2.gz	ZQGGQFGMKPVGLS-UHFFFAOYSA-N	1	0	436.528	3.083	50	0		IGAARO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000009823699	562977268	/nfs/dbraw/zinc/97/72/68/562977268.db2.gz	BLSWYRJLVNCNSI-FQEVSTJZSA-N	1	0	431.558	3.021	50	0		IGAARO
COc1ccccc1OCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055212089	563142466	/nfs/dbraw/zinc/14/24/66/563142466.db2.gz	LSGDOQOEJKBRDJ-NRFANRHFSA-N	1	0	427.520	3.026	50	0		IGAARO
Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1	ZINC000253612879	568644042	/nfs/dbraw/zinc/64/40/42/568644042.db2.gz	CNBJXBRCFXTFFD-OAQYLSRUSA-N	1	0	431.584	3.443	50	0		IGAARO
Clc1ccccc1Cn1nc(C[NH2+]CCCN2CCOCC2)c(-c2ccccc2)n1	ZINC000261491753	568734346	/nfs/dbraw/zinc/73/43/46/568734346.db2.gz	HJIIZPRVMSEJNW-UHFFFAOYSA-N	1	0	425.964	3.459	50	0		IGAARO
OCC[NH2+]CCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	ZINC000261492389	568734723	/nfs/dbraw/zinc/73/47/23/568734723.db2.gz	WVXZXHHNIULEIK-UHFFFAOYSA-N	1	0	434.371	3.362	50	0		IGAARO
CCOCCCN1C(=O)CC[C@@H]2C[N@H+](C3CCN(CCc4ccccc4)CC3)CC[C@@H]21	ZINC000299769408	568756669	/nfs/dbraw/zinc/75/66/69/568756669.db2.gz	XLDKZOBRHLUBKZ-NOZRDPDXSA-N	1	0	427.633	3.433	50	0		IGAARO
Cc1ccc(C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c2ccccn2)cc1	ZINC000084148776	568795240	/nfs/dbraw/zinc/79/52/40/568795240.db2.gz	IWRNQURESMBARK-QFIPXVFZSA-N	1	0	426.480	3.009	50	0		IGAARO
C[C@H]1CSc2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2NC1=O	ZINC000015730778	568814063	/nfs/dbraw/zinc/81/40/63/568814063.db2.gz	KBXJCNUKVIHMBM-INIZCTEOSA-N	1	0	445.610	3.310	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(Cc2ccncc2)c(=O)c2ccccc12	ZINC000085880025	568839188	/nfs/dbraw/zinc/83/91/88/568839188.db2.gz	CFQFQGVMWIOBBI-GBXCKJPGSA-N	1	0	430.552	3.439	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229899554	568887128	/nfs/dbraw/zinc/88/71/28/568887128.db2.gz	IVNFQVHFWRUKIF-FBAVSBLXSA-N	1	0	442.302	3.425	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2	ZINC000241160546	568912195	/nfs/dbraw/zinc/91/21/95/568912195.db2.gz	JYCNNEDJSSRMJR-OTPAQWSUSA-N	1	0	427.541	3.208	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1Cl	ZINC000241775885	568912421	/nfs/dbraw/zinc/91/24/21/568912421.db2.gz	RPXLVACPMLQZDZ-MBOZVWFJSA-N	1	0	433.980	3.404	50	0		IGAARO
C[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1	ZINC000245328677	568915023	/nfs/dbraw/zinc/91/50/23/568915023.db2.gz	WHHQPCWENOZRQK-XMSQKQJNSA-N	1	0	442.878	3.265	50	0		IGAARO
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000089478417	568926517	/nfs/dbraw/zinc/92/65/17/568926517.db2.gz	YDSBGJOVIVWEAV-CDXJDZJCSA-N	1	0	447.373	3.216	50	0		IGAARO
C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1	ZINC000036068691	568945230	/nfs/dbraw/zinc/94/52/30/568945230.db2.gz	WTVFEFRFGLZOSS-UHFFFAOYSA-N	1	0	428.483	3.447	50	0		IGAARO
CC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064839446	568969770	/nfs/dbraw/zinc/96/97/70/568969770.db2.gz	KBJCMQXGHVDIOJ-OAQYLSRUSA-N	1	0	431.540	3.088	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C	ZINC000169677094	568989483	/nfs/dbraw/zinc/98/94/83/568989483.db2.gz	VSEKJQQFJQWMRJ-QMHKHESXSA-N	1	0	429.561	3.304	50	0		IGAARO
CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc3)ccc21	ZINC000065026931	569090015	/nfs/dbraw/zinc/09/00/15/569090015.db2.gz	PBBZREWSHDJXPD-UHFFFAOYSA-N	1	0	448.611	3.266	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153563	569111990	/nfs/dbraw/zinc/11/19/90/569111990.db2.gz	LJYGEBLAPDEJMY-UHFFFAOYSA-N	1	0	444.579	3.113	50	0		IGAARO
Cn1cc(CC[NH+]2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c2cccnc21	ZINC000065164967	569112947	/nfs/dbraw/zinc/11/29/47/569112947.db2.gz	SKHYTZAIVZTBAD-UHFFFAOYSA-N	1	0	449.574	3.316	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cncnc2N2CCCC2)CC1	ZINC000065226300	569117900	/nfs/dbraw/zinc/11/79/00/569117900.db2.gz	JADACJQOPPVAOI-UHFFFAOYSA-N	1	0	448.615	3.074	50	0		IGAARO
CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)C2)ncn1	ZINC000065245130	569121620	/nfs/dbraw/zinc/12/16/20/569121620.db2.gz	IFKLEHNDHLMXJJ-NHCUHLMSSA-N	1	0	428.625	3.239	50	0		IGAARO
COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)c(OC)c1	ZINC000065256262	569123113	/nfs/dbraw/zinc/12/31/13/569123113.db2.gz	CXZHCBCYHGSFKE-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
Cn1c(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)nc2ccccc21	ZINC000065256018	569123179	/nfs/dbraw/zinc/12/31/79/569123179.db2.gz	IOPUUFGLFFMLBG-OAQYLSRUSA-N	1	0	426.524	3.049	50	0		IGAARO
O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCC[N@@H+]1CCc2ccccc2C1	ZINC000065274297	569128360	/nfs/dbraw/zinc/12/83/60/569128360.db2.gz	XWWNNGHXDKENNH-UHFFFAOYSA-N	1	0	448.615	3.222	50	0		IGAARO
C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170601567	569142932	/nfs/dbraw/zinc/14/29/32/569142932.db2.gz	JZMPUYMAOIIEAE-NHCUHLMSSA-N	1	0	436.641	3.042	50	0		IGAARO
Cc1nc(C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1C(C)C	ZINC000170601445	569143013	/nfs/dbraw/zinc/14/30/13/569143013.db2.gz	SPJMWKZMHKXNQA-SANMLTNESA-N	1	0	447.583	3.408	50	0		IGAARO
CC(=O)N1CCN(C(=O)C[N@@H+](CC(C)C)C(C)(C)c2ccc(Br)cc2)CC1	ZINC000170601222	569143094	/nfs/dbraw/zinc/14/30/94/569143094.db2.gz	FIHIJDKSHDXGCA-UHFFFAOYSA-N	1	0	438.410	3.333	50	0		IGAARO
NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1	ZINC000170617467	569147245	/nfs/dbraw/zinc/14/72/45/569147245.db2.gz	SITMPWMDPRKWTH-MRXNPFEDSA-N	1	0	439.940	3.118	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12	ZINC000249696496	569155384	/nfs/dbraw/zinc/15/53/84/569155384.db2.gz	SPGLMFFCGIPHHR-XHOYROJHSA-N	1	0	435.911	3.186	50	0		IGAARO
Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCc1ccccc1C	ZINC000089689358	569161375	/nfs/dbraw/zinc/16/13/75/569161375.db2.gz	HKCXBSPSJVYGCP-JOCHJYFZSA-N	1	0	431.540	3.202	50	0		IGAARO
COc1cc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc(OC)c1OC	ZINC000002087566	569178377	/nfs/dbraw/zinc/17/83/77/569178377.db2.gz	RCDNTQATRIHUQX-JKSUJKDBSA-N	1	0	431.485	3.102	50	0		IGAARO
C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000252444014	569183763	/nfs/dbraw/zinc/18/37/63/569183763.db2.gz	PHCBHOTWWSPYPF-CJNGLKHVSA-N	1	0	441.553	3.271	50	0		IGAARO
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000252537988	569190204	/nfs/dbraw/zinc/19/02/04/569190204.db2.gz	MMQQPBNERVFTQM-IHPCNDPISA-N	1	0	446.979	3.126	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000037523711	569198684	/nfs/dbraw/zinc/19/86/84/569198684.db2.gz	GPHXXHAXWKQFBV-VWNXMTODSA-N	1	0	428.548	3.471	50	0		IGAARO
CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1	ZINC000581820123	569211787	/nfs/dbraw/zinc/21/17/87/569211787.db2.gz	SRTDKZJYQCYNLK-DEOSSOPVSA-N	1	0	427.633	3.433	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1c1cccc(OC)c1)C(C)=O	ZINC000253388878	569264288	/nfs/dbraw/zinc/26/42/88/569264288.db2.gz	UUXWJLWDEHYVND-RDGATRHJSA-N	1	0	426.557	3.414	50	0		IGAARO
CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H]([NH3+])C4)cc(OC)c3n2C)cc2cccnc21	ZINC000208156660	569297333	/nfs/dbraw/zinc/29/73/33/569297333.db2.gz	JCCVZBCVMBEDEN-QGZVFWFLSA-N	1	0	432.528	3.182	50	0	in-vitro	IGAARO
C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012993067	569306120	/nfs/dbraw/zinc/30/61/20/569306120.db2.gz	PKVOEEXKIPGPGV-KRWDZBQOSA-N	1	0	435.524	3.039	50	0		IGAARO
CNC(=O)C1([NH2+]CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CCCCC1	ZINC000079023281	569322652	/nfs/dbraw/zinc/32/26/52/569322652.db2.gz	HUZUZRXLCMWNAI-UHFFFAOYSA-N	1	0	443.569	3.091	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCc2nc3cc(Br)cnc3[nH]2)[NH+](C)C)cc1	ZINC000079495708	569331552	/nfs/dbraw/zinc/33/15/52/569331552.db2.gz	MBSGNCXEMCXITN-KRWDZBQOSA-N	1	0	446.349	3.081	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12	ZINC000020136049	569335671	/nfs/dbraw/zinc/33/56/71/569335671.db2.gz	OIDGNQZISQKYHH-UHFFFAOYSA-N	1	0	437.588	3.463	50	0		IGAARO
CCN1c2cc(C(=O)NCC[NH+]3CCCCCC3)ccc2[S@](=O)c2ccccc2C1=O	ZINC000020242919	569358283	/nfs/dbraw/zinc/35/82/83/569358283.db2.gz	SNPPBZBMJFDCSE-HKBQPEDESA-N	1	0	439.581	3.439	50	0		IGAARO
O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1	ZINC000095347334	569361469	/nfs/dbraw/zinc/36/14/69/569361469.db2.gz	CTXGKKUETYBDAM-UHFFFAOYSA-N	1	0	438.597	3.434	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)CC1	ZINC000020383737	569362781	/nfs/dbraw/zinc/36/27/81/569362781.db2.gz	QJNPDUQSFQEPNE-UHFFFAOYSA-N	1	0	443.661	3.273	50	0		IGAARO
CCCOc1ccc(NC(=O)NC(=O)C[NH+]2CCC(CC)(CO)CC2)cc1OCCC	ZINC000095449895	569367629	/nfs/dbraw/zinc/36/76/29/569367629.db2.gz	VAFVRMKDCISOTB-UHFFFAOYSA-N	1	0	435.565	3.397	50	0		IGAARO
COc1ccc([C@@H](C[NH+]2CCCC2)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1	ZINC000095468714	569371431	/nfs/dbraw/zinc/37/14/31/569371431.db2.gz	UKWLCIQPZQDYMC-JOCHJYFZSA-N	1	0	429.586	3.193	50	0		IGAARO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1	ZINC000095996215	569378771	/nfs/dbraw/zinc/37/87/71/569378771.db2.gz	CKNMMPZPWAKSTI-GFCCVEGCSA-N	1	0	441.395	3.293	50	0		IGAARO
Brc1ccc([C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ccco2)cc1	ZINC000095996266	569378815	/nfs/dbraw/zinc/37/88/15/569378815.db2.gz	AUXAODPUCOYIMH-LMNJBCLMSA-N	1	0	435.362	3.458	50	0		IGAARO
C[NH+]1CCC(CCNC(=O)/C=C\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	ZINC000096315827	569392737	/nfs/dbraw/zinc/39/27/37/569392737.db2.gz	HBRYCKKVEGIGHG-FLIBITNWSA-N	1	0	433.618	3.113	50	0		IGAARO
CC[N@@H+]1CCC[C@H](NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2OC)C1	ZINC000096579998	569401505	/nfs/dbraw/zinc/40/15/05/569401505.db2.gz	WPMGMASFWWCSLI-SFHVURJKSA-N	1	0	445.585	3.043	50	0		IGAARO
CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2OC)C1	ZINC000096580000	569401550	/nfs/dbraw/zinc/40/15/50/569401550.db2.gz	WPMGMASFWWCSLI-GOSISDBHSA-N	1	0	445.585	3.043	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000230006282	569417288	/nfs/dbraw/zinc/41/72/88/569417288.db2.gz	KYVZENSNHRAAHQ-XOTWJMMUSA-N	1	0	442.302	3.425	50	0		IGAARO
CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@H]1c1ccco1	ZINC000029143223	569427328	/nfs/dbraw/zinc/42/73/28/569427328.db2.gz	LEGXHMVHQGMJRP-IBGZPJMESA-N	1	0	433.892	3.115	50	0		IGAARO
CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc2c(c1)OCCCO2	ZINC000230128098	569438825	/nfs/dbraw/zinc/43/88/25/569438825.db2.gz	RSQXAORWXFWUKL-DFBJGRDBSA-N	1	0	440.588	3.349	50	0		IGAARO
Cc1ccccc1CN1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1	ZINC000058155196	569448904	/nfs/dbraw/zinc/44/89/04/569448904.db2.gz	CXAMPECQCZEPTM-UHFFFAOYSA-N	1	0	438.641	3.300	50	0		IGAARO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc(Br)c1	ZINC000058161582	569449221	/nfs/dbraw/zinc/44/92/21/569449221.db2.gz	SYHWHSVPRXXGOY-QGZVFWFLSA-N	1	0	429.330	3.468	50	0		IGAARO
O=C(CCOc1cccc(Br)c1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000069042876	569489410	/nfs/dbraw/zinc/48/94/10/569489410.db2.gz	RLHPQIGAIBRDJX-UHFFFAOYSA-N	1	0	425.367	3.369	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1	ZINC000040154254	569493734	/nfs/dbraw/zinc/49/37/34/569493734.db2.gz	PBROKNQRNLRGII-GHTZIAJQSA-N	1	0	447.626	3.115	50	0		IGAARO
COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cc1	ZINC000245279561	569502018	/nfs/dbraw/zinc/50/20/18/569502018.db2.gz	IDOCJHDKVFNTLU-DENIHFKCSA-N	1	0	431.529	3.133	50	0		IGAARO
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1	ZINC000245325628	569503577	/nfs/dbraw/zinc/50/35/77/569503577.db2.gz	BNIPEAZRNUJVST-FGCOXFRFSA-N	1	0	435.568	3.214	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)[NH+]2CCCCC2)cc1	ZINC000009463353	569537447	/nfs/dbraw/zinc/53/74/47/569537447.db2.gz	BLLXDKMEOIPCME-JOCHJYFZSA-N	1	0	430.570	3.197	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009477815	569539256	/nfs/dbraw/zinc/53/92/56/569539256.db2.gz	QICLWZMWMSKFMZ-UHFFFAOYSA-N	1	0	433.618	3.390	50	0		IGAARO
C[C@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12	ZINC000009667319	569557779	/nfs/dbraw/zinc/55/77/79/569557779.db2.gz	WVYMBFDQWVWNHZ-KOSHJBKYSA-N	1	0	430.552	3.324	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3F)nc1=O)CCC2	ZINC000009745605	569565636	/nfs/dbraw/zinc/56/56/36/569565636.db2.gz	ZSYARTMVFNGKMU-UHFFFAOYSA-N	1	0	436.528	3.083	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2	ZINC000009746126	569565734	/nfs/dbraw/zinc/56/57/34/569565734.db2.gz	GMGLKZWNNFEGTC-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc3sc(C)cc3n21	ZINC000009848625	569571234	/nfs/dbraw/zinc/57/12/34/569571234.db2.gz	GMWVIRPICOOFSA-HOTGVXAUSA-N	1	0	443.617	3.066	50	0		IGAARO
COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1	ZINC000010233104	569579397	/nfs/dbraw/zinc/57/93/97/569579397.db2.gz	CCHDODUMQOKFMV-OAQYLSRUSA-N	1	0	434.492	3.303	50	0		IGAARO
C[C@@H]1Cc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2N1S(C)(=O)=O	ZINC000010456866	569582393	/nfs/dbraw/zinc/58/23/93/569582393.db2.gz	KIZOQRNCGJJBMG-GOSISDBHSA-N	1	0	441.597	3.313	50	0		IGAARO
COc1ccc(O[C@H](C)C(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1	ZINC000077100906	569585458	/nfs/dbraw/zinc/58/54/58/569585458.db2.gz	DFKWXRABOUPEIL-LJQANCHMSA-N	1	0	447.539	3.213	50	0		IGAARO
O=C(COc1ccccc1Cl)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1	ZINC000077200561	569586402	/nfs/dbraw/zinc/58/64/02/569586402.db2.gz	WQXHFJDIKAWDRZ-UHFFFAOYSA-N	1	0	437.931	3.470	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2cccc(C)c2C)CC1	ZINC000004711722	132272997	/nfs/dbraw/zinc/27/29/97/132272997.db2.gz	ZLTQAZAUQPGPJR-UHFFFAOYSA-N	1	0	425.529	3.249	50	0		IGAARO
Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)[nH+]1	ZINC000017012397	132357101	/nfs/dbraw/zinc/35/71/01/132357101.db2.gz	ZIIJQGJPBDPIGY-UHFFFAOYSA-N	1	0	434.338	3.093	50	0		IGAARO
CC(=O)N1CCCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1	ZINC000012760134	519527573	/nfs/dbraw/zinc/52/75/73/519527573.db2.gz	OKVINDQSWCANTM-UHFFFAOYSA-N	1	0	449.595	3.467	50	0		IGAARO
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)C[NH+](C)C)c1=O	ZINC000012328532	519708696	/nfs/dbraw/zinc/70/86/96/519708696.db2.gz	GRNUUWVWXUKVDR-UHFFFAOYSA-N	1	0	432.609	3.009	50	0		IGAARO
CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2	ZINC000014539427	519719313	/nfs/dbraw/zinc/71/93/13/519719313.db2.gz	HJRBOLRIPVRINV-FQEVSTJZSA-N	1	0	430.618	3.275	50	0		IGAARO
CCOC[C@@H](O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1	ZINC000011843265	520101837	/nfs/dbraw/zinc/10/18/37/520101837.db2.gz	GRUYDEODRINIIX-KRWDZBQOSA-N	1	0	426.985	3.357	50	0		IGAARO
CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC(C)(C)[NH2+]1	ZINC000012859797	520283330	/nfs/dbraw/zinc/28/33/30/520283330.db2.gz	JHORZEHJVHQASN-UHFFFAOYSA-N	1	0	442.025	3.166	50	0		IGAARO
CCCC[N@H+](CC)CCCNC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O	ZINC000020847778	520476729	/nfs/dbraw/zinc/47/67/29/520476729.db2.gz	SNVFEHRNLUNPLQ-UHFFFAOYSA-N	1	0	445.951	3.333	50	0		IGAARO
CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1COC	ZINC000012453766	520640135	/nfs/dbraw/zinc/64/01/35/520640135.db2.gz	JUZWRNSSEDGDFY-UHFFFAOYSA-N	1	0	440.523	3.029	50	0		IGAARO
CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC	ZINC000014956090	520643342	/nfs/dbraw/zinc/64/33/42/520643342.db2.gz	SFQUFJKSJLOQPF-UHFFFAOYSA-N	1	0	442.589	3.341	50	0		IGAARO
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC[NH+](CC)CC3)cc2)cc1	ZINC000012552547	521130482	/nfs/dbraw/zinc/13/04/82/521130482.db2.gz	QQSODNPUHDJJQK-UHFFFAOYSA-N	1	0	431.558	3.100	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CC[N@@H+](C[C@H]1CC=CCC1)CC2	ZINC000012099373	522016291	/nfs/dbraw/zinc/01/62/91/522016291.db2.gz	IFIJDAUNYOLVQH-FQEVSTJZSA-N	1	0	447.579	3.270	50	0		IGAARO
COc1cc(CN(C)Cc2cn(C)nc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012595159	522354650	/nfs/dbraw/zinc/35/46/50/522354650.db2.gz	WKHVKHPPQHZWPR-HSZRJFAPSA-N	1	0	444.620	3.373	50	0		IGAARO
CCc1nccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2	ZINC000012442596	522583823	/nfs/dbraw/zinc/58/38/23/522583823.db2.gz	HZIFJVACRVWGST-DEOSSOPVSA-N	1	0	428.552	3.498	50	0		IGAARO
CO[C@@H]1CCCN(C(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)C1	ZINC000020537220	523585853	/nfs/dbraw/zinc/58/58/53/523585853.db2.gz	VCBXJUOATDFGLI-HXUWFJFHSA-N	1	0	426.561	3.146	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cccn3-c3ncccn3)C2)cc1OC	ZINC000020322410	523941075	/nfs/dbraw/zinc/94/10/75/523941075.db2.gz	CMQGASSUSPJRPI-NRFANRHFSA-N	1	0	435.572	3.423	50	0		IGAARO
CCc1ccc([C@@H](CNC(=O)CCc2c(C)nc3nc(SC)nn3c2C)[NH+](C)C)cc1	ZINC000012917237	524029337	/nfs/dbraw/zinc/02/93/37/524029337.db2.gz	HOGFIWQWDKOAKV-HXUWFJFHSA-N	1	0	440.617	3.377	50	0		IGAARO
CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN(C)CC[N@@H+]1CCc2ccccc2C1	ZINC000020863753	524031908	/nfs/dbraw/zinc/03/19/08/524031908.db2.gz	GGEZVGAPHZYPEV-UHFFFAOYSA-N	1	0	425.964	3.180	50	0		IGAARO
COc1ccc(Cc2noc(CN(C)CC3([NH+]4CCOCC4)CCCCC3)n2)cc1OC	ZINC000020539985	524170964	/nfs/dbraw/zinc/17/09/64/524170964.db2.gz	AYIYTQRDNBDFOW-UHFFFAOYSA-N	1	0	444.576	3.145	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1c2cc(C)cc1C	ZINC000012890175	524240868	/nfs/dbraw/zinc/24/08/68/524240868.db2.gz	YDGFOUOOZZAREW-FNPWNURISA-N	1	0	443.931	3.110	50	0		IGAARO
COc1ccc(N2C(=O)c3ccccc3/C(=C\NCC(C)(C)C[NH+](C)C)C2=O)cc1OC	ZINC000021360172	524398599	/nfs/dbraw/zinc/39/85/99/524398599.db2.gz	NQZQUQRNYHEBSM-XSFVSMFZSA-N	1	0	437.540	3.409	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCCN2CCCC2=O)c1	ZINC000012313859	524925449	/nfs/dbraw/zinc/92/54/49/524925449.db2.gz	BJMJUYPRTUZENF-UHFFFAOYSA-N	1	0	443.588	3.223	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)Cc2nonc2C)c1	ZINC000012835578	524926158	/nfs/dbraw/zinc/92/61/58/524926158.db2.gz	LOXICUFRDVDULK-UHFFFAOYSA-N	1	0	428.533	3.445	50	0		IGAARO
Cc1cc(O)c([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698171	525325427	/nfs/dbraw/zinc/32/54/27/525325427.db2.gz	GWXBQWUOKZRGCL-QFIPXVFZSA-N	1	0	427.932	3.494	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21	ZINC000020533212	525558017	/nfs/dbraw/zinc/55/80/17/525558017.db2.gz	BFMZDHYCAYZMNW-GEYWLOKFSA-N	1	0	447.988	3.065	50	0		IGAARO
Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)CC2)n1	ZINC000035454470	525664999	/nfs/dbraw/zinc/66/49/99/525664999.db2.gz	ZCDDAZKUHQZIAF-UHFFFAOYSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CC[NH+](C)CC2)cc1	ZINC000022582941	525760787	/nfs/dbraw/zinc/76/07/87/525760787.db2.gz	NLDSEXIUHVLCMN-OAQYLSRUSA-N	1	0	428.964	3.000	50	0		IGAARO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CC[NH+](C)CC2)cc1	ZINC000022582916	525953287	/nfs/dbraw/zinc/95/32/87/525953287.db2.gz	HORXOORQLZVXQB-NRFANRHFSA-N	1	0	428.964	3.000	50	0		IGAARO
COc1cccc(C[C@]2(C3CC[NH+](Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1	ZINC000012211407	526080988	/nfs/dbraw/zinc/08/09/88/526080988.db2.gz	IYSPNCWPZTYDII-XMMPIXPASA-N	1	0	443.494	3.349	50	0		IGAARO
Cc1ccc(C(=O)NCCC[NH+](C)C)c(C2CCN(C(=O)c3ccccc3F)CC2)n1	ZINC000034724423	526160481	/nfs/dbraw/zinc/16/04/81/526160481.db2.gz	GVEBJBSYPQEDIU-UHFFFAOYSA-N	1	0	426.536	3.230	50	0		IGAARO
Cc1nc(-c2cc3ccc(OCC(=O)NCC(C)(C)C[NH+](C)C)cc3oc2=O)cs1	ZINC000020715598	526563709	/nfs/dbraw/zinc/56/37/09/526563709.db2.gz	CDBIWPBSJLLUBB-UHFFFAOYSA-N	1	0	429.542	3.308	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCCCC1	ZINC000033062157	526662040	/nfs/dbraw/zinc/66/20/40/526662040.db2.gz	KZFNRPMZBQZCNL-UHFFFAOYSA-N	1	0	435.981	3.369	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1)N1CCC[C@@H](CO)C1	ZINC000011841438	526697869	/nfs/dbraw/zinc/69/78/69/526697869.db2.gz	IRBOLLSZIXLWKG-LJQANCHMSA-N	1	0	427.614	3.394	50	0		IGAARO
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(I)cc1	ZINC000022912826	526771494	/nfs/dbraw/zinc/77/14/94/526771494.db2.gz	DUVKHOFMHCUMNC-UHFFFAOYSA-N	1	0	449.336	3.090	50	0		IGAARO
O=C(c1n[nH]c2c1CCC2)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012433314	526911886	/nfs/dbraw/zinc/91/18/86/526911886.db2.gz	VIEBNOUFDSPFOL-QHCPKHFHSA-N	1	0	448.611	3.399	50	0		IGAARO
O=C1c2cccc(N3CC[NH+](CCCc4ccccc4)CC3)c2C(=O)N1C[C@@H]1CCCO1	ZINC000012727969	527126037	/nfs/dbraw/zinc/12/60/37/527126037.db2.gz	RAYUZAMPKHNJLD-NRFANRHFSA-N	1	0	433.552	3.216	50	0		IGAARO
O=S(=O)(c1cccc(-c2nnc(SCC[NH+]3CCCCC3)o2)c1)N1CCCCC1	ZINC000012691975	527283836	/nfs/dbraw/zinc/28/38/36/527283836.db2.gz	ITHAUHHTKWGQDH-UHFFFAOYSA-N	1	0	436.603	3.489	50	0		IGAARO
O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000012795885	527406352	/nfs/dbraw/zinc/40/63/52/527406352.db2.gz	HVBJCHQRZCSTAZ-UHFFFAOYSA-N	1	0	449.511	3.008	50	0		IGAARO
OC[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)CC2)C1	ZINC000012574178	527588038	/nfs/dbraw/zinc/58/80/38/527588038.db2.gz	WKTYLAROLUFDNU-QGZVFWFLSA-N	1	0	438.494	3.348	50	0		IGAARO
O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1	ZINC000033019028	527665323	/nfs/dbraw/zinc/66/53/23/527665323.db2.gz	HDDXZIIHOYJNGV-FQEVSTJZSA-N	1	0	434.588	3.481	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1csc(-c2ccncc2)n1	ZINC000035512082	527667990	/nfs/dbraw/zinc/66/79/90/527667990.db2.gz	SBEQGGNBCGJNDP-UHFFFAOYSA-N	1	0	425.533	3.286	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000002212207	535549895	/nfs/dbraw/zinc/54/98/95/535549895.db2.gz	JCXABLFQZDFOLD-GFXBCDTMSA-N	1	0	435.524	3.306	50	0		IGAARO
CC(C)OC[C@H](O)C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1	ZINC000034682259	555816058	/nfs/dbraw/zinc/81/60/58/555816058.db2.gz	GQEBOQIREJVUIM-JYLQPTBZSA-N	1	0	438.572	3.032	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C	ZINC000034830518	555911614	/nfs/dbraw/zinc/91/16/14/555911614.db2.gz	VSEKJQQFJQWMRJ-MWTRTKDXSA-N	1	0	429.561	3.304	50	0		IGAARO
COC(=O)c1sc(NC(=S)N2CC[NH+](C3CCCCC3)CC2)c(C(=O)OC)c1C	ZINC000004482030	555996957	/nfs/dbraw/zinc/99/69/57/555996957.db2.gz	BQXUSOUIVRUZKS-UHFFFAOYSA-N	1	0	439.603	3.277	50	0		IGAARO
COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)cc1OC	ZINC000008437891	556174012	/nfs/dbraw/zinc/17/40/12/556174012.db2.gz	XAGPFYILEYUDTF-UHFFFAOYSA-N	1	0	442.556	3.436	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)CC2)cc1C	ZINC000032772449	556335146	/nfs/dbraw/zinc/33/51/46/556335146.db2.gz	WFEICQIXCQOGGU-QHCPKHFHSA-N	1	0	443.613	3.123	50	0		IGAARO
O=C(C=Cc1c[nH]cn1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000011664329	556345295	/nfs/dbraw/zinc/34/52/95/556345295.db2.gz	OTEAHNKXPMBITC-VQKOGROQSA-N	1	0	426.536	3.482	50	0		IGAARO
COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2	ZINC000011783122	556351474	/nfs/dbraw/zinc/35/14/74/556351474.db2.gz	XBYVXOOZYCDXFS-SFHVURJKSA-N	1	0	445.567	3.121	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	ZINC000032795676	556357818	/nfs/dbraw/zinc/35/78/18/556357818.db2.gz	XARPHBSKSNKWSX-KRWDZBQOSA-N	1	0	430.346	3.180	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C	ZINC000011814450	556357946	/nfs/dbraw/zinc/35/79/46/556357946.db2.gz	WNNUHJAUXLHRGB-UHFFFAOYSA-N	1	0	441.557	3.412	50	0		IGAARO
CC[NH+](CC)C[C@@H](O)COc1ccc(CN(C)Cc2[nH]nc3c2CCCC3)cc1OC	ZINC000011820058	556362001	/nfs/dbraw/zinc/36/20/01/556362001.db2.gz	QSHMEYYZCQKNEA-LJQANCHMSA-N	1	0	430.593	3.011	50	0		IGAARO
CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C[NH2+][C@H](C)COC	ZINC000011841567	556365466	/nfs/dbraw/zinc/36/54/66/556365466.db2.gz	XHFXOCVUFBGJHH-CQSZACIVSA-N	1	0	430.530	3.306	50	0		IGAARO
COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000014198661	556390051	/nfs/dbraw/zinc/39/00/51/556390051.db2.gz	AGBWZSZIOIQSLL-SJORKVTESA-N	1	0	433.574	3.240	50	0		IGAARO
COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@H]([NH+](C)C)C4)c(C)c32)c1	ZINC000012049220	556391885	/nfs/dbraw/zinc/39/18/85/556391885.db2.gz	OJNHZSZQHYFCHW-KRWDZBQOSA-N	1	0	439.585	3.439	50	0		IGAARO
COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1	ZINC000012076844	556398025	/nfs/dbraw/zinc/39/80/25/556398025.db2.gz	GJFAGBMIHPXPFZ-XMMPIXPASA-N	1	0	425.529	3.236	50	0		IGAARO
COc1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1	ZINC000032624549	556411455	/nfs/dbraw/zinc/41/14/55/556411455.db2.gz	ZIQOJWBCDKUWJQ-HNNXBMFYSA-N	1	0	442.566	3.348	50	0		IGAARO
CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccccn1)CC2	ZINC000014532937	556421598	/nfs/dbraw/zinc/42/15/98/556421598.db2.gz	IIPOOXMGKRHOQX-UHFFFAOYSA-N	1	0	435.572	3.364	50	0		IGAARO
C[C@@H](NC(=O)c1nn(CCO)c2c1C[N@H+](CCCc1ccccc1)CC2)c1ccccc1	ZINC000014535249	556423197	/nfs/dbraw/zinc/42/31/97/556423197.db2.gz	IUFHIZHYWXSSBV-HXUWFJFHSA-N	1	0	432.568	3.357	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](CC=C(C)C)CC2	ZINC000014741097	556438830	/nfs/dbraw/zinc/43/88/30/556438830.db2.gz	ZVKFKBDCUDPSPT-UHFFFAOYSA-N	1	0	429.561	3.297	50	0		IGAARO
COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2	ZINC000014747842	556442368	/nfs/dbraw/zinc/44/23/68/556442368.db2.gz	GEXNVYPDGSODES-UHFFFAOYSA-N	1	0	442.585	3.021	50	0		IGAARO
Cc1ccc(F)c(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1F	ZINC000014750729	556443370	/nfs/dbraw/zinc/44/33/70/556443370.db2.gz	OPTYKLCKFGBFGQ-KRWDZBQOSA-N	1	0	446.542	3.245	50	0		IGAARO
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2	ZINC000014754657	556444764	/nfs/dbraw/zinc/44/47/64/556444764.db2.gz	HZIWDVRXYLOCSU-UHFFFAOYSA-N	1	0	448.523	3.273	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1	ZINC000028349649	556453064	/nfs/dbraw/zinc/45/30/64/556453064.db2.gz	KTJKIOWZFACJIX-JRJYRQGGSA-N	1	0	447.645	3.152	50	0		IGAARO
O=C(C1CCOCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014981328	556470822	/nfs/dbraw/zinc/47/08/22/556470822.db2.gz	APZWNRDAZOAMOP-RUZDIDTESA-N	1	0	426.601	3.300	50	0		IGAARO
COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC3)o1	ZINC000014988913	556474024	/nfs/dbraw/zinc/47/40/24/556474024.db2.gz	FQIQFKBRFOAELE-SFHVURJKSA-N	1	0	429.565	3.188	50	0		IGAARO
C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCc2ccccc21	ZINC000029482754	556476604	/nfs/dbraw/zinc/47/66/04/556476604.db2.gz	AMOBXVNTPPFQAE-JOCHJYFZSA-N	1	0	427.570	3.419	50	0		IGAARO
COC(=O)c1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc(NC(=O)c2ccccc2Cl)c1	ZINC000014999980	556479380	/nfs/dbraw/zinc/47/93/80/556479380.db2.gz	KLLDJTZSRKTGOC-FQEVSTJZSA-N	1	0	443.931	3.479	50	0		IGAARO
C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCn2ccc3ccccc32)C[C@H](C)O1	ZINC000015078480	556499978	/nfs/dbraw/zinc/49/99/78/556499978.db2.gz	CYFOVSRAECEFCL-CALCHBBNSA-N	1	0	437.569	3.390	50	0		IGAARO
O=C(Nc1cccc(C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl	ZINC000030665868	556501420	/nfs/dbraw/zinc/50/14/20/556501420.db2.gz	WXEXKFCMHZJHBU-AUSIDOKSSA-N	1	0	443.975	3.419	50	0		IGAARO
O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1	ZINC000065265672	556522792	/nfs/dbraw/zinc/52/27/92/556522792.db2.gz	XUGZSABWRHCEHR-UHFFFAOYSA-N	1	0	433.512	3.473	50	0		IGAARO
O=c1c2c(nc3sc(SCc4ccncc4)nn31)CC[N@@H+](CCc1ccccc1)C2	ZINC000015414150	556526448	/nfs/dbraw/zinc/52/64/48/556526448.db2.gz	WDMIJBSHZGYABG-UHFFFAOYSA-N	1	0	435.578	3.439	50	0		IGAARO
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1	ZINC000015536606	556533578	/nfs/dbraw/zinc/53/35/78/556533578.db2.gz	YTOBWGCVBGZXMK-VQIMIIECSA-N	1	0	435.615	3.344	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016013284	556574495	/nfs/dbraw/zinc/57/44/95/556574495.db2.gz	PGRHCBYLMMDTGD-IMIIHFCZSA-N	1	0	429.520	3.297	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[NH+]3CCCCCC3)s2)cc1	ZINC000032987097	556606908	/nfs/dbraw/zinc/60/69/08/556606908.db2.gz	DNWOWFYPMBFVOE-UHFFFAOYSA-N	1	0	447.630	3.324	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[NH+]3CCCCCC3)s2)cc1	ZINC000032987814	556608209	/nfs/dbraw/zinc/60/82/09/556608209.db2.gz	WFNGCVSLLKDCMO-UHFFFAOYSA-N	1	0	445.589	3.114	50	0		IGAARO
COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016750773	556637408	/nfs/dbraw/zinc/63/74/08/556637408.db2.gz	WSZBRUGBGLBDEK-NRFANRHFSA-N	1	0	434.492	3.385	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1Cl	ZINC000011898783	556669508	/nfs/dbraw/zinc/66/95/08/556669508.db2.gz	QMNXVHQIGWUNBA-LJQANCHMSA-N	1	0	432.952	3.359	50	0		IGAARO
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1	ZINC000045966976	556689171	/nfs/dbraw/zinc/68/91/71/556689171.db2.gz	MBFUYXDTQDAZKH-UHFFFAOYSA-N	1	0	448.336	3.053	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000032937321	556689914	/nfs/dbraw/zinc/68/99/14/556689914.db2.gz	WWEDTHNAFXAVNP-UHFFFAOYSA-N	1	0	429.389	3.479	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	ZINC000013646054	556706799	/nfs/dbraw/zinc/70/67/99/556706799.db2.gz	CBNLYCZGBZQHKC-UHFFFAOYSA-N	1	0	427.998	3.120	50	0		IGAARO
C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000033032598	556712880	/nfs/dbraw/zinc/71/28/80/556712880.db2.gz	FPBYWSGILQBGSC-KRWDZBQOSA-N	1	0	433.474	3.383	50	0		IGAARO
CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1	ZINC000033033175	556713908	/nfs/dbraw/zinc/71/39/08/556713908.db2.gz	ZFDCLNFKTOZCPR-UHFFFAOYSA-N	1	0	444.601	3.078	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c(OC)c1OC	ZINC000055060476	556733155	/nfs/dbraw/zinc/73/31/55/556733155.db2.gz	UGUSTDIJCNGEDP-HXUWFJFHSA-N	1	0	439.556	3.139	50	0		IGAARO
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CC[NH+](C2CCCCC2)CC1	ZINC000019372132	556748622	/nfs/dbraw/zinc/74/86/22/556748622.db2.gz	MJFSYSVXRLDDCT-UHFFFAOYSA-N	1	0	430.524	3.373	50	0		IGAARO
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000061721564	556811217	/nfs/dbraw/zinc/81/12/17/556811217.db2.gz	BRCFUMOORWWPRK-UHFFFAOYSA-N	1	0	436.943	3.345	50	0		IGAARO
CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)ccc2NC3=O)cc1	ZINC000062001273	556812435	/nfs/dbraw/zinc/81/24/35/556812435.db2.gz	UQFKYCDFYIAIJQ-NNPDTBDGSA-N	1	0	433.508	3.442	50	0		IGAARO
Cc1ccccc1-n1nnnc1C1([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CCCCC1	ZINC000016036244	556892150	/nfs/dbraw/zinc/89/21/50/556892150.db2.gz	OIWPGFLLZXCMBI-UXHICEINSA-N	1	0	430.556	3.411	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)[C@@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O	ZINC000032944949	557028094	/nfs/dbraw/zinc/02/80/94/557028094.db2.gz	KUMDCKOHEPCSHG-OAHLLOKOSA-N	1	0	426.483	3.441	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)cc1C	ZINC000010813435	557029821	/nfs/dbraw/zinc/02/98/21/557029821.db2.gz	ACPWHPKKZWBMSS-UHFFFAOYSA-N	1	0	435.634	3.130	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3csc(Cc4ccccc4)n3)cn2)CC1	ZINC000048236068	557047234	/nfs/dbraw/zinc/04/72/34/557047234.db2.gz	JOJHEJCMENKGAU-UHFFFAOYSA-N	1	0	435.597	3.130	50	0		IGAARO
O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1ccc2c(c1)OCO2	ZINC000022925061	557048328	/nfs/dbraw/zinc/04/83/28/557048328.db2.gz	QMPKOGJYDLSOBL-UHFFFAOYSA-N	1	0	443.547	3.439	50	0		IGAARO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Oc4cccc(F)c4)nc3)cn2)CC1	ZINC000048324548	557065378	/nfs/dbraw/zinc/06/53/78/557065378.db2.gz	JRNOXGLFJZNPSX-UHFFFAOYSA-N	1	0	436.491	3.482	50	0		IGAARO
Cc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1	ZINC000023129719	557066250	/nfs/dbraw/zinc/06/62/50/557066250.db2.gz	IEFVMUWWAFLYNX-MRXNPFEDSA-N	1	0	425.483	3.414	50	0		IGAARO
COc1cc(C[NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)c1OC	ZINC000048313753	557067470	/nfs/dbraw/zinc/06/74/70/557067470.db2.gz	DOVDCVLZHBYGGM-UHFFFAOYSA-N	1	0	427.973	3.390	50	0		IGAARO
C[N@@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)[C@H](c2ccccc2)C1	ZINC000048333456	557068206	/nfs/dbraw/zinc/06/82/06/557068206.db2.gz	PTLIVDUJWMSJGL-VWLOTQADSA-N	1	0	429.568	3.468	50	0		IGAARO
O=C(CC1=CCCCC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000023357980	557086995	/nfs/dbraw/zinc/08/69/95/557086995.db2.gz	VYAKLMLQTXBCCO-JOCHJYFZSA-N	1	0	425.573	3.414	50	0		IGAARO
Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)N4CC[NH+](C(C)C)CC4)CC3=O)c2)c1	ZINC000033308659	557089447	/nfs/dbraw/zinc/08/94/47/557089447.db2.gz	IMZAANGYKNZRQK-NRFANRHFSA-N	1	0	448.567	3.153	50	0		IGAARO
COc1ccc(CN2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1	ZINC000023731813	557111751	/nfs/dbraw/zinc/11/17/51/557111751.db2.gz	GAFDRRIDEUWEEN-JOCHJYFZSA-N	1	0	426.561	3.343	50	0		IGAARO
O=S(=O)(c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1)N1CCCC1	ZINC000023908111	557124706	/nfs/dbraw/zinc/12/47/06/557124706.db2.gz	ZTMNVIBSFAEBGE-UHFFFAOYSA-N	1	0	436.581	3.342	50	0		IGAARO
CCN(CC)c1cc(COC)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1	ZINC000006766273	557129441	/nfs/dbraw/zinc/12/94/41/557129441.db2.gz	KRFWQHMBBOSATG-UHFFFAOYSA-N	1	0	431.606	3.053	50	0		IGAARO
COc1cc(NC(=O)CC[NH+]2CCC(COc3ccccn3)CC2)cc(OC)c1OC	ZINC000072308560	557328735	/nfs/dbraw/zinc/32/87/35/557328735.db2.gz	MPWITOVSSHPZDJ-UHFFFAOYSA-N	1	0	429.517	3.227	50	0		IGAARO
c1ccc(C[NH+]2CCN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC2)cc1	ZINC000033414565	557339723	/nfs/dbraw/zinc/33/97/23/557339723.db2.gz	YDSGIUIHTPLALP-UHFFFAOYSA-N	1	0	449.624	3.334	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000105018841	557473122	/nfs/dbraw/zinc/47/31/22/557473122.db2.gz	JWLFTULVMUABGI-VWNXMTODSA-N	1	0	440.584	3.341	50	0		IGAARO
C[C@@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(-n2ccnc2)cc1	ZINC000107553919	557536471	/nfs/dbraw/zinc/53/64/71/557536471.db2.gz	LQSNFQOSXWSSMZ-OJLQRUNKSA-N	1	0	437.544	3.186	50	0		IGAARO
Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NC[C@@H]4CC[N@H+](C)[C@H]4c4cccs4)c3)cc21	ZINC000108389733	557542758	/nfs/dbraw/zinc/54/27/58/557542758.db2.gz	TXYCTSLNNISGRK-LAUBAEHRSA-N	1	0	447.564	3.365	50	0		IGAARO
Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1I	ZINC000225541945	557739291	/nfs/dbraw/zinc/73/92/91/557739291.db2.gz	JGEBMAIDLWNZFM-UHFFFAOYSA-N	1	0	436.359	3.187	50	0		IGAARO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229902142	557833942	/nfs/dbraw/zinc/83/39/42/557833942.db2.gz	WZTBGUAXFBSKAK-AVJFOWIRSA-N	1	0	441.462	3.410	50	0		IGAARO
O=C(NCCN1CCOCC1)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000239782401	557845095	/nfs/dbraw/zinc/84/50/95/557845095.db2.gz	COESLXCYTFKJHU-SKBVVQJISA-N	1	0	448.611	3.071	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1	ZINC000003657516	562937471	/nfs/dbraw/zinc/93/74/71/562937471.db2.gz	WQJPMKRTVRDDBZ-PKTZIBPZSA-N	1	0	441.547	3.211	50	0		IGAARO
CCC[NH+](CCC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C	ZINC000004057610	562941408	/nfs/dbraw/zinc/94/14/08/562941408.db2.gz	FFBQUDSJGFYCTM-UHFFFAOYSA-N	1	0	440.588	3.382	50	0		IGAARO
CCn1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2cc(OC)c(OC)cc2c1=O	ZINC000004143234	562942339	/nfs/dbraw/zinc/94/23/39/562942339.db2.gz	DJOGHQKNEJJZFL-CALCHBBNSA-N	1	0	429.561	3.136	50	0		IGAARO
COc1ccc([C@H](CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)cc1	ZINC000004144191	562942348	/nfs/dbraw/zinc/94/23/48/562942348.db2.gz	ZCFOEJZBMVWSOE-FQEVSTJZSA-N	1	0	428.529	3.217	50	0		IGAARO
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000012975176	562983726	/nfs/dbraw/zinc/98/37/26/562983726.db2.gz	AGQDDNGWZDVEGG-IRXDYDNUSA-N	1	0	435.615	3.027	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)CC1	ZINC000020286376	563024359	/nfs/dbraw/zinc/02/43/59/563024359.db2.gz	SCAQXSHFTPXSSP-UHFFFAOYSA-N	1	0	427.570	3.464	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1	ZINC000020355109	563024480	/nfs/dbraw/zinc/02/44/80/563024480.db2.gz	JGZSGXTUCLJOMX-UHFFFAOYSA-N	1	0	442.604	3.305	50	0		IGAARO
COc1ccc(CNCc2cc(C)no2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000015069473	568635120	/nfs/dbraw/zinc/63/51/20/568635120.db2.gz	QCCOLPLCUYMFCQ-OAQYLSRUSA-N	1	0	425.529	3.153	50	0		IGAARO
CCCCn1c(CN(CCO)CC23CC4CC(CC(C4)C2)C3)cnc1S(=O)(=O)CC	ZINC000015076499	568635987	/nfs/dbraw/zinc/63/59/87/568635987.db2.gz	UKJGQIALPZKJJS-UHFFFAOYSA-N	1	0	437.650	3.488	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C	ZINC000263587287	568760487	/nfs/dbraw/zinc/76/04/87/568760487.db2.gz	FEXUYIURTHKPTA-QUCCMNQESA-N	1	0	428.577	3.215	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)CC1	ZINC000083877985	568784345	/nfs/dbraw/zinc/78/43/45/568784345.db2.gz	GXTUSCPNXXYETN-PMACEKPBSA-N	1	0	434.556	3.160	50	0		IGAARO
Cc1nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc(N2CCCCC2)[nH+]1	ZINC000015671203	568802368	/nfs/dbraw/zinc/80/23/68/568802368.db2.gz	ZYDUEWTYSKHYBN-UHFFFAOYSA-N	1	0	434.338	3.093	50	0		IGAARO
O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCCC[NH+]1CCCCC1	ZINC000015677939	568804995	/nfs/dbraw/zinc/80/49/95/568804995.db2.gz	UTCNBWWJLHYCLN-QHCPKHFHSA-N	1	0	436.556	3.321	50	0		IGAARO
CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(OC)c(OC)c3)s2)CC1	ZINC000015728194	568813038	/nfs/dbraw/zinc/81/30/38/568813038.db2.gz	OYMFISVHFVLVMZ-UHFFFAOYSA-N	1	0	442.589	3.490	50	0		IGAARO
O=C1CCSc2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2N1	ZINC000015728419	568813071	/nfs/dbraw/zinc/81/30/71/568813071.db2.gz	NYWLUVXMMNBWOG-UHFFFAOYSA-N	1	0	431.583	3.064	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1	ZINC000085651195	568831830	/nfs/dbraw/zinc/83/18/30/568831830.db2.gz	GJXDTDDHFOZYKO-UHFFFAOYSA-N	1	0	425.508	3.468	50	0		IGAARO
CCOc1ccccc1CN1CC[N@@H+](C2CCN(Cc3ccccn3)CC2)C[C@H]1CCO	ZINC000104644100	568837163	/nfs/dbraw/zinc/83/71/63/568837163.db2.gz	IJJSEWAUGKHGEX-RUZDIDTESA-N	1	0	438.616	3.014	50	0		IGAARO
CC(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000104984613	568838781	/nfs/dbraw/zinc/83/87/81/568838781.db2.gz	YVDVTOHDOZGQPC-NHCUHLMSSA-N	1	0	444.503	3.336	50	0		IGAARO
CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1-c1ccc(N2CCOCC2)cc1	ZINC000575443933	568869709	/nfs/dbraw/zinc/86/97/09/568869709.db2.gz	YFQYEGGXCLEIKX-QFIPXVFZSA-N	1	0	431.544	3.264	50	0		IGAARO
Cc1ccc(Oc2cccc(C(=O)NCCNc3cc(-n4cccc4)nc(C)[nH+]3)c2)nn1	ZINC000090607810	568890406	/nfs/dbraw/zinc/89/04/06/568890406.db2.gz	SLTRJQBTFSNEGI-UHFFFAOYSA-N	1	0	429.484	3.308	50	0		IGAARO
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)c(Cl)c2)cc(C)c1F	ZINC000089587208	568938706	/nfs/dbraw/zinc/93/87/06/568938706.db2.gz	IDBLOVIMDRSSSS-UHFFFAOYSA-N	1	0	427.929	3.188	50	0		IGAARO
CCc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)c1	ZINC000064836119	568969235	/nfs/dbraw/zinc/96/92/35/568969235.db2.gz	CAIRPBYRNFTSJM-UHFFFAOYSA-N	1	0	441.535	3.406	50	0		IGAARO
CC(C)CC(=O)N(CC[NH+](C)C)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249266	568983219	/nfs/dbraw/zinc/98/32/19/568983219.db2.gz	JVJJUYYGUKVSFY-UHFFFAOYSA-N	1	0	432.540	3.254	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1	ZINC000036256255	568985095	/nfs/dbraw/zinc/98/50/95/568985095.db2.gz	VOWVDLXOJGGEMB-QFIPXVFZSA-N	1	0	449.039	3.115	50	0		IGAARO
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCC[NH+]3CCCCC3)c2C1	ZINC000065000258	569085946	/nfs/dbraw/zinc/08/59/46/569085946.db2.gz	WHVXZAHCDYRRMP-UHFFFAOYSA-N	1	0	439.531	3.347	50	0		IGAARO
CC[NH+]1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCC(C)CC4)c3)nn2)CC1	ZINC000065009359	569087885	/nfs/dbraw/zinc/08/78/85/569087885.db2.gz	AWNHOWARGLPUDC-UHFFFAOYSA-N	1	0	443.617	3.015	50	0		IGAARO
O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)N1CCC[C@@H](C[NH+]2CCCC2)C1	ZINC000169786561	569105641	/nfs/dbraw/zinc/10/56/41/569105641.db2.gz	GXJPCBLXRPHJMO-RTWAWAEBSA-N	1	0	440.636	3.382	50	0		IGAARO
CCc1ccc(CNC(=O)Cn2c(CC)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000065153593	569112078	/nfs/dbraw/zinc/11/20/78/569112078.db2.gz	KUSHBWQXFBHZEV-UHFFFAOYSA-N	1	0	444.579	3.243	50	0		IGAARO
O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)N1CCC[C@H](C[NH+]2CCCC2)C1	ZINC000065245366	569121481	/nfs/dbraw/zinc/12/14/81/569121481.db2.gz	GXJPCBLXRPHJMO-NHCUHLMSSA-N	1	0	440.636	3.382	50	0		IGAARO
CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)C2)ncn1	ZINC000065245131	569121510	/nfs/dbraw/zinc/12/15/10/569121510.db2.gz	IFKLEHNDHLMXJJ-LEWJYISDSA-N	1	0	428.625	3.239	50	0		IGAARO
O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065255987	569123053	/nfs/dbraw/zinc/12/30/53/569123053.db2.gz	QCUYSZMBVJKPAG-DEOSSOPVSA-N	1	0	445.542	3.334	50	0		IGAARO
C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1	ZINC000065272058	569128956	/nfs/dbraw/zinc/12/89/56/569128956.db2.gz	WYSIMJIHSHQWOU-UHFFFAOYSA-N	1	0	427.549	3.392	50	0		IGAARO
CCC(CC)[NH+]1CCN(C(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)CC1	ZINC000065283423	569130169	/nfs/dbraw/zinc/13/01/69/569130169.db2.gz	YOPZDEZXPKYNLN-UHFFFAOYSA-N	1	0	433.647	3.499	50	0		IGAARO
CCc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4nc5ccccc5[nH]4)CC3)CC2=O)cc1	ZINC000170636112	569177704	/nfs/dbraw/zinc/17/77/04/569177704.db2.gz	NFMUYIFGRLGYJG-IBGZPJMESA-N	1	0	445.567	3.259	50	0		IGAARO
Cc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1	ZINC000037376377	569185518	/nfs/dbraw/zinc/18/55/18/569185518.db2.gz	PVFLFSUBSPCJLV-UHFFFAOYSA-N	1	0	435.482	3.403	50	0		IGAARO
COc1ccc(-n2nc3nc(NCC[NH+](C)C)nc(-c4cccc(F)c4F)c3c2N)cc1	ZINC000037376060	569185604	/nfs/dbraw/zinc/18/56/04/569185604.db2.gz	GMIXJCATCKNENH-UHFFFAOYSA-N	1	0	439.470	3.325	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000037524148	569198351	/nfs/dbraw/zinc/19/83/51/569198351.db2.gz	UMKHRNCSXVCCLL-IFMALSPDSA-N	1	0	432.511	3.302	50	0		IGAARO
COc1ccc(-n2c(=O)c3c4c(sc3n(CCC[NH+](C)C)c2=O)CCCCC4)cc1	ZINC000002217237	569203879	/nfs/dbraw/zinc/20/38/79/569203879.db2.gz	LRRPBYGPNUSWMP-UHFFFAOYSA-N	1	0	427.570	3.443	50	0		IGAARO
O=C(CCc1ccccc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000581820129	569211798	/nfs/dbraw/zinc/21/17/98/569211798.db2.gz	TZNNQRDWMIFPET-DEOSSOPVSA-N	1	0	448.611	3.377	50	0		IGAARO
C[NH+](C)CCCn1cnc2cc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)ccc21	ZINC000252483817	569287883	/nfs/dbraw/zinc/28/78/83/569287883.db2.gz	FJBPJEAAJOWJTD-UHFFFAOYSA-N	1	0	441.967	3.287	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1	ZINC000118655445	569313662	/nfs/dbraw/zinc/31/36/62/569313662.db2.gz	JMVAICMXEKIGAQ-WTNAPCKOSA-N	1	0	441.597	3.276	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000079050704	569323404	/nfs/dbraw/zinc/32/34/04/569323404.db2.gz	JCGGQDNBWLUNJA-QZTJIDSGSA-N	1	0	431.581	3.396	50	0		IGAARO
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000095480121	569373824	/nfs/dbraw/zinc/37/38/24/569373824.db2.gz	ZOCWTJDQGWXDMH-HXUWFJFHSA-N	1	0	438.963	3.281	50	0		IGAARO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@]1(C)CCCc2ccccc21	ZINC000095953327	569376736	/nfs/dbraw/zinc/37/67/36/569376736.db2.gz	QFMVJCXGUHIPFT-HSZRJFAPSA-N	1	0	443.569	3.373	50	0		IGAARO
O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1c(F)cccc1Cl	ZINC000096024217	569380489	/nfs/dbraw/zinc/38/04/89/569380489.db2.gz	WTYPXRDCRJKLNM-UHFFFAOYSA-N	1	0	428.895	3.215	50	0		IGAARO
C[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000097165345	569403354	/nfs/dbraw/zinc/40/33/54/569403354.db2.gz	WMJZCDDBJQMZJG-RTWAWAEBSA-N	1	0	436.641	3.042	50	0		IGAARO
O=C(CNC(=O)c1ccccc1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000225631261	569406240	/nfs/dbraw/zinc/40/62/40/569406240.db2.gz	MAJANBZNVUBIIT-XMMPIXPASA-N	1	0	435.568	3.089	50	0		IGAARO
O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2	ZINC000056896316	569427442	/nfs/dbraw/zinc/42/74/42/569427442.db2.gz	JDLCXLZPLQGUPM-JOCHJYFZSA-N	1	0	448.498	3.243	50	0		IGAARO
CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1	ZINC000057744165	569441223	/nfs/dbraw/zinc/44/12/23/569441223.db2.gz	RTGNFLWGBNYGKN-UHFFFAOYSA-N	1	0	430.574	3.043	50	0		IGAARO
COc1ccc2c(C)c(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)oc2c1	ZINC000670434003	569442795	/nfs/dbraw/zinc/44/27/95/569442795.db2.gz	PJUBMYNAURVJPC-OUXPZVHUSA-N	1	0	431.536	3.047	50	0		IGAARO
CN(c1ccsc1C(=O)NCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000067245571	569465877	/nfs/dbraw/zinc/46/58/77/569465877.db2.gz	DHQBVNVGPDFDHD-UHFFFAOYSA-N	1	0	442.006	3.442	50	0		IGAARO
Cc1ccc(-c2cc3c(N4CCC(C(N)=O)([NH+]5CCCCC5)CC4)nccn3n2)c(C)c1	ZINC000067285076	569466838	/nfs/dbraw/zinc/46/68/38/569466838.db2.gz	DTFIFQHBCPBEPW-UHFFFAOYSA-N	1	0	432.572	3.323	50	0		IGAARO
COCCNc1nc2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2n1C	ZINC000670472876	569470045	/nfs/dbraw/zinc/47/00/45/569470045.db2.gz	SIYVUVDRPRBENH-QGZVFWFLSA-N	1	0	427.574	3.088	50	0		IGAARO
Cc1ccc(S(=O)(=O)c2cn(CC(=O)N(C)C3CC[NH+](C)CC3)c3ccccc23)cc1	ZINC000008865293	569480251	/nfs/dbraw/zinc/48/02/51/569480251.db2.gz	NOGVBUBIPGRDCO-UHFFFAOYSA-N	1	0	439.581	3.335	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c(OC)c1	ZINC000008893198	569483558	/nfs/dbraw/zinc/48/35/58/569483558.db2.gz	XZACBBYXEYTATA-LJQANCHMSA-N	1	0	431.558	3.437	50	0		IGAARO
CN1CCN([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1	ZINC000040160710	569495104	/nfs/dbraw/zinc/49/51/04/569495104.db2.gz	FQUXFRYQPPJGLR-YMPZKCBVSA-N	1	0	429.630	3.081	50	0		IGAARO
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000009076832	569500373	/nfs/dbraw/zinc/50/03/73/569500373.db2.gz	UTICBJIFIPUXHI-JOCHJYFZSA-N	1	0	449.551	3.472	50	0		IGAARO
COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1	ZINC000245279087	569502090	/nfs/dbraw/zinc/50/20/90/569502090.db2.gz	BWMNXSVSOOBQRK-DENIHFKCSA-N	1	0	444.597	3.033	50	0		IGAARO
COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2cccc(F)c2)C3)c1C	ZINC000069656249	569511701	/nfs/dbraw/zinc/51/17/01/569511701.db2.gz	OSYBVPPPMPISBK-UHFFFAOYSA-N	1	0	437.519	3.039	50	0		IGAARO
COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccc(F)cc2)C3)c1C	ZINC000069656251	569511716	/nfs/dbraw/zinc/51/17/16/569511716.db2.gz	LXPXRIWZFOGRDC-UHFFFAOYSA-N	1	0	437.519	3.039	50	0		IGAARO
Cc1c(C(=O)N2CCC(C)CC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2	ZINC000069951621	569525430	/nfs/dbraw/zinc/52/54/30/569525430.db2.gz	VXKKXCGHCXOCBS-UHFFFAOYSA-N	1	0	430.556	3.401	50	0		IGAARO
O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1	ZINC000009663201	569557208	/nfs/dbraw/zinc/55/72/08/569557208.db2.gz	FVRZHGRBABFWRB-UHFFFAOYSA-N	1	0	434.540	3.493	50	0		IGAARO
C[C@@H](C(=O)NCC[NH+]1CCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12	ZINC000009667318	569557796	/nfs/dbraw/zinc/55/77/96/569557796.db2.gz	WVYMBFDQWVWNHZ-UUOWRZLLSA-N	1	0	430.552	3.324	50	0		IGAARO
O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CC[NH+](Cc2ccccc2F)CC1	ZINC000009688597	569560838	/nfs/dbraw/zinc/56/08/38/569560838.db2.gz	MPUSPXQRQHTYAA-UHFFFAOYSA-N	1	0	431.895	3.415	50	0		IGAARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009789401	569568121	/nfs/dbraw/zinc/56/81/21/569568121.db2.gz	ZVVDGEGBCYOKNW-UHFFFAOYSA-N	1	0	441.597	3.387	50	0		IGAARO
CSc1nc2nc(C)c(CCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(C)n2n1	ZINC000009992444	569576898	/nfs/dbraw/zinc/57/68/98/569576898.db2.gz	ABZBUXFNTQGMRD-UHFFFAOYSA-N	1	0	438.601	3.308	50	0		IGAARO
CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000002371815	132253342	/nfs/dbraw/zinc/25/33/42/132253342.db2.gz	LJNCDBNSFGZHTK-UHFFFAOYSA-N	1	0	426.586	3.454	50	0		IGAARO
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1	ZINC000021018687	519639839	/nfs/dbraw/zinc/63/98/39/519639839.db2.gz	SEKTZSJFQHHOMP-VWLOTQADSA-N	1	0	431.536	3.418	50	0		IGAARO
CC(=O)Nc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1	ZINC000012126706	519715968	/nfs/dbraw/zinc/71/59/68/519715968.db2.gz	NLOYOBIORMPCSH-HXUWFJFHSA-N	1	0	429.590	3.424	50	0		IGAARO
CC(C)Oc1cnn(-c2ccccc2)c(=O)c1Nc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000036061481	519785593	/nfs/dbraw/zinc/78/55/93/519785593.db2.gz	LNAUIUNHCQDFOG-UHFFFAOYSA-N	1	0	435.528	3.055	50	0		IGAARO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022865547	519825832	/nfs/dbraw/zinc/82/58/32/519825832.db2.gz	KNUYMKCLEZNCKC-VDEHWKIFSA-N	1	0	432.605	3.371	50	0		IGAARO
CCCC(=O)OC[C@@H](O)CN(CC[NH+]1CCCC1)Cc1cccn1Cc1ccc(F)cc1	ZINC000035840496	519881078	/nfs/dbraw/zinc/88/10/78/519881078.db2.gz	ZVKNEANDRFOEPB-DEOSSOPVSA-N	1	0	445.579	3.278	50	0		IGAARO
CCCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br	ZINC000020925978	520367268	/nfs/dbraw/zinc/36/72/68/520367268.db2.gz	ZDKHHJFUSYHXKR-UHFFFAOYSA-N	1	0	427.364	3.218	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[N@H+](C)C3CCCCC3)n2C)c1	ZINC000035561097	520815458	/nfs/dbraw/zinc/81/54/58/520815458.db2.gz	ZQLJINFNVOQQIS-UHFFFAOYSA-N	1	0	448.633	3.203	50	0		IGAARO
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)cc1	ZINC000012778801	521130279	/nfs/dbraw/zinc/13/02/79/521130279.db2.gz	KVLRJMSHFDYVQB-UHFFFAOYSA-N	1	0	445.585	3.489	50	0		IGAARO
CCOc1cccc(N2C(=O)C[C@@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c1	ZINC000022753179	521382285	/nfs/dbraw/zinc/38/22/85/521382285.db2.gz	NVLMFSVSHANOIV-MCADVSAISA-N	1	0	437.584	3.304	50	0		IGAARO
CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1	ZINC000012807869	521667464	/nfs/dbraw/zinc/66/74/64/521667464.db2.gz	XCSFFLLHUJGLPE-WMZHIEFXSA-N	1	0	434.584	3.451	50	0		IGAARO
CC[NH+]1CCN([C@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1	ZINC000022910012	521695424	/nfs/dbraw/zinc/69/54/24/521695424.db2.gz	OOWTUBHYTOWPPH-SFHVURJKSA-N	1	0	426.561	3.140	50	0		IGAARO
COC(=O)c1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1	ZINC000012099326	522006521	/nfs/dbraw/zinc/00/65/21/522006521.db2.gz	KBJILLMFKZGJKD-HSZRJFAPSA-N	1	0	441.553	3.257	50	0		IGAARO
CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2)Cc1cccnc1	ZINC000012305348	522449692	/nfs/dbraw/zinc/44/96/92/522449692.db2.gz	MTYCKSPNIOZDNB-DEOSSOPVSA-N	1	0	428.527	3.306	50	0		IGAARO
COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2ccc(F)c(F)c2)CCO3)CC1	ZINC000012456083	522917477	/nfs/dbraw/zinc/91/74/77/522917477.db2.gz	NBTXKXYVUXLYLB-UHFFFAOYSA-N	1	0	444.478	3.385	50	0		IGAARO
COC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1	ZINC000012435782	523115839	/nfs/dbraw/zinc/11/58/39/523115839.db2.gz	AWRMRIFIKNQBHQ-SFHVURJKSA-N	1	0	425.529	3.197	50	0		IGAARO
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2ccccc2O1	ZINC000020902396	523228589	/nfs/dbraw/zinc/22/85/89/523228589.db2.gz	MLEXSWFDFCVMLO-NRFANRHFSA-N	1	0	442.604	3.488	50	0		IGAARO
COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCCN1CCCCC1=O	ZINC000012586097	523689461	/nfs/dbraw/zinc/68/94/61/523689461.db2.gz	AEANJQXDDKZZRW-UHFFFAOYSA-N	1	0	447.595	3.305	50	0		IGAARO
COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1	ZINC000012243209	523694513	/nfs/dbraw/zinc/69/45/13/523694513.db2.gz	ATHWFVLQKLNLLT-QFIPXVFZSA-N	1	0	441.597	3.213	50	0		IGAARO
COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000015066179	524006558	/nfs/dbraw/zinc/00/65/58/524006558.db2.gz	ZCKPIYGIYKCAQX-QHCPKHFHSA-N	1	0	444.620	3.375	50	0		IGAARO
COc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(C)c1C	ZINC000012022511	524025803	/nfs/dbraw/zinc/02/58/03/524025803.db2.gz	JGFRGZBXKXOSDJ-OAQYLSRUSA-N	1	0	440.588	3.298	50	0		IGAARO
C[NH+](C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(cccc2Cl)s1	ZINC000012140818	524058662	/nfs/dbraw/zinc/05/86/62/524058662.db2.gz	WJNCZFQCGRFAIP-UHFFFAOYSA-N	1	0	442.928	3.141	50	0		IGAARO
COc1ccc(Cc2noc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)cc1OC	ZINC000020453472	524170430	/nfs/dbraw/zinc/17/04/30/524170430.db2.gz	FPERDVXBFUMNAE-QFIPXVFZSA-N	1	0	448.567	3.353	50	0		IGAARO
Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)c1	ZINC000035422094	524380851	/nfs/dbraw/zinc/38/08/51/524380851.db2.gz	IMPLXLBKIYUOBJ-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
COc1ccccc1CN1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)CCC1=O	ZINC000012432459	524455386	/nfs/dbraw/zinc/45/53/86/524455386.db2.gz	UVQPBZIQGNXARS-NRFANRHFSA-N	1	0	427.589	3.349	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C)[NH+]1CCCC1	ZINC000012800586	524789259	/nfs/dbraw/zinc/78/92/59/524789259.db2.gz	UPMOGCNDHWIMDK-WIOPSUGQSA-N	1	0	437.584	3.332	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1	ZINC000022809345	524826887	/nfs/dbraw/zinc/82/68/87/524826887.db2.gz	NLQWCDFIRRZLNQ-GJZUVCINSA-N	1	0	440.584	3.277	50	0		IGAARO
COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1	ZINC000012420245	524838345	/nfs/dbraw/zinc/83/83/45/524838345.db2.gz	UJDYJRIWYRIFEB-HXUWFJFHSA-N	1	0	434.964	3.365	50	0		IGAARO
COc1ccc(OC)c(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000022465989	524868275	/nfs/dbraw/zinc/86/82/75/524868275.db2.gz	BHXGZONQJYIMKS-VGSWGCGISA-N	1	0	428.602	3.367	50	0		IGAARO
C[C@@H]1C[N@H+](C2CCN(C(=O)c3cn(Cc4cccc5ccccc54)nn3)CC2)C[C@H](C)O1	ZINC000020995871	524921269	/nfs/dbraw/zinc/92/12/69/524921269.db2.gz	NLDYBJCDUCLHSD-KDURUIRLSA-N	1	0	433.556	3.193	50	0		IGAARO
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2cnn(C)c2C)c1	ZINC000012466154	524926083	/nfs/dbraw/zinc/92/60/83/524926083.db2.gz	ACLDCTSBMQEAMF-UHFFFAOYSA-N	1	0	426.561	3.453	50	0		IGAARO
COc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1OC	ZINC000021530567	525169745	/nfs/dbraw/zinc/16/97/45/525169745.db2.gz	XVGMLAPRGAGVPT-OAQYLSRUSA-N	1	0	437.540	3.003	50	0		IGAARO
C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCC1	ZINC000021811822	525201597	/nfs/dbraw/zinc/20/15/97/525201597.db2.gz	XISAJQIAIPYDMH-XMMPIXPASA-N	1	0	426.561	3.384	50	0		IGAARO
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1	ZINC000058192158	525380918	/nfs/dbraw/zinc/38/09/18/525380918.db2.gz	XKHMRUKHUIQCQO-IYBDPMFKSA-N	1	0	438.410	3.442	50	0		IGAARO
Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C(C)C)CC2)CC(=O)N(Cc2ccccc2)C1=O	ZINC000020782600	525448246	/nfs/dbraw/zinc/44/82/46/525448246.db2.gz	YJWWLBDNYDICNV-MHZLTWQESA-N	1	0	447.579	3.135	50	0		IGAARO
COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1OC	ZINC000012296363	525496879	/nfs/dbraw/zinc/49/68/79/525496879.db2.gz	BVARYDKLWCRADI-QFBILLFUSA-N	1	0	428.529	3.042	50	0		IGAARO
C[C@@H]1Cc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2N1S(C)(=O)=O	ZINC000012779695	525520069	/nfs/dbraw/zinc/52/00/69/525520069.db2.gz	BHJQPPOSZNLGRB-BEFAXECRSA-N	1	0	433.599	3.026	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCC[C@@H](C)[NH+]4CCCC4)CC3)[nH]c2c1	ZINC000035562007	525620501	/nfs/dbraw/zinc/62/05/01/525620501.db2.gz	XPQILIMYVFSIBM-GOSISDBHSA-N	1	0	440.588	3.409	50	0		IGAARO
Cc1cnc(C(=O)N2CCOc3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3C2)cn1	ZINC000012190652	525969821	/nfs/dbraw/zinc/96/98/21/525969821.db2.gz	WCHOZZKAMRBAGZ-UHFFFAOYSA-N	1	0	443.551	3.142	50	0		IGAARO
Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)n3)ccc12	ZINC000020736396	526150910	/nfs/dbraw/zinc/15/09/10/526150910.db2.gz	RFGMISRRBBRKBS-UHFFFAOYSA-N	1	0	440.500	3.102	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O	ZINC000035374835	526247705	/nfs/dbraw/zinc/24/77/05/526247705.db2.gz	NFUYBWUCBXFITH-KRWDZBQOSA-N	1	0	443.979	3.321	50	0		IGAARO
O=C(CCC1CCCCC1)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1	ZINC000012577467	526404532	/nfs/dbraw/zinc/40/45/32/526404532.db2.gz	SHFQBNRGBOMNCI-QHCPKHFHSA-N	1	0	433.637	3.345	50	0		IGAARO
c1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)nc2c1	ZINC000020993294	526499485	/nfs/dbraw/zinc/49/94/85/526499485.db2.gz	NOFBLLUBGAIBSF-FQEVSTJZSA-N	1	0	433.556	3.074	50	0		IGAARO
O=C(CN1CCCCC1=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000011938595	526736923	/nfs/dbraw/zinc/73/69/23/526736923.db2.gz	QKXARWMHHYCQTK-JOCHJYFZSA-N	1	0	426.605	3.467	50	0		IGAARO
O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccco1	ZINC000021822144	526767966	/nfs/dbraw/zinc/76/79/66/526767966.db2.gz	MXJFLLRXLPSDJA-UHFFFAOYSA-N	1	0	432.524	3.013	50	0		IGAARO
Cn1nc(C(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c2c1-c1ccsc1CC2	ZINC000035427723	527542918	/nfs/dbraw/zinc/54/29/18/527542918.db2.gz	YUIDBUGAUYLPTC-UHFFFAOYSA-N	1	0	441.645	3.317	50	0		IGAARO
COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)cc1Br	ZINC000002858601	555842921	/nfs/dbraw/zinc/84/29/21/555842921.db2.gz	ZKDACWCAOWYIJW-UHFFFAOYSA-N	1	0	435.384	3.054	50	0		IGAARO
Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(OCCC[NH+](C)C)c21	ZINC000013691238	556280747	/nfs/dbraw/zinc/28/07/47/556280747.db2.gz	IPXDOENJJILVSV-UHFFFAOYSA-N	1	0	440.569	3.470	50	0		IGAARO
Cc1nn(C)c(C)c1CNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c1=O	ZINC000011838576	556363854	/nfs/dbraw/zinc/36/38/54/556363854.db2.gz	AVAPZFLUUVLXCB-UHFFFAOYSA-N	1	0	447.583	3.110	50	0		IGAARO
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000012024214	556387446	/nfs/dbraw/zinc/38/74/46/556387446.db2.gz	IWTNHUQIBCFQIG-AWEZNQCLSA-N	1	0	429.446	3.245	50	0		IGAARO
O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H]([NH2+]Cc3cc4ccccc4s3)C[C@@H]12	ZINC000014536365	556423723	/nfs/dbraw/zinc/42/37/23/556423723.db2.gz	VFGNKZKIUHDVHZ-IHPCNDPISA-N	1	0	439.968	3.355	50	0		IGAARO
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H]([NH2+]Cc3cc4ccccc4s3)C[C@@H]12	ZINC000014541866	556425921	/nfs/dbraw/zinc/42/59/21/556425921.db2.gz	XJLUKVICRRPZSZ-HSQYWUDLSA-N	1	0	444.560	3.183	50	0		IGAARO
O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@@H](OCc2cccnc2)CN1Cc1ccccc1	ZINC000014733346	556437534	/nfs/dbraw/zinc/43/75/34/556437534.db2.gz	ZOFRSFXWIHTNSD-AREMUKBSSA-N	1	0	427.548	3.479	50	0		IGAARO
COc1cccc(C[N@H+](C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1	ZINC000014733623	556437896	/nfs/dbraw/zinc/43/78/96/556437896.db2.gz	GCVXVDKLNVCERJ-FQEVSTJZSA-N	1	0	440.588	3.009	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000014742404	556439360	/nfs/dbraw/zinc/43/93/60/556439360.db2.gz	MMZGEXBSLLLSJZ-NRFANRHFSA-N	1	0	438.641	3.421	50	0		IGAARO
COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2ccncc2)CC3)cc1	ZINC000014747165	556441508	/nfs/dbraw/zinc/44/15/08/556441508.db2.gz	FAWVCVHEJNBMCV-UHFFFAOYSA-N	1	0	436.556	3.340	50	0		IGAARO
C[NH+]1CCC(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1	ZINC000014889488	556456252	/nfs/dbraw/zinc/45/62/52/556456252.db2.gz	BAIHFLLTAXIERP-UHFFFAOYSA-N	1	0	442.567	3.377	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC	ZINC000014965530	556465373	/nfs/dbraw/zinc/46/53/73/556465373.db2.gz	RVXGUMNZGOZNHA-UHFFFAOYSA-N	1	0	433.980	3.271	50	0		IGAARO
O=C(CCc1ccco1)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000014970966	556467218	/nfs/dbraw/zinc/46/72/18/556467218.db2.gz	JMGCPBQQOHJIHQ-QFIPXVFZSA-N	1	0	427.589	3.318	50	0		IGAARO
COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1	ZINC000015079174	556500224	/nfs/dbraw/zinc/50/02/24/556500224.db2.gz	OQSZXAGZPHZMSR-KRWDZBQOSA-N	1	0	428.495	3.012	50	0		IGAARO
COc1ccc2[nH]cc(CC[NH2+]CC3=NO[C@@H](Cc4cc5c(c(OC)c4)OCO5)C3)c2c1	ZINC000015085776	556502584	/nfs/dbraw/zinc/50/25/84/556502584.db2.gz	KMYXWLPMTTVNRE-IBGZPJMESA-N	1	0	437.496	3.434	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)cc1	ZINC000015387634	556523979	/nfs/dbraw/zinc/52/39/79/556523979.db2.gz	BDGKZCNBXBHPRA-UHFFFAOYSA-N	1	0	445.585	3.490	50	0		IGAARO
Cc1ccc2ccccc2c1C[NH+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1	ZINC000015799889	556552721	/nfs/dbraw/zinc/55/27/21/556552721.db2.gz	LKSXDKWQXODMAS-UHFFFAOYSA-N	1	0	427.504	3.089	50	0		IGAARO
Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)[nH+]1	ZINC000033326815	556561688	/nfs/dbraw/zinc/56/16/88/556561688.db2.gz	BANHBVTVKLYJRX-UHFFFAOYSA-N	1	0	432.528	3.129	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]21	ZINC000015987090	556571246	/nfs/dbraw/zinc/57/12/46/556571246.db2.gz	YDWUWCHVVJCCOH-OYSWMMLKSA-N	1	0	425.488	3.421	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCCO2)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000016019989	556574778	/nfs/dbraw/zinc/57/47/78/556574778.db2.gz	PJVKHLYIIQDCEK-RWWKDMOOSA-N	1	0	449.551	3.033	50	0		IGAARO
CS(=O)(=O)Nc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1Cl	ZINC000060238383	556577936	/nfs/dbraw/zinc/57/79/36/556577936.db2.gz	PBPHAOGFOPLDLC-GOSISDBHSA-N	1	0	435.977	3.496	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[N@@H+]3CCCC[C@H]3C)s2)cc1	ZINC000032987818	556608174	/nfs/dbraw/zinc/60/81/74/556608174.db2.gz	UTLSFYWCKNTMKO-MRXNPFEDSA-N	1	0	445.589	3.112	50	0		IGAARO
COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409415049	556641624	/nfs/dbraw/zinc/64/16/24/556641624.db2.gz	SAHUXLQJUMGPKJ-DENIHFKCSA-N	1	0	440.588	3.398	50	0		IGAARO
O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1	ZINC000033019022	556665803	/nfs/dbraw/zinc/66/58/03/556665803.db2.gz	HDDXZIIHOYJNGV-HXUWFJFHSA-N	1	0	434.588	3.481	50	0		IGAARO
O=C(C=Cc1c[nH]cn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000011935872	556675951	/nfs/dbraw/zinc/67/59/51/556675951.db2.gz	RQGPVUASTCRZHM-LAUDKDLHSA-N	1	0	434.584	3.310	50	0		IGAARO
O=C(CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1	ZINC000045966720	556688742	/nfs/dbraw/zinc/68/87/42/556688742.db2.gz	KPKHPOWYZHIFLL-UHFFFAOYSA-N	1	0	437.437	3.309	50	0		IGAARO
O=C(CCN(C(=O)c1ccc(Br)cc1)C1CCCCCC1)N1CC[NH2+]CC1	ZINC000045966561	556688799	/nfs/dbraw/zinc/68/87/99/556688799.db2.gz	SHQOGGCFPYBMDA-UHFFFAOYSA-N	1	0	436.394	3.436	50	0		IGAARO
COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)s1	ZINC000033032159	556712577	/nfs/dbraw/zinc/71/25/77/556712577.db2.gz	RPZKZGWKACDIEH-UHFFFAOYSA-N	1	0	445.589	3.321	50	0		IGAARO
Cc1cc(C)c(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)c(C)c1	ZINC000005254532	556747598	/nfs/dbraw/zinc/74/75/98/556747598.db2.gz	YBZMOKQQABGGTN-UHFFFAOYSA-N	1	0	428.602	3.340	50	0		IGAARO
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1	ZINC000058085644	556757154	/nfs/dbraw/zinc/75/71/54/556757154.db2.gz	QURGAGVMTURWPX-QFIPXVFZSA-N	1	0	429.586	3.169	50	0		IGAARO
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1	ZINC000058085648	556757174	/nfs/dbraw/zinc/75/71/74/556757174.db2.gz	QURGAGVMTURWPX-JOCHJYFZSA-N	1	0	429.586	3.169	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)N3CCCc4ccccc43)c(=O)c2C1	ZINC000062007143	556765353	/nfs/dbraw/zinc/76/53/53/556765353.db2.gz	FGZWAHKHHAFUMB-UHFFFAOYSA-N	1	0	428.536	3.268	50	0		IGAARO
[NH2+]=C1c2ccccc2CN1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1	ZINC000058161693	556765409	/nfs/dbraw/zinc/76/54/09/556765409.db2.gz	SDMOJJJSALPBIU-QHCPKHFHSA-N	1	0	437.503	3.381	50	0		IGAARO
COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1	ZINC000058244518	556774816	/nfs/dbraw/zinc/77/48/16/556774816.db2.gz	BELOHJPYYWPFEE-UHFFFAOYSA-N	1	0	445.585	3.364	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1	ZINC000058305294	556778872	/nfs/dbraw/zinc/77/88/72/556778872.db2.gz	AYASBKWYUFCMEU-SFHVURJKSA-N	1	0	436.603	3.347	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCNC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1	ZINC000033061972	556817505	/nfs/dbraw/zinc/81/75/05/556817505.db2.gz	RJAQLTNYLMZKPM-HNNXBMFYSA-N	1	0	433.553	3.100	50	0		IGAARO
CC1CC[NH+](CCCNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1	ZINC000004712717	556890388	/nfs/dbraw/zinc/89/03/88/556890388.db2.gz	HBRJMXGVTDGAEO-UHFFFAOYSA-N	1	0	435.634	3.010	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000033252412	556893001	/nfs/dbraw/zinc/89/30/01/556893001.db2.gz	CJDJALPMDRGJQE-UHFFFAOYSA-N	1	0	439.947	3.424	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)CC1	ZINC000033261132	556898819	/nfs/dbraw/zinc/89/88/19/556898819.db2.gz	SRDWLRMKXSEXAC-UHFFFAOYSA-N	1	0	430.556	3.255	50	0		IGAARO
CC[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)c2ccccc2)CC1	ZINC000019796746	556916264	/nfs/dbraw/zinc/91/62/64/556916264.db2.gz	GCAWMSKQYBIXQK-QHCPKHFHSA-N	1	0	434.540	3.459	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)CC1	ZINC000019841837	556929819	/nfs/dbraw/zinc/92/98/19/556929819.db2.gz	UZJBXFNISTUSCH-OAQYLSRUSA-N	1	0	425.577	3.228	50	0		IGAARO
O=C1c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C(=O)N1c1ccc(Cl)cc1	ZINC000019881332	556937401	/nfs/dbraw/zinc/93/74/01/556937401.db2.gz	BKNIHOATAQTPAM-LTGZKZEYSA-N	1	0	425.916	3.180	50	0		IGAARO
CN1CC[NH+](C2(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CCCCC2)CC1	ZINC000020426536	557015497	/nfs/dbraw/zinc/01/54/97/557015497.db2.gz	DSJSBUZSMATFLB-UHFFFAOYSA-N	1	0	444.620	3.391	50	0		IGAARO
COc1cn(CC(=O)Nc2ccc(Br)cc2)c(C[NH+]2CCC(C)CC2)cc1=O	ZINC000017245980	557044362	/nfs/dbraw/zinc/04/43/62/557044362.db2.gz	YCBBUZGPGMLUKA-UHFFFAOYSA-N	1	0	448.361	3.490	50	0		IGAARO
COCC[N@@H+]1CCc2nc(SCc3nc(-c4ccccc4OC)oc3C)[nH]c(=O)c2C1	ZINC000033287175	557064222	/nfs/dbraw/zinc/06/42/22/557064222.db2.gz	RWWBBWYDQMYRCJ-UHFFFAOYSA-N	1	0	442.541	3.451	50	0		IGAARO
CCCCCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2c1=O	ZINC000004791228	557124708	/nfs/dbraw/zinc/12/47/08/557124708.db2.gz	PEBORZDYWDFSMV-UHFFFAOYSA-N	1	0	448.567	3.274	50	0		IGAARO
CC[C@@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)[NH+]1CCCC1	ZINC000024800739	557168047	/nfs/dbraw/zinc/16/80/47/557168047.db2.gz	XSEJLBOCTVDDNI-FQEVSTJZSA-N	1	0	429.586	3.424	50	0		IGAARO
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(-n2ccnc2)nc1	ZINC000024902663	557177667	/nfs/dbraw/zinc/17/76/67/557177667.db2.gz	ZGJXVEYFURZFHW-UHFFFAOYSA-N	1	0	434.506	3.406	50	0		IGAARO
Cc1sc2ncn(CCC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c(=O)c2c1C	ZINC000025384323	557206623	/nfs/dbraw/zinc/20/66/23/557206623.db2.gz	FSJZGZQVEXIGBX-INIZCTEOSA-N	1	0	430.599	3.480	50	0		IGAARO
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CN2C(=O)COc3ccccc32)cc1	ZINC000025521537	557212994	/nfs/dbraw/zinc/21/29/94/557212994.db2.gz	NHWGAZVOYKLLRK-UHFFFAOYSA-N	1	0	429.520	3.457	50	0		IGAARO
CCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1	ZINC000005254548	557310119	/nfs/dbraw/zinc/31/01/19/557310119.db2.gz	LLTBRXRNNLUHLI-UHFFFAOYSA-N	1	0	428.602	3.367	50	0		IGAARO
CCOc1cccc(N2C(=O)C[C@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c1	ZINC000100113769	557314921	/nfs/dbraw/zinc/31/49/21/557314921.db2.gz	NVLMFSVSHANOIV-KROKWJMESA-N	1	0	437.584	3.304	50	0		IGAARO
COc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1	ZINC000019362117	557522078	/nfs/dbraw/zinc/52/20/78/557522078.db2.gz	MYFUTVLROCIXDY-VMPITWQZSA-N	1	0	431.544	3.037	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)CSc1nnnn1-c1c(C)cccc1C)c1ccco1	ZINC000009478393	562971759	/nfs/dbraw/zinc/97/17/59/562971759.db2.gz	DNGPWYNHGUWBHK-KRWDZBQOSA-N	1	0	428.562	3.164	50	0		IGAARO
Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2	ZINC000299796715	568757845	/nfs/dbraw/zinc/75/78/45/568757845.db2.gz	NOCUFQFQQJBIPQ-SFHVURJKSA-N	1	0	430.556	3.150	50	0		IGAARO
O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000001418440	568791048	/nfs/dbraw/zinc/79/10/48/568791048.db2.gz	YBESDERBOYJKTB-NRFANRHFSA-N	1	0	435.528	3.135	50	0		IGAARO
O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000001418439	568791055	/nfs/dbraw/zinc/79/10/55/568791055.db2.gz	YBESDERBOYJKTB-OAQYLSRUSA-N	1	0	435.528	3.135	50	0		IGAARO
O=C(c1csc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1)N1CCCCCC1	ZINC000015729865	568813615	/nfs/dbraw/zinc/81/36/15/568813615.db2.gz	BAYQRRXDTDLLRW-UHFFFAOYSA-N	1	0	439.647	3.403	50	0		IGAARO
CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O	ZINC000242273568	568912555	/nfs/dbraw/zinc/91/25/55/568912555.db2.gz	YDYOORRNCVKOJW-ILWGZMRPSA-N	1	0	435.568	3.465	50	0		IGAARO
C[NH+](C)CCOc1cc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)ccn1	ZINC000089314355	568920706	/nfs/dbraw/zinc/92/07/06/568920706.db2.gz	FUOXQBQWIXOYFT-UHFFFAOYSA-N	1	0	430.455	3.204	50	0		IGAARO
COc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2ccc(F)cc2)cc1	ZINC000036064296	568944876	/nfs/dbraw/zinc/94/48/76/568944876.db2.gz	VEYHUJWZDHRJBA-UHFFFAOYSA-N	1	0	440.519	3.316	50	0		IGAARO
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4nc5ccccc5s4)n3)c(C)n2)CC1	ZINC000036235776	568979362	/nfs/dbraw/zinc/97/93/62/568979362.db2.gz	GBHNYIUAOYVWJN-UHFFFAOYSA-N	1	0	448.556	3.031	50	0		IGAARO
CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1	ZINC000169681213	568992816	/nfs/dbraw/zinc/99/28/16/568992816.db2.gz	MVOWESJFBHSPNS-UHFFFAOYSA-N	1	0	443.551	3.111	50	0		IGAARO
CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1	ZINC000036313380	568998578	/nfs/dbraw/zinc/99/85/78/568998578.db2.gz	XAHATCWPWFVLET-LJQANCHMSA-N	1	0	447.551	3.315	50	0		IGAARO
CCn1c(C)c(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)c2ccccc21	ZINC000065060119	569095773	/nfs/dbraw/zinc/09/57/73/569095773.db2.gz	BLSQFDHFAKOZFR-UHFFFAOYSA-N	1	0	426.605	3.020	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000065061954	569096929	/nfs/dbraw/zinc/09/69/29/569096929.db2.gz	IEMBVVRRECVAHJ-UHFFFAOYSA-N	1	0	436.043	3.040	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)NCCC1=CCCCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153510	569111865	/nfs/dbraw/zinc/11/18/65/569111865.db2.gz	DDNCQLUPGKIVKJ-UHFFFAOYSA-N	1	0	434.584	3.371	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O	ZINC000065172613	569113258	/nfs/dbraw/zinc/11/32/58/569113258.db2.gz	XTXYZAHOUPMUAA-SFHVURJKSA-N	1	0	437.588	3.429	50	0		IGAARO
C[NH+](C)CCn1nnc2cc(-c3noc(Cc4ccc(Br)cc4)n3)ccc21	ZINC000065254994	569122824	/nfs/dbraw/zinc/12/28/24/569122824.db2.gz	ARVMWEPGLRMJNA-UHFFFAOYSA-N	1	0	427.306	3.396	50	0		IGAARO
COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)c(OC)c1	ZINC000065255931	569122973	/nfs/dbraw/zinc/12/29/73/569122973.db2.gz	LFXKLSCUNOWEBE-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000065329576	569136992	/nfs/dbraw/zinc/13/69/92/569136992.db2.gz	GUJCEOWCZVQRBE-UHFFFAOYSA-N	1	0	428.920	3.130	50	0		IGAARO
C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@H](c1ccccc1)[NH+](C)C	ZINC000170606618	569144411	/nfs/dbraw/zinc/14/44/11/569144411.db2.gz	BJDFDRUOCUMSMI-HTAPYJJXSA-N	1	0	438.553	3.304	50	0		IGAARO
C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)[C@H](c1ccccc1)[NH+](C)C	ZINC000170606619	569144421	/nfs/dbraw/zinc/14/44/21/569144421.db2.gz	BJDFDRUOCUMSMI-VGOFRKELSA-N	1	0	438.553	3.304	50	0		IGAARO
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1=O	ZINC000089616893	569159990	/nfs/dbraw/zinc/15/99/90/569159990.db2.gz	LIVHZOVWSRPTJV-FQEVSTJZSA-N	1	0	436.556	3.127	50	0		IGAARO
NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c1	ZINC000089830411	569165574	/nfs/dbraw/zinc/16/55/74/569165574.db2.gz	RXTBAOFFFIRMIN-QHCPKHFHSA-N	1	0	435.549	3.115	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000037523970	569198382	/nfs/dbraw/zinc/19/83/82/569198382.db2.gz	CSRKWIDSKPXGCA-LADGPHEKSA-N	1	0	440.584	3.341	50	0		IGAARO
CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1	ZINC000581820133	569211808	/nfs/dbraw/zinc/21/18/08/569211808.db2.gz	UHKUDDFLEZBXJN-JOCHJYFZSA-N	1	0	438.616	3.277	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002419244	569301697	/nfs/dbraw/zinc/30/16/97/569301697.db2.gz	UVNBHTBTYNDYFU-SUWCGCSTSA-N	1	0	441.409	3.137	50	0		IGAARO
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccn1-c1cccnc1)CC2	ZINC000014749427	569310349	/nfs/dbraw/zinc/31/03/49/569310349.db2.gz	GHKIXRAVWGBKGC-UHFFFAOYSA-N	1	0	443.551	3.344	50	0		IGAARO
COCCCC[NH+]1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1	ZINC000328589962	569316807	/nfs/dbraw/zinc/31/68/07/569316807.db2.gz	OLCZGGIQDYKYHJ-UHFFFAOYSA-N	1	0	446.617	3.114	50	0		IGAARO
COC(=O)COc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1OC	ZINC000328591636	569317093	/nfs/dbraw/zinc/31/70/93/569317093.db2.gz	CFHRJZAISZQVML-QGZVFWFLSA-N	1	0	446.569	3.211	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O	ZINC000020242771	569358274	/nfs/dbraw/zinc/35/82/74/569358274.db2.gz	PNUVDUSBZOJWHL-YTTGMZPUSA-N	1	0	447.560	3.305	50	0		IGAARO
C[C@H](CSCc1ccccc1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000095431011	569366282	/nfs/dbraw/zinc/36/62/82/569366282.db2.gz	YZCOIICUUFCEJB-HXUWFJFHSA-N	1	0	431.646	3.397	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1	ZINC000020508043	569369564	/nfs/dbraw/zinc/36/95/64/569369564.db2.gz	JMVAICMXEKIGAQ-VOQZNFBZSA-N	1	0	441.597	3.276	50	0		IGAARO
O=C(CSCc1ccccc1)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12	ZINC000096024222	569380530	/nfs/dbraw/zinc/38/05/30/569380530.db2.gz	SFVMOTCYCFOCNH-UHFFFAOYSA-N	1	0	436.581	3.042	50	0		IGAARO
COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000225687520	569407192	/nfs/dbraw/zinc/40/71/92/569407192.db2.gz	FAYYNXLAAPBIAF-QFIPXVFZSA-N	1	0	429.520	3.119	50	0		IGAARO
COc1cccc(-n2nc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3c2=O)c1	ZINC000002943295	569426905	/nfs/dbraw/zinc/42/69/05/569426905.db2.gz	KZLBCKYJAKPYJW-UHFFFAOYSA-N	1	0	434.540	3.390	50	0		IGAARO
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2	ZINC000056896313	569427353	/nfs/dbraw/zinc/42/73/53/569427353.db2.gz	JDLCXLZPLQGUPM-QFIPXVFZSA-N	1	0	448.498	3.243	50	0		IGAARO
COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1Cl	ZINC000057414920	569433838	/nfs/dbraw/zinc/43/38/38/569433838.db2.gz	WYJDLZRRNPRTSZ-NRFANRHFSA-N	1	0	446.979	3.071	50	0		IGAARO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc(Br)c1	ZINC000058161583	569449226	/nfs/dbraw/zinc/44/92/26/569449226.db2.gz	SYHWHSVPRXXGOY-KRWDZBQOSA-N	1	0	429.330	3.468	50	0		IGAARO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000003336852	569446649	/nfs/dbraw/zinc/44/66/49/569446649.db2.gz	KXOCDTKYFPIPFJ-NRFANRHFSA-N	1	0	445.585	3.024	50	0		IGAARO
Cc1sc2nc(CS[C@H](C)C(=O)N3CC[NH+](C4CCCC4)CC3)[nH]c(=O)c2c1C	ZINC000040068304	569485095	/nfs/dbraw/zinc/48/50/95/569485095.db2.gz	VKAZJBCMHHMKKM-OAHLLOKOSA-N	1	0	434.631	3.310	50	0		IGAARO
C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(C1CC[NH+](Cc3ccccc3)CC1)C2=O	ZINC000008918171	569486220	/nfs/dbraw/zinc/48/62/20/569486220.db2.gz	MUHQNMKDPXQRIM-MHZLTWQESA-N	1	0	442.563	3.275	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000040146741	569492327	/nfs/dbraw/zinc/49/23/27/569492327.db2.gz	VVTCPASPIBEBPO-SFHVURJKSA-N	1	0	439.597	3.242	50	0		IGAARO
CCC[NH+]1CCC(N(C)C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1	ZINC000040158083	569494449	/nfs/dbraw/zinc/49/44/49/569494449.db2.gz	ILEKIAQDQIAASO-UHFFFAOYSA-N	1	0	448.658	3.429	50	0		IGAARO
COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)n2)cc1	ZINC000009405556	569529909	/nfs/dbraw/zinc/52/99/09/569529909.db2.gz	SPQNNXUWPCPTFF-SFHVURJKSA-N	1	0	441.576	3.342	50	0		IGAARO
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1	ZINC000009603804	569551752	/nfs/dbraw/zinc/55/17/52/569551752.db2.gz	FQPZMIHAEZGCHW-UHFFFAOYSA-N	1	0	446.598	3.063	50	0		IGAARO
CC[NH+](CC)CCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1	ZINC000009841061	569570847	/nfs/dbraw/zinc/57/08/47/569570847.db2.gz	SOMBLLLHQQLUIK-UHFFFAOYSA-N	1	0	440.617	3.190	50	0		IGAARO
C[C@@H]1C[NH+](CCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@@H](C)O1	ZINC000071850951	569582481	/nfs/dbraw/zinc/58/24/81/569582481.db2.gz	JYBVUDKOVSMKME-IAGOWNOFSA-N	1	0	425.558	3.225	50	0		IGAARO
CC(=O)c1ccc(OCC(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1	ZINC000077200559	569586410	/nfs/dbraw/zinc/58/64/10/569586410.db2.gz	QPHJCQCYGINUQC-UHFFFAOYSA-N	1	0	445.523	3.019	50	0		IGAARO
O=C(Cn1ccc2ccccc21)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1	ZINC000077200566	569586416	/nfs/dbraw/zinc/58/64/16/569586416.db2.gz	ZBPUBGOIBKUUPG-UHFFFAOYSA-N	1	0	426.524	3.392	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1	ZINC000009841227	193903659	/nfs/dbraw/zinc/90/36/59/193903659.db2.gz	FUBCHZAUIFRUGT-UHFFFAOYSA-N	1	0	440.617	3.272	50	0		IGAARO
COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)cc1OC	ZINC000004712147	132272961	/nfs/dbraw/zinc/27/29/61/132272961.db2.gz	OVMMGIMELDRFMU-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
Cc1ccc2onc(CNC(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1	ZINC000006866118	132279856	/nfs/dbraw/zinc/27/98/56/132279856.db2.gz	BWLJNVVFFCBWNQ-UHFFFAOYSA-N	1	0	425.508	3.287	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCCC3)cc2)CC1	ZINC000009468552	132318515	/nfs/dbraw/zinc/31/85/15/132318515.db2.gz	ABTIPRONVWIMFL-UHFFFAOYSA-N	1	0	435.616	3.499	50	0		IGAARO
CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1	ZINC000020472293	518421670	/nfs/dbraw/zinc/42/16/70/518421670.db2.gz	BHDGCMHCBHNJBE-XMMPIXPASA-N	1	0	435.568	3.400	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000020519343	519806706	/nfs/dbraw/zinc/80/67/06/519806706.db2.gz	CERVQWSURWLYBL-ORQYLMBXSA-N	1	0	441.890	3.056	50	0		IGAARO
CCCCCCC(=O)N1CCN(c2nc(C[N@H+](CC)Cc3ccccc3)cc(=O)[nH]2)CC1	ZINC000035926516	519953452	/nfs/dbraw/zinc/95/34/52/519953452.db2.gz	XPNCKGRKQPEYSE-UHFFFAOYSA-N	1	0	439.604	3.411	50	0		IGAARO
CCCOc1c(Br)cc(C[NH2+]CCCSc2nnnn2C)cc1OCC	ZINC000040744609	520289928	/nfs/dbraw/zinc/28/99/28/520289928.db2.gz	LVYRXXOJWHPJBK-UHFFFAOYSA-N	1	0	444.399	3.432	50	0		IGAARO
CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2	ZINC000020725709	520494517	/nfs/dbraw/zinc/49/45/17/520494517.db2.gz	FYNOFZYUIFALNV-HSZRJFAPSA-N	1	0	448.633	3.021	50	0		IGAARO
CCOC(=O)C1C(C[NH2+]CCc2ccc(OC)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000012412511	520519463	/nfs/dbraw/zinc/51/94/63/520519463.db2.gz	FPXVTPBQHIQXSO-HSZRJFAPSA-N	1	0	437.540	3.315	50	0		IGAARO
CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc(OCC)c1OCC	ZINC000012844998	520666924	/nfs/dbraw/zinc/66/69/24/520666924.db2.gz	FCAMUOXJJKKZJU-UHFFFAOYSA-N	1	0	428.533	3.282	50	0		IGAARO
CCOc1cc(C[NH2+]CCO)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040741763	520714497	/nfs/dbraw/zinc/71/44/97/520714497.db2.gz	CFORQKHBCVRMHW-UHFFFAOYSA-N	1	0	437.334	3.256	50	0		IGAARO
CC1CCC2(CC1)OC[C@@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccc(C(F)(F)F)cc1	ZINC000035981526	520966840	/nfs/dbraw/zinc/96/68/40/520966840.db2.gz	AZJKQTLQRCUVBV-GFBDMGBSSA-N	1	0	441.494	3.131	50	0		IGAARO
CC[NH+]1CCN(Cn2nc(-c3c[nH]c4ccccc34)n(C[C@@H]3CCCO3)c2=S)CC1	ZINC000022874242	521689507	/nfs/dbraw/zinc/68/95/07/521689507.db2.gz	BHDWVKYFPLOWLY-KRWDZBQOSA-N	1	0	426.590	3.336	50	0		IGAARO
CCS(=O)(=O)c1ncc(CN2CCC[C@H](C[NH+]3CCCC3)C2)n1Cc1ccccc1	ZINC000012299914	521694369	/nfs/dbraw/zinc/69/43/69/521694369.db2.gz	SEUQTQALKGHYES-OAQYLSRUSA-N	1	0	430.618	3.033	50	0		IGAARO
CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1	ZINC000035361571	521870379	/nfs/dbraw/zinc/87/03/79/521870379.db2.gz	JNNFNKRNPILGTH-OAQYLSRUSA-N	1	0	440.613	3.230	50	0		IGAARO
COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc(OC)c1OC	ZINC000012445325	521901553	/nfs/dbraw/zinc/90/15/53/521901553.db2.gz	PXTADWUTFWLFKS-HXUWFJFHSA-N	1	0	444.576	3.179	50	0		IGAARO
COC(=O)c1ccc(-c2noc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)cc1	ZINC000023360960	521929879	/nfs/dbraw/zinc/92/98/79/521929879.db2.gz	ABIDOWRYQHVNRI-QFIPXVFZSA-N	1	0	432.524	3.198	50	0		IGAARO
COc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1	ZINC000012509490	522367768	/nfs/dbraw/zinc/36/77/68/522367768.db2.gz	DGGFRAUEOWUJCT-FQEVSTJZSA-N	1	0	425.529	3.042	50	0		IGAARO
COc1cc(CNCc2cnc(C)cn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012465605	522471375	/nfs/dbraw/zinc/47/13/75/522471375.db2.gz	QXHHVZVUHSKBDS-QFIPXVFZSA-N	1	0	428.577	3.089	50	0		IGAARO
C[N@H+](CCNC(=O)CN1c2ccccc2Sc2ncccc2C1=O)Cc1ccccc1	ZINC000021163426	522846488	/nfs/dbraw/zinc/84/64/88/522846488.db2.gz	KFKDIYWRIWACFA-UHFFFAOYSA-N	1	0	432.549	3.441	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000035459723	523167483	/nfs/dbraw/zinc/16/74/83/523167483.db2.gz	ALRGMQKJPHZNOY-LJQANCHMSA-N	1	0	441.663	3.310	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)n2)cc1	ZINC000035325670	523298205	/nfs/dbraw/zinc/29/82/05/523298205.db2.gz	FVCHPFHJWHOTBV-AZUAARDMSA-N	1	0	441.576	3.200	50	0		IGAARO
CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cn4ccccc4n3)CC2)CC1	ZINC000020454516	523767442	/nfs/dbraw/zinc/76/74/42/523767442.db2.gz	UEMKYCFQVUKPGL-UHFFFAOYSA-N	1	0	446.599	3.178	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1	ZINC000024595800	523925683	/nfs/dbraw/zinc/92/56/83/523925683.db2.gz	BAEAFYWNCXFTNX-UHFFFAOYSA-N	1	0	438.616	3.490	50	0		IGAARO
CCc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC000020776761	523929073	/nfs/dbraw/zinc/92/90/73/523929073.db2.gz	NACKFEXJLPMQNU-LJQANCHMSA-N	1	0	433.556	3.155	50	0		IGAARO
Cc1ccc(C2(c3noc(CN4CCC([N@@H+]5CCNC(=O)CC5)CC4)n3)CCCC2)cc1	ZINC000012744908	524228682	/nfs/dbraw/zinc/22/86/82/524228682.db2.gz	HJAJWXIWEOFVHN-UHFFFAOYSA-N	1	0	437.588	3.024	50	0		IGAARO
Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C(C)C)cc2)c1	ZINC000021534420	524381661	/nfs/dbraw/zinc/38/16/61/524381661.db2.gz	CFVJZRRLAOCWNZ-UHFFFAOYSA-N	1	0	443.613	3.131	50	0		IGAARO
COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[nH]2)C1	ZINC000012438029	524410255	/nfs/dbraw/zinc/41/02/55/524410255.db2.gz	LKORBJRFSMAYOP-IBGZPJMESA-N	1	0	440.588	3.004	50	0		IGAARO
C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]2C(=O)NCCc2nc3ccccc3n2C)CC1	ZINC000012151135	524742390	/nfs/dbraw/zinc/74/23/90/524742390.db2.gz	BJHGOCISGGDAHP-CTNGQTDRSA-N	1	0	431.584	3.360	50	0		IGAARO
C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]2C(=O)NCCc2nc3ccccc3n2C)CC1	ZINC000012151132	524926322	/nfs/dbraw/zinc/92/63/22/524926322.db2.gz	BJHGOCISGGDAHP-PZJWPPBQSA-N	1	0	431.584	3.360	50	0		IGAARO
Cc1cc(NC(=O)c2ccccc2SCC(=O)NC2CC2)ccc1N1CC[NH+](C)CC1	ZINC000012545529	525254067	/nfs/dbraw/zinc/25/40/67/525254067.db2.gz	WJNSHLYQIDCNFU-UHFFFAOYSA-N	1	0	438.597	3.370	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[NH+]3CCCCC3)s2)cc1	ZINC000033011780	525261038	/nfs/dbraw/zinc/26/10/38/525261038.db2.gz	LWADAGQDJXOIKJ-UHFFFAOYSA-N	1	0	433.603	3.183	50	0		IGAARO
C[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21	ZINC000012770182	525308029	/nfs/dbraw/zinc/30/80/29/525308029.db2.gz	OQHPSRZVKNNESK-QYBDOPJKSA-N	1	0	444.535	3.465	50	0		IGAARO
Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698184	525326561	/nfs/dbraw/zinc/32/65/61/525326561.db2.gz	ZLKXXCBZRVDTDX-QFIPXVFZSA-N	1	0	427.932	3.494	50	0		IGAARO
C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O	ZINC000022619663	525613803	/nfs/dbraw/zinc/61/38/03/525613803.db2.gz	TTXIRJUOUJVWDH-OXJNMPFZSA-N	1	0	427.932	3.407	50	0		IGAARO
COc1cccc(-n2c(CNC(=O)c3ccc(C)cc3)nnc2SCC[NH+](C)C)c1	ZINC000012247840	525746253	/nfs/dbraw/zinc/74/62/53/525746253.db2.gz	DCAVTGMDXBRTDK-UHFFFAOYSA-N	1	0	425.558	3.168	50	0		IGAARO
O=C(C1CC[NH+](C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)CC1)N1CCCC1	ZINC000020776816	526303187	/nfs/dbraw/zinc/30/31/87/526303187.db2.gz	PGQHLCVARREASL-UHFFFAOYSA-N	1	0	433.980	3.368	50	0		IGAARO
O=C(CCn1cnc2c3ccccc3[nH]c2c1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000035423890	526681826	/nfs/dbraw/zinc/68/18/26/526681826.db2.gz	UNUNUTDPBHTCHZ-UHFFFAOYSA-N	1	0	429.524	3.049	50	0		IGAARO
O=C(CCn1nc(-c2cccs2)oc1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000012794751	526690250	/nfs/dbraw/zinc/69/02/50/526690250.db2.gz	GZISOBLCKRLOHZ-UHFFFAOYSA-N	1	0	448.548	3.453	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cnccn3)CC2)cc1)N1CCc2ccccc2C1	ZINC000012726977	526698154	/nfs/dbraw/zinc/69/81/54/526698154.db2.gz	IAEDYAOPTUVGBM-UHFFFAOYSA-N	1	0	441.579	3.476	50	0		IGAARO
O=C1CCCc2cc(S(=O)(=O)NCC[N@H+](Cc3ccco3)C3CCCC3)ccc2N1	ZINC000021535853	526984532	/nfs/dbraw/zinc/98/45/32/526984532.db2.gz	FZEXPQGNHUFEEZ-UHFFFAOYSA-N	1	0	431.558	3.278	50	0		IGAARO
O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012279395	526990294	/nfs/dbraw/zinc/99/02/94/526990294.db2.gz	SRRODPDCOZNMTK-XZOQPEGZSA-N	1	0	425.548	3.450	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12	ZINC000020611455	527091390	/nfs/dbraw/zinc/09/13/90/527091390.db2.gz	RYAXDTKARVYBRK-GIRPNKPCSA-N	1	0	443.547	3.373	50	0		IGAARO
O=CN1CCC[N@@H+](C2CCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CC2)CC1	ZINC000012191515	527140104	/nfs/dbraw/zinc/14/01/04/527140104.db2.gz	SXKXLCIVLFKRQU-UHFFFAOYSA-N	1	0	446.595	3.018	50	0		IGAARO
Cc1nccn1CCN(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000012433776	527424617	/nfs/dbraw/zinc/42/46/17/527424617.db2.gz	NBGNGTMJTACRDZ-UHFFFAOYSA-N	1	0	433.556	3.402	50	0		IGAARO
O=C(Nc1ccnn1C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1	ZINC000012210634	527459466	/nfs/dbraw/zinc/45/94/66/527459466.db2.gz	KZQRVMMNPOLWEW-OAQYLSRUSA-N	1	0	437.588	3.160	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2	ZINC000014733530	527541527	/nfs/dbraw/zinc/54/15/27/527541527.db2.gz	YBPCPQRFHPZDSR-OAHLLOKOSA-N	1	0	438.519	3.275	50	0		IGAARO
CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CC[NH+](C)CC3)c2cc1OC	ZINC000002223420	535691865	/nfs/dbraw/zinc/69/18/65/535691865.db2.gz	NPUGNVSQAXDORU-UHFFFAOYSA-N	1	0	438.528	3.473	50	0		IGAARO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCCC2)CC1	ZINC000009671145	535748445	/nfs/dbraw/zinc/74/84/45/535748445.db2.gz	MHWQDIOLMKEYHM-UHFFFAOYSA-N	1	0	448.633	3.132	50	0		IGAARO
C[NH+](C)C1(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCCC1	ZINC000006084715	555507833	/nfs/dbraw/zinc/50/78/33/555507833.db2.gz	NZSFFXAGVGLZGD-UHFFFAOYSA-N	1	0	429.586	3.159	50	0		IGAARO
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2	ZINC000071889583	555725653	/nfs/dbraw/zinc/72/56/53/555725653.db2.gz	XAOROWSZTYBTBJ-QGZVFWFLSA-N	1	0	449.530	3.134	50	0		IGAARO
Cc1cc([C@H]2CC[C@H](C(=O)NCC[NH+](C)C)CN2C(=O)NCc2ccccc2)ccc1F	ZINC000034716051	555865456	/nfs/dbraw/zinc/86/54/56/555865456.db2.gz	AVYHGRKFDBLTID-JTHBVZDNSA-N	1	0	440.563	3.475	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O	ZINC000034811477	555909057	/nfs/dbraw/zinc/90/90/57/555909057.db2.gz	VVOBTQXVVXCWRM-QGZVFWFLSA-N	1	0	443.979	3.187	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C	ZINC000034830519	555911598	/nfs/dbraw/zinc/91/15/98/555911598.db2.gz	VSEKJQQFJQWMRJ-HJPURHCSSA-N	1	0	429.561	3.304	50	0		IGAARO
CC1CCC2(CC1)OC[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)N2C(=O)c1ccc(F)cc1	ZINC000034920341	555931148	/nfs/dbraw/zinc/93/11/48/555931148.db2.gz	QLPCBLWXQZZIOW-LBVATQBMSA-N	1	0	431.552	3.126	50	0		IGAARO
CC1CCC2(CC1)OC[C@@H](C(=O)NCC[NH+]1CCCCC1)N2C(=O)c1ccccc1F	ZINC000034920943	555931552	/nfs/dbraw/zinc/93/15/52/555931552.db2.gz	SUDZIURSWCECGF-VZQLXNMESA-N	1	0	431.552	3.175	50	0		IGAARO
Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000008396308	556163584	/nfs/dbraw/zinc/16/35/84/556163584.db2.gz	CRJCOMPMHJJFJP-ZEQRLZLVSA-O	1	0	445.518	3.216	50	0		IGAARO
Cn1nnnc1SCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1	ZINC000009194395	556254458	/nfs/dbraw/zinc/25/44/58/556254458.db2.gz	CAJXWLPNOKMFEL-UHFFFAOYSA-N	1	0	434.363	3.434	50	0		IGAARO
COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCC(N)=O	ZINC000009225049	556259002	/nfs/dbraw/zinc/25/90/02/556259002.db2.gz	LVBHQJFANWQQSJ-UHFFFAOYSA-N	1	0	432.318	3.135	50	0		IGAARO
COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000013720702	556289732	/nfs/dbraw/zinc/28/97/32/556289732.db2.gz	SHJMLRZSWAAHRC-XMMPIXPASA-N	1	0	447.535	3.288	50	0		IGAARO
COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000013728126	556294287	/nfs/dbraw/zinc/29/42/87/556294287.db2.gz	VBINMBFXBXXOEH-UHFFFAOYSA-N	1	0	425.529	3.123	50	0		IGAARO
COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)c1	ZINC000013941625	556338560	/nfs/dbraw/zinc/33/85/60/556338560.db2.gz	QPJZEVYINXQLFM-LMOLPZMTSA-O	1	0	432.475	3.159	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccc(=O)n(C)n2)CC1	ZINC000011822161	556363309	/nfs/dbraw/zinc/36/33/09/556363309.db2.gz	WVCQHUOXXHAUOI-UHFFFAOYSA-N	1	0	445.567	3.038	50	0		IGAARO
Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n(C)n1	ZINC000011842589	556365761	/nfs/dbraw/zinc/36/57/61/556365761.db2.gz	KVGKHIGFJNKGOC-OAQYLSRUSA-N	1	0	428.552	3.401	50	0		IGAARO
CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)OCCCO2	ZINC000014123635	556372593	/nfs/dbraw/zinc/37/25/93/556372593.db2.gz	ZGVGDFDPMSWGGZ-NRFANRHFSA-N	1	0	443.569	3.422	50	0		IGAARO
O=C(NC1CCCC1)c1ccc(N2CCC([N@@H+]3CCCN(c4ncccn4)CC3)CC2)cc1	ZINC000011913491	556375964	/nfs/dbraw/zinc/37/59/64/556375964.db2.gz	JXHNIZAHQYGENJ-UHFFFAOYSA-N	1	0	448.615	3.330	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)cc1	ZINC000014167484	556380036	/nfs/dbraw/zinc/38/00/36/556380036.db2.gz	VLJUGHLQMSRRKU-UHFFFAOYSA-N	1	0	435.634	3.167	50	0		IGAARO
Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)O2)n(C)n1	ZINC000011997250	556384099	/nfs/dbraw/zinc/38/40/99/556384099.db2.gz	MSGWIQIYXCSWLC-ACRUOGEOSA-N	1	0	426.605	3.464	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)c(C)c1	ZINC000014188575	556387045	/nfs/dbraw/zinc/38/70/45/556387045.db2.gz	FCZVCIBPBQUPEK-UHFFFAOYSA-N	1	0	449.661	3.393	50	0		IGAARO
Cc1ncc2c(c1CNC(=O)C[NH+]1CCCCC1)CCN(C(=O)C1(c3ccccc3)CC1)C2	ZINC000012054427	556393525	/nfs/dbraw/zinc/39/35/25/556393525.db2.gz	JKSVVEZFVQXFEC-UHFFFAOYSA-N	1	0	446.595	3.109	50	0		IGAARO
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccccc1OC)CC2	ZINC000014530988	556420437	/nfs/dbraw/zinc/42/04/37/556420437.db2.gz	BUCQVYLLQWHKAW-UHFFFAOYSA-N	1	0	433.552	3.481	50	0		IGAARO
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc5c(c4)CCO5)CC3)C2=O)cc1	ZINC000014750895	556443384	/nfs/dbraw/zinc/44/33/84/556443384.db2.gz	CGHCKDYKYRZLCO-UHFFFAOYSA-N	1	0	435.524	3.059	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1	ZINC000013096778	556457628	/nfs/dbraw/zinc/45/76/28/556457628.db2.gz	PBNJZGKTWNWGFD-JOCHJYFZSA-N	1	0	429.586	3.284	50	0		IGAARO
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000072282474	556472386	/nfs/dbraw/zinc/47/23/86/556472386.db2.gz	BKCBUFUQWLGRAL-MRXNPFEDSA-N	1	0	439.959	3.087	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1	ZINC000014995173	556477323	/nfs/dbraw/zinc/47/73/23/556477323.db2.gz	ASTCAJVHGLJQCC-HXUWFJFHSA-N	1	0	430.556	3.293	50	0		IGAARO
COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2	ZINC000015070356	556495288	/nfs/dbraw/zinc/49/52/88/556495288.db2.gz	GPDMNBHXPDCFPJ-LJQANCHMSA-N	1	0	449.555	3.342	50	0		IGAARO
CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1	ZINC000015071570	556496298	/nfs/dbraw/zinc/49/62/98/556496298.db2.gz	IDGNEPYWAHGLGG-HSZRJFAPSA-N	1	0	435.568	3.390	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1	ZINC000013164511	556496807	/nfs/dbraw/zinc/49/68/07/556496807.db2.gz	YPXBYWVBUACOKV-UHFFFAOYSA-N	1	0	447.988	3.175	50	0		IGAARO
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CC[NH+](C2CCCCC2)CC1	ZINC000015679179	556543049	/nfs/dbraw/zinc/54/30/49/556543049.db2.gz	LFIWJJPXCAQXRN-UHFFFAOYSA-N	1	0	427.501	3.064	50	0		IGAARO
CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1nn(C)c2nc(C)cc(C)c12	ZINC000072304584	556548742	/nfs/dbraw/zinc/54/87/42/556548742.db2.gz	JDLMSXIBCDNZML-NRFANRHFSA-N	1	0	435.572	3.335	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016012305	556574204	/nfs/dbraw/zinc/57/42/04/556574204.db2.gz	BUWRJERCRJOIAC-IMIIHFCZSA-N	1	0	429.520	3.297	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21	ZINC000016021061	556575013	/nfs/dbraw/zinc/57/50/13/556575013.db2.gz	RFBLFZHETQSHPX-KGYLXKDPSA-N	1	0	441.890	3.056	50	0		IGAARO
O=C(C1CC[NH+](Cc2cccs2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000004725557	556579370	/nfs/dbraw/zinc/57/93/70/556579370.db2.gz	HDYXNGCKLXXSSY-UHFFFAOYSA-N	1	0	427.570	3.033	50	0		IGAARO
CC[N@@H+]1CCC[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)C1	ZINC000032962571	556582016	/nfs/dbraw/zinc/58/20/16/556582016.db2.gz	MEBKMWWVHXORKO-OAQYLSRUSA-N	1	0	428.554	3.075	50	0		IGAARO
CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150930	556594143	/nfs/dbraw/zinc/59/41/43/556594143.db2.gz	OZYYHALFTLIJRG-NRFANRHFSA-N	1	0	431.577	3.422	50	0		IGAARO
Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]Cc4ccc(F)cc4)cc3)cc2n(C)c1=O	ZINC000016363929	556603372	/nfs/dbraw/zinc/60/33/72/556603372.db2.gz	UOELTDKUEDAVTL-DEOSSOPVSA-N	1	0	435.499	3.418	50	0		IGAARO
Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCc4ccccc4)cc3)cc2n(C)c1=O	ZINC000016363925	556603418	/nfs/dbraw/zinc/60/34/18/556603418.db2.gz	KFALAGXYKBVOGG-VWLOTQADSA-N	1	0	431.536	3.322	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCC[N@H+]2CCCC[C@@H]2C)s1	ZINC000032987335	556607390	/nfs/dbraw/zinc/60/73/90/556607390.db2.gz	OOSURDROVNGPBV-INIZCTEOSA-N	1	0	447.630	3.323	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)n[nH]1	ZINC000409413058	556640364	/nfs/dbraw/zinc/64/03/64/556640364.db2.gz	ARKMUCMONBPIJB-GCJKJVERSA-N	1	0	426.561	3.438	50	0		IGAARO
Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]CCc4ccccc4F)cc3)cc2n(C)c1=O	ZINC000040721209	556647137	/nfs/dbraw/zinc/64/71/37/556647137.db2.gz	JUSDBBPVEFVTEX-VWLOTQADSA-N	1	0	449.526	3.461	50	0		IGAARO
Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc12	ZINC000032922049	556647338	/nfs/dbraw/zinc/64/73/38/556647338.db2.gz	XZUSVFACOXWVFX-QGZVFWFLSA-N	1	0	426.524	3.301	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2	ZINC000033015036	556664912	/nfs/dbraw/zinc/66/49/12/556664912.db2.gz	HFSJYKGSYCVNDM-IEGUWTFLSA-N	1	0	433.570	3.269	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000248330384	556680227	/nfs/dbraw/zinc/68/02/27/556680227.db2.gz	FQPBDXQOOCIIQC-PVSQZPHNSA-N	1	0	429.904	3.450	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccc(C)c(C)c5NC4=O)[C@H]3C2=O)cc1C	ZINC000248337541	556681028	/nfs/dbraw/zinc/68/10/28/556681028.db2.gz	QFCXCRVWKIHTAA-BPUGDSSMSA-N	1	0	429.520	3.351	50	0		IGAARO
COC(=O)N1CCN(c2cc[nH+]cc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1	ZINC000253428684	556697378	/nfs/dbraw/zinc/69/73/78/556697378.db2.gz	QXDIIWNHUIHFRW-HNNXBMFYSA-N	1	0	432.908	3.338	50	0		IGAARO
CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000033032832	556713243	/nfs/dbraw/zinc/71/32/43/556713243.db2.gz	LFRPMBUSVSCEQP-UHFFFAOYSA-N	1	0	449.473	3.178	50	0		IGAARO
CCCCN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1	ZINC000033033504	556714435	/nfs/dbraw/zinc/71/44/35/556714435.db2.gz	HTEQUXMJLSZTHL-UHFFFAOYSA-N	1	0	444.601	3.078	50	0		IGAARO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000060344715	556714458	/nfs/dbraw/zinc/71/44/58/556714458.db2.gz	DUMHXHMQRFCZQR-UHFFFAOYSA-N	1	0	440.466	3.237	50	0		IGAARO
Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000060359667	556732032	/nfs/dbraw/zinc/73/20/32/556732032.db2.gz	KOCIFHMGJPGBLR-IBGZPJMESA-N	1	0	428.602	3.408	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cc(C)cc(C)c3)nc1=O)CCC2	ZINC000005254282	556747367	/nfs/dbraw/zinc/74/73/67/556747367.db2.gz	BMSUHZIXHRSGQN-UHFFFAOYSA-N	1	0	428.602	3.421	50	0		IGAARO
CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(N4CCCS4(=O)=O)cc3)c2)CC1	ZINC000058175052	556769123	/nfs/dbraw/zinc/76/91/23/556769123.db2.gz	BVUWPRKHJKCIEQ-UHFFFAOYSA-N	1	0	441.597	3.388	50	0		IGAARO
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)c12	ZINC000059580180	556802620	/nfs/dbraw/zinc/80/26/20/556802620.db2.gz	HYQYBHPACBPADN-UHFFFAOYSA-N	1	0	446.599	3.486	50	0		IGAARO
Cc1cccn2c(C[NH2+]C[C@H]3CCCN(c4ncccn4)C3)c(C(=O)N3CCCCC3)nc12	ZINC000019594857	556830408	/nfs/dbraw/zinc/83/04/08/556830408.db2.gz	HXOMVYQILSIEEA-HXUWFJFHSA-N	1	0	447.587	3.065	50	0		IGAARO
C[C@@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCCCC1	ZINC000033254533	556890846	/nfs/dbraw/zinc/89/08/46/556890846.db2.gz	XEFNJJBOSBRIPX-FQEVSTJZSA-N	1	0	435.634	3.248	50	0		IGAARO
Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)[nH+]1	ZINC000072117353	556898189	/nfs/dbraw/zinc/89/81/89/556898189.db2.gz	NAUZOEAHPKCCAQ-UHFFFAOYSA-N	1	0	429.952	3.156	50	0		IGAARO
O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1N1CC[NH2+]CC1)c1ccc(Cl)cc1	ZINC000019811274	556919094	/nfs/dbraw/zinc/91/90/94/556919094.db2.gz	IRCARNCHRGIKND-VXKWHMMOSA-N	1	0	427.957	3.473	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O	ZINC000019881317	556937370	/nfs/dbraw/zinc/93/73/70/556937370.db2.gz	JCXABLFQZDFOLD-QFGIDJEJSA-N	1	0	435.524	3.306	50	0		IGAARO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1	ZINC000019884347	556938360	/nfs/dbraw/zinc/93/83/60/556938360.db2.gz	SAYCNTJYNINOMG-LJQANCHMSA-N	1	0	425.602	3.499	50	0		IGAARO
CC[NH+]1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000023086556	556997540	/nfs/dbraw/zinc/99/75/40/556997540.db2.gz	ZTFSBISBJDQONK-HSZRJFAPSA-N	1	0	425.504	3.370	50	0		IGAARO
O=C(NCC1CC[NH+](Cc2ccco2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000023127486	557011870	/nfs/dbraw/zinc/01/18/70/557011870.db2.gz	LARMHBOTCSPDDQ-UHFFFAOYSA-N	1	0	425.407	3.145	50	0		IGAARO
Cc1noc(C2CCN(CC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)n1	ZINC000072019752	557021107	/nfs/dbraw/zinc/02/11/07/557021107.db2.gz	BSOQFXPFQSRZLP-HXUWFJFHSA-N	1	0	431.968	3.164	50	0		IGAARO
O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000017252124	557043131	/nfs/dbraw/zinc/04/31/31/557043131.db2.gz	HESLSHZMPTWVNM-XMMPIXPASA-N	1	0	445.563	3.371	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1	ZINC000033307083	557086054	/nfs/dbraw/zinc/08/60/54/557086054.db2.gz	PYVPUJSADVPASN-GOSISDBHSA-N	1	0	426.542	3.475	50	0		IGAARO
CC1CC[NH+](CCNS(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1	ZINC000033307023	557086067	/nfs/dbraw/zinc/08/60/67/557086067.db2.gz	AZLWBUGSKGICRI-UHFFFAOYSA-N	1	0	426.542	3.414	50	0		IGAARO
CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+]CCOc3ccccc3OC)nc(=O)c2c1C	ZINC000023466508	557093119	/nfs/dbraw/zinc/09/31/19/557093119.db2.gz	FKMGCINHNWQCQZ-ZDUSSCGKSA-N	1	0	431.514	3.208	50	0		IGAARO
Cc1ccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000049400886	557096683	/nfs/dbraw/zinc/09/66/83/557096683.db2.gz	AYWRALXUJVEJRV-IBGZPJMESA-N	1	0	430.552	3.296	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)CCNC(=O)c1ccccc1Cl)[NH+]1CCCC1	ZINC000024764293	557164972	/nfs/dbraw/zinc/16/49/72/557164972.db2.gz	MWHYSQOAXWNAGG-FQEVSTJZSA-N	1	0	429.948	3.422	50	0		IGAARO
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000025331275	557204614	/nfs/dbraw/zinc/20/46/14/557204614.db2.gz	QWTVEOGXFMZWFF-OAHLLOKOSA-N	1	0	440.495	3.173	50	0		IGAARO
CCCCn1c(C[NH2+]CCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	ZINC000025571358	557215090	/nfs/dbraw/zinc/21/50/90/557215090.db2.gz	LZDCSTIUXMOPKB-UHFFFAOYSA-N	1	0	449.530	3.206	50	0		IGAARO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000026299386	557238750	/nfs/dbraw/zinc/23/87/50/557238750.db2.gz	WGDYMXAVYKISAG-PGRDOPGGSA-N	1	0	447.539	3.395	50	0		IGAARO
O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000101407531	557284089	/nfs/dbraw/zinc/28/40/89/557284089.db2.gz	ULNIQDJXZKTEOX-UHFFFAOYSA-N	1	0	449.526	3.365	50	0		IGAARO
Cc1nc2ccccc2n(CCC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1=O	ZINC000033005300	557322250	/nfs/dbraw/zinc/32/22/50/557322250.db2.gz	RSDDPWGJUFGRNB-UHFFFAOYSA-N	1	0	432.568	3.166	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccs1	ZINC000024715341	557332308	/nfs/dbraw/zinc/33/23/08/557332308.db2.gz	UGEYEVUHUOBGJQ-ZRNYNZGJSA-N	1	0	447.626	3.180	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1	ZINC000033307086	557333499	/nfs/dbraw/zinc/33/34/99/557333499.db2.gz	PYVPUJSADVPASN-SFHVURJKSA-N	1	0	426.542	3.475	50	0		IGAARO
Cc1nc2ncnn2c(N2CCN(CC[NH+](C(C)C)C(C)C)CC2)c1Cc1ccccc1	ZINC000023329731	557339382	/nfs/dbraw/zinc/33/93/82/557339382.db2.gz	SZLAMSSIMLSQGF-UHFFFAOYSA-N	1	0	435.620	3.264	50	0		IGAARO
CN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1)C1CC[NH+](C)CC1	ZINC000037524319	557346936	/nfs/dbraw/zinc/34/69/36/557346936.db2.gz	SAQNZGXYNQVFSW-UHFFFAOYSA-N	1	0	440.613	3.313	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2OC)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000247869332	557367917	/nfs/dbraw/zinc/36/79/17/557367917.db2.gz	YYCRONDSBPKGJX-GGAORHGYSA-N	1	0	444.547	3.171	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)CCN1C(=O)CSc2ccccc21)[NH+]1CCCC1	ZINC000023795086	557375607	/nfs/dbraw/zinc/37/56/07/557375607.db2.gz	MDJMFQYKFMMNCJ-FQEVSTJZSA-N	1	0	439.581	3.477	50	0		IGAARO
CCCC[NH+](CCCC)CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O	ZINC000004916426	557404303	/nfs/dbraw/zinc/40/43/03/557404303.db2.gz	VRNJIPBACRZKKZ-UHFFFAOYSA-N	1	0	425.577	3.297	50	0		IGAARO
COC(=O)C1CC[NH+](CCCN2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)CC1	ZINC000225733856	557770214	/nfs/dbraw/zinc/77/02/14/557770214.db2.gz	ZNBRYZTZFKNNQN-FCHUYYIVSA-N	1	0	445.604	3.254	50	0		IGAARO
CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000229969034	557834393	/nfs/dbraw/zinc/83/43/93/557834393.db2.gz	VXZVDOIXGKLBDR-JXALWOEJSA-N	1	0	431.577	3.039	50	0		IGAARO
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(C(=O)OC)cc2)CC1	ZINC000008931743	562966184	/nfs/dbraw/zinc/96/61/84/562966184.db2.gz	AYDVONBOMHRHRK-UHFFFAOYSA-N	1	0	438.524	3.399	50	0		IGAARO
CCc1cc2c(cc3c(=O)n(CC(=O)NCCC[NH+]4CCCCCC4)nc(CC)n23)s1	ZINC000015943762	563020025	/nfs/dbraw/zinc/02/00/25/563020025.db2.gz	RWMVDXZGKJPUHS-UHFFFAOYSA-N	1	0	443.617	3.218	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12	ZINC000020136308	563023788	/nfs/dbraw/zinc/02/37/88/563023788.db2.gz	QNZHITKEQLAKNG-UHFFFAOYSA-N	1	0	425.577	3.176	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)CC1	ZINC000020183126	563023946	/nfs/dbraw/zinc/02/39/46/563023946.db2.gz	LKUQXHDQVMSYFJ-UHFFFAOYSA-N	1	0	440.661	3.457	50	0		IGAARO
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1[nH]c2=O	ZINC000020216333	563024072	/nfs/dbraw/zinc/02/40/72/563024072.db2.gz	KXALALDAIOFHLX-UHFFFAOYSA-N	1	0	446.576	3.290	50	0		IGAARO
COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1	ZINC000247721538	568631926	/nfs/dbraw/zinc/63/19/26/568631926.db2.gz	AVVNLOCHSQYZBN-FQEVSTJZSA-N	1	0	447.583	3.143	50	0		IGAARO
CC[N@H+](CCn1cccn1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000015076550	568636075	/nfs/dbraw/zinc/63/60/75/568636075.db2.gz	MMQQIUGHALMLKQ-HSZRJFAPSA-N	1	0	444.620	3.420	50	0		IGAARO
COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCSCC1)C3	ZINC000299767624	568756386	/nfs/dbraw/zinc/75/63/86/568756386.db2.gz	IHNCIRVDGUNNNE-INIZCTEOSA-N	1	0	427.595	3.421	50	0		IGAARO
Cc1nn(C)cc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1	ZINC000299769303	568756674	/nfs/dbraw/zinc/75/66/74/568756674.db2.gz	WMDQLFFWLLDOCL-QLUGYHCRSA-N	1	0	447.627	3.188	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C	ZINC000263587286	568760460	/nfs/dbraw/zinc/76/04/60/568760460.db2.gz	FEXUYIURTHKPTA-ICSRJNTNSA-N	1	0	428.577	3.215	50	0		IGAARO
CCOC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CCN(Cc1ccccc1)C2	ZINC000015823486	568840189	/nfs/dbraw/zinc/84/01/89/568840189.db2.gz	VIGIDFPPLVUXHQ-UHFFFAOYSA-N	1	0	428.510	3.310	50	0		IGAARO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@@H]23)C1O	ZINC000245325925	568914985	/nfs/dbraw/zinc/91/49/85/568914985.db2.gz	HTVROKSUZNDXQZ-MVJPYGJCSA-N	1	0	442.874	3.323	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000008351395	568940148	/nfs/dbraw/zinc/94/01/48/568940148.db2.gz	AYOFAACBIZSLQN-INIZCTEOSA-N	1	0	427.998	3.119	50	0		IGAARO
COc1cc(-c2noc([C@H]([NH2+]C[C@H](O)COCC(C)C)C(C)C)n2)cc(OC)c1OC	ZINC000036160549	568967484	/nfs/dbraw/zinc/96/74/84/568967484.db2.gz	HBBWLOWJFIBYLK-QFBILLFUSA-N	1	0	437.537	3.083	50	0		IGAARO
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCC[NH+]1CCCCCC1	ZINC000065062032	569096920	/nfs/dbraw/zinc/09/69/20/569096920.db2.gz	HFSUHDKLBHESFZ-UHFFFAOYSA-N	1	0	448.054	3.185	50	0		IGAARO
C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000036394356	569098851	/nfs/dbraw/zinc/09/88/51/569098851.db2.gz	LLIRIZDBEXDFMU-UZLBHIALSA-N	1	0	444.373	3.348	50	0		IGAARO
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCC2)cc1	ZINC000065074723	569099020	/nfs/dbraw/zinc/09/90/20/569099020.db2.gz	BEWFEQOIOMJGSY-UHFFFAOYSA-N	1	0	446.661	3.431	50	0		IGAARO
CCOc1ccccc1NC(=O)Cn1c(CC)nc2c(c1=O)C[N@H+](Cc1ccccc1)CC2	ZINC000065153537	569112005	/nfs/dbraw/zinc/11/20/05/569112005.db2.gz	LOHGGHULPKFMTM-UHFFFAOYSA-N	1	0	446.551	3.401	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1F)C[N@H+](Cc1ccccc1)CC2	ZINC000065153589	569112090	/nfs/dbraw/zinc/11/20/90/569112090.db2.gz	HHFDXWKFZPRHNI-UHFFFAOYSA-N	1	0	434.515	3.450	50	0		IGAARO
O=C(C1CCN(c2cncnc2N2CCCCC2)CC1)N1CC[NH+](C2CCCCC2)CC1	ZINC000065226537	569117880	/nfs/dbraw/zinc/11/78/80/569117880.db2.gz	CPUHMEMTKGHCDG-UHFFFAOYSA-N	1	0	440.636	3.160	50	0		IGAARO
Cn1c(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)nc2ccccc21	ZINC000065256346	569123358	/nfs/dbraw/zinc/12/33/58/569123358.db2.gz	KMCMUUQBMPXRQP-OAQYLSRUSA-N	1	0	426.524	3.049	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2NC(C)=O	ZINC000524729626	569126322	/nfs/dbraw/zinc/12/63/22/569126322.db2.gz	AQUBXGJSVHNJCT-NZQKXSOJSA-N	1	0	440.588	3.339	50	0		IGAARO
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000036875440	569138570	/nfs/dbraw/zinc/13/85/70/569138570.db2.gz	YXALRGVIQSMXTB-RPBOFIJWSA-N	1	0	427.548	3.418	50	0		IGAARO
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000037178494	569140555	/nfs/dbraw/zinc/14/05/55/569140555.db2.gz	CRMWMMQWNBTVLD-RXVVDRJESA-N	1	0	445.585	3.410	50	0		IGAARO
COC(=O)c1cc(Cl)c(Br)cc1N1CCC(C[NH+]2CCOCC2)CC1	ZINC000170601992	569143137	/nfs/dbraw/zinc/14/31/37/569143137.db2.gz	SOONTOUOROHWBW-UHFFFAOYSA-N	1	0	431.758	3.438	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000252016303	569172183	/nfs/dbraw/zinc/17/21/83/569172183.db2.gz	VSEDSEJRMWHEJN-JYEBCORGSA-N	1	0	429.520	3.297	50	0		IGAARO
Fc1ccc(-n2c(C[NH+]3CCC(n4cncn4)CC3)csc2=NC[C@@H]2CCCO2)cc1	ZINC000252504404	569188211	/nfs/dbraw/zinc/18/82/11/569188211.db2.gz	AVFDVBHFPLFAQT-NRFANRHFSA-N	1	0	442.564	3.186	50	0		IGAARO
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2nc[nH]n2)c1	ZINC000252511388	569188712	/nfs/dbraw/zinc/18/87/12/569188712.db2.gz	GHCKXYCOYPZDMC-VAMGGRTRSA-N	1	0	427.549	3.366	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)CCN2C(=O)CSc3ccccc32)[NH+]2CCCC2)c1	ZINC000027341633	569190816	/nfs/dbraw/zinc/19/08/16/569190816.db2.gz	WMNMZKUJMKOMON-OAQYLSRUSA-N	1	0	439.581	3.477	50	0		IGAARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000007686711	569197445	/nfs/dbraw/zinc/19/74/45/569197445.db2.gz	SSRBMVWQBHRMMZ-JOCHJYFZSA-N	1	0	427.570	3.038	50	0		IGAARO
CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1	ZINC000581819695	569211479	/nfs/dbraw/zinc/21/14/79/569211479.db2.gz	CGYMMWMFYAOCFW-QHCPKHFHSA-N	1	0	431.596	3.182	50	0		IGAARO
CCn1cc(CC[NH+]2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)c2cccnc21	ZINC000065165027	569263069	/nfs/dbraw/zinc/26/30/69/569263069.db2.gz	PGMOKLCXKUZMDR-UHFFFAOYSA-N	1	0	446.599	3.055	50	0		IGAARO
Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CC[NH2+]C2)c1	ZINC000230816037	569285029	/nfs/dbraw/zinc/28/50/29/569285029.db2.gz	NMFIXEFNQPDISY-ZDUSSCGKSA-N	1	0	441.513	3.017	50	0	in-vitro	IGAARO
COc1ccc(-n2c(SCC[NH+](C)C)nc3sc4c(c3c2=O)CCN(C)C4)cc1	ZINC000002411380	569300890	/nfs/dbraw/zinc/30/08/90/569300890.db2.gz	DAHCREYMKKTPCS-UHFFFAOYSA-N	1	0	430.599	3.097	50	0		IGAARO
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCC(=O)N3CCc4sccc4C3)CC2)C[C@H](C)O1	ZINC000079022401	569322558	/nfs/dbraw/zinc/32/25/58/569322558.db2.gz	XIOCDFYSLPYOEZ-KDURUIRLSA-N	1	0	447.645	3.151	50	0		IGAARO
O=S(=O)(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1C(F)(F)F	ZINC000095469239	569371368	/nfs/dbraw/zinc/37/13/68/569371368.db2.gz	LWMSKDDXIMTHSN-KRWDZBQOSA-N	1	0	446.466	3.280	50	0		IGAARO
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000095995536	569378602	/nfs/dbraw/zinc/37/86/02/569378602.db2.gz	PIAUIOSBDHZARI-AZUAARDMSA-N	1	0	437.606	3.254	50	0		IGAARO
O=C(CCSc1ccccc1)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12	ZINC000096024230	569380575	/nfs/dbraw/zinc/38/05/75/569380575.db2.gz	NFHPPONARFITTH-UHFFFAOYSA-N	1	0	436.581	3.291	50	0		IGAARO
COc1ccc(-c2nnc(-c3cccnc3N3CCN(C4CC[NH+](C)CC4)CC3)o2)cc1	ZINC000096339070	569396757	/nfs/dbraw/zinc/39/67/57/569396757.db2.gz	UTWOLCNOXHPXJL-UHFFFAOYSA-N	1	0	434.544	3.023	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1	ZINC000096822525	569402465	/nfs/dbraw/zinc/40/24/65/569402465.db2.gz	QMTCXFGOXNHQPY-QXMHVHEDSA-N	1	0	432.568	3.329	50	0		IGAARO
Cc1ccc(Oc2cccc(C(=O)NCCNc3cc(N4CCCC4)nc(C)[nH+]3)c2)nn1	ZINC000056906681	569427507	/nfs/dbraw/zinc/42/75/07/569427507.db2.gz	CCJDPUAIIXHIRK-UHFFFAOYSA-N	1	0	433.516	3.118	50	0		IGAARO
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1	ZINC000057315409	569430874	/nfs/dbraw/zinc/43/08/74/569430874.db2.gz	FQHKHTMTKHNDHD-KRWDZBQOSA-N	1	0	431.558	3.159	50	0		IGAARO
C[NH+](C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1	ZINC000029954471	569439810	/nfs/dbraw/zinc/43/98/10/569439810.db2.gz	BJCNFIQCXQSZOV-APWZRJJASA-N	1	0	430.346	3.221	50	0		IGAARO
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1	ZINC000670467089	569462255	/nfs/dbraw/zinc/46/22/55/569462255.db2.gz	OLTYRHNZBNLRQZ-HNNXBMFYSA-N	1	0	427.854	3.126	50	0		IGAARO
COC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1	ZINC000067285583	569466889	/nfs/dbraw/zinc/46/68/89/569466889.db2.gz	PRQJMXPKNJQVDI-OAQYLSRUSA-N	1	0	446.979	3.071	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)c1ccsc1	ZINC000040121718	569489543	/nfs/dbraw/zinc/48/95/43/569489543.db2.gz	PWDLXGGQDYFQGO-HXUWFJFHSA-N	1	0	430.574	3.425	50	0		IGAARO
CSc1ncc(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)n1-c1ccccc1	ZINC000040152048	569493352	/nfs/dbraw/zinc/49/33/52/569493352.db2.gz	BNNOWCOTFQIKKZ-UHFFFAOYSA-N	1	0	436.585	3.061	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1	ZINC000040154253	569493757	/nfs/dbraw/zinc/49/37/57/569493757.db2.gz	PBROKNQRNLRGII-WIYYLYMNSA-N	1	0	447.626	3.115	50	0		IGAARO
O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCC1CC[NH+](Cc2ccccc2F)CC1	ZINC000009211347	569511749	/nfs/dbraw/zinc/51/17/49/569511749.db2.gz	WTEOFVGMGPZQHA-UHFFFAOYSA-N	1	0	447.514	3.045	50	0		IGAARO
COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2O)cc1	ZINC000009410854	569531454	/nfs/dbraw/zinc/53/14/54/569531454.db2.gz	BZSQZUISUBVRKG-UHFFFAOYSA-N	1	0	436.512	3.034	50	0		IGAARO
C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000009602173	569551652	/nfs/dbraw/zinc/55/16/52/569551652.db2.gz	OTCOJLVCPCGXDR-KRWDZBQOSA-N	1	0	427.545	3.461	50	0		IGAARO
COC(=O)c1sc(NC(=O)CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C(=O)OC)c1C	ZINC000009957593	569574817	/nfs/dbraw/zinc/57/48/17/569574817.db2.gz	OUNBWQSOXFSIIZ-NSHDSACASA-N	1	0	436.452	3.233	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCCO2)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1	ZINC000077200572	569586405	/nfs/dbraw/zinc/58/64/05/569586405.db2.gz	NYLMHVLQSTUMES-UHFFFAOYSA-N	1	0	446.511	3.214	50	0		IGAARO
COc1ccc(/C=C/C(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1	ZINC000077200557	569586464	/nfs/dbraw/zinc/58/64/64/569586464.db2.gz	FGBBARRUBQKWJY-FMIVXFBMSA-N	1	0	429.524	3.459	50	0		IGAARO
Cc1cc(C)c2c(n1)SCC(=O)N2CCCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000006802952	132279134	/nfs/dbraw/zinc/27/91/34/132279134.db2.gz	AEEOZODJSAJFSI-IAGOWNOFSA-N	1	0	432.634	3.402	50	0		IGAARO
Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Cn2cc3c(n2)CCCCC3)CC1	ZINC000008933582	132298273	/nfs/dbraw/zinc/29/82/73/132298273.db2.gz	HIVGOCFQFXVFMF-UHFFFAOYSA-N	1	0	444.023	3.442	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1cccc(Cl)c1)C2	ZINC000014748572	519534421	/nfs/dbraw/zinc/53/44/21/519534421.db2.gz	WXILDINJHPNUPJ-FQEVSTJZSA-N	1	0	445.007	3.355	50	0		IGAARO
CC(C)[N@H+](CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1	ZINC000020583706	519643543	/nfs/dbraw/zinc/64/35/43/519643543.db2.gz	JNSBSGIAUCVMHE-UHFFFAOYSA-N	1	0	446.598	3.077	50	0		IGAARO
CC(C)[C@@H]1CC[C@H](C)[C@@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000022032374	519803402	/nfs/dbraw/zinc/80/34/02/519803402.db2.gz	KFATVLPNODVFKD-BQUSRXHISA-N	1	0	432.605	3.371	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12	ZINC000020519345	519828380	/nfs/dbraw/zinc/82/83/80/519828380.db2.gz	CERVQWSURWLYBL-OVCNXMPXSA-N	1	0	441.890	3.056	50	0		IGAARO
CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(OC)cc3OC)s2)CC1	ZINC000021880798	519861008	/nfs/dbraw/zinc/86/10/08/519861008.db2.gz	KGLUBOAAMFFTDG-UHFFFAOYSA-N	1	0	442.589	3.490	50	0		IGAARO
CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000035991117	520515620	/nfs/dbraw/zinc/51/56/20/520515620.db2.gz	GPGKSUUVTBMWDR-JOCHJYFZSA-N	1	0	442.604	3.135	50	0		IGAARO
CCOc1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)ccc1O	ZINC000020916873	520700424	/nfs/dbraw/zinc/70/04/24/520700424.db2.gz	XYSOBJFHFCBAGW-QFIPXVFZSA-N	1	0	428.573	3.485	50	0		IGAARO
CCC[NH+](CCC)CCCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O	ZINC000020574654	521645305	/nfs/dbraw/zinc/64/53/05/521645305.db2.gz	WWMZHNSHZXTINU-UHFFFAOYSA-N	1	0	443.523	3.209	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2C)CC1	ZINC000012521713	521699374	/nfs/dbraw/zinc/69/93/74/521699374.db2.gz	FOPKMTVWEFVKDB-LJQANCHMSA-N	1	0	436.556	3.137	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1	ZINC000034760939	521784359	/nfs/dbraw/zinc/78/43/59/521784359.db2.gz	UOZSCHFCDUQOHZ-UYRXBGFRSA-N	1	0	427.501	3.354	50	0		IGAARO
COc1cc(C[NH+]2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc(OC)c1	ZINC000012100040	522367881	/nfs/dbraw/zinc/36/78/81/522367881.db2.gz	FTRNQFGMMUEVCY-VWLOTQADSA-N	1	0	437.540	3.127	50	0		IGAARO
CCc1nn(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21	ZINC000020384052	522702488	/nfs/dbraw/zinc/70/24/88/522702488.db2.gz	RSWLNRVWQFPZCI-UHFFFAOYSA-N	1	0	449.580	3.054	50	0		IGAARO
C[N@H+](CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)C1CCCCC1	ZINC000020682578	522759541	/nfs/dbraw/zinc/75/95/41/522759541.db2.gz	YEGRAMJQEFBJJU-HSZRJFAPSA-N	1	0	437.588	3.174	50	0		IGAARO
COc1cc2nc(CN3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)[nH]c(=O)c2cc1OC	ZINC000022834917	523064677	/nfs/dbraw/zinc/06/46/77/523064677.db2.gz	QKXXWAGTVCBRNQ-UHFFFAOYSA-N	1	0	436.556	3.382	50	0		IGAARO
COc1cc2ncn(CN3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c(=O)c2cc1OC	ZINC000022096231	523070571	/nfs/dbraw/zinc/07/05/71/523070571.db2.gz	LZIVWVCGQOLVPX-UHFFFAOYSA-N	1	0	436.556	3.312	50	0		IGAARO
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2ccccc2O1	ZINC000020902394	523393015	/nfs/dbraw/zinc/39/30/15/523393015.db2.gz	MLEXSWFDFCVMLO-OAQYLSRUSA-N	1	0	442.604	3.488	50	0		IGAARO
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)CC2	ZINC000014538150	523437003	/nfs/dbraw/zinc/43/70/03/523437003.db2.gz	LZHMRHOTZOIKNJ-AWEZNQCLSA-N	1	0	432.446	3.350	50	0		IGAARO
C[NH+]1CCC(NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1	ZINC000012279140	523775437	/nfs/dbraw/zinc/77/54/37/523775437.db2.gz	BMKWERZXZGQBDL-UHFFFAOYSA-N	1	0	428.540	3.129	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000035398026	524106746	/nfs/dbraw/zinc/10/67/46/524106746.db2.gz	ZCTLIGVDZHXLPJ-UYAOXDASSA-N	1	0	425.552	3.490	50	0		IGAARO
Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3cccc(C[NH+]4CCSCC4)c3)cc2n1	ZINC000012181859	524565742	/nfs/dbraw/zinc/56/57/42/524565742.db2.gz	XQNZXPJNMCQAJC-SFHVURJKSA-N	1	0	439.585	3.092	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC[NH+](C(C)C)CC3)c2)cc1	ZINC000012758817	524694233	/nfs/dbraw/zinc/69/42/33/524694233.db2.gz	MDPSZCPZOXOANI-UHFFFAOYSA-N	1	0	431.558	3.099	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C)[NH+]1CCCC1	ZINC000012800563	524732203	/nfs/dbraw/zinc/73/22/03/524732203.db2.gz	UPMOGCNDHWIMDK-RDGATRHJSA-N	1	0	437.584	3.332	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[NH+]4CCCCC4)CC3)[nH]c2c1	ZINC000035454089	525620881	/nfs/dbraw/zinc/62/08/81/525620881.db2.gz	FSSPRDULXSIHAL-UHFFFAOYSA-N	1	0	440.588	3.411	50	0		IGAARO
Cc1ccc2nc(C[NH+](Cc3cc(=O)n4cc(C)ccc4n3)[C@@H](C)C3CC3)cc(=O)n2c1	ZINC000012815113	526245769	/nfs/dbraw/zinc/24/57/69/526245769.db2.gz	GBFIXNCKJAVPOT-SFHVURJKSA-N	1	0	429.524	3.120	50	0		IGAARO
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC[NH+]1CCCCC1	ZINC000035459807	526366492	/nfs/dbraw/zinc/36/64/92/526366492.db2.gz	MVUYCYRPJMHOMG-UHFFFAOYSA-N	1	0	448.054	3.185	50	0		IGAARO
O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCC[N@@H+]1CCc2ccccc2C1	ZINC000035404222	526725135	/nfs/dbraw/zinc/72/51/35/526725135.db2.gz	IAYIZETUVNPFHI-UHFFFAOYSA-N	1	0	441.579	3.136	50	0		IGAARO
Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)s1	ZINC000020541066	527253031	/nfs/dbraw/zinc/25/30/31/527253031.db2.gz	CPAPAOHOHMZNND-UHFFFAOYSA-N	1	0	425.514	3.466	50	0		IGAARO
O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@@H+](Cc2ccc(O)cc2)C1	ZINC000014744746	527272783	/nfs/dbraw/zinc/27/27/83/527272783.db2.gz	DLGRTFMXKNTXKB-LEWJYISDSA-N	1	0	433.552	3.236	50	0		IGAARO
O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1cccc(-c3ccco3)c1)CC2	ZINC000012280758	527282054	/nfs/dbraw/zinc/28/20/54/527282054.db2.gz	CVNOGGHATRDTOU-UHFFFAOYSA-N	1	0	441.535	3.455	50	0		IGAARO
Cn1cnnc1Sc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)o1	ZINC000022914546	527529511	/nfs/dbraw/zinc/52/95/11/527529511.db2.gz	KADIWMMZSIGWCK-HXUWFJFHSA-N	1	0	438.601	3.346	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1	ZINC000040744510	527580341	/nfs/dbraw/zinc/58/03/41/527580341.db2.gz	KRGXEWPPRMPARY-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)[C@H](C)CO3)CC1	ZINC000046159054	555798142	/nfs/dbraw/zinc/79/81/42/555798142.db2.gz	QSMOJRSXTBXZLA-OAQYLSRUSA-N	1	0	436.600	3.150	50	0		IGAARO
CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NCC	ZINC000034835792	555913938	/nfs/dbraw/zinc/91/39/38/555913938.db2.gz	NHKDVVHRNUMTMK-UHFFFAOYSA-N	1	0	430.572	3.403	50	0		IGAARO
COc1ccc(CC[NH2+]Cc2ccc(OCC(=O)NC(C)(C)C)c(OC)c2)cc1OC	ZINC000006882448	556108583	/nfs/dbraw/zinc/10/85/83/556108583.db2.gz	JJCCZSNKHSEHMA-UHFFFAOYSA-N	1	0	430.545	3.338	50	0		IGAARO
COc1ccc(OC)c([N+]2=C3CCCCCN3[C@](O)(c3ccc(OC)c(OC)c3)C2)c1	ZINC000002974556	556152859	/nfs/dbraw/zinc/15/28/59/556152859.db2.gz	SAHUATAPHZRMIT-XMMPIXPASA-N	1	0	427.521	3.371	50	0		IGAARO
COc1ccc(C[NH+]2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c(OC)c1	ZINC000008680863	556199227	/nfs/dbraw/zinc/19/92/27/556199227.db2.gz	YSVMFHHFPYTTLR-UHFFFAOYSA-N	1	0	442.556	3.292	50	0		IGAARO
CC[NH+](CC)CCNC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccc(C)cc1	ZINC000008871728	556229691	/nfs/dbraw/zinc/22/96/91/556229691.db2.gz	UZWFEVMWUBCIDV-PGMHBOJBSA-N	1	0	439.556	3.241	50	0		IGAARO
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1	ZINC000013828184	556316260	/nfs/dbraw/zinc/31/62/60/556316260.db2.gz	FBVFZWUMDDXLLG-HDICACEKSA-N	1	0	426.586	3.374	50	0	world	IGAARO
COc1cc(OC)cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)c1	ZINC000011787306	556354100	/nfs/dbraw/zinc/35/41/00/556354100.db2.gz	WVQCSCQPQMFYBG-FQEVSTJZSA-N	1	0	425.529	3.042	50	0		IGAARO
CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)CC1	ZINC000011817097	556359547	/nfs/dbraw/zinc/35/95/47/556359547.db2.gz	BWINIPOHONNDTE-UHFFFAOYSA-N	1	0	431.552	3.016	50	0		IGAARO
CSc1ncc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cn1	ZINC000011821260	556362826	/nfs/dbraw/zinc/36/28/26/556362826.db2.gz	HNHYOBIWKGHSEA-UHFFFAOYSA-N	1	0	440.661	3.402	50	0		IGAARO
COC(=O)CCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000011878664	556371336	/nfs/dbraw/zinc/37/13/36/556371336.db2.gz	MIUVMODNNLOALX-DEOSSOPVSA-N	1	0	442.600	3.217	50	0		IGAARO
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cn(C)c4ccccc24)CC3)CC1	ZINC000012024967	556387532	/nfs/dbraw/zinc/38/75/32/556387532.db2.gz	NBKRDNFJSXFZRJ-NRFANRHFSA-N	1	0	438.572	3.081	50	0		IGAARO
COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000012037200	556390169	/nfs/dbraw/zinc/39/01/69/556390169.db2.gz	MQLICNNRWULLKA-JOCHJYFZSA-N	1	0	445.567	3.237	50	0		IGAARO
COc1cccc(CCNc2ncnc3sc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c(C)c32)c1	ZINC000012049216	556391804	/nfs/dbraw/zinc/39/18/04/556391804.db2.gz	OJNHZSZQHYFCHW-QGZVFWFLSA-N	1	0	439.585	3.439	50	0		IGAARO
COc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc2c1OCO2	ZINC000012056542	556394265	/nfs/dbraw/zinc/39/42/65/556394265.db2.gz	JYFDIAYHYJNYAP-FQEVSTJZSA-N	1	0	438.524	3.368	50	0		IGAARO
O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000014244670	556404355	/nfs/dbraw/zinc/40/43/55/556404355.db2.gz	WPQZQACYBCIMFN-KRWDZBQOSA-N	1	0	438.553	3.053	50	0		IGAARO
COc1ccc(-c2noc(-c3ccc(OCC(=O)N4CC[NH+](C(C)C)CC4)cc3)n2)cc1	ZINC000032579144	556406295	/nfs/dbraw/zinc/40/62/95/556406295.db2.gz	FGMVPLHWLBDLPZ-UHFFFAOYSA-N	1	0	436.512	3.344	50	0		IGAARO
C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012985691	556426544	/nfs/dbraw/zinc/42/65/44/556426544.db2.gz	IFCNDZYQCYUXJK-IAGOWNOFSA-N	1	0	435.524	3.432	50	0		IGAARO
C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012985695	556426550	/nfs/dbraw/zinc/42/65/50/556426550.db2.gz	IFCNDZYQCYUXJK-SJORKVTESA-N	1	0	435.524	3.432	50	0		IGAARO
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3cccnc3)CC2)N1Cc1ccccc1	ZINC000014732740	556437195	/nfs/dbraw/zinc/43/71/95/556437195.db2.gz	AZIFQEIDBJZOHF-UHFFFAOYSA-N	1	0	441.535	3.476	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2	ZINC000014740742	556438524	/nfs/dbraw/zinc/43/85/24/556438524.db2.gz	DRTYMPGXODFYOK-FQEVSTJZSA-N	1	0	441.572	3.297	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2	ZINC000014740743	556438530	/nfs/dbraw/zinc/43/85/30/556438530.db2.gz	DRTYMPGXODFYOK-HXUWFJFHSA-N	1	0	441.572	3.297	50	0		IGAARO
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccncc3)CC2)N1Cc1ccccc1	ZINC000014752994	556444090	/nfs/dbraw/zinc/44/40/90/556444090.db2.gz	IXCVPJQUXKVDJL-UHFFFAOYSA-N	1	0	441.535	3.476	50	0		IGAARO
CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1	ZINC000014879760	556453095	/nfs/dbraw/zinc/45/30/95/556453095.db2.gz	OWSRJNBAEMFHND-GOSISDBHSA-N	1	0	449.555	3.235	50	0		IGAARO
CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C	ZINC000014954422	556461569	/nfs/dbraw/zinc/46/15/69/556461569.db2.gz	KJKZLKOASNYGPU-UHFFFAOYSA-N	1	0	448.571	3.159	50	0		IGAARO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1	ZINC000028970651	556465311	/nfs/dbraw/zinc/46/53/11/556465311.db2.gz	UFONPEZNFGRBNC-UHFFFAOYSA-N	1	0	433.599	3.105	50	0		IGAARO
COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](CC(c1ccccc1)c1ccccc1)CC2	ZINC000014981182	556470928	/nfs/dbraw/zinc/47/09/28/556470928.db2.gz	RYFCYEXBTLYEGU-FQEVSTJZSA-N	1	0	447.583	3.182	50	0		IGAARO
COc1ccc([C@H]2[C@@H](COC(=O)CCn3cnc4ccccc4c3=O)CCC[N@@H+]2C)cc1	ZINC000072289686	556484142	/nfs/dbraw/zinc/48/41/42/556484142.db2.gz	SBROSZQWWFPFKH-DVECYGJZSA-N	1	0	435.524	3.422	50	0		IGAARO
O=C(NCCOc1cccnc1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000015062394	556490522	/nfs/dbraw/zinc/49/05/22/556490522.db2.gz	BBACCCWPCNGFCW-UHFFFAOYSA-N	1	0	432.524	3.329	50	0		IGAARO
COc1ccc(/C=C/C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	ZINC000015070919	556495817	/nfs/dbraw/zinc/49/58/17/556495817.db2.gz	SNSBCCQUNWYOFE-LAQIPUCWSA-N	1	0	435.528	3.251	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015999325	556572429	/nfs/dbraw/zinc/57/24/29/556572429.db2.gz	XRGXUDGPDOIAIG-CMCWBKRRSA-N	1	0	435.911	3.388	50	0		IGAARO
CCOc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1	ZINC000022939612	556587184	/nfs/dbraw/zinc/58/71/84/556587184.db2.gz	MLNWRMWVXMENFL-XMMPIXPASA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
C[NH+]1CCN(CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1	ZINC000032975053	556597262	/nfs/dbraw/zinc/59/72/62/556597262.db2.gz	PAPTUQYQEMPDHN-UHFFFAOYSA-N	1	0	431.584	3.226	50	0		IGAARO
COc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1	ZINC000016363933	556603362	/nfs/dbraw/zinc/60/33/62/556603362.db2.gz	UPMUMFDETWEILU-RUZDIDTESA-N	1	0	447.535	3.288	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000409414554	556639845	/nfs/dbraw/zinc/63/98/45/556639845.db2.gz	MLYNEDMKHUBXSI-QNWVGRARSA-N	1	0	427.589	3.169	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000409413442	556640715	/nfs/dbraw/zinc/64/07/15/556640715.db2.gz	IDLBWXARRNAEEO-DENIHFKCSA-N	1	0	440.588	3.398	50	0		IGAARO
CCc1nn([C@@H](C)C(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c2cc3occc3n21	ZINC000005149714	556642539	/nfs/dbraw/zinc/64/25/39/556642539.db2.gz	HWSRBCITBSPPJR-INIZCTEOSA-N	1	0	427.549	3.136	50	0		IGAARO
CC(C)Oc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1Br	ZINC000040719674	556645395	/nfs/dbraw/zinc/64/53/95/556645395.db2.gz	VGFABLIDHQGWLS-UHFFFAOYSA-N	1	0	436.188	3.421	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000043730580	556664955	/nfs/dbraw/zinc/66/49/55/556664955.db2.gz	FKANVUAATCYCSN-KNODPMPASA-N	1	0	448.361	3.014	50	0		IGAARO
O=C(CNC(=O)c1ccccc1Br)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000033024196	556694915	/nfs/dbraw/zinc/69/49/15/556694915.db2.gz	SBVILCQZYMZHML-QGZVFWFLSA-N	1	0	434.334	3.115	50	0		IGAARO
O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)NC1CCCC1	ZINC000004601837	556696188	/nfs/dbraw/zinc/69/61/88/556696188.db2.gz	NJBGSFCUBZKYJJ-UHFFFAOYSA-N	1	0	428.602	3.423	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)C1	ZINC000033031778	556711668	/nfs/dbraw/zinc/71/16/68/556711668.db2.gz	MYYKKOSLWVQSHO-GOSISDBHSA-N	1	0	426.536	3.412	50	0		IGAARO
CC[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000058144365	556761399	/nfs/dbraw/zinc/76/13/99/556761399.db2.gz	GCTMYXVBEVNCCE-UPVQGACJSA-N	1	0	435.616	3.278	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000061935813	556762435	/nfs/dbraw/zinc/76/24/35/556762435.db2.gz	XNQZASOJZYJLNJ-RQXXJAGISA-N	1	0	441.409	3.137	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000061997526	556763497	/nfs/dbraw/zinc/76/34/97/556763497.db2.gz	DLPGSFRECXFFPX-CWHUTAJFSA-N	1	0	428.548	3.233	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccsc1	ZINC000058281115	556777279	/nfs/dbraw/zinc/77/72/79/556777279.db2.gz	SUVBJKFJXPYJCG-LJQANCHMSA-N	1	0	436.603	3.493	50	0		IGAARO
COc1cc(C)c(S(=O)(=O)N[C@@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1C	ZINC000058440059	556788772	/nfs/dbraw/zinc/78/87/72/556788772.db2.gz	UPGKNICRPUAEAM-QFIPXVFZSA-N	1	0	445.629	3.358	50	0		IGAARO
C[NH+](C)CCOc1cccc(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1	ZINC000059350506	556798575	/nfs/dbraw/zinc/79/85/75/556798575.db2.gz	LDBAVZDBYWHOHJ-UHFFFAOYSA-N	1	0	442.519	3.256	50	0		IGAARO
C[N@H+](CCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1)Cc1ccccc1	ZINC000033060250	556816809	/nfs/dbraw/zinc/81/68/09/556816809.db2.gz	CXNKNXGYWKSUPO-UHFFFAOYSA-N	1	0	427.505	3.181	50	0		IGAARO
CCN(CC[NH+](C)C)S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)sc1C	ZINC000064450524	556824236	/nfs/dbraw/zinc/82/42/36/556824236.db2.gz	SCGSGLMGOQXPAR-UHFFFAOYSA-N	1	0	438.550	3.485	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnn(-c2ccccc2)c1-n1cccc1	ZINC000206648424	556825440	/nfs/dbraw/zinc/82/54/40/556825440.db2.gz	KYPXHMLRPMMURD-UHFFFAOYSA-N	1	0	426.524	3.452	50	0		IGAARO
C[N@H+]1CC=C(c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)CC1	ZINC000033069149	556840061	/nfs/dbraw/zinc/84/00/61/556840061.db2.gz	ICCFRMHSCFYHSN-UHFFFAOYSA-N	1	0	449.477	3.089	50	0		IGAARO
C[C@H](C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1)N1c2ccccc2CCCC1=O	ZINC000033249670	556889525	/nfs/dbraw/zinc/88/95/25/556889525.db2.gz	HJLNELYEIAFHSF-OAQYLSRUSA-N	1	0	440.632	3.201	50	0		IGAARO
O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)c1ccccc1	ZINC000019841456	556929741	/nfs/dbraw/zinc/92/97/41/556929741.db2.gz	WGOGLFAOMOWUBW-UHFFFAOYSA-N	1	0	429.446	3.285	50	0		IGAARO
O[C@@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1	ZINC000019938627	556952982	/nfs/dbraw/zinc/95/29/82/556952982.db2.gz	FLEPFOGIDBPCGF-HXUWFJFHSA-N	1	0	435.362	3.028	50	0		IGAARO
COc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1	ZINC000020119240	556987393	/nfs/dbraw/zinc/98/73/93/556987393.db2.gz	LRVCLHASEWZTEJ-OAQYLSRUSA-N	1	0	425.573	3.499	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1	ZINC000023086540	556997361	/nfs/dbraw/zinc/99/73/61/556997361.db2.gz	YGXJITNJILHDTQ-VWLOTQADSA-N	1	0	448.567	3.041	50	0		IGAARO
CC[NH+]1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1	ZINC000023086551	556997474	/nfs/dbraw/zinc/99/74/74/556997474.db2.gz	NQTFBWDZNMYESY-XMMPIXPASA-N	1	0	436.531	3.172	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)[C@H](C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O	ZINC000032944951	557028091	/nfs/dbraw/zinc/02/80/91/557028091.db2.gz	KUMDCKOHEPCSHG-HNNXBMFYSA-N	1	0	426.483	3.441	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCC(C)CC1	ZINC000017245965	557044447	/nfs/dbraw/zinc/04/44/47/557044447.db2.gz	GYJJSJZEHXVTCR-UHFFFAOYSA-N	1	0	433.936	3.390	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1	ZINC000022926617	557048529	/nfs/dbraw/zinc/04/85/29/557048529.db2.gz	SYWXIUZOKPTNTI-NRFANRHFSA-N	1	0	432.634	3.277	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)CC1	ZINC000022930167	557049675	/nfs/dbraw/zinc/04/96/75/557049675.db2.gz	FXVAYIYWMRLPEH-UHFFFAOYSA-N	1	0	426.586	3.199	50	0		IGAARO
Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)s2)o1	ZINC000048264262	557050575	/nfs/dbraw/zinc/05/05/75/557050575.db2.gz	QTRGEOOZKUCAMQ-UHFFFAOYSA-N	1	0	425.558	3.487	50	0		IGAARO
CC(C)c1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)no1	ZINC000082087641	557058507	/nfs/dbraw/zinc/05/85/07/557058507.db2.gz	SJEUQTXFSFAQJS-HXUWFJFHSA-N	1	0	425.577	3.233	50	0		IGAARO
CC[NH+]1CCC(N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CC2)CC1	ZINC000048326591	557069151	/nfs/dbraw/zinc/06/91/51/557069151.db2.gz	FFZZQQPSJWPLFG-UHFFFAOYSA-N	1	0	447.645	3.269	50	0		IGAARO
CC(=O)N1CC[NH+](C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1	ZINC000023339958	557086050	/nfs/dbraw/zinc/08/60/50/557086050.db2.gz	IDKCVCJOQSBNKL-HXUWFJFHSA-N	1	0	434.584	3.311	50	0		IGAARO
Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)cc1	ZINC000023473056	557093489	/nfs/dbraw/zinc/09/34/89/557093489.db2.gz	KLNIBMORVHDJGX-HXUWFJFHSA-N	1	0	439.478	3.142	50	0		IGAARO
Cc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000049400883	557096735	/nfs/dbraw/zinc/09/67/35/557096735.db2.gz	AYWRALXUJVEJRV-LJQANCHMSA-N	1	0	430.552	3.296	50	0		IGAARO
CC(C)C[NH+]1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1	ZINC000049420791	557107183	/nfs/dbraw/zinc/10/71/83/557107183.db2.gz	MKWMGCIEDLUBCS-UHFFFAOYSA-N	1	0	437.548	3.029	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)CCn2c3ccccc3n(C)c2=O)c2cccs2)CC1	ZINC000024983983	557185822	/nfs/dbraw/zinc/18/58/22/557185822.db2.gz	MQGMUOXTUPCDTH-FQEVSTJZSA-N	1	0	426.586	3.381	50	0		IGAARO
Cc1nn(Cn2ccc(C(=O)N[C@@H](CC[NH+](C)C)c3ccc(F)cc3)n2)c(C)c1Cl	ZINC000072258880	557232831	/nfs/dbraw/zinc/23/28/31/557232831.db2.gz	SGHRDJISQZDZBR-SFHVURJKSA-N	1	0	432.931	3.418	50	0		IGAARO
COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21	ZINC000098063905	557232898	/nfs/dbraw/zinc/23/28/98/557232898.db2.gz	YEWKVMBYNZAGPX-ODTAKUCXSA-N	1	0	437.584	3.375	50	0		IGAARO
Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O	ZINC000101490822	557288226	/nfs/dbraw/zinc/28/82/26/557288226.db2.gz	IKEPVGAGSGLSGO-LJQANCHMSA-N	1	0	441.915	3.337	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)[NH+]2CCCC2)cc1	ZINC000014094496	557302295	/nfs/dbraw/zinc/30/22/95/557302295.db2.gz	UJTOLDIRQINYOQ-LJQANCHMSA-N	1	0	440.569	3.037	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000014160849	557311729	/nfs/dbraw/zinc/31/17/29/557311729.db2.gz	VNODTSOQHYRVRS-DWXRJYCRSA-N	1	0	448.567	3.191	50	0		IGAARO
O=C1C[C@H](N2CC[NH+](CCCc3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1	ZINC000100218673	557370443	/nfs/dbraw/zinc/37/04/43/557370443.db2.gz	YITIWCKTDWJYAH-NRFANRHFSA-N	1	0	429.923	3.361	50	0		IGAARO
O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000102915465	557412241	/nfs/dbraw/zinc/41/22/41/557412241.db2.gz	LRMJWZKLLYOWBP-QKLQHJQFSA-N	1	0	431.964	3.158	50	0		IGAARO
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1	ZINC000105101398	557476163	/nfs/dbraw/zinc/47/61/63/557476163.db2.gz	BNIPEAZRNUJVST-NKKJXINNSA-N	1	0	435.568	3.214	50	0		IGAARO
C[C@@H](NC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000225414176	557720184	/nfs/dbraw/zinc/72/01/84/557720184.db2.gz	YZAQNCAVJAWNLG-IAGOWNOFSA-N	1	0	448.583	3.258	50	0		IGAARO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229902149	557833998	/nfs/dbraw/zinc/83/39/98/557833998.db2.gz	WZTBGUAXFBSKAK-BOCITWAFSA-N	1	0	441.462	3.410	50	0		IGAARO
CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COCCOc1ccc(Br)cc1	ZINC000002082543	562925747	/nfs/dbraw/zinc/92/57/47/562925747.db2.gz	OKFKOFUEXTUYIG-KRWDZBQOSA-N	1	0	430.383	3.219	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1	ZINC000003657515	562937437	/nfs/dbraw/zinc/93/74/37/562937437.db2.gz	WQJPMKRTVRDDBZ-GOTSBHOMSA-N	1	0	441.547	3.211	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3sc(C)cc3n21	ZINC000009848627	562977396	/nfs/dbraw/zinc/97/73/96/562977396.db2.gz	GMWVIRPICOOFSA-HZPDHXFCSA-N	1	0	443.617	3.066	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)[NH+]1CCCC1	ZINC000013013564	562984207	/nfs/dbraw/zinc/98/42/07/562984207.db2.gz	QLKKAEXFJWPKSX-FYYLOGMGSA-N	1	0	435.568	3.305	50	0		IGAARO
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1	ZINC000015779573	563018155	/nfs/dbraw/zinc/01/81/55/563018155.db2.gz	OMYBVYKZJIIDLC-UHFFFAOYSA-N	1	0	436.423	3.391	50	0		IGAARO
CCn1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1	ZINC000055054778	563142371	/nfs/dbraw/zinc/14/23/71/563142371.db2.gz	HKFWXPQRGWWMDD-FQEVSTJZSA-N	1	0	435.494	3.349	50	0		IGAARO
Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C)C3)CC2)c1	ZINC000247960370	568632631	/nfs/dbraw/zinc/63/26/31/568632631.db2.gz	DHOAROGJPMZZHJ-OAQYLSRUSA-N	1	0	431.584	3.443	50	0		IGAARO
COc1ccc(CNCc2cc(C)no2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000015069471	568635359	/nfs/dbraw/zinc/63/53/59/568635359.db2.gz	QCCOLPLCUYMFCQ-NRFANRHFSA-N	1	0	425.529	3.153	50	0		IGAARO
Cc1ccccc1Cn1nc(C[NH2+]CCCSc2nnnn2C)c(-c2ccccc2)n1	ZINC000261492150	568734462	/nfs/dbraw/zinc/73/44/62/568734462.db2.gz	RLEVBHXBWUUDRY-UHFFFAOYSA-N	1	0	434.573	3.097	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1)N1CCC[C@@H](CO)C1	ZINC000299755335	568755180	/nfs/dbraw/zinc/75/51/80/568755180.db2.gz	HQZSSQBZBBZALV-OAQYLSRUSA-N	1	0	439.575	3.471	50	0		IGAARO
COc1cccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c1	ZINC000299766535	568756452	/nfs/dbraw/zinc/75/64/52/568756452.db2.gz	DYJNBJAJQMWCEX-QHCPKHFHSA-N	1	0	439.600	3.414	50	0		IGAARO
CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000104984617	568838695	/nfs/dbraw/zinc/83/86/95/568838695.db2.gz	YVDVTOHDOZGQPC-LEWJYISDSA-N	1	0	444.503	3.336	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CN(c2cc(-c3ccccc3)ncn2)C1	ZINC000575414040	568860816	/nfs/dbraw/zinc/86/08/16/568860816.db2.gz	RXNPWWGGBQDYFG-UHFFFAOYSA-N	1	0	427.552	3.361	50	0		IGAARO
Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@@H]2CC[NH2+]C2)c1	ZINC000575415310	568862879	/nfs/dbraw/zinc/86/28/79/568862879.db2.gz	NMFIXEFNQPDISY-CYBMUJFWSA-N	1	0	441.513	3.017	50	0	in-vitro	IGAARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000227303057	568885741	/nfs/dbraw/zinc/88/57/41/568885741.db2.gz	OMYCOSYSHAPXGK-FBAVSBLXSA-N	1	0	442.302	3.425	50	0		IGAARO
CN(C)C(=O)c1ccc(NC(=O)CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)cc1	ZINC000240244196	568911813	/nfs/dbraw/zinc/91/18/13/568911813.db2.gz	DKUNDGCAEALTBH-SXLOBPIMSA-N	1	0	429.561	3.302	50	0		IGAARO
CCCC(=O)OC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCCC1	ZINC000036159094	568966944	/nfs/dbraw/zinc/96/69/44/568966944.db2.gz	PJNNFYFRSNUAFC-MRXNPFEDSA-N	1	0	447.601	3.312	50	0		IGAARO
CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COC	ZINC000169680122	568990702	/nfs/dbraw/zinc/99/07/02/568990702.db2.gz	HOORLYAXGUIDQJ-TZIWHRDSSA-N	1	0	446.613	3.199	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2)CC1	ZINC000036341230	569079149	/nfs/dbraw/zinc/07/91/49/569079149.db2.gz	QOXGLCUKXAYSJY-XMMPIXPASA-N	1	0	436.556	3.019	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036344432	569080234	/nfs/dbraw/zinc/08/02/34/569080234.db2.gz	JCTBRFIFXSLLOH-QFIPXVFZSA-N	1	0	434.540	3.039	50	0		IGAARO
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1	ZINC000006851077	569088890	/nfs/dbraw/zinc/08/88/90/569088890.db2.gz	HGVMFBOBICRCIE-UHFFFAOYSA-N	1	0	427.570	3.142	50	0		IGAARO
CCCCN(C)C(=O)c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CC[NH2+]CC1	ZINC000065025437	569090664	/nfs/dbraw/zinc/09/06/64/569090664.db2.gz	VGPRZTQDJKFSOL-UHFFFAOYSA-N	1	0	429.952	3.269	50	0		IGAARO
O=C(NCCC[NH+]1CCCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1	ZINC000065062625	569097201	/nfs/dbraw/zinc/09/72/01/569097201.db2.gz	GRGVBODBUISMEW-UHFFFAOYSA-N	1	0	429.590	3.038	50	0		IGAARO
CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000036393534	569098402	/nfs/dbraw/zinc/09/84/02/569098402.db2.gz	VFMKKKSWOXQAKL-UHFFFAOYSA-N	1	0	443.613	3.420	50	0		IGAARO
CC1CCN(c2cc(-c3noc(C(=O)N4CC[NH+](C5CCCCC5)CC4)n3)ccn2)CC1	ZINC000065246009	569121766	/nfs/dbraw/zinc/12/17/66/569121766.db2.gz	XHJYJKZBPURQOA-UHFFFAOYSA-N	1	0	438.576	3.458	50	0		IGAARO
COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)cc1OC	ZINC000065255786	569123034	/nfs/dbraw/zinc/12/30/34/569123034.db2.gz	HJECWEZVYIHRSJ-NRFANRHFSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)cc1OC	ZINC000065255951	569123091	/nfs/dbraw/zinc/12/30/91/569123091.db2.gz	NAQBWXNGFQXKRL-NRFANRHFSA-N	1	0	432.524	3.180	50	0		IGAARO
CC(=O)N1CCC(n2c(C)nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)CC1	ZINC000065257368	569123381	/nfs/dbraw/zinc/12/33/81/569123381.db2.gz	JCYHZHCZZIUCQH-UHFFFAOYSA-N	1	0	437.588	3.078	50	0		IGAARO
Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1	ZINC000065329761	569136998	/nfs/dbraw/zinc/13/69/98/569136998.db2.gz	JYTLVVNUACXJIR-UHFFFAOYSA-N	1	0	426.517	3.284	50	0		IGAARO
CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl	ZINC000170607653	569144334	/nfs/dbraw/zinc/14/43/34/569144334.db2.gz	CUGAFCFZGONYKO-UHFFFAOYSA-N	1	0	448.416	3.382	50	0		IGAARO
CN(C)S(=O)(=O)c1cccc(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)c1	ZINC000009955979	569151293	/nfs/dbraw/zinc/15/12/93/569151293.db2.gz	PTWUUFVKUNECAC-UHFFFAOYSA-N	1	0	438.663	3.412	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000037523969	569198359	/nfs/dbraw/zinc/19/83/59/569198359.db2.gz	CSRKWIDSKPXGCA-ISKFKSNPSA-N	1	0	440.584	3.341	50	0		IGAARO
CN1CCc2c(sc3nc(NCCC[NH+](C)C)n(-c4cccc(Cl)c4)c(=O)c23)C1	ZINC000002410275	569300843	/nfs/dbraw/zinc/30/08/43/569300843.db2.gz	ASCKMOFWLWLXRW-UHFFFAOYSA-N	1	0	431.993	3.452	50	0		IGAARO
C[C@@H]1C[NH+](CCC2CCN(C(=O)CCC(=O)N3CCc4sccc4C3)CC2)C[C@@H](C)O1	ZINC000079022409	569322504	/nfs/dbraw/zinc/32/25/04/569322504.db2.gz	XIOCDFYSLPYOEZ-RTBURBONSA-N	1	0	447.645	3.151	50	0		IGAARO
CCc1nn(CCCC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21	ZINC000020416775	569364583	/nfs/dbraw/zinc/36/45/83/569364583.db2.gz	OXOHDMIZVGZROX-HDICACEKSA-N	1	0	441.576	3.354	50	0		IGAARO
COCC[N@H+](C)CCCC1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1	ZINC000095452765	569368098	/nfs/dbraw/zinc/36/80/98/569368098.db2.gz	WGDBJSGWNUKOQB-UHFFFAOYSA-N	1	0	441.975	3.196	50	0		IGAARO
C[NH+]1CCN(CCc2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)CC1	ZINC000095457797	569369060	/nfs/dbraw/zinc/36/90/60/569369060.db2.gz	ZTDBZNPSQMLUAY-UHFFFAOYSA-N	1	0	425.558	3.159	50	0		IGAARO
COc1ccc(C[NH+]2CCC(NC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC	ZINC000095476054	569372938	/nfs/dbraw/zinc/37/29/38/569372938.db2.gz	XJBXELCNVQVMTC-UHFFFAOYSA-N	1	0	425.485	3.079	50	0		IGAARO
O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccc(-n2cccc2)cc1	ZINC000096024204	569380585	/nfs/dbraw/zinc/38/05/85/569380585.db2.gz	GHEFNEONHILKGO-UHFFFAOYSA-N	1	0	441.535	3.213	50	0		IGAARO
O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)Nc1ccccc1Cl	ZINC000096096326	569381239	/nfs/dbraw/zinc/38/12/39/569381239.db2.gz	COORQFMODXFFPK-UHFFFAOYSA-N	1	0	425.920	3.467	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O	ZINC000096372454	569397821	/nfs/dbraw/zinc/39/78/21/569397821.db2.gz	QQRUORSLFBDFDP-UHFFFAOYSA-N	1	0	445.567	3.298	50	0		IGAARO
C[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000097165343	569403380	/nfs/dbraw/zinc/40/33/80/569403380.db2.gz	WMJZCDDBJQMZJG-NHCUHLMSSA-N	1	0	436.641	3.042	50	0		IGAARO
COc1ccccc1-n1nc(C(=O)NCCC[NH+]2CCCCCC2)c2ccccc2c1=O	ZINC000002943898	569426887	/nfs/dbraw/zinc/42/68/87/569426887.db2.gz	QMUQZGJRZCNGPQ-UHFFFAOYSA-N	1	0	434.540	3.390	50	0		IGAARO
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1	ZINC000031056808	569452961	/nfs/dbraw/zinc/45/29/61/569452961.db2.gz	XAOXZOULYLSJDE-OAHLLOKOSA-N	1	0	426.498	3.055	50	0		IGAARO
CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1	ZINC000032080027	569459415	/nfs/dbraw/zinc/45/94/15/569459415.db2.gz	VOCLZTCXCITAMC-QGZVFWFLSA-N	1	0	426.948	3.474	50	0		IGAARO
COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c1	ZINC000008892851	569483493	/nfs/dbraw/zinc/48/34/93/569483493.db2.gz	FEBDCAHYYQPSML-IBGZPJMESA-N	1	0	431.558	3.437	50	0		IGAARO
CC[NH+](CC)CCN(CC(C)C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C	ZINC000040089851	569487151	/nfs/dbraw/zinc/48/71/51/569487151.db2.gz	CYMGPSLUXVVILJ-VWLOTQADSA-N	1	0	442.604	3.202	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3	ZINC000040146737	569492323	/nfs/dbraw/zinc/49/23/23/569492323.db2.gz	GACJZPOVEFFIBV-KRWDZBQOSA-N	1	0	430.618	3.498	50	0		IGAARO
Cc1noc(C)c1C(=O)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1	ZINC000244986072	569496851	/nfs/dbraw/zinc/49/68/51/569496851.db2.gz	JEOLFLTVTRBLMF-UHFFFAOYSA-N	1	0	437.466	3.132	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2)CC1	ZINC000009338719	569523728	/nfs/dbraw/zinc/52/37/28/569523728.db2.gz	VJIZEQKARJRZBR-QHCPKHFHSA-N	1	0	446.551	3.401	50	0		IGAARO
COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)nc21	ZINC000009604148	569551867	/nfs/dbraw/zinc/55/18/67/569551867.db2.gz	LSLRIDUYGBBIBR-SFHVURJKSA-N	1	0	427.526	3.348	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(OC)cc3)nc1=O)CCC2	ZINC000009746020	569565700	/nfs/dbraw/zinc/56/57/00/569565700.db2.gz	HOUOSZWGNRKGJZ-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2F)c2c1CCCC2	ZINC000009747015	569565742	/nfs/dbraw/zinc/56/57/42/569565742.db2.gz	RSMPMKREPDHLBV-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3sc(C)cc3n21	ZINC000009848624	569571232	/nfs/dbraw/zinc/57/12/32/569571232.db2.gz	GMWVIRPICOOFSA-IYBDPMFKSA-N	1	0	443.617	3.066	50	0		IGAARO
COc1ccc(CCC(=O)Nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1	ZINC000077200556	569586436	/nfs/dbraw/zinc/58/64/36/569586436.db2.gz	LQYQBJAOCNBBMK-UHFFFAOYSA-N	1	0	431.540	3.379	50	0		IGAARO
O=C1[C@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000002183637	132248443	/nfs/dbraw/zinc/24/84/43/132248443.db2.gz	OEYDVYNTKKLWOG-LJQANCHMSA-N	1	0	438.494	3.424	50	0		IGAARO
C[NH+](C)CCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3	ZINC000002280615	132251037	/nfs/dbraw/zinc/25/10/37/132251037.db2.gz	FSLSYNJKXCENBG-UHFFFAOYSA-N	1	0	426.590	3.319	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21	ZINC000003056970	132261189	/nfs/dbraw/zinc/26/11/89/132261189.db2.gz	BKUXWTBFJDPOEW-CJLVFECKSA-N	1	0	425.504	3.440	50	0		IGAARO
Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[NH+]1CCN(c3ccccc3)CC1)CO2	ZINC000009777090	132328723	/nfs/dbraw/zinc/32/87/23/132328723.db2.gz	RMUKYTNGSUDUON-UHFFFAOYSA-N	1	0	445.567	3.079	50	0		IGAARO
Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3Br)CC2)[nH+]1	ZINC000017012546	132357091	/nfs/dbraw/zinc/35/70/91/132357091.db2.gz	YNEZFYWZXYEKDF-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21	ZINC000020611691	519281746	/nfs/dbraw/zinc/28/17/46/519281746.db2.gz	KOJMTCSPNDBQIP-CMCWBKRRSA-N	1	0	437.927	3.307	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]2CCO)CC1	ZINC000022913600	519670142	/nfs/dbraw/zinc/67/01/42/519670142.db2.gz	PMGWBVBRYPBUCA-NRFANRHFSA-N	1	0	448.011	3.131	50	0		IGAARO
CCC[NH+]1CCN(CCCN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCC2)CC1	ZINC000020685882	519857290	/nfs/dbraw/zinc/85/72/90/519857290.db2.gz	QAAICVLCEUVWPG-XMMPIXPASA-N	1	0	440.632	3.440	50	0		IGAARO
CCC[NH+]1CCN(CCCN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCC2)CC1	ZINC000020685888	519857679	/nfs/dbraw/zinc/85/76/79/519857679.db2.gz	QAAICVLCEUVWPG-DEOSSOPVSA-N	1	0	440.632	3.440	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)CC1	ZINC000020980179	519858083	/nfs/dbraw/zinc/85/80/83/519858083.db2.gz	XYNINYASFLENQS-UHFFFAOYSA-N	1	0	434.588	3.119	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020566647	520562543	/nfs/dbraw/zinc/56/25/43/520562543.db2.gz	XOQCUAXBWURDMH-UAKAABGRSA-N	1	0	437.927	3.103	50	0		IGAARO
CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OCC	ZINC000012857438	520904263	/nfs/dbraw/zinc/90/42/63/520904263.db2.gz	WOPLWHOJHAQAQC-LJQANCHMSA-N	1	0	443.544	3.150	50	0		IGAARO
CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OCC	ZINC000012857445	520904321	/nfs/dbraw/zinc/90/43/21/520904321.db2.gz	WOPLWHOJHAQAQC-IBGZPJMESA-N	1	0	443.544	3.150	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cccc(-n4nc(C)cc4C)c3)C2)CC1	ZINC000020455888	520961186	/nfs/dbraw/zinc/96/11/86/520961186.db2.gz	XWJCSOSIORSQHH-QHCPKHFHSA-N	1	0	425.577	3.228	50	0		IGAARO
CCOc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	ZINC000020599604	520980397	/nfs/dbraw/zinc/98/03/97/520980397.db2.gz	BAOOUOPTZPARFQ-SFHVURJKSA-N	1	0	449.555	3.235	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)cc2C)CC1	ZINC000012757608	521698911	/nfs/dbraw/zinc/69/89/11/521698911.db2.gz	KJJQNNJBLLITRG-JOCHJYFZSA-N	1	0	434.584	3.167	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(OC)c(OC)c2)cc1	ZINC000012450546	522032176	/nfs/dbraw/zinc/03/21/76/522032176.db2.gz	RCJOUXKXCPKVDO-HXUWFJFHSA-N	1	0	426.513	3.161	50	0		IGAARO
COc1cc(CCC2CC[NH+](Cc3nn4c(nc(C)cc4=O)s3)CC2)cc(OC)c1	ZINC000021396485	522326688	/nfs/dbraw/zinc/32/66/88/522326688.db2.gz	AEILYUHLTIXLIF-UHFFFAOYSA-N	1	0	428.558	3.321	50	0		IGAARO
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000012753138	522379324	/nfs/dbraw/zinc/37/93/24/522379324.db2.gz	MIIFSVKFENBIJC-IERDGZPVSA-N	1	0	443.979	3.270	50	0		IGAARO
CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2)Cc1cccnc1	ZINC000012305346	522447405	/nfs/dbraw/zinc/44/74/05/522447405.db2.gz	MTYCKSPNIOZDNB-XMMPIXPASA-N	1	0	428.527	3.306	50	0		IGAARO
C[N@H+](CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1)C1CCCCC1	ZINC000035423413	522859323	/nfs/dbraw/zinc/85/93/23/522859323.db2.gz	ICUMCVYIUNKIHK-UHFFFAOYSA-N	1	0	447.539	3.285	50	0		IGAARO
COC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1	ZINC000012435780	523109453	/nfs/dbraw/zinc/10/94/53/523109453.db2.gz	AWRMRIFIKNQBHQ-GOSISDBHSA-N	1	0	425.529	3.197	50	0		IGAARO
C[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1	ZINC000012247971	523629306	/nfs/dbraw/zinc/62/93/06/523629306.db2.gz	XWTMCYHHHNOFOQ-QFIPXVFZSA-N	1	0	437.540	3.035	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CN1C1Cc2ccccc2C1	ZINC000023373958	523912963	/nfs/dbraw/zinc/91/29/63/523912963.db2.gz	ROTKDMUBHFSYHA-VPUSJEBWSA-N	1	0	443.591	3.302	50	0		IGAARO
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(Br)cc2)c1	ZINC000035422099	524165389	/nfs/dbraw/zinc/16/53/89/524165389.db2.gz	LILPGXOJBJLRLW-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
Cc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)s1	ZINC000091746462	524332053	/nfs/dbraw/zinc/33/20/53/524332053.db2.gz	RWRFBFINURODJQ-OAQYLSRUSA-N	1	0	426.630	3.487	50	0		IGAARO
COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CN2C(=O)CSC2=O)CC1	ZINC000012836937	524446971	/nfs/dbraw/zinc/44/69/71/524446971.db2.gz	RAPPYAFBIWVDMB-UHFFFAOYSA-N	1	0	447.601	3.087	50	0		IGAARO
COc1ccccc1CNc1nc(N2CCC([NH+]3CCCCC3)CC2)nc2c1cnn2C	ZINC000021929982	524493094	/nfs/dbraw/zinc/49/30/94/524493094.db2.gz	XUYFCBXQPRXJAZ-UHFFFAOYSA-N	1	0	435.576	3.439	50	0		IGAARO
COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1	ZINC000070686439	524558254	/nfs/dbraw/zinc/55/82/54/524558254.db2.gz	ZXBPYNJHTIRHRM-AHXUAXMRSA-N	1	0	440.584	3.102	50	0		IGAARO
COc1ccc(NC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)c(OC)c1	ZINC000021636548	524663403	/nfs/dbraw/zinc/66/34/03/524663403.db2.gz	IMJJJIXKLYMEMQ-UHFFFAOYSA-N	1	0	427.530	3.021	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C)[NH+]1CCCC1	ZINC000012800576	524733090	/nfs/dbraw/zinc/73/30/90/524733090.db2.gz	UPMOGCNDHWIMDK-RCZVLFRGSA-N	1	0	437.584	3.332	50	0		IGAARO
CSCCC[NH+]1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1	ZINC000012152561	525449497	/nfs/dbraw/zinc/44/94/97/525449497.db2.gz	HKZRWUICYOCAGW-OAHLLOKOSA-N	1	0	430.599	3.375	50	0		IGAARO
Cc1c2cnn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1	ZINC000020417089	525993871	/nfs/dbraw/zinc/99/38/71/525993871.db2.gz	DXBWOELBDRUOOT-UHFFFAOYSA-N	1	0	449.599	3.245	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1	ZINC000012296960	526515686	/nfs/dbraw/zinc/51/56/86/526515686.db2.gz	KTJKIOWZFACJIX-OXYJHPMESA-N	1	0	447.645	3.152	50	0		IGAARO
O=C([C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000020942625	526540285	/nfs/dbraw/zinc/54/02/85/526540285.db2.gz	NUHXTCFPCLMUMH-SFHVURJKSA-N	1	0	428.606	3.022	50	0		IGAARO
O=C(c1ccc(N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1)N1CCC[C@@H](O)C1	ZINC000012451574	526696513	/nfs/dbraw/zinc/69/65/13/526696513.db2.gz	XNRSKCMNSPAAHA-AREMUKBSSA-N	1	0	448.611	3.075	50	0		IGAARO
O=C(c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000021018055	526888280	/nfs/dbraw/zinc/88/82/80/526888280.db2.gz	ABBNURUXRBJWAR-UHFFFAOYSA-N	1	0	433.531	3.441	50	0		IGAARO
O=C1CCCc2cc(S(=O)(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)ccc2N1	ZINC000021888210	526984773	/nfs/dbraw/zinc/98/47/73/526984773.db2.gz	BCUNJTIZZGPEQU-UHFFFAOYSA-N	1	0	445.560	3.291	50	0		IGAARO
O=C(Cn1nc2ccccc2n1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1	ZINC000014950792	527419441	/nfs/dbraw/zinc/41/94/41/527419441.db2.gz	DZRXCLKMJDWRCJ-OAQYLSRUSA-N	1	0	425.577	3.094	50	0		IGAARO
O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OCCO)c2)CC1)c1cccc(F)c1	ZINC000012715487	527461185	/nfs/dbraw/zinc/46/11/85/527461185.db2.gz	CSKWQUPIXGUSID-UHFFFAOYSA-N	1	0	438.503	3.483	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1	ZINC000040744391	527580932	/nfs/dbraw/zinc/58/09/32/527580932.db2.gz	KRLOBYKAMRHZLW-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1ccc(N2CCCS2(=O)=O)cc1	ZINC000033267921	527611073	/nfs/dbraw/zinc/61/10/73/527611073.db2.gz	VBVGWBSCWWZLEY-UHFFFAOYSA-N	1	0	445.560	3.008	50	0		IGAARO
O=C(NCCCO)c1cn([C@@H]2CCC[N@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1	ZINC000012193288	527680031	/nfs/dbraw/zinc/68/00/31/527680031.db2.gz	BVPFALJTDFIYJA-GOSISDBHSA-N	1	0	443.935	3.141	50	0		IGAARO
CCCCC[n+]1cccc(C(=O)N2c3c(=O)[nH]c(NC(=O)C(C)C)nc3N[C@H](C)[C@@H]2C)c1	ZINC000008384361	535140383	/nfs/dbraw/zinc/14/03/83/535140383.db2.gz	PCFDDQPDTVFYPT-CVEARBPZSA-O	1	0	441.556	3.104	50	0		IGAARO
Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)CCC[C@@H]2O	ZINC000004214700	555976703	/nfs/dbraw/zinc/97/67/03/555976703.db2.gz	PMXMIIMHBWHSKN-IBGZPJMESA-N	1	0	426.492	3.081	50	0	fda	IGAARO
COc1ccc(OC)c([N+]2=C3CCCCCN3[C@](O)(c3ccc4c(c3)OCCO4)C2)c1	ZINC000002974559	556152770	/nfs/dbraw/zinc/15/27/70/556152770.db2.gz	VEHAZKPYTQYIJC-XMMPIXPASA-N	1	0	425.505	3.125	50	0		IGAARO
CCOc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCC(=O)NC(C)(C)C	ZINC000008443820	556178384	/nfs/dbraw/zinc/17/83/84/556178384.db2.gz	DOFOPISHKPHLMU-UHFFFAOYSA-N	1	0	431.371	3.002	50	0		IGAARO
CCn1cc(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)c2cc(Cl)ccc21	ZINC000065060051	556322034	/nfs/dbraw/zinc/32/20/34/556322034.db2.gz	OUZVSDBILUPQJX-UHFFFAOYSA-N	1	0	447.023	3.365	50	0		IGAARO
COc1cc(C[NH2+]CCOCCO)cc(Br)c1OCc1ccccc1F	ZINC000010435694	556334582	/nfs/dbraw/zinc/33/45/82/556334582.db2.gz	PPQFGPFALFAXJH-UHFFFAOYSA-N	1	0	428.298	3.274	50	0		IGAARO
COCCN(Cc1ccccc1OCCO)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000011661088	556342827	/nfs/dbraw/zinc/34/28/27/556342827.db2.gz	CVIGOFXYWKQMTN-JOCHJYFZSA-N	1	0	438.612	3.386	50	0		IGAARO
CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C[NH2+][C@@H](C)COC	ZINC000011841565	556365514	/nfs/dbraw/zinc/36/55/14/556365514.db2.gz	XHFXOCVUFBGJHH-AWEZNQCLSA-N	1	0	430.530	3.306	50	0		IGAARO
O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(C(=O)c2ccco2)CC1	ZINC000014244669	556404346	/nfs/dbraw/zinc/40/43/46/556404346.db2.gz	WPQZQACYBCIMFN-QGZVFWFLSA-N	1	0	438.553	3.053	50	0		IGAARO
CC[NH+]1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1	ZINC000014245943	556405803	/nfs/dbraw/zinc/40/58/03/556405803.db2.gz	PJCYEHVYBOZVEF-UHFFFAOYSA-N	1	0	429.615	3.394	50	0		IGAARO
COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](CC(C)(C)C)CC2)C1=O	ZINC000014537381	556423973	/nfs/dbraw/zinc/42/39/73/556423973.db2.gz	YOEQICZQUIDKCV-UHFFFAOYSA-N	1	0	431.577	3.029	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1ccco1)CC2	ZINC000014542709	556426461	/nfs/dbraw/zinc/42/64/61/556426461.db2.gz	SQCCWDHRSRMXAT-UHFFFAOYSA-N	1	0	441.528	3.124	50	0		IGAARO
C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000012985697	556426634	/nfs/dbraw/zinc/42/66/34/556426634.db2.gz	IFCNDZYQCYUXJK-IRXDYDNUSA-N	1	0	435.524	3.432	50	0		IGAARO
CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C/C=C/c1ccccc1OC)CC2	ZINC000014744420	556440418	/nfs/dbraw/zinc/44/04/18/556440418.db2.gz	GHKSBLRFMCDNLP-CSKARUKUSA-N	1	0	434.540	3.422	50	0		IGAARO
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2	ZINC000014745844	556441124	/nfs/dbraw/zinc/44/11/24/556441124.db2.gz	GLTVQHAXKWCKPW-UHFFFAOYSA-N	1	0	448.567	3.472	50	0		IGAARO
Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1F	ZINC000014754241	556444745	/nfs/dbraw/zinc/44/47/45/556444745.db2.gz	BHBQALHJMBZNIV-IBGZPJMESA-N	1	0	428.552	3.106	50	0		IGAARO
C[NH+]1CCN(CCNC(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1	ZINC000022936575	556445823	/nfs/dbraw/zinc/44/58/23/556445823.db2.gz	DQDKDJAMXWJHBP-UHFFFAOYSA-N	1	0	440.551	3.065	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl	ZINC000013068516	556452586	/nfs/dbraw/zinc/45/25/86/556452586.db2.gz	GVZKNGQRKLESST-QGZVFWFLSA-N	1	0	435.977	3.379	50	0		IGAARO
O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2	ZINC000014881734	556453743	/nfs/dbraw/zinc/45/37/43/556453743.db2.gz	PTUKHZZNKSFTNE-UHFFFAOYSA-N	1	0	447.514	3.123	50	0		IGAARO
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000013097916	556458752	/nfs/dbraw/zinc/45/87/52/556458752.db2.gz	RAVHCGZYSWQNTF-UHFFFAOYSA-N	1	0	438.557	3.388	50	0		IGAARO
CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(-n2cnnn2)cc1	ZINC000014953403	556461194	/nfs/dbraw/zinc/46/11/94/556461194.db2.gz	WMMZCDZRFNGASE-IBGZPJMESA-N	1	0	438.963	3.342	50	0		IGAARO
COC(=O)c1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)cc1	ZINC000014957809	556463068	/nfs/dbraw/zinc/46/30/68/556463068.db2.gz	ZMKMQPACOIFTHD-LJQANCHMSA-N	1	0	430.574	3.252	50	0		IGAARO
COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCN(c2ccccc2)CC1)C3	ZINC000014971756	556467320	/nfs/dbraw/zinc/46/73/20/556467320.db2.gz	FKBJJPQFDXSSKY-LJQANCHMSA-N	1	0	438.597	3.174	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1	ZINC000014976580	556468995	/nfs/dbraw/zinc/46/89/95/556468995.db2.gz	XLGDSXDFEWWTMV-FQEVSTJZSA-N	1	0	442.604	3.050	50	0		IGAARO
COc1ccc(CN(C)Cc2ccon2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014981345	556470829	/nfs/dbraw/zinc/47/08/29/556470829.db2.gz	ACZAKFCSSSVARA-QFIPXVFZSA-N	1	0	425.529	3.187	50	0		IGAARO
CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	ZINC000014984361	556471937	/nfs/dbraw/zinc/47/19/37/556471937.db2.gz	LIVJZXGWNHYUCS-LJQANCHMSA-N	1	0	439.604	3.139	50	0		IGAARO
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000072282473	556472398	/nfs/dbraw/zinc/47/23/98/556472398.db2.gz	BKCBUFUQWLGRAL-INIZCTEOSA-N	1	0	439.959	3.087	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4OC)C3)cc2C)CC1	ZINC000029404808	556474743	/nfs/dbraw/zinc/47/47/43/556474743.db2.gz	SBTBJEGOHNZIKZ-IBGZPJMESA-N	1	0	436.556	3.137	50	0		IGAARO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1	ZINC000013163815	556494756	/nfs/dbraw/zinc/49/47/56/556494756.db2.gz	RKBLQKAWTPTPLY-HXUWFJFHSA-N	1	0	440.613	3.285	50	0		IGAARO
COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccc(F)cc1Cl	ZINC000013566321	556519233	/nfs/dbraw/zinc/51/92/33/556519233.db2.gz	WMRGGAVVHXPXNI-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)CN1Cc1cccc(Cl)c1	ZINC000032577679	556540834	/nfs/dbraw/zinc/54/08/34/556540834.db2.gz	XVIKWZTZGUOPMN-GOTSBHOMSA-N	1	0	429.992	3.452	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000032970915	556588826	/nfs/dbraw/zinc/58/88/26/556588826.db2.gz	KXPFEKWROSAOSX-LJQANCHMSA-N	1	0	435.615	3.264	50	0		IGAARO
CC(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000036146500	556594102	/nfs/dbraw/zinc/59/41/02/556594102.db2.gz	YVDVTOHDOZGQPC-RTWAWAEBSA-N	1	0	444.503	3.336	50	0		IGAARO
CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036314002	556596557	/nfs/dbraw/zinc/59/65/57/556596557.db2.gz	QPJSXNKFXCXNND-QFIPXVFZSA-N	1	0	443.588	3.424	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[N@H+]3CCCC[C@H]3C)s2)cc1	ZINC000032987100	556606933	/nfs/dbraw/zinc/60/69/33/556606933.db2.gz	IXEZWANZNZAMIN-MRXNPFEDSA-N	1	0	447.630	3.323	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NCC[N@H+]2CCCC[C@H]2C)s1	ZINC000032987334	556607402	/nfs/dbraw/zinc/60/74/02/556607402.db2.gz	OOSURDROVNGPBV-MRXNPFEDSA-N	1	0	447.630	3.323	50	0		IGAARO
O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCCCC1	ZINC000032995443	556610720	/nfs/dbraw/zinc/61/07/20/556610720.db2.gz	UGKOYLGNFLWMKO-UHFFFAOYSA-N	1	0	433.553	3.244	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3sccc3n21	ZINC000005109032	556636151	/nfs/dbraw/zinc/63/61/51/556636151.db2.gz	NJDLGULWXPZTSU-HOTGVXAUSA-N	1	0	429.590	3.042	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1	ZINC000409413230	556640459	/nfs/dbraw/zinc/64/04/59/556640459.db2.gz	FZNAWLRQUUNJGH-YTFSRNRJSA-N	1	0	443.636	3.049	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000016780569	556641607	/nfs/dbraw/zinc/64/16/07/556641607.db2.gz	VGTCUPNKFXIRJE-UHFFFAOYSA-N	1	0	429.586	3.243	50	0		IGAARO
CC(C)Oc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br	ZINC000040730908	556649080	/nfs/dbraw/zinc/64/90/80/556649080.db2.gz	OERAFJKMRAWRER-UHFFFAOYSA-N	1	0	427.364	3.216	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1	ZINC000017012239	556652803	/nfs/dbraw/zinc/65/28/03/556652803.db2.gz	XLOGBRLPHLSPDU-UHFFFAOYSA-N	1	0	429.952	3.400	50	0		IGAARO
COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000032929488	556671906	/nfs/dbraw/zinc/67/19/06/556671906.db2.gz	RTPRLAZCOZOHTI-LLVKDONJSA-N	1	0	425.776	3.264	50	0		IGAARO
COc1cc(OC)cc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)c1	ZINC000018088268	556683594	/nfs/dbraw/zinc/68/35/94/556683594.db2.gz	XNFGJXILMQFTLG-FQEVSTJZSA-N	1	0	427.888	3.303	50	0		IGAARO
CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000033033017	556713490	/nfs/dbraw/zinc/71/34/90/556713490.db2.gz	OYHIZWDCFSXXRN-UHFFFAOYSA-N	1	0	444.601	3.159	50	0		IGAARO
COc1ccc(CN2C[C@@H](OCc3ccccc3F)C[N@@H+](C3CCOCC3)CC2=O)cc1	ZINC000019224484	556716690	/nfs/dbraw/zinc/71/66/90/556716690.db2.gz	ZUSQRWMSXCHJKG-QHCPKHFHSA-N	1	0	442.531	3.243	50	0		IGAARO
CCOc1ccccc1C(=O)N1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1	ZINC000058168520	556767266	/nfs/dbraw/zinc/76/72/66/556767266.db2.gz	NRYXHWKIHDROFM-UHFFFAOYSA-N	1	0	430.593	3.111	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1	ZINC000058305295	556779065	/nfs/dbraw/zinc/77/90/65/556779065.db2.gz	AYASBKWYUFCMEU-GOSISDBHSA-N	1	0	436.603	3.347	50	0		IGAARO
COc1ccc(OC)c(S(=O)(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1	ZINC000059017990	556794266	/nfs/dbraw/zinc/79/42/66/556794266.db2.gz	PPVRZMJXUQHREW-JOCHJYFZSA-N	1	0	432.586	3.455	50	0		IGAARO
COc1cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc(OC)c1	ZINC000065362714	556834691	/nfs/dbraw/zinc/83/46/91/556834691.db2.gz	PFVLRKBDFJLSSB-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	ZINC000334160583	556836753	/nfs/dbraw/zinc/83/67/53/556836753.db2.gz	HXEIHKHFFOBEJW-WMZHIEFXSA-N	1	0	426.561	3.438	50	0		IGAARO
O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1	ZINC000067789873	556846501	/nfs/dbraw/zinc/84/65/01/556846501.db2.gz	APOAINWQWNIOEO-NRFANRHFSA-N	1	0	434.584	3.358	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc1	ZINC000033254563	556890736	/nfs/dbraw/zinc/89/07/36/556890736.db2.gz	XNDHBTDARPOUQZ-HXUWFJFHSA-N	1	0	435.634	3.167	50	0		IGAARO
c1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc2c1OCC2	ZINC000019770586	556912814	/nfs/dbraw/zinc/91/28/14/556912814.db2.gz	FJCXVTYIJPQXGJ-HSZRJFAPSA-N	1	0	435.568	3.132	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1	ZINC000023086526	556997366	/nfs/dbraw/zinc/99/73/66/556997366.db2.gz	KFCQDWVSKARZCW-DEOSSOPVSA-N	1	0	436.531	3.172	50	0		IGAARO
CCc1nn2c(nc(C[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)CC(C)C)cc2=O)s1	ZINC000046032403	557024801	/nfs/dbraw/zinc/02/48/01/557024801.db2.gz	SXKZFKWPYJGCSZ-UHFFFAOYSA-N	1	0	446.573	3.397	50	0		IGAARO
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000022920125	557047067	/nfs/dbraw/zinc/04/70/67/557047067.db2.gz	YKGKPMBNWZGLNJ-QGZVFWFLSA-N	1	0	429.524	3.154	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1	ZINC000022921058	557047262	/nfs/dbraw/zinc/04/72/62/557047262.db2.gz	NLQWCDFIRRZLNQ-BKMJKUGQSA-N	1	0	440.584	3.277	50	0		IGAARO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1	ZINC000048353831	557072353	/nfs/dbraw/zinc/07/23/53/557072353.db2.gz	QNVGDCPULBGWFK-QGZVFWFLSA-N	1	0	426.948	3.474	50	0		IGAARO
O=S(=O)(c1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)cnc2c1)N1CCCCC1	ZINC000033301581	557083423	/nfs/dbraw/zinc/08/34/23/557083423.db2.gz	OORRPYWGLGRXBH-UHFFFAOYSA-N	1	0	443.617	3.259	50	0		IGAARO
O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccccc1I	ZINC000023355023	557086939	/nfs/dbraw/zinc/08/69/39/557086939.db2.gz	NKBZDUQJLWWQOU-UHFFFAOYSA-N	1	0	449.336	3.438	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)c2C1	ZINC000049400669	557096357	/nfs/dbraw/zinc/09/63/57/557096357.db2.gz	QNJNECVKLUQEBI-UHFFFAOYSA-N	1	0	448.498	3.269	50	0		IGAARO
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@@H](C)CCn3cccn3)CC2)c1	ZINC000023620127	557101499	/nfs/dbraw/zinc/10/14/99/557101499.db2.gz	BXDJXPOXPJUELL-IBGZPJMESA-N	1	0	426.561	3.450	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccc(F)c1	ZINC000017794317	557123001	/nfs/dbraw/zinc/12/30/01/557123001.db2.gz	BLUIOYFVARSZOY-SFHVURJKSA-N	1	0	436.325	3.127	50	0		IGAARO
Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000024968277	557183457	/nfs/dbraw/zinc/18/34/57/557183457.db2.gz	TYUSLIYCFJCXFA-UHFFFAOYSA-N	1	0	429.590	3.190	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)CCn2c3ccccc3n(C)c2=O)c2cccs2)CC1	ZINC000024983988	557185875	/nfs/dbraw/zinc/18/58/75/557185875.db2.gz	MQGMUOXTUPCDTH-HXUWFJFHSA-N	1	0	426.586	3.381	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1	ZINC000025421468	557208924	/nfs/dbraw/zinc/20/89/24/557208924.db2.gz	JAXWDNJORATTIN-JOCHJYFZSA-N	1	0	431.602	3.069	50	0		IGAARO
CCC[NH+]1CCN(C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1	ZINC000025480322	557211838	/nfs/dbraw/zinc/21/18/38/557211838.db2.gz	HRHHUJZIIOFION-JOCHJYFZSA-N	1	0	428.573	3.198	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C	ZINC000026566951	557245072	/nfs/dbraw/zinc/24/50/72/557245072.db2.gz	HCOUQBUBTVKBKQ-QFIPXVFZSA-N	1	0	444.526	3.418	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)NCc2ccc(N3CCOCC3)nc2)c2cccs2)CC1	ZINC000027334784	557260493	/nfs/dbraw/zinc/26/04/93/557260493.db2.gz	RTAZJUHGAIMEDQ-HXUWFJFHSA-N	1	0	443.617	3.252	50	0		IGAARO
COc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000027663570	557269739	/nfs/dbraw/zinc/26/97/39/557269739.db2.gz	AXEQXYJMSXGFCX-LJQANCHMSA-N	1	0	447.963	3.084	50	0		IGAARO
CCCCc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1	ZINC000004851720	557397017	/nfs/dbraw/zinc/39/70/17/557397017.db2.gz	XSHWCBXVKBWNDY-UHFFFAOYSA-N	1	0	428.602	3.367	50	0		IGAARO
NC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)c2)cc1	ZINC000045373881	557543291	/nfs/dbraw/zinc/54/32/91/557543291.db2.gz	SCIFUGGHOXNSJC-UHFFFAOYSA-N	1	0	443.507	3.005	50	0	in-vitro	IGAARO
C[NH+](C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2cc3c(cc2s1)OCO3	ZINC000010068135	562978390	/nfs/dbraw/zinc/97/83/90/562978390.db2.gz	SASXJCFLIRPJQR-UHFFFAOYSA-N	1	0	441.509	3.395	50	0		IGAARO
Cn1nnnc1SCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1	ZINC000261492418	568734775	/nfs/dbraw/zinc/73/47/75/568734775.db2.gz	AGBJIPYZHNCCOM-UHFFFAOYSA-N	1	0	440.964	3.052	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c(C)c1C	ZINC000299771518	568756611	/nfs/dbraw/zinc/75/66/11/568756611.db2.gz	PXUMIAMPLMWPHX-UHFFFAOYSA-N	1	0	437.544	3.102	50	0		IGAARO
Cc1ccc2c(c1)cc(C[NH2+][C@@H]1CCS(=O)(=O)C1)c(=O)n2Cc1ccccc1Cl	ZINC000299788590	568757629	/nfs/dbraw/zinc/75/76/29/568757629.db2.gz	VGJTWHFNDXNEBU-LJQANCHMSA-N	1	0	430.957	3.288	50	0		IGAARO
Cn1cc(CC[N@H+](C)[C@@H]2CCc3c(sc4ncn(Cc5ccccc5)c(=O)c34)C2)cn1	ZINC000299796589	568757837	/nfs/dbraw/zinc/75/78/37/568757837.db2.gz	OVNHWZTUIRLKMI-LJQANCHMSA-N	1	0	433.581	3.272	50	0		IGAARO
CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1	ZINC000045944699	568783772	/nfs/dbraw/zinc/78/37/72/568783772.db2.gz	PFWAZDPFHUHECV-UHFFFAOYSA-N	1	0	435.634	3.030	50	0		IGAARO
Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1S(=O)(=O)NCc1ccccc1	ZINC000084190091	568796090	/nfs/dbraw/zinc/79/60/90/568796090.db2.gz	CZENFDPNHXOHMJ-UHFFFAOYSA-N	1	0	441.597	3.174	50	0		IGAARO
CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000015681892	568806967	/nfs/dbraw/zinc/80/69/67/568806967.db2.gz	HDSHOLVLHVPBCY-QGZVFWFLSA-N	1	0	426.561	3.401	50	0		IGAARO
CCOC(=O)c1noc2ncnc(NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c12	ZINC000015735187	568816539	/nfs/dbraw/zinc/81/65/39/568816539.db2.gz	PMMZGRRCLUFZOE-UHFFFAOYSA-N	1	0	438.532	3.036	50	0		IGAARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015996832	568862105	/nfs/dbraw/zinc/86/21/05/568862105.db2.gz	QJSXYMDBXXURBE-IMIIHFCZSA-N	1	0	429.520	3.149	50	0		IGAARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015996847	568862108	/nfs/dbraw/zinc/86/21/08/568862108.db2.gz	UXADPAGYIDYXOP-IMIIHFCZSA-N	1	0	429.520	3.149	50	0		IGAARO
CC(C)[C@@H]1CC[C@H](C)[C@@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000022925011	568877398	/nfs/dbraw/zinc/87/73/98/568877398.db2.gz	KFATVLPNODVFKD-OHCHIEETSA-N	1	0	432.605	3.371	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1	ZINC000240626751	568911887	/nfs/dbraw/zinc/91/18/87/568911887.db2.gz	HJAGGNIYQASAOM-FCHUYYIVSA-N	1	0	437.584	3.165	50	0		IGAARO
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000242273556	568912564	/nfs/dbraw/zinc/91/25/64/568912564.db2.gz	YDSBGJOVIVWEAV-DJPFJPOOSA-N	1	0	447.373	3.216	50	0		IGAARO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245326456	568914992	/nfs/dbraw/zinc/91/49/92/568914992.db2.gz	KHHKVDWKRIGLCF-DWKCODDLSA-N	1	0	439.874	3.219	50	0		IGAARO
CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064839444	568969677	/nfs/dbraw/zinc/96/96/77/568969677.db2.gz	KBJCMQXGHVDIOJ-NRFANRHFSA-N	1	0	431.540	3.088	50	0		IGAARO
CCOC[C@H](O)CN(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313034	568998100	/nfs/dbraw/zinc/99/81/00/568998100.db2.gz	SMCYUWWBHPMGMS-OAQYLSRUSA-N	1	0	430.593	3.093	50	0		IGAARO
C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000036394353	569098616	/nfs/dbraw/zinc/09/86/16/569098616.db2.gz	LLIRIZDBEXDFMU-OXJNMPFZSA-N	1	0	444.373	3.348	50	0		IGAARO
CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)C2)ncn1	ZINC000169783694	569104190	/nfs/dbraw/zinc/10/41/90/569104190.db2.gz	IFKLEHNDHLMXJJ-SFTDATJTSA-N	1	0	428.625	3.239	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(F)c1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153585	569112048	/nfs/dbraw/zinc/11/20/48/569112048.db2.gz	QSDWZSVYHAQSLN-UHFFFAOYSA-N	1	0	438.478	3.281	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2	ZINC000065210594	569116300	/nfs/dbraw/zinc/11/63/00/569116300.db2.gz	ZAUGZKOYGOWPCH-UHFFFAOYSA-N	1	0	427.570	3.044	50	0		IGAARO
O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCN(c2ccccc2)CC1	ZINC000065255983	569122977	/nfs/dbraw/zinc/12/29/77/569122977.db2.gz	WQVKRSNPOBMVLH-DEOSSOPVSA-N	1	0	427.552	3.195	50	0		IGAARO
CC[N@H+](C)Cc1cccc(CNc2c(F)cc(S(N)(=O)=O)cc2Br)c1	ZINC000170595686	569141805	/nfs/dbraw/zinc/14/18/05/569141805.db2.gz	YSAKYUYPEOJNDI-UHFFFAOYSA-N	1	0	430.343	3.299	50	0		IGAARO
CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1	ZINC000170614542	569146424	/nfs/dbraw/zinc/14/64/24/569146424.db2.gz	NONATOUIECKAPG-UXHICEINSA-N	1	0	433.474	3.315	50	0		IGAARO
C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170621515	569147637	/nfs/dbraw/zinc/14/76/37/569147637.db2.gz	QBUHMEOSCJEHJZ-RTBURBONSA-N	1	0	448.583	3.417	50	0		IGAARO
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)c1	ZINC000014528499	569159390	/nfs/dbraw/zinc/15/93/90/569159390.db2.gz	QHLLRNGGAAHQFE-UHFFFAOYSA-N	1	0	427.570	3.461	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)COC(=O)CCc1nc(-c2cccs2)no1)c1ccco1	ZINC000089967804	569169272	/nfs/dbraw/zinc/16/92/72/569169272.db2.gz	GLFWUKFGUCWICP-OAHLLOKOSA-N	1	0	446.529	3.066	50	0		IGAARO
CNC(=O)c1ccc(CN(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1	ZINC000252515790	569189141	/nfs/dbraw/zinc/18/91/41/569189141.db2.gz	NONATOUIECKAPG-VQTJNVASSA-N	1	0	433.474	3.315	50	0		IGAARO
COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)C1CCC1	ZINC000034834754	569189782	/nfs/dbraw/zinc/18/97/82/569189782.db2.gz	PTMCXDFAKZCQTD-UHFFFAOYSA-N	1	0	439.604	3.098	50	0		IGAARO
Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c2)n1	ZINC000078975252	569321149	/nfs/dbraw/zinc/32/11/49/569321149.db2.gz	GDMHGZPAMCLMGT-ZJSXRUAMSA-N	1	0	433.556	3.494	50	0		IGAARO
CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000095451696	569367887	/nfs/dbraw/zinc/36/78/87/569367887.db2.gz	PVQHRWGKOIAPBW-HYBUGGRVSA-N	1	0	437.625	3.421	50	0		IGAARO
CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O2	ZINC000095455506	569368529	/nfs/dbraw/zinc/36/85/29/569368529.db2.gz	MLIIPJIXOWWSFX-NTKDMRAZSA-N	1	0	429.561	3.492	50	0		IGAARO
COc1ccc(Cl)cc1NCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000096008247	569379582	/nfs/dbraw/zinc/37/95/82/569379582.db2.gz	FLYXNXRBPQBQQR-HXUWFJFHSA-N	1	0	431.964	3.424	50	0		IGAARO
C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000096013620	569380348	/nfs/dbraw/zinc/38/03/48/569380348.db2.gz	HJXNYLHTTCDXPX-SXLOBPIMSA-N	1	0	433.549	3.012	50	0		IGAARO
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1	ZINC000056896327	569427393	/nfs/dbraw/zinc/42/73/93/569427393.db2.gz	GNHWAPIJHYBKFK-QHCPKHFHSA-N	1	0	440.544	3.063	50	0		IGAARO
CCCCNC(=O)CSc1nc2ccccc2c2nc(CC[NH+]3CCCCC3)nn21	ZINC000002968876	569433094	/nfs/dbraw/zinc/43/30/94/569433094.db2.gz	XMLYLJMBAWPHPI-UHFFFAOYSA-N	1	0	426.590	3.314	50	0		IGAARO
CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@@H](OCC)C12CCCCC2	ZINC000230089038	569434300	/nfs/dbraw/zinc/43/43/00/569434300.db2.gz	PPXYOHXTTKWUHJ-FGZHOGPDSA-N	1	0	445.604	3.007	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21	ZINC000230080898	569434314	/nfs/dbraw/zinc/43/43/14/569434314.db2.gz	QQFZVKLOOLULLM-REWPJTCUSA-N	1	0	436.556	3.319	50	0		IGAARO
O=C(CN1N=C(c2ccccc2)CCC1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1	ZINC000008812385	569476582	/nfs/dbraw/zinc/47/65/82/569476582.db2.gz	GYDKMMGUUJMPOU-UHFFFAOYSA-N	1	0	432.568	3.084	50	0		IGAARO
CC[C@H](O)CN(CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1	ZINC000245279563	569502027	/nfs/dbraw/zinc/50/20/27/569502027.db2.gz	IEDJLCVKGJXDNC-SIKLNZKXSA-N	1	0	446.613	3.281	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)n2)cc1	ZINC000009431595	569534269	/nfs/dbraw/zinc/53/42/69/569534269.db2.gz	BDYPXDFSBFBVCX-FQEVSTJZSA-N	1	0	441.576	3.200	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	ZINC000009585195	569549480	/nfs/dbraw/zinc/54/94/80/569549480.db2.gz	ALCUAPVCBGUSCX-HXUWFJFHSA-N	1	0	436.556	3.058	50	0		IGAARO
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C)CC2)c1	ZINC000009631339	569553739	/nfs/dbraw/zinc/55/37/39/569553739.db2.gz	KXJBOIMYFUXUEW-UHFFFAOYSA-N	1	0	439.940	3.082	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(F)cc3)nc1=O)CCC2	ZINC000009746135	569565740	/nfs/dbraw/zinc/56/57/40/569565740.db2.gz	GOORKWAKLPLTQN-UHFFFAOYSA-N	1	0	432.565	3.334	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)N2CCc3ccccc32)c2c1CCCC2	ZINC000009747088	569565848	/nfs/dbraw/zinc/56/58/48/569565848.db2.gz	LVKMJIWDURVZOF-UHFFFAOYSA-N	1	0	440.613	3.145	50	0		IGAARO
O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000071282593	569573680	/nfs/dbraw/zinc/57/36/80/569573680.db2.gz	XZROEWDARXCHDO-UHFFFAOYSA-N	1	0	436.943	3.345	50	0		IGAARO
Cc1cn(Cc2ccc(C(=O)NCC[NH+](C)C)o2)/c(=N/C(=O)c2cccc(Cl)c2)s1	ZINC000037437983	569588072	/nfs/dbraw/zinc/58/80/72/569588072.db2.gz	FMMIEFHEIUWQOB-FLFQWRMESA-N	1	0	446.960	3.185	50	0		IGAARO
COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c(OC)c1OC	ZINC000004173253	132270823	/nfs/dbraw/zinc/27/08/23/132270823.db2.gz	VUABBSXKLYRHFN-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2cc(C)cc(C)c2)CC1	ZINC000004711669	132272940	/nfs/dbraw/zinc/27/29/40/132272940.db2.gz	BGYSGRIVTXUICF-UHFFFAOYSA-N	1	0	425.529	3.249	50	0		IGAARO
CC[C@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O	ZINC000008812241	132294633	/nfs/dbraw/zinc/29/46/33/132294633.db2.gz	HFTPAHCHGKSJQI-HSZRJFAPSA-N	1	0	435.568	3.262	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009153023	132306971	/nfs/dbraw/zinc/30/69/71/132306971.db2.gz	JYIMOYQXGRICCX-LJQANCHMSA-N	1	0	441.624	3.007	50	0		IGAARO
CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)CC1	ZINC000015070488	518663943	/nfs/dbraw/zinc/66/39/43/518663943.db2.gz	ZWCUSUWFXSOTBJ-GOSISDBHSA-N	1	0	449.551	3.291	50	0		IGAARO
CCCCCC(=O)N1CCN(c2nc(C[N@H+](CC)Cc3ccccc3)cc(=O)[nH]2)CC1	ZINC000035926510	519926063	/nfs/dbraw/zinc/92/60/63/519926063.db2.gz	AXNDWEGOKYAODL-UHFFFAOYSA-N	1	0	425.577	3.021	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc3nnc(-c4cccc(C)c4)n3n2)CC1	ZINC000033260214	520609606	/nfs/dbraw/zinc/60/96/06/520609606.db2.gz	PDZPKHHXBHKLNR-UHFFFAOYSA-N	1	0	449.603	3.164	50	0		IGAARO
CC[NH+](CC)CCCn1cc2c(c1-c1cccc(Br)c1)c(=O)n(C)c(=O)n2C	ZINC000021150174	520638354	/nfs/dbraw/zinc/63/83/54/520638354.db2.gz	SADPAHIYVRHZBU-UHFFFAOYSA-N	1	0	447.377	3.200	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1	ZINC000012456331	520844019	/nfs/dbraw/zinc/84/40/19/520844019.db2.gz	WZNWRQBPMJENMB-LJQANCHMSA-N	1	0	443.588	3.031	50	0		IGAARO
CC[N@H+](CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2)Cc1ccccc1	ZINC000020978225	521079664	/nfs/dbraw/zinc/07/96/64/521079664.db2.gz	UXICNIHCEAJVIP-MRXNPFEDSA-N	1	0	433.599	3.167	50	0		IGAARO
CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)c1	ZINC000022809432	521548208	/nfs/dbraw/zinc/54/82/08/521548208.db2.gz	UVKAVXQXORDLJD-ZJSXRUAMSA-N	1	0	442.556	3.038	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC	ZINC000012135177	521657561	/nfs/dbraw/zinc/65/75/61/521657561.db2.gz	GTKCSYLJQMKRSI-INIZCTEOSA-N	1	0	440.573	3.060	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1	ZINC000020985635	521680667	/nfs/dbraw/zinc/68/06/67/521680667.db2.gz	JFBPNGHESPARLR-UHFFFAOYSA-N	1	0	442.629	3.009	50	0		IGAARO
Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1	ZINC000012560003	521823657	/nfs/dbraw/zinc/82/36/57/521823657.db2.gz	AEGMYUOBZGMWBN-HXUWFJFHSA-N	1	0	437.569	3.184	50	0		IGAARO
CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1	ZINC000012452606	521967272	/nfs/dbraw/zinc/96/72/72/521967272.db2.gz	SFXYRARUGXHROA-UHFFFAOYSA-N	1	0	429.011	3.378	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CC[NH+](C)CC1)c1ccccc1S2	ZINC000022446685	521992698	/nfs/dbraw/zinc/99/26/98/521992698.db2.gz	VZYCZNZBPPHOFY-UHFFFAOYSA-N	1	0	446.642	3.177	50	0	world	IGAARO
COCCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O	ZINC000022697764	522064348	/nfs/dbraw/zinc/06/43/48/522064348.db2.gz	SCNWEFQVMQEFOG-VWLOTQADSA-N	1	0	448.567	3.124	50	0		IGAARO
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000012753130	522309868	/nfs/dbraw/zinc/30/98/68/522309868.db2.gz	MIIFSVKFENBIJC-IIBYNOLFSA-N	1	0	443.979	3.270	50	0		IGAARO
CCc1nccn1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000012306915	522581754	/nfs/dbraw/zinc/58/17/54/522581754.db2.gz	GVSQXPKLERFVKG-NRFANRHFSA-N	1	0	429.996	3.302	50	0		IGAARO
C[N@H+](CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)C1CCCCC1	ZINC000021868254	522755980	/nfs/dbraw/zinc/75/59/80/522755980.db2.gz	KIRDINSBKOWCPK-UHFFFAOYSA-N	1	0	429.517	3.358	50	0		IGAARO
C[N@H+](CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)C1CCCCC1	ZINC000020682571	522756434	/nfs/dbraw/zinc/75/64/34/522756434.db2.gz	YEGRAMJQEFBJJU-QHCPKHFHSA-N	1	0	437.588	3.174	50	0		IGAARO
CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)c2cc(C)ccc2O1	ZINC000020902433	523394462	/nfs/dbraw/zinc/39/44/62/523394462.db2.gz	GDFVMKIHKXCIGH-HXUWFJFHSA-N	1	0	428.577	3.016	50	0		IGAARO
CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O	ZINC000021938523	524031651	/nfs/dbraw/zinc/03/16/51/524031651.db2.gz	PWMNTRSFYCTWJE-HSZRJFAPSA-N	1	0	432.568	3.416	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	ZINC000021860346	524111697	/nfs/dbraw/zinc/11/16/97/524111697.db2.gz	HHQSYSXBHQMACU-LJQANCHMSA-N	1	0	443.551	3.302	50	0		IGAARO
COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN(C)Cc4cccnc4)C3)C2)c1	ZINC000012448381	524272926	/nfs/dbraw/zinc/27/29/26/524272926.db2.gz	XMALHBSQSRDNKY-VWLOTQADSA-N	1	0	440.563	3.176	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)cc1	ZINC000012731284	524688770	/nfs/dbraw/zinc/68/87/70/524688770.db2.gz	SXZZVXHVICKHDI-UHFFFAOYSA-N	1	0	433.574	3.345	50	0		IGAARO
COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000057381166	524725472	/nfs/dbraw/zinc/72/54/72/524725472.db2.gz	STZIYFSQSHWUJY-ZIAGYGMSSA-N	1	0	439.965	3.277	50	0		IGAARO
Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)cc1Cl	ZINC000020533226	524932212	/nfs/dbraw/zinc/93/22/12/524932212.db2.gz	CPGNFSFYWLEBFI-LTGZKZEYSA-N	1	0	439.943	3.488	50	0		IGAARO
Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ccc(=O)n(C)n2)C2CCCC2)CC1	ZINC000012072732	525108385	/nfs/dbraw/zinc/10/83/85/525108385.db2.gz	ZBKRHCHNFBCYSJ-UHFFFAOYSA-N	1	0	436.600	3.428	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2=NN(C)C(=O)CC2)CC1	ZINC000012434509	525137234	/nfs/dbraw/zinc/13/72/34/525137234.db2.gz	VDYFXVZQKFADHB-UHFFFAOYSA-N	1	0	447.583	3.239	50	0		IGAARO
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1	ZINC000058192160	525206896	/nfs/dbraw/zinc/20/68/96/525206896.db2.gz	XKHMRUKHUIQCQO-HZPDHXFCSA-N	1	0	438.410	3.442	50	0		IGAARO
COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1	ZINC000012799469	525250136	/nfs/dbraw/zinc/25/01/36/525250136.db2.gz	NPYXDRDKUKRAOJ-NRFANRHFSA-N	1	0	434.558	3.170	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)[NH+]2CCCCC2)cc1	ZINC000012697757	525359219	/nfs/dbraw/zinc/35/92/19/525359219.db2.gz	LPWXCFMORTZCAR-QFIPXVFZSA-N	1	0	435.524	3.306	50	0		IGAARO
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000014513574	525394827	/nfs/dbraw/zinc/39/48/27/525394827.db2.gz	RVEWOYMYECLAQB-UHFFFAOYSA-N	1	0	445.585	3.036	50	0		IGAARO
Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2	ZINC000012128489	525624734	/nfs/dbraw/zinc/62/47/34/525624734.db2.gz	GUYFNQZVMXHVBU-GOSISDBHSA-N	1	0	430.556	3.198	50	0		IGAARO
Cc1c(Nc2ccc(C[NH2+]CC(C)(C)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000022918950	525879298	/nfs/dbraw/zinc/87/92/98/525879298.db2.gz	CEFHYNFYNCWIKX-UHFFFAOYSA-N	1	0	449.599	3.428	50	0		IGAARO
C[C@@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O	ZINC000022793593	525903308	/nfs/dbraw/zinc/90/33/08/525903308.db2.gz	AJSBHIOHEIHDTC-SANMLTNESA-N	1	0	428.536	3.382	50	0		IGAARO
COc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	ZINC000012279520	525955611	/nfs/dbraw/zinc/95/56/11/525955611.db2.gz	HVIZWIBNFOQZGE-JOCHJYFZSA-N	1	0	448.571	3.257	50	0		IGAARO
CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2=O)cc1	ZINC000012751099	526022980	/nfs/dbraw/zinc/02/29/80/526022980.db2.gz	QIRVRDSQASGGKH-SFHVURJKSA-N	1	0	438.597	3.460	50	0		IGAARO
COc1cccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2=O)c1	ZINC000012875802	526162806	/nfs/dbraw/zinc/16/28/06/526162806.db2.gz	GEJHUYMWWJNREM-GOSISDBHSA-N	1	0	441.959	3.482	50	0		IGAARO
Cc1ccc(C(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)Cc3ccccc3)c2)cc1	ZINC000035514075	526227304	/nfs/dbraw/zinc/22/73/04/526227304.db2.gz	QLRFZEVILHDTNF-UHFFFAOYSA-N	1	0	443.551	3.324	50	0		IGAARO
Cc1nn(CCCC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21	ZINC000020866588	526279481	/nfs/dbraw/zinc/27/94/81/526279481.db2.gz	XDOBVMVSRVUDCF-IRXDYDNUSA-N	1	0	427.549	3.100	50	0		IGAARO
Cc1oc2cc(OCCN3CC[NH+](CCO)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1	ZINC000020591783	526779980	/nfs/dbraw/zinc/77/99/80/526779980.db2.gz	QISMBMBZJFYXGM-UHFFFAOYSA-N	1	0	442.943	3.411	50	0		IGAARO
O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCCCC1	ZINC000033011985	527082507	/nfs/dbraw/zinc/08/25/07/527082507.db2.gz	DXQCZHXCKKUSGT-UHFFFAOYSA-N	1	0	433.603	3.265	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12	ZINC000020611457	527091593	/nfs/dbraw/zinc/09/15/93/527091593.db2.gz	RYAXDTKARVYBRK-NBCVKUGOSA-N	1	0	443.547	3.373	50	0		IGAARO
O=C(Nc1ccc(N2CCC([NH2+]CCCN3CCOCC3)CC2)cc1)c1ccccc1F	ZINC000015071387	527221276	/nfs/dbraw/zinc/22/12/76/527221276.db2.gz	HPFIVAREAZDSBR-UHFFFAOYSA-N	1	0	440.563	3.359	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1	ZINC000035455257	527663646	/nfs/dbraw/zinc/66/36/46/527663646.db2.gz	XZAMKHWMPJMWPQ-UHFFFAOYSA-N	1	0	425.552	3.491	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1	ZINC000011703849	535560459	/nfs/dbraw/zinc/56/04/59/535560459.db2.gz	WIOCYEONRUITRP-OAQYLSRUSA-N	1	0	433.600	3.449	50	0		IGAARO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1	ZINC000009222659	535747089	/nfs/dbraw/zinc/74/70/89/535747089.db2.gz	WQRABDJUVIRLML-UHFFFAOYSA-N	1	0	435.977	3.279	50	0		IGAARO
C[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)Cc1ccccc1	ZINC000009286891	536352397	/nfs/dbraw/zinc/35/23/97/536352397.db2.gz	CFFTXLRRYXYCAJ-UHFFFAOYSA-N	1	0	429.948	3.484	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1	ZINC000008912520	536424905	/nfs/dbraw/zinc/42/49/05/536424905.db2.gz	NGTZVHSOTMPLTA-UHFFFAOYSA-N	1	0	431.540	3.127	50	0		IGAARO
COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC	ZINC000004614541	556004264	/nfs/dbraw/zinc/00/42/64/556004264.db2.gz	VDTULHIDRIVHNP-UHFFFAOYSA-N	1	0	426.513	3.003	50	0		IGAARO
COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccc4c(c3)OCCO4)C2)c1	ZINC000002974558	556152905	/nfs/dbraw/zinc/15/29/05/556152905.db2.gz	VEHAZKPYTQYIJC-DEOSSOPVSA-N	1	0	425.505	3.125	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000009194345	556254536	/nfs/dbraw/zinc/25/45/36/556254536.db2.gz	OMHNPCXXDSGNRI-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
CCOc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1ccccc1	ZINC000013732878	556296484	/nfs/dbraw/zinc/29/64/84/556296484.db2.gz	FDRVHLOBVOXOBH-UHFFFAOYSA-N	1	0	437.378	3.488	50	0		IGAARO
CCOc1cccc(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)c1	ZINC000011775638	556350961	/nfs/dbraw/zinc/35/09/61/556350961.db2.gz	TZFJFLQGRDVXOY-DEOSSOPVSA-N	1	0	429.605	3.057	50	0		IGAARO
COc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	ZINC000011812810	556356370	/nfs/dbraw/zinc/35/63/70/556356370.db2.gz	MRPYXJUIJQZNJJ-HXUWFJFHSA-N	1	0	437.544	3.455	50	0		IGAARO
CC[NH+](CC)C[C@H](O)COc1ccc(CN(C)Cc2[nH]nc3c2CCCC3)cc1OC	ZINC000011820059	556362026	/nfs/dbraw/zinc/36/20/26/556362026.db2.gz	QSHMEYYZCQKNEA-IBGZPJMESA-N	1	0	430.593	3.011	50	0		IGAARO
COCCc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)cn1	ZINC000011936621	556378718	/nfs/dbraw/zinc/37/87/18/556378718.db2.gz	XFMNDMZUMOXQHJ-FQEVSTJZSA-N	1	0	434.544	3.010	50	0		IGAARO
Cc1ccc(-n2cc(C[NH+]3CCC(n4nccc4NC(=O)[C@@H]4CCOC4)CC3)cn2)cc1	ZINC000012019866	556386630	/nfs/dbraw/zinc/38/66/30/556386630.db2.gz	KBEUQDUOPAQMTG-HXUWFJFHSA-N	1	0	434.544	3.189	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Cc1ccccc1	ZINC000014188579	556387011	/nfs/dbraw/zinc/38/70/11/556387011.db2.gz	MOHBMMOOAPTRFM-JOCHJYFZSA-N	1	0	441.531	3.386	50	0		IGAARO
COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1NC(C)=O	ZINC000014196848	556388472	/nfs/dbraw/zinc/38/84/72/556388472.db2.gz	VWOUSQFGLIICED-UHFFFAOYSA-N	1	0	431.558	3.118	50	0		IGAARO
COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000014198662	556389937	/nfs/dbraw/zinc/38/99/37/556389937.db2.gz	AGBWZSZIOIQSLL-IRXDYDNUSA-N	1	0	433.574	3.240	50	0		IGAARO
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000012048949	556391836	/nfs/dbraw/zinc/39/18/36/556391836.db2.gz	REEHSJVHPZVRAT-CQSZACIVSA-N	1	0	449.433	3.319	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C2	ZINC000014532905	556421586	/nfs/dbraw/zinc/42/15/86/556421586.db2.gz	WAVISZSLHSKHAC-LJQANCHMSA-N	1	0	430.980	3.312	50	0		IGAARO
Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014536844	556423738	/nfs/dbraw/zinc/42/37/38/556423738.db2.gz	REJKFDLTPRCULV-NRFANRHFSA-N	1	0	436.600	3.242	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccsc1)CC2	ZINC000014537272	556424026	/nfs/dbraw/zinc/42/40/26/556424026.db2.gz	WVTWNDALWCCRML-UHFFFAOYSA-N	1	0	443.569	3.202	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCO)C[N@@H+](Cc2ccc3ccccc3c2)C1	ZINC000014742339	556439160	/nfs/dbraw/zinc/43/91/60/556439160.db2.gz	KQMQRJNWMZLTII-FCHUYYIVSA-N	1	0	449.526	3.164	50	0		IGAARO
Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C	ZINC000014745610	556440724	/nfs/dbraw/zinc/44/07/24/556440724.db2.gz	VPUBCAXRVKYGGO-UHFFFAOYSA-N	1	0	431.540	3.311	50	0		IGAARO
CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](C1CCOCC1)CC2	ZINC000014748281	556442386	/nfs/dbraw/zinc/44/23/86/556442386.db2.gz	QODKRXXUZZWCDJ-UHFFFAOYSA-N	1	0	442.604	3.338	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1C	ZINC000013072477	556454006	/nfs/dbraw/zinc/45/40/06/556454006.db2.gz	JBAPMFHIHJNBRD-HSZRJFAPSA-N	1	0	443.613	3.123	50	0		IGAARO
CCOc1ccc(OCCOc2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2OCC)cc1	ZINC000013100441	556459732	/nfs/dbraw/zinc/45/97/32/556459732.db2.gz	GPONXMKJYHDLOQ-LJQANCHMSA-N	1	0	449.569	3.219	50	0		IGAARO
Cc1cnc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1	ZINC000014970042	556466680	/nfs/dbraw/zinc/46/66/80/556466680.db2.gz	RWJZDEZFQHFWOJ-OAQYLSRUSA-N	1	0	426.536	3.458	50	0		IGAARO
Cc1ccc(-n2cccn2)c(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1	ZINC000014980536	556470577	/nfs/dbraw/zinc/47/05/77/556470577.db2.gz	SWGSMZOKDGPUKJ-IBGZPJMESA-N	1	0	434.544	3.189	50	0		IGAARO
COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)c1	ZINC000030834250	556507181	/nfs/dbraw/zinc/50/71/81/556507181.db2.gz	QPJZEVYINXQLFM-WAUWHALJSA-O	1	0	432.475	3.159	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000013572129	556522511	/nfs/dbraw/zinc/52/25/11/556522511.db2.gz	YSPSKCBBAZTUPG-CDBMDMLJSA-N	1	0	437.927	3.102	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(OC)c1	ZINC000033326834	556562122	/nfs/dbraw/zinc/56/21/22/556562122.db2.gz	AVTOTRXFZYGTIA-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1	ZINC000034872106	556585054	/nfs/dbraw/zinc/58/50/54/556585054.db2.gz	QHFUNNKXNSIAFM-HLIPFELVSA-N	1	0	449.642	3.447	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[C@@H](C)[NH+]3CCCC3)s2)cc1	ZINC000032987831	556608250	/nfs/dbraw/zinc/60/82/50/556608250.db2.gz	AENIDATUZOYEIJ-MRXNPFEDSA-N	1	0	445.589	3.112	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000409414601	556639690	/nfs/dbraw/zinc/63/96/90/556639690.db2.gz	NIIYAGOWCIKFTN-CEMLEFRQSA-N	1	0	440.588	3.396	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000409413604	556640778	/nfs/dbraw/zinc/64/07/78/556640778.db2.gz	CNERGUVGRNBIAY-KSEOMHKRSA-N	1	0	440.588	3.348	50	0		IGAARO
C[NH+](C)CCOc1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1	ZINC000409413793	556641018	/nfs/dbraw/zinc/64/10/18/556641018.db2.gz	DFIRQVABJKTEEA-UHFFFAOYSA-N	1	0	428.485	3.094	50	0		IGAARO
C[N@H+](CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C1CCCCC1	ZINC000005144196	556642228	/nfs/dbraw/zinc/64/22/28/556642228.db2.gz	WTPCLBDGXHZAFX-UHFFFAOYSA-N	1	0	430.622	3.316	50	0		IGAARO
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3([NH+](C)C)CCCC3)c2)cc1	ZINC000032921879	556643175	/nfs/dbraw/zinc/64/31/75/556643175.db2.gz	URQKLMJHNVFTLX-UHFFFAOYSA-N	1	0	445.585	3.490	50	0		IGAARO
CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OC(C)C	ZINC000040721875	556647679	/nfs/dbraw/zinc/64/76/79/556647679.db2.gz	MZQKVVTVGFDDHL-UHFFFAOYSA-N	1	0	430.372	3.040	50	0		IGAARO
COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000055099928	556734695	/nfs/dbraw/zinc/73/46/95/556734695.db2.gz	HHTVQZLDKSITHT-QFIPXVFZSA-N	1	0	438.572	3.201	50	0		IGAARO
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000055183100	556737337	/nfs/dbraw/zinc/73/73/37/556737337.db2.gz	MTMMDFZGAYMWAZ-NRFANRHFSA-N	1	0	425.504	3.024	50	0		IGAARO
CCOc1ccccc1CNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000033048249	556744418	/nfs/dbraw/zinc/74/44/18/556744418.db2.gz	CPUIEVFCWQIWOP-UHFFFAOYSA-N	1	0	425.558	3.080	50	0		IGAARO
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccccc4OC)c(C)c32)CC1	ZINC000033048378	556744762	/nfs/dbraw/zinc/74/47/62/556744762.db2.gz	YEYSWWOFRGMBML-UHFFFAOYSA-N	1	0	439.585	3.470	50	0		IGAARO
O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC(Cc2ccccc2)CC1	ZINC000057992249	556751219	/nfs/dbraw/zinc/75/12/19/556751219.db2.gz	XXPGCOIBROTMEE-MHZLTWQESA-N	1	0	446.595	3.485	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)cn2)CC1	ZINC000058106439	556758783	/nfs/dbraw/zinc/75/87/83/556758783.db2.gz	GFXRLUPNKPCXFX-UHFFFAOYSA-N	1	0	427.599	3.267	50	0		IGAARO
C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CCc2nc(-c3cccs3)no2)CC1	ZINC000058161734	556765539	/nfs/dbraw/zinc/76/55/39/556765539.db2.gz	CQGWNVDPSUJWFI-UHFFFAOYSA-N	1	0	439.541	3.147	50	0		IGAARO
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1	ZINC000058264836	556776430	/nfs/dbraw/zinc/77/64/30/556776430.db2.gz	XZWKAUZWUAIKHJ-GOSISDBHSA-N	1	0	436.556	3.067	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)s2)cc1	ZINC000033061077	556816794	/nfs/dbraw/zinc/81/67/94/556816794.db2.gz	RVFYBKXKLCTKNN-UHFFFAOYSA-N	1	0	435.553	3.277	50	0		IGAARO
C[NH+]1CCC(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1	ZINC000065363317	556834802	/nfs/dbraw/zinc/83/48/02/556834802.db2.gz	ZCZLHPAMCVJDHU-UHFFFAOYSA-N	1	0	435.977	3.130	50	0		IGAARO
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1	ZINC000067623114	556845101	/nfs/dbraw/zinc/84/51/01/556845101.db2.gz	MBMTZXDPGDIWBT-UHFFFAOYSA-N	1	0	440.935	3.430	50	0		IGAARO
Cc1ccc(N(Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000067630057	556845139	/nfs/dbraw/zinc/84/51/39/556845139.db2.gz	FWGWWKXMTYNQDJ-UHFFFAOYSA-N	1	0	429.586	3.094	50	0		IGAARO
CC(=O)Nc1ccc(-c2cc(C(=O)NCCN3CC[NH+](C)CC3)c3cc(C)ccc3n2)cc1	ZINC000033106406	556858823	/nfs/dbraw/zinc/85/88/23/556858823.db2.gz	JCAKOLQACAOAMT-UHFFFAOYSA-N	1	0	445.567	3.146	50	0		IGAARO
O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1N1CC[NH2+]CC1)c1ccc(Cl)cc1	ZINC000019811277	556919179	/nfs/dbraw/zinc/91/91/79/556919179.db2.gz	IRCARNCHRGIKND-FCHUYYIVSA-N	1	0	427.957	3.473	50	0		IGAARO
Cc1cc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C	ZINC000019836867	556928467	/nfs/dbraw/zinc/92/84/67/556928467.db2.gz	BUNVLXAHXPTXQT-UHFFFAOYSA-N	1	0	435.547	3.373	50	0		IGAARO
Cc1c(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(=O)n(-c2ccccc2)n1C	ZINC000019838687	556928793	/nfs/dbraw/zinc/92/87/93/556928793.db2.gz	ARPPWFFZPZVPDS-VWLOTQADSA-N	1	0	445.611	3.271	50	0		IGAARO
Cc1cccc(C)c1N1CC[NH+](C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1	ZINC000019909138	556942925	/nfs/dbraw/zinc/94/29/25/556942925.db2.gz	LLDRPVFTCCEETQ-HXUWFJFHSA-N	1	0	448.563	3.460	50	0		IGAARO
CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CN1CC(c1ccccc1)c1ccccc1	ZINC000020149099	556990763	/nfs/dbraw/zinc/99/07/63/556990763.db2.gz	GOZUSDIQTVBLEC-VPUSJEBWSA-N	1	0	448.655	3.470	50	0		IGAARO
C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCc2ccc(O)cc2)C[C@H](C)O1	ZINC000020363351	557011886	/nfs/dbraw/zinc/01/18/86/557011886.db2.gz	OBMQHCAYSFHCMB-IYBDPMFKSA-N	1	0	442.947	3.275	50	0		IGAARO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)c1	ZINC000022927442	557049056	/nfs/dbraw/zinc/04/90/56/557049056.db2.gz	UVKAVXQXORDLJD-XUZZJYLKSA-N	1	0	442.556	3.038	50	0		IGAARO
COCCC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1	ZINC000082126960	557058687	/nfs/dbraw/zinc/05/86/87/557058687.db2.gz	CLPIBQDTRJRLAR-QHCPKHFHSA-N	1	0	428.621	3.033	50	0		IGAARO
Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000082230584	557061872	/nfs/dbraw/zinc/06/18/72/557061872.db2.gz	CJDSFUUIZMAELW-UHFFFAOYSA-N	1	0	443.495	3.185	50	0		IGAARO
COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C(C)C)CC1)n(-c1ccc(Cl)cc1)c2=O	ZINC000033300512	557082128	/nfs/dbraw/zinc/08/21/28/557082128.db2.gz	HQUJTJZLGCTOLP-UHFFFAOYSA-N	1	0	440.931	3.356	50	0		IGAARO
Cc1nccn1CCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000023338003	557084879	/nfs/dbraw/zinc/08/48/79/557084879.db2.gz	YYIXAKKFQQDHTF-UHFFFAOYSA-N	1	0	433.556	3.450	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)[NH+]2CCCCC2)cc1	ZINC000023554948	557098104	/nfs/dbraw/zinc/09/81/04/557098104.db2.gz	BXGOSKOVBBBWGO-HSZRJFAPSA-N	1	0	449.551	3.415	50	0		IGAARO
CC(C)C[N@@H+]1CCO[C@H](CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)C1	ZINC000023702705	557108198	/nfs/dbraw/zinc/10/81/98/557108198.db2.gz	XYFNMYZZEQWBKH-IBGZPJMESA-N	1	0	441.663	3.484	50	0		IGAARO
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1	ZINC000017819710	557124118	/nfs/dbraw/zinc/12/41/18/557124118.db2.gz	BLDPPBNXCULLKE-UHFFFAOYSA-N	1	0	445.585	3.123	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)c1	ZINC000024988892	557187065	/nfs/dbraw/zinc/18/70/65/557187065.db2.gz	TZUOAGOYDKJCOJ-FQEVSTJZSA-N	1	0	434.964	3.053	50	0		IGAARO
COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000011615402	557211463	/nfs/dbraw/zinc/21/14/63/557211463.db2.gz	LIJDMLCTJTUYSF-FQEVSTJZSA-N	1	0	438.455	3.216	50	0		IGAARO
COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000011615403	557211528	/nfs/dbraw/zinc/21/15/28/557211528.db2.gz	LIJDMLCTJTUYSF-HXUWFJFHSA-N	1	0	438.455	3.216	50	0		IGAARO
Cn1nc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2c1=O	ZINC000027241635	557259215	/nfs/dbraw/zinc/25/92/15/557259215.db2.gz	RSXQFGABMMFXDY-UHFFFAOYSA-N	1	0	444.457	3.300	50	0		IGAARO
O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1	ZINC000222467110	557341885	/nfs/dbraw/zinc/34/18/85/557341885.db2.gz	KTJKIOWZFACJIX-QORUQQEXSA-N	1	0	447.645	3.152	50	0		IGAARO
COc1ccc(-c2cnc3ncnn3c2N2CCN(CC[NH+](C(C)C)C(C)C)CC2)cc1	ZINC000023333279	557347396	/nfs/dbraw/zinc/34/73/96/557347396.db2.gz	OTMNBAJBAMBYAR-UHFFFAOYSA-N	1	0	437.592	3.041	50	0		IGAARO
COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NCCC[NH+](C)C)c2C1	ZINC000113665465	557376364	/nfs/dbraw/zinc/37/63/64/557376364.db2.gz	NXFSVCNNVJTXAB-UHFFFAOYSA-N	1	0	437.588	3.373	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12	ZINC000004874667	557399979	/nfs/dbraw/zinc/39/99/79/557399979.db2.gz	UTHYQVHXGLBVJT-KRWDZBQOSA-N	1	0	429.561	3.423	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12	ZINC000004874663	557399983	/nfs/dbraw/zinc/39/99/83/557399983.db2.gz	UTHYQVHXGLBVJT-QGZVFWFLSA-N	1	0	429.561	3.423	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000247857092	557461890	/nfs/dbraw/zinc/46/18/90/557461890.db2.gz	UMKHRNCSXVCCLL-IRLDBZIGSA-N	1	0	432.511	3.302	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C	ZINC000105061861	557475536	/nfs/dbraw/zinc/47/55/36/557475536.db2.gz	VSEKJQQFJQWMRJ-WAIKUNEKSA-N	1	0	429.561	3.304	50	0		IGAARO
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](SCC)C1	ZINC000106920902	557533343	/nfs/dbraw/zinc/53/33/43/557533343.db2.gz	WNXMTJVEDCKOHM-UONOGXRCSA-N	1	0	441.619	3.137	50	0		IGAARO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000225758875	557773723	/nfs/dbraw/zinc/77/37/23/557773723.db2.gz	MEPXIYVHUFAFNY-JOCHJYFZSA-N	1	0	441.597	3.158	50	0		IGAARO
COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)C2	ZINC000014991271	557836032	/nfs/dbraw/zinc/83/60/32/557836032.db2.gz	YVDJFEVOOQFHED-WZONZLPQSA-N	1	0	441.547	3.371	50	0		IGAARO
Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1S(C)(=O)=O	ZINC000685939936	557838855	/nfs/dbraw/zinc/83/88/55/557838855.db2.gz	RPIHIUBUEMRAJU-PMACEKPBSA-N	1	0	427.570	3.384	50	0		IGAARO
CCC[NH+](CCC)CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000004003603	562940613	/nfs/dbraw/zinc/94/06/13/562940613.db2.gz	KUOXNWOMODGYTN-JOCHJYFZSA-N	1	0	425.577	3.032	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O	ZINC000008610891	562958295	/nfs/dbraw/zinc/95/82/95/562958295.db2.gz	DIHMEJZSWIRKLX-UHFFFAOYSA-N	1	0	445.567	3.248	50	0		IGAARO
COc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1OC	ZINC000008683683	562962013	/nfs/dbraw/zinc/96/20/13/562962013.db2.gz	NNLLMMGIPDCJGN-UHFFFAOYSA-N	1	0	441.547	3.404	50	0		IGAARO
C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCCO3	ZINC000009151927	562967871	/nfs/dbraw/zinc/96/78/71/562967871.db2.gz	AYIIUNJAZOVBTP-UHFFFAOYSA-N	1	0	427.526	3.431	50	0		IGAARO
Cc1ccccc1OCCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000009683351	562975512	/nfs/dbraw/zinc/97/55/12/562975512.db2.gz	BFZVQVIXGCFFJP-UHFFFAOYSA-N	1	0	445.585	3.117	50	0		IGAARO
COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2	ZINC000066066132	563156994	/nfs/dbraw/zinc/15/69/94/563156994.db2.gz	LGLHCXISMKHLIK-UHFFFAOYSA-N	1	0	445.527	3.314	50	0		IGAARO
O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2	ZINC000299774246	568756855	/nfs/dbraw/zinc/75/68/55/568756855.db2.gz	FIXLWWRQOMHRIU-OAHLLOKOSA-N	1	0	434.949	3.042	50	0		IGAARO
O=C(CCn1cnc2ccccc2c1=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000015862557	568848876	/nfs/dbraw/zinc/84/88/76/568848876.db2.gz	NPKBXESHSXHNSE-UHFFFAOYSA-N	1	0	438.959	3.468	50	0		IGAARO
CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2cccc(C)c2NC3=O)cc1	ZINC000016026870	568864624	/nfs/dbraw/zinc/86/46/24/568864624.db2.gz	QMRDWBOJBXXNFN-JVFUWBCBSA-N	1	0	433.508	3.442	50	0		IGAARO
COc1cc(OC)c(NC(=O)NCCNc2cc(-n3cccc3)nc(C)[nH+]2)cc1Cl	ZINC000090607863	568890389	/nfs/dbraw/zinc/89/03/89/568890389.db2.gz	ORDIQODJRWJWHE-UHFFFAOYSA-N	1	0	430.896	3.480	50	0		IGAARO
Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)CC[NH+]1CCCCC1)C2	ZINC000064566339	568933134	/nfs/dbraw/zinc/93/31/34/568933134.db2.gz	BPIVIIFZIASIBX-UHFFFAOYSA-N	1	0	438.507	3.037	50	0		IGAARO
Cn1c2c(C(=O)Nc3ccc(F)c(F)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064836130	568969224	/nfs/dbraw/zinc/96/92/24/568969224.db2.gz	LRNCYOTUTNPHGT-UHFFFAOYSA-N	1	0	449.461	3.122	50	0		IGAARO
Cc1nn(CC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2c3ccccc3sc21	ZINC000006799020	568989927	/nfs/dbraw/zinc/98/99/27/568989927.db2.gz	AXOAYAFWOFPZFS-IYBDPMFKSA-N	1	0	426.586	3.404	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12	ZINC000169681197	568991259	/nfs/dbraw/zinc/99/12/59/568991259.db2.gz	KCLIXHQXQZJNKS-UHFFFAOYSA-N	1	0	447.514	3.052	50	0		IGAARO
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[NH+](C)C)CC1	ZINC000065006941	569087458	/nfs/dbraw/zinc/08/74/58/569087458.db2.gz	RRFJNULHNAHGRO-OAHLLOKOSA-N	1	0	446.592	3.424	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1	ZINC000065023597	569089380	/nfs/dbraw/zinc/08/93/80/569089380.db2.gz	KWOXWHVKAVSGOJ-HXUWFJFHSA-N	1	0	425.552	3.491	50	0		IGAARO
CCCCN(CC)C(=O)c1cc(NC(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1	ZINC000065025344	569090560	/nfs/dbraw/zinc/09/05/60/569090560.db2.gz	YNMLIVGVISHDRX-UHFFFAOYSA-N	1	0	427.524	3.145	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1OC)C[N@H+](Cc1ccccc1)CC2	ZINC000065153509	569111924	/nfs/dbraw/zinc/11/19/24/569111924.db2.gz	XGONEKYOPUKNKR-UHFFFAOYSA-N	1	0	432.524	3.011	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1c(F)cccc1F)C[N@H+](Cc1ccccc1)CC2	ZINC000065153586	569112125	/nfs/dbraw/zinc/11/21/25/569112125.db2.gz	VJUUCCLFTXNQFQ-UHFFFAOYSA-N	1	0	438.478	3.281	50	0		IGAARO
Cc1cccc(S(=O)(=O)N2CCc3c2cccc3C(=O)NCCC[NH+]2CCCCC2)c1	ZINC000065210192	569116265	/nfs/dbraw/zinc/11/62/65/569116265.db2.gz	AYCUZLLAVFGPSN-UHFFFAOYSA-N	1	0	441.597	3.352	50	0		IGAARO
COc1cc(OC)c2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1	ZINC000036584291	569119810	/nfs/dbraw/zinc/11/98/10/569119810.db2.gz	OJLYAZGEIVHZTR-VQIMIIECSA-N	1	0	428.529	3.042	50	0		IGAARO
O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCN(c2ccccc2)CC1	ZINC000065255984	569123041	/nfs/dbraw/zinc/12/30/41/569123041.db2.gz	WQVKRSNPOBMVLH-XMMPIXPASA-N	1	0	427.552	3.195	50	0		IGAARO
COc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1	ZINC000065255766	569123083	/nfs/dbraw/zinc/12/30/83/569123083.db2.gz	MQPZRSUDQBEANS-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1ccc(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)cc1OC	ZINC000065256284	569123231	/nfs/dbraw/zinc/12/32/31/569123231.db2.gz	UITVWVISTRIFEP-OAQYLSRUSA-N	1	0	432.524	3.180	50	0		IGAARO
Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1	ZINC000065256343	569123326	/nfs/dbraw/zinc/12/33/26/569123326.db2.gz	IMDLJUJVTXGFDU-DEOSSOPVSA-N	1	0	446.599	3.288	50	0		IGAARO
CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000065273016	569129261	/nfs/dbraw/zinc/12/92/61/569129261.db2.gz	MJGHDUQPIPPBRU-SFHVURJKSA-N	1	0	425.598	3.336	50	0		IGAARO
Cc1noc(C)c1C(=O)N1CCC([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)CC1	ZINC000252492762	569187876	/nfs/dbraw/zinc/18/78/76/569187876.db2.gz	MVNKFNZRHGOVEI-UHFFFAOYSA-N	1	0	437.466	3.132	50	0		IGAARO
Fc1ccc(-n2c(C[NH+]3CCC(n4cncn4)CC3)csc2=NC[C@H]2CCCO2)cc1	ZINC000252504405	569188176	/nfs/dbraw/zinc/18/81/76/569188176.db2.gz	AVFDVBHFPLFAQT-OAQYLSRUSA-N	1	0	442.564	3.186	50	0		IGAARO
Cc1cn(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)/c(=N/C(=O)c2ccc(F)cc2)s1	ZINC000037427636	569195866	/nfs/dbraw/zinc/19/58/66/569195866.db2.gz	WSPOYZPOUOQLKL-RWEWTDSWSA-N	1	0	440.544	3.078	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000253389833	569289002	/nfs/dbraw/zinc/28/90/02/569289002.db2.gz	OITGREQAXLVEJB-GKAYAJSDSA-N	1	0	439.874	3.219	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002436070	569303793	/nfs/dbraw/zinc/30/37/93/569303793.db2.gz	OMYCOSYSHAPXGK-SUWCGCSTSA-N	1	0	442.302	3.425	50	0		IGAARO
CC(C)OCCCC(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)CCCOC(C)C	ZINC000328592036	569317179	/nfs/dbraw/zinc/31/71/79/569317179.db2.gz	QAJAUCDWNZFMKM-UHFFFAOYSA-N	1	0	441.657	3.170	50	0		IGAARO
CCN1CC[NH+](C[C@H](C)CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000078808636	569319123	/nfs/dbraw/zinc/31/91/23/569319123.db2.gz	JVSNHOKNPMXANY-QGZVFWFLSA-N	1	0	433.984	3.103	50	0		IGAARO
CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1	ZINC000079105476	569325615	/nfs/dbraw/zinc/32/56/15/569325615.db2.gz	VBNQLSDSIJMTSU-XMMPIXPASA-N	1	0	446.592	3.390	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	ZINC000390827086	569353825	/nfs/dbraw/zinc/35/38/25/569353825.db2.gz	DVSCLZPQTFJALQ-OEMFJLHTSA-N	1	0	441.616	3.407	50	0		IGAARO
Cc1c2cnn(CC(=O)NCC[NH+]3CCCCCC3)c(=O)c2c(C)n1Cc1ccc(C)cc1	ZINC000020417163	569364926	/nfs/dbraw/zinc/36/49/26/569364926.db2.gz	VWFNCTMTJDBLCN-UHFFFAOYSA-N	1	0	449.599	3.164	50	0		IGAARO
CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O2	ZINC000095455503	569368525	/nfs/dbraw/zinc/36/85/25/569368525.db2.gz	MLIIPJIXOWWSFX-CYFREDJKSA-N	1	0	429.561	3.492	50	0		IGAARO
C[NH+](C)CCN(CC(=O)OC(C)(C)C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1	ZINC000095460533	569369615	/nfs/dbraw/zinc/36/96/15/569369615.db2.gz	XXCSSBRFESLGMM-UHFFFAOYSA-N	1	0	425.455	3.267	50	0		IGAARO
COc1cc(C=O)ccc1OCCC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000096012310	569380088	/nfs/dbraw/zinc/38/00/88/569380088.db2.gz	KLMBPDMGIXNHPN-OALUTQOASA-N	1	0	440.540	3.202	50	0		IGAARO
COCCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c2c3ccccc3n(C)c2c1=O	ZINC000002498241	569405661	/nfs/dbraw/zinc/40/56/61/569405661.db2.gz	KIRHSHXCZRWHBF-UHFFFAOYSA-N	1	0	438.572	3.136	50	0		IGAARO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000003336853	569446641	/nfs/dbraw/zinc/44/66/41/569446641.db2.gz	KXOCDTKYFPIPFJ-OAQYLSRUSA-N	1	0	445.585	3.024	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000031662609	569456962	/nfs/dbraw/zinc/45/69/62/569456962.db2.gz	JGMMHCNAFCVYFZ-UHFFFAOYSA-N	1	0	442.510	3.097	50	0		IGAARO
COc1cccc(-n2cnc3cc(C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)ccc3c2=O)c1	ZINC000032091498	569459585	/nfs/dbraw/zinc/45/95/85/569459585.db2.gz	CETFOVAOZATHHL-UHFFFAOYSA-N	1	0	434.540	3.433	50	0		IGAARO
O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1	ZINC000008187447	569462454	/nfs/dbraw/zinc/46/24/54/569462454.db2.gz	IYMKLHRVBKXRIK-UHFFFAOYSA-N	1	0	427.570	3.278	50	0		IGAARO
COCCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1=O	ZINC000038545847	569463295	/nfs/dbraw/zinc/46/32/95/569463295.db2.gz	JXZOFECKHYXRAW-QHCPKHFHSA-N	1	0	439.581	3.482	50	0		IGAARO
CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1	ZINC000008478229	569465820	/nfs/dbraw/zinc/46/58/20/569465820.db2.gz	YTQIAVFIYHFXQQ-UNMCSNQZSA-N	1	0	427.545	3.386	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1c2cc(C)cc1C	ZINC000008876817	569481122	/nfs/dbraw/zinc/48/11/22/569481122.db2.gz	YDGFOUOOZZAREW-BYPWWNMNSA-N	1	0	443.931	3.110	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O	ZINC000008933050	569487742	/nfs/dbraw/zinc/48/77/42/569487742.db2.gz	ZBNQMYWVTHTHTM-FQEVSTJZSA-N	1	0	443.551	3.000	50	0		IGAARO
C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1	ZINC000245380875	569505535	/nfs/dbraw/zinc/50/55/35/569505535.db2.gz	QQRAPILVPZAQCR-OTWHNJEPSA-N	1	0	430.622	3.314	50	0		IGAARO
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000009373096	569526993	/nfs/dbraw/zinc/52/69/93/569526993.db2.gz	CCYTXQHZUVEVMF-UHFFFAOYSA-N	1	0	446.642	3.196	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1	ZINC000009432583	569534408	/nfs/dbraw/zinc/53/44/08/569534408.db2.gz	JMVAICMXEKIGAQ-ZPMCFJSWSA-N	1	0	441.597	3.276	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)[NH+]2CCCCC2)cc1	ZINC000009593911	569550495	/nfs/dbraw/zinc/55/04/95/569550495.db2.gz	SYLZAXYWXYBZIW-JOCHJYFZSA-N	1	0	436.560	3.026	50	0		IGAARO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000009743241	569565507	/nfs/dbraw/zinc/56/55/07/569565507.db2.gz	SOHSRNWUICKMKG-JOCHJYFZSA-N	1	0	438.531	3.449	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2	ZINC000009745534	569565672	/nfs/dbraw/zinc/56/56/72/569565672.db2.gz	NLHTWHBGQPXARP-UHFFFAOYSA-N	1	0	434.993	3.458	50	0		IGAARO
CCn1c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000009868093	569572286	/nfs/dbraw/zinc/57/22/86/569572286.db2.gz	IIQAPTLAXKIVSR-RBUKOAKNSA-N	1	0	446.617	3.089	50	0		IGAARO
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1	ZINC000010281215	569580477	/nfs/dbraw/zinc/58/04/77/569580477.db2.gz	FTYYKXXXEZRTHR-UHFFFAOYSA-N	1	0	429.586	3.161	50	0		IGAARO
O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1	ZINC000010333993	569581087	/nfs/dbraw/zinc/58/10/87/569581087.db2.gz	IYDCMQORIUUPIF-JOCHJYFZSA-N	1	0	445.519	3.138	50	0		IGAARO
O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1	ZINC000010334002	569581116	/nfs/dbraw/zinc/58/11/16/569581116.db2.gz	IYDCMQORIUUPIF-QFIPXVFZSA-N	1	0	445.519	3.138	50	0		IGAARO
CC(C)c1cnn2c1nc(O[C@@H]1CCC[NH2+]C1)nc2NCc1ccccc1-n1cccn1	ZINC000206084185	569587796	/nfs/dbraw/zinc/58/77/96/569587796.db2.gz	LSGRZENCFIIHNV-GOSISDBHSA-N	1	0	432.532	3.176	50	0		IGAARO
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC[NH+](C)C)ccc2N2CCCCC2)cc1	ZINC000003007791	132260444	/nfs/dbraw/zinc/26/04/44/132260444.db2.gz	CDOFQIKMXHKBAM-UHFFFAOYSA-N	1	0	444.601	3.078	50	0		IGAARO
COCCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1=O	ZINC000008611701	132288467	/nfs/dbraw/zinc/28/84/67/132288467.db2.gz	YXCZYODVBURRKS-VWLOTQADSA-N	1	0	433.552	3.420	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C2	ZINC000014539391	519533156	/nfs/dbraw/zinc/53/31/56/519533156.db2.gz	ISRMEKZBLAFEIW-OAHLLOKOSA-N	1	0	437.009	3.374	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1Cl)C2	ZINC000014745492	519533753	/nfs/dbraw/zinc/53/37/53/519533753.db2.gz	VWFNMVYLWPORLS-IBGZPJMESA-N	1	0	445.007	3.355	50	0		IGAARO
CC(C)[NH2+][C@@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)C1	ZINC000058191731	519735388	/nfs/dbraw/zinc/73/53/88/519735388.db2.gz	NHEUWGPYJWSLIK-QGZVFWFLSA-N	1	0	429.634	3.369	50	0		IGAARO
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1	ZINC000012932368	519838443	/nfs/dbraw/zinc/83/84/43/519838443.db2.gz	CTTKKJYSHWUGNI-UHFFFAOYSA-N	1	0	435.634	3.200	50	0		IGAARO
CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000020560232	520514182	/nfs/dbraw/zinc/51/41/82/520514182.db2.gz	CKNRQAYCIWLSPY-HSZRJFAPSA-N	1	0	440.588	3.116	50	0		IGAARO
CCN(CC[NH+](CC)CC)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F	ZINC000020599063	520643653	/nfs/dbraw/zinc/64/36/53/520643653.db2.gz	LKTOIRURLXSDHV-UHFFFAOYSA-N	1	0	438.613	3.416	50	0		IGAARO
CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cnc2ccccn2c1=O	ZINC000014963950	520977847	/nfs/dbraw/zinc/97/78/47/520977847.db2.gz	BIYFQXABSOAPEC-UHFFFAOYSA-N	1	0	432.568	3.420	50	0		IGAARO
CCOC(=O)c1ccc(NC(=S)NCCCN2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000022932053	521517009	/nfs/dbraw/zinc/51/70/09/521517009.db2.gz	FVVMSWQHWPHION-UHFFFAOYSA-N	1	0	432.634	3.490	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000035843179	521731288	/nfs/dbraw/zinc/73/12/88/521731288.db2.gz	WFDQUOKRUGEQJS-CQAGSAPUSA-N	1	0	429.520	3.149	50	0		IGAARO
COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012092819	522355927	/nfs/dbraw/zinc/35/59/27/522355927.db2.gz	PCDASUHQETUXRR-HXUWFJFHSA-N	1	0	432.565	3.023	50	0		IGAARO
COc1cc(CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)cc(OC)c1OC	ZINC000012338192	522364512	/nfs/dbraw/zinc/36/45/12/522364512.db2.gz	BVTOQLLDSLOHQR-IBGZPJMESA-N	1	0	446.519	3.401	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1[nH]nc2ccccc21	ZINC000012445505	523731925	/nfs/dbraw/zinc/73/19/25/523731925.db2.gz	CTBSGMIAJUJMKH-HXUWFJFHSA-N	1	0	446.595	3.460	50	0		IGAARO
COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC	ZINC000020908689	523779915	/nfs/dbraw/zinc/77/99/15/523779915.db2.gz	VBSSJVPIYVKBRA-SFHVURJKSA-N	1	0	435.524	3.239	50	0		IGAARO
C[N@@H+]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1	ZINC000012738112	523812209	/nfs/dbraw/zinc/81/22/09/523812209.db2.gz	DFCMNIUDGXFDQP-UHFFFAOYSA-N	1	0	429.615	3.394	50	0		IGAARO
COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(OC)cc3OC)CC2)c1	ZINC000012454388	523929111	/nfs/dbraw/zinc/92/91/11/523929111.db2.gz	XFMHOMIJRISIPR-UHFFFAOYSA-N	1	0	428.529	3.123	50	0		IGAARO
CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[NH+](C)C)cc1	ZINC000012785245	524029884	/nfs/dbraw/zinc/02/98/84/524029884.db2.gz	GODFPPMARMQGFV-HXUWFJFHSA-N	1	0	437.993	3.185	50	0		IGAARO
COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(Cl)c1OC	ZINC000020449955	524032075	/nfs/dbraw/zinc/03/20/75/524032075.db2.gz	FAHXAPQKVCRWHE-FQEVSTJZSA-N	1	0	440.028	3.099	50	0		IGAARO
COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1C	ZINC000012190259	524034326	/nfs/dbraw/zinc/03/43/26/524034326.db2.gz	OHDHERCDFPTWAT-FQEVSTJZSA-N	1	0	449.551	3.101	50	0		IGAARO
COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN(C)Cc4cccnc4)C3)C2)c1	ZINC000012448380	524272426	/nfs/dbraw/zinc/27/24/26/524272426.db2.gz	XMALHBSQSRDNKY-RUZDIDTESA-N	1	0	440.563	3.176	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCCCCC3)s2)cc1	ZINC000033061851	524658537	/nfs/dbraw/zinc/65/85/37/524658537.db2.gz	SLYIGRYGAXMECO-UHFFFAOYSA-N	1	0	445.589	3.114	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000035828190	524861265	/nfs/dbraw/zinc/86/12/65/524861265.db2.gz	FQPBDXQOOCIIQC-LAKHIVPPSA-N	1	0	429.904	3.450	50	0		IGAARO
C[C@H]1Cc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2N1S(C)(=O)=O	ZINC000012779700	524979634	/nfs/dbraw/zinc/97/96/34/524979634.db2.gz	BHJQPPOSZNLGRB-KXBFYZLASA-N	1	0	433.599	3.026	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)c(C)c1	ZINC000012795406	525517459	/nfs/dbraw/zinc/51/74/59/525517459.db2.gz	MADPLODIZPZNIW-IBGZPJMESA-N	1	0	449.642	3.185	50	0		IGAARO
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[NH+]4CCCC4)CC3)[nH]c2c1	ZINC000015868676	525620982	/nfs/dbraw/zinc/62/09/82/525620982.db2.gz	SWDGCZYBAKOCCI-GOSISDBHSA-N	1	0	440.588	3.267	50	0		IGAARO
Cc1ccc([C@@H](C)CC[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	ZINC000012205629	525679937	/nfs/dbraw/zinc/67/99/37/525679937.db2.gz	ZIFXFCCCLGKBPA-KRWDZBQOSA-N	1	0	439.535	3.229	50	0		IGAARO
Cc1c(C[NH2+]CCNC(=O)c2nonc2N)c2ccccc2n1Cc1ccccc1Cl	ZINC000040744396	525725644	/nfs/dbraw/zinc/72/56/44/525725644.db2.gz	BYPZCRUCQYNRLZ-UHFFFAOYSA-N	1	0	438.919	3.136	50	0		IGAARO
COc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	ZINC000012279521	525953941	/nfs/dbraw/zinc/95/39/41/525953941.db2.gz	HVIZWIBNFOQZGE-QFIPXVFZSA-N	1	0	448.571	3.257	50	0		IGAARO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CC[NH+](C)CC2)cc1	ZINC000022582946	525954333	/nfs/dbraw/zinc/95/43/33/525954333.db2.gz	NLDSEXIUHVLCMN-NRFANRHFSA-N	1	0	428.964	3.000	50	0		IGAARO
COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C3CC[NH+](C(C)C)CC3)C2)c1	ZINC000014745712	526061397	/nfs/dbraw/zinc/06/13/97/526061397.db2.gz	XTZFCSSCLNQCLR-XMMPIXPASA-N	1	0	431.621	3.253	50	0		IGAARO
Cc1ccc2nc(C[NH+](Cc3cc(=O)n4cc(C)ccc4n3)[C@H](C)C3CC3)cc(=O)n2c1	ZINC000012815117	526246061	/nfs/dbraw/zinc/24/60/61/526246061.db2.gz	GBFIXNCKJAVPOT-GOSISDBHSA-N	1	0	429.524	3.120	50	0		IGAARO
O=C(CN1N=C(c2ccccc2)CCC1=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1	ZINC000020688133	526824149	/nfs/dbraw/zinc/82/41/49/526824149.db2.gz	UNFFAKWYRLSOSX-UHFFFAOYSA-N	1	0	446.595	3.474	50	0		IGAARO
O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000012323552	526838434	/nfs/dbraw/zinc/83/84/34/526838434.db2.gz	ZPXVJYGWZUBGIT-UHFFFAOYSA-N	1	0	445.567	3.016	50	0		IGAARO
O=C(c1nc(N2CCCC2)nc2c1CCCC2)N(Cc1cccnc1)[C@@H]1C[NH+]2CCC1CC2	ZINC000012208046	526916287	/nfs/dbraw/zinc/91/62/87/526916287.db2.gz	GUHXVFCGTNMBHZ-HSZRJFAPSA-N	1	0	446.599	3.087	50	0		IGAARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	ZINC000012750511	527046949	/nfs/dbraw/zinc/04/69/49/527046949.db2.gz	KHQFGTKVEWFJRR-QFIPXVFZSA-N	1	0	435.549	3.492	50	0		IGAARO
O=C(Nc1ccnn1C1CC[NH+](C2CSCCSC2)CC1)c1ccc2c(c1)OCO2	ZINC000020608439	527459723	/nfs/dbraw/zinc/45/97/23/527459723.db2.gz	HKALZWJNTIWPOV-UHFFFAOYSA-N	1	0	446.598	3.350	50	0		IGAARO
CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1CCc3ccccc3C1)C(=O)CO2	ZINC000002912674	535123650	/nfs/dbraw/zinc/12/36/50/535123650.db2.gz	KKPZIUTZDDMTFO-UHFFFAOYSA-N	1	0	435.568	3.274	50	0		IGAARO
CC[NH+]1CCN(c2cc(C)nc(SCc3cccc(C(=O)NCC4CC4)c3)n2)CC1	ZINC000006775493	535743306	/nfs/dbraw/zinc/74/33/06/535743306.db2.gz	SRQMRWYBUQBFLT-UHFFFAOYSA-N	1	0	425.602	3.359	50	0		IGAARO
Cc1cc([C@@H]2CC[C@@H](C(=O)NCC[NH+](C)C)CN2C(=O)NCc2ccccc2)ccc1F	ZINC000034716053	555865398	/nfs/dbraw/zinc/86/53/98/555865398.db2.gz	AVYHGRKFDBLTID-GGAORHGYSA-N	1	0	440.563	3.475	50	0		IGAARO
CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000008616581	556192516	/nfs/dbraw/zinc/19/25/16/556192516.db2.gz	LQPGEKZJZMPNNZ-UHFFFAOYSA-N	1	0	429.492	3.205	50	0		IGAARO
O=C(C1CC[NH+](CCCc2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013942351	556339273	/nfs/dbraw/zinc/33/92/73/556339273.db2.gz	KZAALOHMUSGXCR-UHFFFAOYSA-N	1	0	449.595	3.404	50	0		IGAARO
CC1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)c3ccc(Br)o3)cc2)CC1	ZINC000032787163	556349942	/nfs/dbraw/zinc/34/99/42/556349942.db2.gz	QYTCCMFWPZLSHS-UHFFFAOYSA-N	1	0	448.361	3.320	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2Cl)c1COC	ZINC000011784106	556352532	/nfs/dbraw/zinc/35/25/32/556352532.db2.gz	YCSKOBCFETYENT-IBGZPJMESA-N	1	0	445.991	3.413	50	0		IGAARO
COc1cccc(-n2c(CNC(=O)/C=C/c3cccs3)nnc2SCC[NH+](C)C)c1	ZINC000011790777	556355658	/nfs/dbraw/zinc/35/56/58/556355658.db2.gz	MFQOZOGXHBSJPI-MDZDMXLPSA-N	1	0	443.598	3.321	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)N2CCN(Cc3ccsc3)CC2)[NH+]2CCCC2)cc1	ZINC000014165282	556379383	/nfs/dbraw/zinc/37/93/83/556379383.db2.gz	OHXPWDYJCQZZMM-JOCHJYFZSA-N	1	0	428.602	3.421	50	0		IGAARO
CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC1)=CC2	ZINC000011978385	556383510	/nfs/dbraw/zinc/38/35/10/556383510.db2.gz	VLZRFEUFZZLGFV-FPOVZHCZSA-N	1	0	437.563	3.127	50	0		IGAARO
CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)OCCO2	ZINC000014185096	556385169	/nfs/dbraw/zinc/38/51/69/556385169.db2.gz	VOGMXBFXMBMTND-FQEVSTJZSA-N	1	0	429.542	3.032	50	0		IGAARO
COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1	ZINC000011999537	556385269	/nfs/dbraw/zinc/38/52/69/556385269.db2.gz	GWTCCEPQMFHFPS-SFHVURJKSA-N	1	0	444.528	3.249	50	0		IGAARO
COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c(C)c1C	ZINC000012022505	556387108	/nfs/dbraw/zinc/38/71/08/556387108.db2.gz	JGFRGZBXKXOSDJ-NRFANRHFSA-N	1	0	440.588	3.298	50	0		IGAARO
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2	ZINC000012041737	556391037	/nfs/dbraw/zinc/39/10/37/556391037.db2.gz	FPPWDGODKIFUAN-NRFANRHFSA-N	1	0	427.593	3.310	50	0		IGAARO
Cc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2	ZINC000012053820	556393152	/nfs/dbraw/zinc/39/31/52/556393152.db2.gz	HZIZQVJUZHBEKG-UHFFFAOYSA-N	1	0	442.567	3.437	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC	ZINC000012058012	556394986	/nfs/dbraw/zinc/39/49/86/556394986.db2.gz	PZGWAWRHXVSAEO-HXUWFJFHSA-N	1	0	429.561	3.407	50	0		IGAARO
COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)no1	ZINC000012090808	556402379	/nfs/dbraw/zinc/40/23/79/556402379.db2.gz	RFJRITGQMMZWEY-UHFFFAOYSA-N	1	0	427.501	3.165	50	0		IGAARO
CC(C)c1csc(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)n1	ZINC000012431644	556404402	/nfs/dbraw/zinc/40/44/02/556404402.db2.gz	VFWBKUQQJVFSLH-HXUWFJFHSA-N	1	0	434.650	3.238	50	0		IGAARO
Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014536845	556423726	/nfs/dbraw/zinc/42/37/26/556423726.db2.gz	REJKFDLTPRCULV-OAQYLSRUSA-N	1	0	436.600	3.242	50	0		IGAARO
COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2cccnc2)CC3)cc1	ZINC000014538501	556424383	/nfs/dbraw/zinc/42/43/83/556424383.db2.gz	OJMOUZOQKQYJMF-UHFFFAOYSA-N	1	0	436.556	3.340	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O	ZINC000014542725	556426426	/nfs/dbraw/zinc/42/64/26/556426426.db2.gz	LAWSRWLMPLDFQD-UHFFFAOYSA-N	1	0	447.579	3.142	50	0		IGAARO
[NH3+]CCCOCCOCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000014632710	556430269	/nfs/dbraw/zinc/43/02/69/556430269.db2.gz	RBOKPWRAYLKQAK-UHFFFAOYSA-N	1	0	442.556	3.314	50	0		IGAARO
COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccccc1)CC2	ZINC000014740750	556438483	/nfs/dbraw/zinc/43/84/83/556438483.db2.gz	PPRFPTIXEFQXCO-UHFFFAOYSA-N	1	0	433.552	3.099	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2	ZINC000014748328	556442365	/nfs/dbraw/zinc/44/23/65/556442365.db2.gz	HSZFQQKLIQQREU-FQEVSTJZSA-N	1	0	426.561	3.073	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1	ZINC000014881941	556454064	/nfs/dbraw/zinc/45/40/64/556454064.db2.gz	OZTFAMCOWVUBBG-UHFFFAOYSA-N	1	0	430.556	3.377	50	0		IGAARO
O=C(CCc1ccco1)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000014970961	556467204	/nfs/dbraw/zinc/46/72/04/556467204.db2.gz	JMGCPBQQOHJIHQ-JOCHJYFZSA-N	1	0	427.589	3.318	50	0		IGAARO
C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccn2)CC1	ZINC000014980339	556470184	/nfs/dbraw/zinc/47/01/84/556470184.db2.gz	VEQKANZWEMTNNE-KNQAVFIVSA-N	1	0	435.568	3.450	50	0		IGAARO
O=c1c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1Cc1ccccc1Cl	ZINC000014984148	556471929	/nfs/dbraw/zinc/47/19/29/556471929.db2.gz	MEDKPOIMSBJQQB-GOSISDBHSA-N	1	0	434.920	3.119	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000013575492	556525638	/nfs/dbraw/zinc/52/56/38/556525638.db2.gz	FKANVUAATCYCSN-NXTNOZJCSA-N	1	0	448.361	3.014	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016000574	556572436	/nfs/dbraw/zinc/57/24/36/556572436.db2.gz	JIQQEKSTGQDPMV-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O	ZINC000034811110	556582937	/nfs/dbraw/zinc/58/29/37/556582937.db2.gz	JNISMWLYBCYXNH-QGZVFWFLSA-N	1	0	443.979	3.187	50	0		IGAARO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1F	ZINC000016214954	556591580	/nfs/dbraw/zinc/59/15/80/556591580.db2.gz	VGBGGEHJZFUCJW-UHFFFAOYSA-N	1	0	444.528	3.393	50	0		IGAARO
CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036314001	556596561	/nfs/dbraw/zinc/59/65/61/556596561.db2.gz	QPJSXNKFXCXNND-JOCHJYFZSA-N	1	0	443.588	3.424	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCC[NH+]3CCCCC3)s2)cc1	ZINC000032987094	556606989	/nfs/dbraw/zinc/60/69/89/556606989.db2.gz	HLKZVFPYGBAGHK-UHFFFAOYSA-N	1	0	447.630	3.324	50	0		IGAARO
COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1	ZINC000005057787	556627984	/nfs/dbraw/zinc/62/79/84/556627984.db2.gz	DDPODYPLPTXOCJ-WXZJWSGTSA-N	1	0	427.589	3.326	50	0		IGAARO
COc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1Cl	ZINC000011865992	556665719	/nfs/dbraw/zinc/66/57/19/556665719.db2.gz	AMKPOAFVUUBTBO-SFHVURJKSA-N	1	0	441.959	3.482	50	0		IGAARO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COC)s2)cc1	ZINC000033032141	556712215	/nfs/dbraw/zinc/71/22/15/556712215.db2.gz	YDLPCXBRTATYHV-SFHVURJKSA-N	1	0	445.589	3.321	50	0		IGAARO
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1C	ZINC000055042429	556732842	/nfs/dbraw/zinc/73/28/42/556732842.db2.gz	YAMDQTSYSDNHAM-OAQYLSRUSA-N	1	0	438.572	3.235	50	0		IGAARO
CCN(C(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CC[N@H+](CC)C2)c1ccccc1	ZINC000062007153	556765372	/nfs/dbraw/zinc/76/53/72/556765372.db2.gz	MYMZGVROJFQFJY-UHFFFAOYSA-N	1	0	434.515	3.481	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1	ZINC000062007139	556765380	/nfs/dbraw/zinc/76/53/80/556765380.db2.gz	LVFZEIJBZUZNOY-UHFFFAOYSA-N	1	0	444.535	3.022	50	0		IGAARO
O=C(C[NH2+]CCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000003412914	556814619	/nfs/dbraw/zinc/81/46/19/556814619.db2.gz	OHLNPOOUFPQOGV-UHFFFAOYSA-N	1	0	441.597	3.153	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2	ZINC000097943960	556814827	/nfs/dbraw/zinc/81/48/27/556814827.db2.gz	WXSFUHIEUOZJDB-QFIPXVFZSA-N	1	0	435.503	3.083	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)C1	ZINC000019609050	556831653	/nfs/dbraw/zinc/83/16/53/556831653.db2.gz	NVTVDQKCYJMZBD-LJQANCHMSA-N	1	0	436.597	3.169	50	0		IGAARO
OCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1	ZINC000019642373	556837905	/nfs/dbraw/zinc/83/79/05/556837905.db2.gz	WSHGOYCXHALPAJ-AREMUKBSSA-N	1	0	425.592	3.401	50	0		IGAARO
CCn1c2ccccc2nc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O	ZINC000033259788	556899018	/nfs/dbraw/zinc/89/90/18/556899018.db2.gz	KAVPVKIQFXYIAN-UHFFFAOYSA-N	1	0	436.581	3.289	50	0		IGAARO
CC[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(OC)cc2)CC1	ZINC000019796767	556916260	/nfs/dbraw/zinc/91/62/60/556916260.db2.gz	DUHYIQUWUQZRJF-HSZRJFAPSA-N	1	0	434.540	3.459	50	0		IGAARO
O=S(=O)(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1Cl	ZINC000020412759	557014057	/nfs/dbraw/zinc/01/40/57/557014057.db2.gz	PYEIMDCIHXPIDC-UHFFFAOYSA-N	1	0	442.412	3.480	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c(C)c1	ZINC000010812413	557029516	/nfs/dbraw/zinc/02/95/16/557029516.db2.gz	MHJDXBHKVVAEGB-UHFFFAOYSA-N	1	0	449.661	3.438	50	0		IGAARO
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1I	ZINC000022930419	557049867	/nfs/dbraw/zinc/04/98/67/557049867.db2.gz	XBYOJCXKYNNBBO-UHFFFAOYSA-N	1	0	449.336	3.090	50	0		IGAARO
C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3nc4ccccc4c(=O)[nH]3)cc2)C[C@@H](C)O1	ZINC000048287896	557053595	/nfs/dbraw/zinc/05/35/95/557053595.db2.gz	UVHPVJQCDLSYRR-RTBURBONSA-N	1	0	448.567	3.171	50	0		IGAARO
COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2ccc(OC)cc2OC)c1	ZINC000033278775	557060784	/nfs/dbraw/zinc/06/07/84/557060784.db2.gz	YYANGPCXYKHSMB-UHFFFAOYSA-N	1	0	441.528	3.273	50	0		IGAARO
Cc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1	ZINC000023129721	557066271	/nfs/dbraw/zinc/06/62/71/557066271.db2.gz	IEFVMUWWAFLYNX-INIZCTEOSA-N	1	0	425.483	3.414	50	0		IGAARO
CC(C)[NH+]1CCC(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1	ZINC000010891857	557073295	/nfs/dbraw/zinc/07/32/95/557073295.db2.gz	MKJOOWBPRJEJIV-UHFFFAOYSA-N	1	0	436.394	3.290	50	0		IGAARO
COCCn1c2ccc(C)cc2cc(C[NH2+]CC2(N3CCOCC3)CCCCCC2)c1=O	ZINC000023340226	557086057	/nfs/dbraw/zinc/08/60/57/557086057.db2.gz	GMWZTVNROKCYCX-UHFFFAOYSA-N	1	0	441.616	3.471	50	0		IGAARO
O=C(Nc1cccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCC3)CC2)c1)C1CC1	ZINC000023361887	557087976	/nfs/dbraw/zinc/08/79/76/557087976.db2.gz	WBNVAJVRTVPENM-UHFFFAOYSA-N	1	0	426.605	3.239	50	0		IGAARO
Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)N4CC[NH+](C(C)C)CC4)CC3=O)c2)c1	ZINC000033308660	557089462	/nfs/dbraw/zinc/08/94/62/557089462.db2.gz	IMZAANGYKNZRQK-OAQYLSRUSA-N	1	0	448.567	3.153	50	0		IGAARO
CC(C)c1cc(I)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1	ZINC000000622458	557121403	/nfs/dbraw/zinc/12/14/03/557121403.db2.gz	IPQCVZIIKXQKHL-UHFFFAOYSA-N	1	0	443.314	3.100	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CN2c3ccccc3OCCC2=O)[NH+]2CCCCC2)cc1	ZINC000024762224	557164558	/nfs/dbraw/zinc/16/45/58/557164558.db2.gz	AFLREDCKTMJBEW-JOCHJYFZSA-N	1	0	437.540	3.154	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)CCNC(=O)c1ccccc1Cl)[NH+]1CCCC1	ZINC000024764286	557164930	/nfs/dbraw/zinc/16/49/30/557164930.db2.gz	MWHYSQOAXWNAGG-HXUWFJFHSA-N	1	0	429.948	3.422	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)[NH+]2CCCC2)c1	ZINC000024836701	557166509	/nfs/dbraw/zinc/16/65/09/557166509.db2.gz	YEFXTZAZHSHDLZ-RUZDIDTESA-N	1	0	445.563	3.460	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	ZINC000390827090	557239334	/nfs/dbraw/zinc/23/93/34/557239334.db2.gz	DVSCLZPQTFJALQ-XWGVYQGASA-N	1	0	441.616	3.407	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101344003	557279551	/nfs/dbraw/zinc/27/95/51/557279551.db2.gz	UFUMDZQDAJGBOA-FVJVTNMWSA-N	1	0	435.911	3.388	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COC)s2)cc1	ZINC000033032139	557321696	/nfs/dbraw/zinc/32/16/96/557321696.db2.gz	YDLPCXBRTATYHV-GOSISDBHSA-N	1	0	445.589	3.321	50	0		IGAARO
COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O	ZINC000014534387	557339693	/nfs/dbraw/zinc/33/96/93/557339693.db2.gz	GKZQBFUDROEIJV-UHFFFAOYSA-N	1	0	433.552	3.099	50	0		IGAARO
CCOc1cc(C[NH2+]CCOc2ccccn2)ccc1Oc1nnnn1-c1ccccc1	ZINC000113395594	557373041	/nfs/dbraw/zinc/37/30/41/557373041.db2.gz	AXJDJAUBXRJRDC-UHFFFAOYSA-N	1	0	432.484	3.417	50	0		IGAARO
O=C(c1ccsc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000575560361	557463109	/nfs/dbraw/zinc/46/31/09/557463109.db2.gz	YKKWYMJVFXAHJC-FQEVSTJZSA-N	1	0	426.586	3.119	50	0		IGAARO
C[C@@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc(-n2ccnc2)cc1	ZINC000107553922	557536418	/nfs/dbraw/zinc/53/64/18/557536418.db2.gz	LQSNFQOSXWSSMZ-HOZJOUCCSA-N	1	0	437.544	3.186	50	0		IGAARO
Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000109047777	557545696	/nfs/dbraw/zinc/54/56/96/557545696.db2.gz	ATIOQVYOHRCPKD-CABCVRRESA-N	1	0	436.478	3.410	50	0		IGAARO
CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000229988221	557834789	/nfs/dbraw/zinc/83/47/89/557834789.db2.gz	FWCLZZAOSCRDSU-WIYYLYMNSA-N	1	0	433.524	3.320	50	0		IGAARO
CCOC(=O)C1CCN(C(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1	ZINC000034684081	557848405	/nfs/dbraw/zinc/84/84/05/557848405.db2.gz	UTMLHLVXETZDFL-UHFFFAOYSA-N	1	0	449.595	3.420	50	0		IGAARO
COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)CC3)n2)cc1	ZINC000009405541	562970080	/nfs/dbraw/zinc/97/00/80/562970080.db2.gz	BLMNMQGCYQKRMZ-SFHVURJKSA-N	1	0	441.576	3.200	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1Cl	ZINC000023374359	568613574	/nfs/dbraw/zinc/61/35/74/568613574.db2.gz	FGNQIPOBFFQOPK-RXVVDRJESA-N	1	0	437.918	3.114	50	0		IGAARO
CSc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1	ZINC000015044502	568634589	/nfs/dbraw/zinc/63/45/89/568634589.db2.gz	OIBBWNMHEVYAHV-UHFFFAOYSA-N	1	0	427.570	3.423	50	0		IGAARO
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc1	ZINC000015074074	568635514	/nfs/dbraw/zinc/63/55/14/568635514.db2.gz	XFDFUDQYBQYBSI-QFIPXVFZSA-N	1	0	426.561	3.373	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2nc3ccccc3n2C)cc1	ZINC000299785594	568757537	/nfs/dbraw/zinc/75/75/37/568757537.db2.gz	KTRQSEKIXHFOJH-FQEVSTJZSA-N	1	0	434.540	3.073	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O	ZINC000263585072	568758889	/nfs/dbraw/zinc/75/88/89/568758889.db2.gz	DVSCLZPQTFJALQ-QPTUXGOLSA-N	1	0	441.616	3.407	50	0		IGAARO
CCc1nnsc1C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1	ZINC000083820229	568782639	/nfs/dbraw/zinc/78/26/39/568782639.db2.gz	FQKPEHHLGOOXEF-UHFFFAOYSA-N	1	0	439.379	3.136	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1	ZINC000015671284	568802581	/nfs/dbraw/zinc/80/25/81/568802581.db2.gz	MHXYLGRKNCIBGR-UHFFFAOYSA-N	1	0	443.617	3.211	50	0		IGAARO
COc1ccccc1N1CC[NH+](CCCNC(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1	ZINC000015772810	568823067	/nfs/dbraw/zinc/82/30/67/568823067.db2.gz	BNGCAPBNULPHOL-UHFFFAOYSA-N	1	0	445.567	3.126	50	0		IGAARO
COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(C[NH+]3CCCCCC3)n1C)CC2	ZINC000085879537	568839162	/nfs/dbraw/zinc/83/91/62/568839162.db2.gz	KMPIMQVELROHPD-UHFFFAOYSA-N	1	0	441.572	3.042	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015954601	568859639	/nfs/dbraw/zinc/85/96/39/568859639.db2.gz	LLNGOVUZHCDVFH-KKPNIWNPSA-N	1	0	429.520	3.351	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21	ZINC000016042696	568868458	/nfs/dbraw/zinc/86/84/58/568868458.db2.gz	GNDTUGUQWOMULM-RQXXJAGISA-N	1	0	441.940	3.018	50	0		IGAARO
C[N@@H+]1CCN(CCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)[C@@H](c2ccccc2)C1	ZINC000026153852	568881005	/nfs/dbraw/zinc/88/10/05/568881005.db2.gz	PTLIVDUJWMSJGL-RUZDIDTESA-N	1	0	429.568	3.468	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229892105	568887039	/nfs/dbraw/zinc/88/70/39/568887039.db2.gz	UVNBHTBTYNDYFU-KCXPTXFHSA-N	1	0	441.409	3.137	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000064198071	568893366	/nfs/dbraw/zinc/89/33/66/568893366.db2.gz	QZVFUMCUHFVDPS-KFVPTDEHSA-N	1	0	429.904	3.450	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccc(F)cc23)c1	ZINC000064164454	568893403	/nfs/dbraw/zinc/89/34/03/568893403.db2.gz	WOUAGUDTSZIBLI-UYFSRDTQSA-N	1	0	425.460	3.113	50	0		IGAARO
Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c2)n1	ZINC000240471655	568911969	/nfs/dbraw/zinc/91/19/69/568911969.db2.gz	GDMHGZPAMCLMGT-XUZZJYLKSA-N	1	0	433.556	3.494	50	0		IGAARO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1	ZINC000241371271	568912189	/nfs/dbraw/zinc/91/21/89/568912189.db2.gz	MLYMOVNUUHOSHB-WVSSGHNYSA-N	1	0	440.588	3.075	50	0		IGAARO
Cc1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1	ZINC000036073215	568945708	/nfs/dbraw/zinc/94/57/08/568945708.db2.gz	JHHRKPPDSRJXTC-UHFFFAOYSA-N	1	0	435.528	3.224	50	0		IGAARO
CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC(C)C	ZINC000036151043	568964078	/nfs/dbraw/zinc/96/40/78/568964078.db2.gz	KMRKOSOCNCUPGM-OAQYLSRUSA-N	1	0	431.577	3.424	50	0		IGAARO
COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)CC2CC2)c1	ZINC000169679526	568991028	/nfs/dbraw/zinc/99/10/28/568991028.db2.gz	IYKFUFJACGNUFC-VGOFRKELSA-N	1	0	444.597	3.354	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](C)O	ZINC000036308995	568995654	/nfs/dbraw/zinc/99/56/54/568995654.db2.gz	ACBRHOSXKLKMMX-DENIHFKCSA-N	1	0	446.613	3.281	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000036369539	569088443	/nfs/dbraw/zinc/08/84/43/569088443.db2.gz	MWPMSHAXOHRZSG-VTQYNGMESA-N	1	0	439.596	3.341	50	0		IGAARO
CC1CCN(C(=O)c2cc(NC(=O)c3cccc(Cl)c3)cnc2N2CC[NH2+]CC2)CC1	ZINC000065025432	569090653	/nfs/dbraw/zinc/09/06/53/569090653.db2.gz	WTGRCLUNPDXPIC-UHFFFAOYSA-N	1	0	441.963	3.269	50	0		IGAARO
C[N@H+](CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1)C1CCCCC1	ZINC000065061730	569096799	/nfs/dbraw/zinc/09/67/99/569096799.db2.gz	NHRFVQACJOPIMY-UHFFFAOYSA-N	1	0	441.663	3.310	50	0		IGAARO
CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCCC2)cc1	ZINC000065074632	569098960	/nfs/dbraw/zinc/09/89/60/569098960.db2.gz	VJMKYTAJFQKRFQ-UHFFFAOYSA-N	1	0	446.661	3.477	50	0		IGAARO
CC(C)C(=O)NCc1cnn(-c2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)c1	ZINC000065213065	569116897	/nfs/dbraw/zinc/11/68/97/569116897.db2.gz	JCHHGMFFPJEZSP-UHFFFAOYSA-N	1	0	437.588	3.235	50	0		IGAARO
O=C(c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065255824	569122987	/nfs/dbraw/zinc/12/29/87/569122987.db2.gz	WOYPHZUJOOOWCM-DEOSSOPVSA-N	1	0	445.542	3.334	50	0		IGAARO
O=C(c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1	ZINC000065255818	569123087	/nfs/dbraw/zinc/12/30/87/569123087.db2.gz	LUIGHIJNDJQTEA-DEOSSOPVSA-N	1	0	427.552	3.195	50	0		IGAARO
CCn1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)n1	ZINC000065265708	569127097	/nfs/dbraw/zinc/12/70/97/569127097.db2.gz	HFQJGYXJIJCKKD-DEOSSOPVSA-N	1	0	429.528	3.218	50	0		IGAARO
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000065329568	569136869	/nfs/dbraw/zinc/13/68/69/569136869.db2.gz	OWJDKBNFEBITCS-UHFFFAOYSA-N	1	0	428.920	3.130	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1	ZINC000014333794	569158666	/nfs/dbraw/zinc/15/86/66/569158666.db2.gz	KYEWLNMCNVWEKF-DENIHFKCSA-N	1	0	425.504	3.076	50	0		IGAARO
Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(Br)n1	ZINC000089626719	569159950	/nfs/dbraw/zinc/15/99/50/569159950.db2.gz	SHHMEKLZEQPVEI-UHFFFAOYSA-N	1	0	431.378	3.485	50	0		IGAARO
C[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1	ZINC000089662602	569160931	/nfs/dbraw/zinc/16/09/31/569160931.db2.gz	YJCIZJHZNJHWKV-SFHVURJKSA-N	1	0	431.581	3.350	50	0		IGAARO
CCOCCCC(=O)OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)CCCOCC	ZINC000089986895	569169957	/nfs/dbraw/zinc/16/99/57/569169957.db2.gz	SRYZAWZGCOWURI-ZRZAMGCNSA-N	1	0	449.588	3.454	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1CCCCC1	ZINC000252475050	569185642	/nfs/dbraw/zinc/18/56/42/569185642.db2.gz	RORZEEXYXKYXAP-XUZZJYLKSA-N	1	0	444.620	3.310	50	0		IGAARO
CC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](CC)C[N@@H+]1CC(C)(C)O	ZINC000252587312	569191607	/nfs/dbraw/zinc/19/16/07/569191607.db2.gz	XJLVBEJGGDSBOL-NNWRFLSQSA-N	1	0	447.595	3.150	50	0		IGAARO
COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1	ZINC000581819707	569211462	/nfs/dbraw/zinc/21/14/62/569211462.db2.gz	CYWBMLXBBNBNJN-QHCPKHFHSA-N	1	0	443.632	3.194	50	0		IGAARO
Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cc1	ZINC000581819793	569211557	/nfs/dbraw/zinc/21/15/57/569211557.db2.gz	LHJCCAYGNVZDNH-XMMPIXPASA-N	1	0	442.648	3.492	50	0		IGAARO
CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NCCc4ccccc4)CC3)C2)CC1	ZINC000581820078	569211810	/nfs/dbraw/zinc/21/18/10/569211810.db2.gz	QGQCHPKOMKOUEN-DEOSSOPVSA-N	1	0	442.648	3.226	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000253389863	569264352	/nfs/dbraw/zinc/26/43/52/569264352.db2.gz	XRGXUDGPDOIAIG-AZXNSQLWSA-N	1	0	435.911	3.388	50	0		IGAARO
CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1	ZINC000079092325	569325149	/nfs/dbraw/zinc/32/51/49/569325149.db2.gz	GIFDXIMKZYBAHI-UHFFFAOYSA-N	1	0	429.590	3.377	50	0		IGAARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)NCc4ccco4)ccc3n2)CC1	ZINC000020136415	569335842	/nfs/dbraw/zinc/33/58/42/569335842.db2.gz	WTXBEEGGNPCPJH-UHFFFAOYSA-N	1	0	449.555	3.313	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(OCCOC)nc1	ZINC000095408310	569364756	/nfs/dbraw/zinc/36/47/56/569364756.db2.gz	SJCFCIWKXQELOX-HXUWFJFHSA-N	1	0	428.533	3.331	50	0		IGAARO
CCCN(CC[NH+](CC)CC)CC(=O)Nc1cc2c(cc1Br)OCCO2	ZINC000095943051	569375679	/nfs/dbraw/zinc/37/56/79/569375679.db2.gz	WGHDIEJGGRNBGQ-UHFFFAOYSA-N	1	0	428.371	3.213	50	0		IGAARO
CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000095995537	569378603	/nfs/dbraw/zinc/37/86/03/569378603.db2.gz	PIAUIOSBDHZARI-UYAOXDASSA-N	1	0	437.606	3.254	50	0		IGAARO
CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(C)C	ZINC000003279085	569443803	/nfs/dbraw/zinc/44/38/03/569443803.db2.gz	UFTLKNHKRULZMR-UHFFFAOYSA-N	1	0	429.586	3.287	50	0		IGAARO
COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)[NH+]2CCCC2)cc1	ZINC000008313986	569462578	/nfs/dbraw/zinc/46/25/78/569462578.db2.gz	CGVKYHIQYLCILQ-FPOVZHCZSA-N	1	0	425.554	3.451	50	0		IGAARO
COc1ccc(C2=NN(CC(=O)NCC[N@H+](Cc3ccccc3)C(C)C)C(=O)CC2)cc1	ZINC000008813143	569476685	/nfs/dbraw/zinc/47/66/85/569476685.db2.gz	ALMSIMFYGHMUMG-UHFFFAOYSA-N	1	0	436.556	3.049	50	0		IGAARO
Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cs1	ZINC000040143443	569491939	/nfs/dbraw/zinc/49/19/39/569491939.db2.gz	FPACCDHGIMSJFF-GOSISDBHSA-N	1	0	430.505	3.398	50	0		IGAARO
CN1CCN([C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c2cccs2)CC1	ZINC000245228121	569499758	/nfs/dbraw/zinc/49/97/58/569499758.db2.gz	FQUXFRYQPPJGLR-MZYLBHOOSA-N	1	0	429.630	3.081	50	0		IGAARO
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000009076834	569500347	/nfs/dbraw/zinc/50/03/47/569500347.db2.gz	UTICBJIFIPUXHI-QFIPXVFZSA-N	1	0	449.551	3.472	50	0		IGAARO
CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc21	ZINC000009095123	569501259	/nfs/dbraw/zinc/50/12/59/569501259.db2.gz	VOOBIWMGBFYGSP-RUZDIDTESA-N	1	0	432.568	3.490	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000009302845	569520923	/nfs/dbraw/zinc/52/09/23/569520923.db2.gz	NUXASOIAYFNQAH-VAXXBWFLSA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCCC2	ZINC000009747425	569565859	/nfs/dbraw/zinc/56/58/59/569565859.db2.gz	UCESZFRHZNDNJQ-UHFFFAOYSA-N	1	0	434.993	3.376	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000009440816	132317942	/nfs/dbraw/zinc/31/79/42/132317942.db2.gz	ABYVSRLCRABACW-LJQANCHMSA-N	1	0	440.975	3.387	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(-c2cccc(Cl)c2)o1	ZINC000009561261	132321497	/nfs/dbraw/zinc/32/14/97/132321497.db2.gz	BLFPCMLCRVMNSF-UHFFFAOYSA-N	1	0	425.920	3.332	50	0		IGAARO
CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cc2C1=O	ZINC000011721187	132339248	/nfs/dbraw/zinc/33/92/48/132339248.db2.gz	GVKQCXLWKOFWEE-UHFFFAOYSA-N	1	0	434.540	3.395	50	0		IGAARO
CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	ZINC000012904871	518397120	/nfs/dbraw/zinc/39/71/20/518397120.db2.gz	KTUDHUFUEIPCGW-IBGZPJMESA-N	1	0	437.462	3.255	50	0		IGAARO
CC(=O)N1CCCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1	ZINC000034830389	519525988	/nfs/dbraw/zinc/52/59/88/519525988.db2.gz	AIOKFQCGFPLLAY-MBSDFSHPSA-N	1	0	425.598	3.473	50	0		IGAARO
CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N1CC[NH2+]CC1	ZINC000021664302	520392757	/nfs/dbraw/zinc/39/27/57/520392757.db2.gz	APWNYVVTYRHQGL-UHFFFAOYSA-N	1	0	444.601	3.078	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000022467173	520751211	/nfs/dbraw/zinc/75/12/11/520751211.db2.gz	GQCGXDWLAUUUQV-QFIPXVFZSA-N	1	0	447.576	3.137	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1	ZINC000020907135	520962099	/nfs/dbraw/zinc/96/20/99/520962099.db2.gz	IGLNXFVTSGGACX-FQEVSTJZSA-N	1	0	431.968	3.469	50	0		IGAARO
CCOC(=O)c1c2c(sc1NC(=O)N1CCC(C[NH+]3CCOCC3)CC1)CCCC2	ZINC000020532083	521417244	/nfs/dbraw/zinc/41/72/44/521417244.db2.gz	YJJIALAVKMRGTN-UHFFFAOYSA-N	1	0	435.590	3.380	50	0		IGAARO
CCN1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)[C@@H](C)C1=O	ZINC000012299619	521669721	/nfs/dbraw/zinc/66/97/21/521669721.db2.gz	OSZYUSCDYXREAV-NRFANRHFSA-N	1	0	449.595	3.465	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2oc3ccc4c(c3c2C)[C@@H](O)CC(C)(C)O4)CC1	ZINC000020560075	521682164	/nfs/dbraw/zinc/68/21/64/521682164.db2.gz	IQSYBHHZGHVOOU-KRWDZBQOSA-N	1	0	429.561	3.093	50	0		IGAARO
CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2)CN1Cc1ccc2ccccc2c1	ZINC000020598746	521744757	/nfs/dbraw/zinc/74/47/57/521744757.db2.gz	PTLNAGNWKBFGNG-RPBOFIJWSA-N	1	0	445.563	3.495	50	0		IGAARO
C[NH+](C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1	ZINC000021864524	521757099	/nfs/dbraw/zinc/75/70/99/521757099.db2.gz	SDYMFHQLNDKHES-DEOSSOPVSA-N	1	0	426.561	3.363	50	0		IGAARO
CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1	ZINC000012152092	521966416	/nfs/dbraw/zinc/96/64/16/521966416.db2.gz	ANJYUUXWVMJPOT-UHFFFAOYSA-N	1	0	427.574	3.145	50	0		IGAARO
COc1cc(C(=O)N(C)Cc2nnc(C)o2)ccc1OC1CC[NH+](C2CCCC2)CC1	ZINC000012581717	522058772	/nfs/dbraw/zinc/05/87/72/522058772.db2.gz	MRIBKLBKYVFWRD-UHFFFAOYSA-N	1	0	428.533	3.445	50	0		IGAARO
COc1cc(C[NH2+]CCCO)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040743767	522447159	/nfs/dbraw/zinc/44/71/59/522447159.db2.gz	MDQYDNVARSSCBW-UHFFFAOYSA-N	1	0	437.334	3.256	50	0		IGAARO
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCCC1=O	ZINC000012439074	522657898	/nfs/dbraw/zinc/65/78/98/522657898.db2.gz	SJTXNCOGRUXVNS-UHFFFAOYSA-N	1	0	425.495	3.041	50	0		IGAARO
C[N@@H+](Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1)C[C@H](O)c1ccccc1	ZINC000020913861	523214407	/nfs/dbraw/zinc/21/44/07/523214407.db2.gz	WFISPVAQLOMMGA-NRFANRHFSA-N	1	0	425.916	3.124	50	0		IGAARO
COc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1	ZINC000035929290	523221506	/nfs/dbraw/zinc/22/15/06/523221506.db2.gz	UHYKHEADMHYZMC-UHFFFAOYSA-N	1	0	449.946	3.479	50	0		IGAARO
COCCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000012338176	523898374	/nfs/dbraw/zinc/89/83/74/523898374.db2.gz	PHXAEDIYTZJWBE-GOSISDBHSA-N	1	0	440.540	3.456	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1	ZINC000020775630	523913847	/nfs/dbraw/zinc/91/38/47/523913847.db2.gz	JXOLNTVFAAKCBG-CTNGQTDRSA-N	1	0	437.918	3.114	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccc4c3OCO4)CC2)c(Cl)c1	ZINC000012207045	523926203	/nfs/dbraw/zinc/92/62/03/523926203.db2.gz	JUJPLXDEJSDOHT-UHFFFAOYSA-N	1	0	446.931	3.488	50	0		IGAARO
COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012452873	524006590	/nfs/dbraw/zinc/00/65/90/524006590.db2.gz	JLWLETNFKQEAKE-QFIPXVFZSA-N	1	0	439.556	3.495	50	0		IGAARO
C[C@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000033032600	524303902	/nfs/dbraw/zinc/30/39/02/524303902.db2.gz	FPBYWSGILQBGSC-QGZVFWFLSA-N	1	0	433.474	3.383	50	0		IGAARO
COc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC000012164867	524456012	/nfs/dbraw/zinc/45/60/12/524456012.db2.gz	DWIDYGTZYITXIQ-LJQANCHMSA-N	1	0	433.556	3.155	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1	ZINC000020782858	524477311	/nfs/dbraw/zinc/47/73/11/524477311.db2.gz	JXEOTBPZPSZBJN-QHCPKHFHSA-N	1	0	432.572	3.475	50	0		IGAARO
COc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)cc1	ZINC000020560428	524720645	/nfs/dbraw/zinc/72/06/45/524720645.db2.gz	HUDKRXBQDHWXBQ-UHFFFAOYSA-N	1	0	429.528	3.438	50	0		IGAARO
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c1	ZINC000012904750	524775175	/nfs/dbraw/zinc/77/51/75/524775175.db2.gz	CVXPAUDIQHREOW-SFHVURJKSA-N	1	0	445.585	3.116	50	0		IGAARO
COc1ccc(OC)c(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1	ZINC000022465993	524868474	/nfs/dbraw/zinc/86/84/74/524868474.db2.gz	BHXGZONQJYIMKS-HTAPYJJXSA-N	1	0	428.602	3.367	50	0		IGAARO
C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccn2)CC1	ZINC000014980335	524899518	/nfs/dbraw/zinc/89/95/18/524899518.db2.gz	VEQKANZWEMTNNE-SIKLNZKXSA-N	1	0	435.568	3.450	50	0		IGAARO
COc1ccc(OCC[NH+]2CCN(c3ncnc4c3cnn4-c3ccc(F)cc3)CC2)cc1	ZINC000012813567	524957857	/nfs/dbraw/zinc/95/78/57/524957857.db2.gz	CUMIZJMUADEGCS-UHFFFAOYSA-N	1	0	448.502	3.164	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21	ZINC000020533213	525556972	/nfs/dbraw/zinc/55/69/72/525556972.db2.gz	BFMZDHYCAYZMNW-DVSDUFGPSA-N	1	0	447.988	3.065	50	0		IGAARO
Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)n1	ZINC000035454472	525663989	/nfs/dbraw/zinc/66/39/89/525663989.db2.gz	AXMCUJMMECUNQM-UHFFFAOYSA-N	1	0	439.579	3.211	50	0		IGAARO
Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1NC(=O)C1=CSCCO1	ZINC000021019789	526162436	/nfs/dbraw/zinc/16/24/36/526162436.db2.gz	LAUNMIVXUZAIHA-UHFFFAOYSA-N	1	0	425.554	3.400	50	0		IGAARO
C[C@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)CC1)[NH+]1CCOCC1	ZINC000020455820	526215869	/nfs/dbraw/zinc/21/58/69/526215869.db2.gz	IDUSFYFVFVZLON-LJQANCHMSA-N	1	0	433.556	3.053	50	0		IGAARO
Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000035896726	526230028	/nfs/dbraw/zinc/23/00/28/526230028.db2.gz	NATQXMHKJVRIJR-UHFFFAOYSA-N	1	0	429.524	3.432	50	0		IGAARO
Cc1n[nH]c(C)c1CCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1	ZINC000012449067	526493748	/nfs/dbraw/zinc/49/37/48/526493748.db2.gz	CSSCHWDDFLWRNT-UHFFFAOYSA-N	1	0	433.556	3.437	50	0		IGAARO
O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000035404181	526725211	/nfs/dbraw/zinc/72/52/11/526725211.db2.gz	UMXMIUFZUGFPHD-UHFFFAOYSA-N	1	0	433.600	3.438	50	0		IGAARO
O=C(NCc1cccnc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870013	526768681	/nfs/dbraw/zinc/76/86/81/526768681.db2.gz	AKMNKAGVPZLBCJ-UKILVPOCSA-N	1	0	430.527	3.400	50	0		IGAARO
Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc(N2CCCC2)[nH+]1	ZINC000021793660	526963902	/nfs/dbraw/zinc/96/39/02/526963902.db2.gz	DXFGKFHSKVDEIV-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
O=C(CSc1nnnn1-c1cccc(F)c1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000009663160	527093781	/nfs/dbraw/zinc/09/37/81/527093781.db2.gz	UVGDHKAILXSKGG-UHFFFAOYSA-N	1	0	432.569	3.199	50	0		IGAARO
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000009470839	535272495	/nfs/dbraw/zinc/27/24/95/535272495.db2.gz	YHRWMFBRVVDVGG-UHFFFAOYSA-N	1	0	426.586	3.307	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21	ZINC000002212538	555758275	/nfs/dbraw/zinc/75/82/75/555758275.db2.gz	AGEGLYOFSZSKEM-UHFFFAOYSA-N	1	0	435.459	3.043	50	0		IGAARO
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000002345632	555770557	/nfs/dbraw/zinc/77/05/57/555770557.db2.gz	RWYQVNKLGGZCFL-NRFANRHFSA-N	1	0	434.492	3.467	50	0		IGAARO
O=C(NCC[NH+]1CCCC1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1	ZINC000034684574	555820139	/nfs/dbraw/zinc/82/01/39/555820139.db2.gz	DDFVBZKOPIBWCX-UHFFFAOYSA-N	1	0	426.992	3.488	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2OC)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740542	555883660	/nfs/dbraw/zinc/88/36/60/555883660.db2.gz	YYCRONDSBPKGJX-JTHBVZDNSA-N	1	0	444.547	3.171	50	0		IGAARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000034830317	555911628	/nfs/dbraw/zinc/91/16/28/555911628.db2.gz	CRXWWJUMKFJHMV-MBSDFSHPSA-N	1	0	437.609	3.473	50	0		IGAARO
O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc2c(c1)OCCO2	ZINC000008770441	556213232	/nfs/dbraw/zinc/21/32/32/556213232.db2.gz	STXBJZSPEROKKR-GOSISDBHSA-N	1	0	425.872	3.057	50	0		IGAARO
CCCc1cc(C(=O)N(CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)n(C)n1	ZINC000011703172	556347226	/nfs/dbraw/zinc/34/72/26/556347226.db2.gz	RQZZNMIKOLOIMC-UHFFFAOYSA-N	1	0	442.604	3.382	50	0		IGAARO
CC1=C(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)OCCO1	ZINC000011813487	556356839	/nfs/dbraw/zinc/35/68/39/556356839.db2.gz	XVHRXPZUBROSAS-DEOSSOPVSA-N	1	0	440.584	3.152	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)[NH+]2CCCCC2)cc1	ZINC000014118973	556371565	/nfs/dbraw/zinc/37/15/65/556371565.db2.gz	TWXSGRLGQNLNFC-JOCHJYFZSA-N	1	0	439.556	3.484	50	0		IGAARO
COc1ccccc1CC[NH2+]C1CCN(c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)CC1	ZINC000011912740	556375623	/nfs/dbraw/zinc/37/56/23/556375623.db2.gz	LBMAFJKUOCIRBZ-DEOSSOPVSA-N	1	0	437.584	3.093	50	0		IGAARO
COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)cc1OC	ZINC000011996958	556384217	/nfs/dbraw/zinc/38/42/17/556384217.db2.gz	CCCCFSKYBYJDAK-HXUWFJFHSA-N	1	0	430.520	3.435	50	0		IGAARO
C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000012048951	556391656	/nfs/dbraw/zinc/39/16/56/556391656.db2.gz	REEHSJVHPZVRAT-AWEZNQCLSA-N	1	0	449.433	3.319	50	0		IGAARO
COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc(OC)nc4OC)C3)C2)c1	ZINC000012076845	556398036	/nfs/dbraw/zinc/39/80/36/556398036.db2.gz	GJFAGBMIHPXPFZ-DEOSSOPVSA-N	1	0	425.529	3.236	50	0		IGAARO
Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000059995904	556416691	/nfs/dbraw/zinc/41/66/91/556416691.db2.gz	ATIOQVYOHRCPKD-GJZGRUSLSA-N	1	0	436.478	3.410	50	0		IGAARO
C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000032845469	556429449	/nfs/dbraw/zinc/42/94/49/556429449.db2.gz	LRLWMGYHTWDLDY-MRXNPFEDSA-N	1	0	432.362	3.206	50	0		IGAARO
Cc1c(C[NH+]2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC(C)C)cnn1C	ZINC000014744358	556440445	/nfs/dbraw/zinc/44/04/45/556440445.db2.gz	XHWSEBRTOYPCDS-UHFFFAOYSA-N	1	0	449.599	3.151	50	0		IGAARO
CCN(CC[NH+](CC)CC)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O	ZINC000014879650	556452856	/nfs/dbraw/zinc/45/28/56/556452856.db2.gz	KZAOIKVIMBPIPD-VWLOTQADSA-N	1	0	445.579	3.345	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC	ZINC000014963403	556464866	/nfs/dbraw/zinc/46/48/66/556464866.db2.gz	SNURHSCAWSCYFC-HXUWFJFHSA-N	1	0	445.991	3.413	50	0		IGAARO
CCn1c2ccccc2n(CCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(C)c2)c1=O	ZINC000029405508	556474754	/nfs/dbraw/zinc/47/47/54/556474754.db2.gz	IWRQUMFXYRUXPM-UHFFFAOYSA-N	1	0	435.572	3.302	50	0		IGAARO
Cc1c(C[NH2+]Cc2cc3cc4c(cc3n(Cc3cccc(F)c3)c2=O)OCO4)cnn1C	ZINC000014993749	556476347	/nfs/dbraw/zinc/47/63/47/556476347.db2.gz	GAERKAOGKKUXCS-UHFFFAOYSA-N	1	0	434.471	3.249	50	0		IGAARO
Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1	ZINC000015069930	556495011	/nfs/dbraw/zinc/49/50/11/556495011.db2.gz	XGAOXAGXPYFUJL-SFHVURJKSA-N	1	0	430.574	3.237	50	0		IGAARO
CC(=O)c1ccc(OCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1	ZINC000015071572	556496364	/nfs/dbraw/zinc/49/63/64/556496364.db2.gz	IDGNEPYWAHGLGG-QHCPKHFHSA-N	1	0	435.568	3.390	50	0		IGAARO
COc1ccc2[nH]cc(CC[NH2+]CC3=NO[C@H](Cc4cc5c(c(OC)c4)OCO5)C3)c2c1	ZINC000015085778	556502536	/nfs/dbraw/zinc/50/25/36/556502536.db2.gz	KMYXWLPMTTVNRE-LJQANCHMSA-N	1	0	437.496	3.434	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	ZINC000032906899	556554671	/nfs/dbraw/zinc/55/46/71/556554671.db2.gz	WTMUDAAUNQJGTQ-QGZVFWFLSA-N	1	0	430.346	3.180	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001782	556572788	/nfs/dbraw/zinc/57/27/88/556572788.db2.gz	WPXPQJKMACCQPD-YDLHNXBPSA-N	1	0	435.911	3.388	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016000670	556572833	/nfs/dbraw/zinc/57/28/33/556572833.db2.gz	XHHWFEGPPWWFRP-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016021939	556575461	/nfs/dbraw/zinc/57/54/61/556575461.db2.gz	AUMOASYVBRCJJE-FVJVTNMWSA-N	1	0	437.927	3.102	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000016022181	556575593	/nfs/dbraw/zinc/57/55/93/556575593.db2.gz	NRVYVQKGWHDFGW-DLRJPAPCSA-N	1	0	448.361	3.016	50	0		IGAARO
Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1	ZINC000016046210	556580172	/nfs/dbraw/zinc/58/01/72/556580172.db2.gz	CVHYYMDVLSOVBY-QHCPKHFHSA-N	1	0	437.565	3.463	50	0		IGAARO
C[C@H](CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCCCC1	ZINC000032987694	556607981	/nfs/dbraw/zinc/60/79/81/556607981.db2.gz	DJOHSGOIIJXIRI-QGZVFWFLSA-N	1	0	445.589	3.078	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409415052	556641604	/nfs/dbraw/zinc/64/16/04/556641604.db2.gz	SAHUXLQJUMGPKJ-UGKGYDQZSA-N	1	0	440.588	3.398	50	0		IGAARO
O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCC([NH+]2CCCCC2)CC1	ZINC000005144243	556642218	/nfs/dbraw/zinc/64/22/18/556642218.db2.gz	VRPIQCDLBRIUIN-UHFFFAOYSA-N	1	0	428.606	3.022	50	0		IGAARO
COc1cccc(C[NH2+]CCSc2nnnn2C)c1OCc1c(F)cccc1Cl	ZINC000040721861	556647695	/nfs/dbraw/zinc/64/76/95/556647695.db2.gz	YJLYBEQQIJRFLB-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
CN(C(=O)CCCSc1ccc(NC(=O)c2cccs2)nn1)C1CC[NH+](C)CC1	ZINC000011794001	556656341	/nfs/dbraw/zinc/65/63/41/556656341.db2.gz	OIPCTHSSNQGRHV-UHFFFAOYSA-N	1	0	433.603	3.215	50	0		IGAARO
C[NH2+]CCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1	ZINC000253387928	556657130	/nfs/dbraw/zinc/65/71/30/556657130.db2.gz	QMDKVNSQXPVCRD-RQNOJGIXSA-N	1	0	442.604	3.471	50	0	in-vitro	IGAARO
Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(Br)cc2)c1	ZINC000045966955	556689184	/nfs/dbraw/zinc/68/91/84/556689184.db2.gz	PSPLMJIJUPEVAW-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
CCN(CC[NH+](C)C)S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C	ZINC000046141389	556692792	/nfs/dbraw/zinc/69/27/92/556692792.db2.gz	WUYHAPMMOFWIIO-UHFFFAOYSA-N	1	0	438.550	3.485	50	0		IGAARO
O=C(C1CCOCC1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055071634	556733667	/nfs/dbraw/zinc/73/36/67/556733667.db2.gz	VMHDJWZWMZIMSY-FQEVSTJZSA-N	1	0	425.495	3.245	50	0		IGAARO
O=C(CCn1cccn1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055310770	556740162	/nfs/dbraw/zinc/74/01/62/556740162.db2.gz	MEYSZYZATLRMHL-FQEVSTJZSA-N	1	0	435.494	3.105	50	0		IGAARO
O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1N1CC[NH2+]CC1)c1ccc(Cl)cc1	ZINC000019358919	556745625	/nfs/dbraw/zinc/74/56/25/556745625.db2.gz	IRCARNCHRGIKND-YADHBBJMSA-N	1	0	427.957	3.473	50	0		IGAARO
C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000058434771	556788414	/nfs/dbraw/zinc/78/84/14/556788414.db2.gz	QEGALPRRMDKWHL-KURKYZTESA-N	1	0	438.638	3.054	50	0		IGAARO
COc1ccc(CNC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1OC	ZINC000058549640	556790011	/nfs/dbraw/zinc/79/00/11/556790011.db2.gz	QDPONXQZNDJSPB-GOSISDBHSA-N	1	0	429.536	3.056	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c(OC)c1	ZINC000065363778	556835250	/nfs/dbraw/zinc/83/52/50/556835250.db2.gz	RCJWAJIAYUXCGH-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
Cc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000067339106	556842575	/nfs/dbraw/zinc/84/25/75/556842575.db2.gz	MNUIMYPACIDJBZ-UHFFFAOYSA-N	1	0	435.977	3.298	50	0		IGAARO
C[NH+]1CCC(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1	ZINC000067601956	556843233	/nfs/dbraw/zinc/84/32/33/556843233.db2.gz	COYANBJGRLDZEI-UHFFFAOYSA-N	1	0	435.977	3.130	50	0		IGAARO
COc1cc(C)c(-c2nc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1C	ZINC000067851044	556847432	/nfs/dbraw/zinc/84/74/32/556847432.db2.gz	CYXAAHBLEKVYTG-UHFFFAOYSA-N	1	0	427.545	3.346	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000033131291	556871681	/nfs/dbraw/zinc/87/16/81/556871681.db2.gz	BQQAAWLJOGEAEH-UHFFFAOYSA-N	1	0	427.998	3.120	50	0		IGAARO
O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000004711342	556889772	/nfs/dbraw/zinc/88/97/72/556889772.db2.gz	ZEXDHNRLJMFCFU-VWLOTQADSA-N	1	0	433.596	3.149	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000033254690	556891130	/nfs/dbraw/zinc/89/11/30/556891130.db2.gz	PGXGOLQXWCGIDO-KRWDZBQOSA-N	1	0	442.025	3.121	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CCO)CC1	ZINC000020119853	556987439	/nfs/dbraw/zinc/98/74/39/556987439.db2.gz	QWSRIFXBPOWUCS-FQEVSTJZSA-N	1	0	429.527	3.327	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1	ZINC000097102059	556988304	/nfs/dbraw/zinc/98/83/04/556988304.db2.gz	VQCZKISYSMGOSR-OAHLLOKOSA-N	1	0	429.487	3.407	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1	ZINC000097102056	556988465	/nfs/dbraw/zinc/98/84/65/556988465.db2.gz	VQCZKISYSMGOSR-HNNXBMFYSA-N	1	0	429.487	3.407	50	0		IGAARO
COc1cc(-c2nc(C[NH+]3CCC(CN4CCCC4=O)CC3)c(C)o2)cc2c1OCO2	ZINC000020205597	556998393	/nfs/dbraw/zinc/99/83/93/556998393.db2.gz	QRZWJHCQDGLMSW-UHFFFAOYSA-N	1	0	427.501	3.222	50	0		IGAARO
O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000048272544	557051153	/nfs/dbraw/zinc/05/11/53/557051153.db2.gz	ULIKBORUZQQCCP-UHFFFAOYSA-N	1	0	445.567	3.394	50	0		IGAARO
Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1	ZINC000048252829	557052236	/nfs/dbraw/zinc/05/22/36/557052236.db2.gz	UHSKBFIMIQSSFK-UHFFFAOYSA-N	1	0	425.558	3.107	50	0		IGAARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1	ZINC000023224362	557075068	/nfs/dbraw/zinc/07/50/68/557075068.db2.gz	PNKDWVAJWPJJSB-HNNXBMFYSA-N	1	0	430.911	3.223	50	0		IGAARO
COc1ccc(CN2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1	ZINC000023731817	557111638	/nfs/dbraw/zinc/11/16/38/557111638.db2.gz	GAFDRRIDEUWEEN-QFIPXVFZSA-N	1	0	426.561	3.343	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000049735336	557118400	/nfs/dbraw/zinc/11/84/00/557118400.db2.gz	KYVZENSNHRAAHQ-RPWDQDSNSA-N	1	0	442.302	3.425	50	0		IGAARO
Cc1ccccc1-c1nnn(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1	ZINC000023995642	557131304	/nfs/dbraw/zinc/13/13/04/557131304.db2.gz	HUNDGSJODVJOPQ-UHFFFAOYSA-N	1	0	426.524	3.146	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)c1	ZINC000024988889	557187047	/nfs/dbraw/zinc/18/70/47/557187047.db2.gz	TZUOAGOYDKJCOJ-HXUWFJFHSA-N	1	0	434.964	3.053	50	0		IGAARO
C[NH+](C)Cc1ccc(CSCCNC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)o1	ZINC000023310126	557211905	/nfs/dbraw/zinc/21/19/05/557211905.db2.gz	TZLAHTQJAIKWHW-UHFFFAOYSA-N	1	0	429.498	3.388	50	0		IGAARO
CCC[NH+]1CCN(C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1	ZINC000025480325	557211947	/nfs/dbraw/zinc/21/19/47/557211947.db2.gz	HRHHUJZIIOFION-QFIPXVFZSA-N	1	0	428.573	3.198	50	0		IGAARO
CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@H]12	ZINC000097097347	557212029	/nfs/dbraw/zinc/21/20/29/557212029.db2.gz	UMNSVNVVRASHLC-XMMPIXPASA-N	1	0	432.568	3.483	50	0		IGAARO
O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1ccc(CN2CCOCC2)cc1	ZINC000018217161	557252596	/nfs/dbraw/zinc/25/25/96/557252596.db2.gz	GGKCUEVRIVQWIT-UHFFFAOYSA-N	1	0	432.446	3.204	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21	ZINC000101275250	557266379	/nfs/dbraw/zinc/26/63/79/557266379.db2.gz	XNGIQKMHLZKXQB-YGWSKSRPSA-N	1	0	425.488	3.421	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000101341850	557278900	/nfs/dbraw/zinc/27/89/00/557278900.db2.gz	XHHWFEGPPWWFRP-FLFXDLLNSA-N	1	0	435.911	3.388	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1	ZINC000014237154	557327435	/nfs/dbraw/zinc/32/74/35/557327435.db2.gz	IYIYMPIRCCTWGK-QHCPKHFHSA-N	1	0	443.613	3.287	50	0		IGAARO
CC[NH+]1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccccn3)c2=O)CC1	ZINC000023478412	557363615	/nfs/dbraw/zinc/36/36/15/557363615.db2.gz	HSTDQCLJBMGNKW-RUZDIDTESA-N	1	0	432.568	3.341	50	0		IGAARO
CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)N(CC[NH+](C)C)C(=O)CO3)cc1OC	ZINC000012082453	557527721	/nfs/dbraw/zinc/52/77/21/557527721.db2.gz	WZGDZUFMVMVIGR-YRNVUSSQSA-N	1	0	439.512	3.033	50	0		IGAARO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000106535732	557529779	/nfs/dbraw/zinc/52/97/79/557529779.db2.gz	INMYNIWXRXBYHO-LYXWCMDISA-N	1	0	435.911	3.388	50	0		IGAARO
COc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1	ZINC000025053320	557857096	/nfs/dbraw/zinc/85/70/96/557857096.db2.gz	ZFQBCXFOAHDHAU-UHFFFAOYSA-N	1	0	443.519	3.458	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CSc1nnnn1-c1c(C)cccc1C)c1ccco1	ZINC000009478396	562971791	/nfs/dbraw/zinc/97/17/91/562971791.db2.gz	DNGPWYNHGUWBHK-QGZVFWFLSA-N	1	0	428.562	3.164	50	0		IGAARO
Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CS(=O)(=O)c3ccccc3)sc2c1	ZINC000009707924	562975668	/nfs/dbraw/zinc/97/56/68/562975668.db2.gz	SBXFQLVJVSSOGS-UHFFFAOYSA-N	1	0	431.583	3.363	50	0		IGAARO
C[NH+](C)CCCN(C(=O)C1=COCCO1)c1nc2ccc(Br)cc2s1	ZINC000010067766	562978380	/nfs/dbraw/zinc/97/83/80/562978380.db2.gz	FZJNTEQDWSFMNL-UHFFFAOYSA-N	1	0	426.336	3.232	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1	ZINC000012982422	562983755	/nfs/dbraw/zinc/98/37/55/562983755.db2.gz	UOCWGYYPUUKRJD-QHCPKHFHSA-N	1	0	437.565	3.198	50	0		IGAARO
COc1ccc(Nc2cc(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3n2)cc1	ZINC000020212215	563024043	/nfs/dbraw/zinc/02/40/43/563024043.db2.gz	CBTGAQFHGQPACJ-UHFFFAOYSA-N	1	0	433.556	3.354	50	0		IGAARO
C[C@@H]1CN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC[NH2+]1	ZINC000253604625	568643996	/nfs/dbraw/zinc/64/39/96/568643996.db2.gz	ZQXGJPREKWYQHY-GOSISDBHSA-N	1	0	435.547	3.197	50	0		IGAARO
Cc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3C)c(-c3ccccc3)n2)cc1	ZINC000261492477	568734734	/nfs/dbraw/zinc/73/47/34/568734734.db2.gz	CIILBSBCZDAUHK-UHFFFAOYSA-N	1	0	434.573	3.097	50	0		IGAARO
O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000005938965	568738572	/nfs/dbraw/zinc/73/85/72/568738572.db2.gz	AWGLHAUAFJZOQS-JWQCQUIFSA-N	1	0	425.569	3.191	50	0		IGAARO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H](C)O1	ZINC000063307024	568738638	/nfs/dbraw/zinc/73/86/38/568738638.db2.gz	GZSWWXAUPPBCSR-PWRODBHTSA-N	1	0	444.620	3.390	50	0		IGAARO
O=C([C@H]1CC12CC[NH+](Cc1ccc(CO)o1)CC2)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000299764932	568756169	/nfs/dbraw/zinc/75/61/69/568756169.db2.gz	XBRIDNWXBIUPKK-CIFMFNLYSA-N	1	0	449.595	3.232	50	0		IGAARO
CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3cccc(OC)c3OC)CC2)c1	ZINC000299767865	568756393	/nfs/dbraw/zinc/75/63/93/568756393.db2.gz	WSBUCYPJVBUWKB-UHFFFAOYSA-N	1	0	433.574	3.224	50	0		IGAARO
CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)c1	ZINC000299773854	568756799	/nfs/dbraw/zinc/75/67/99/568756799.db2.gz	GHRQOZUOKZFMIW-UHFFFAOYSA-N	1	0	439.585	3.393	50	0		IGAARO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@H](OCC)C12CCCCC2	ZINC000084750357	568801012	/nfs/dbraw/zinc/80/10/12/568801012.db2.gz	JXKHJAIEPFCSNA-PMACEKPBSA-N	1	0	437.606	3.112	50	0		IGAARO
CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)c1C	ZINC000085698091	568834616	/nfs/dbraw/zinc/83/46/16/568834616.db2.gz	DOPOXFAHIQFAMK-UHFFFAOYSA-N	1	0	446.636	3.197	50	0		IGAARO
Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)N[C@H]2COc3ccccc3C2)CC1	ZINC000015787323	568836890	/nfs/dbraw/zinc/83/68/90/568836890.db2.gz	XWDDVDVNSLGHRK-OAQYLSRUSA-N	1	0	442.991	3.463	50	0		IGAARO
C[NH+]1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000575442987	568868284	/nfs/dbraw/zinc/86/82/84/568868284.db2.gz	MPTSESKQVWQYNH-HXUWFJFHSA-N	1	0	446.507	3.273	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000524730832	568904171	/nfs/dbraw/zinc/90/41/71/568904171.db2.gz	YTSZHHLZYOSNQG-KMDXXIMOSA-N	1	0	441.616	3.165	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000240886235	568912074	/nfs/dbraw/zinc/91/20/74/568912074.db2.gz	INYXXHADLGIQAP-XUVXKRRUSA-N	1	0	447.576	3.278	50	0		IGAARO
COc1ccc(COCCCC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1	ZINC000089382534	568921464	/nfs/dbraw/zinc/92/14/64/568921464.db2.gz	DIXIWZZCTZXQBY-VWLOTQADSA-N	1	0	439.600	3.487	50	0		IGAARO
CCNc1nc(N2CCN(S(=O)(=O)c3cc(C(C)(C)C)ccc3OC)CC2)cc(C)[nH+]1	ZINC000064800700	568961291	/nfs/dbraw/zinc/96/12/91/568961291.db2.gz	HAKJHQDHHCNJSO-UHFFFAOYSA-N	1	0	447.605	3.034	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCCC[NH+](C)C)nn1-c1ccccc1F)C2	ZINC000036366617	569087262	/nfs/dbraw/zinc/08/72/62/569087262.db2.gz	ZMHAOXYSORNENO-UHFFFAOYSA-N	1	0	438.503	3.281	50	0		IGAARO
C[C@@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+]1CCCC1	ZINC000065062063	569096966	/nfs/dbraw/zinc/09/69/66/569096966.db2.gz	YACMYDMEEFIUDB-HNNXBMFYSA-N	1	0	448.054	3.183	50	0		IGAARO
Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CC[NH+](C)CC4)s3)no2)cc1	ZINC000065062956	569097735	/nfs/dbraw/zinc/09/77/35/569097735.db2.gz	JRHWUACZXNFZGT-UHFFFAOYSA-N	1	0	425.558	3.141	50	0		IGAARO
Cn1cc(CC[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2cccnc21	ZINC000065164963	569112960	/nfs/dbraw/zinc/11/29/60/569112960.db2.gz	GECRRFPZPDRYEI-UHFFFAOYSA-N	1	0	431.584	3.177	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1	ZINC000065226974	569118056	/nfs/dbraw/zinc/11/80/56/569118056.db2.gz	IXIJIGMVKSJNNR-HXUWFJFHSA-N	1	0	430.556	3.022	50	0		IGAARO
C[N@H+](CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)Cc1ccccc1	ZINC000036717829	569136971	/nfs/dbraw/zinc/13/69/71/569136971.db2.gz	MKMOOTKEMKOKBC-HSZRJFAPSA-N	1	0	431.536	3.485	50	0		IGAARO
C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170601565	569143018	/nfs/dbraw/zinc/14/30/18/569143018.db2.gz	JZMPUYMAOIIEAE-RTWAWAEBSA-N	1	0	436.641	3.042	50	0		IGAARO
C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170621512	569147561	/nfs/dbraw/zinc/14/75/61/569147561.db2.gz	QBUHMEOSCJEHJZ-OALUTQOASA-N	1	0	448.583	3.417	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12	ZINC000249691143	569155357	/nfs/dbraw/zinc/15/53/57/569155357.db2.gz	LCYCYKCRGGTNNL-XHOYROJHSA-N	1	0	435.911	3.186	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1Cl	ZINC000014574126	569159337	/nfs/dbraw/zinc/15/93/37/569159337.db2.gz	RPXLVACPMLQZDZ-FUHIMQAGSA-N	1	0	433.980	3.404	50	0		IGAARO
COc1cn(CC(=O)Nc2ccc(Br)cc2)c(C[NH+]2CCCCC2)cc1=O	ZINC000016974379	569168473	/nfs/dbraw/zinc/16/84/73/569168473.db2.gz	LWSNUKMXZSWUIE-UHFFFAOYSA-N	1	0	434.334	3.244	50	0		IGAARO
COCCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c1=O	ZINC000016993330	569169883	/nfs/dbraw/zinc/16/98/83/569169883.db2.gz	ABFKQKUHRNHQQX-QHCPKHFHSA-N	1	0	430.545	3.347	50	0		IGAARO
CCOCCCC(=O)OC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1COC(=O)CCCOCC	ZINC000089986900	569169964	/nfs/dbraw/zinc/16/99/64/569169964.db2.gz	SRYZAWZGCOWURI-GOTSBHOMSA-N	1	0	449.588	3.454	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000002093342	569178934	/nfs/dbraw/zinc/17/89/34/569178934.db2.gz	DLPGSFRECXFFPX-WWRRBMLUSA-N	1	0	428.548	3.233	50	0		IGAARO
COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000252444459	569183766	/nfs/dbraw/zinc/18/37/66/569183766.db2.gz	FVQOJZMQWHKUOU-UXHICEINSA-N	1	0	427.497	3.246	50	0		IGAARO
Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1	ZINC000581820083	569211745	/nfs/dbraw/zinc/21/17/45/569211745.db2.gz	QKHPVADGNBPURF-HSZRJFAPSA-N	1	0	428.621	3.244	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1c1cccc(OC)c1)C(C)=O	ZINC000253388877	569264344	/nfs/dbraw/zinc/26/43/44/569264344.db2.gz	UUXWJLWDEHYVND-DHLKQENFSA-N	1	0	426.557	3.414	50	0		IGAARO
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1	ZINC000253403145	569265108	/nfs/dbraw/zinc/26/51/08/569265108.db2.gz	PJOXTLKVNJOTNE-UHFFFAOYSA-N	1	0	439.647	3.167	50	0		IGAARO
O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000079189742	569327985	/nfs/dbraw/zinc/32/79/85/569327985.db2.gz	TYBPHPWORRHIGX-SQJMNOBHSA-N	1	0	444.579	3.368	50	0		IGAARO
Cc1cc(=O)c(C(=O)NCC2(C[NH+](C)C)CCCC2)nn1-c1cccc(C(F)(F)F)c1	ZINC000095940145	569375215	/nfs/dbraw/zinc/37/52/15/569375215.db2.gz	ANBGRQBWQGCAEM-UHFFFAOYSA-N	1	0	436.478	3.412	50	0		IGAARO
Fc1ccc(-c2nnc(SCCC[NH+]3CCCCC3)n2CCN2CCOCC2)cc1	ZINC000095946378	569376060	/nfs/dbraw/zinc/37/60/60/569376060.db2.gz	QEXYQKNBWYKCQV-UHFFFAOYSA-N	1	0	433.597	3.385	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000057120967	569429543	/nfs/dbraw/zinc/42/95/43/569429543.db2.gz	QZVFUMCUHFVDPS-OLZZKDKNSA-N	1	0	429.904	3.450	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1	ZINC000057270807	569430347	/nfs/dbraw/zinc/43/03/47/569430347.db2.gz	KDSGABXMFXCZGN-QHCPKHFHSA-N	1	0	435.524	3.430	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21	ZINC000230080891	569434251	/nfs/dbraw/zinc/43/42/51/569434251.db2.gz	QQFZVKLOOLULLM-OFNKIYASSA-N	1	0	436.556	3.319	50	0		IGAARO
COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000503922513	569441553	/nfs/dbraw/zinc/44/15/53/569441553.db2.gz	WONADYUPQGLGDE-QZTJIDSGSA-N	1	0	428.533	3.067	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1c2c(C)nn(-c3ccccc3)c2SCC1=O	ZINC000015735121	569448095	/nfs/dbraw/zinc/44/80/95/569448095.db2.gz	RTXVKTATCBYRNE-IBGZPJMESA-N	1	0	441.601	3.000	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000032078547	569459417	/nfs/dbraw/zinc/45/94/17/569459417.db2.gz	SFSNHTRPPMFYAT-KRWDZBQOSA-N	1	0	426.948	3.392	50	0		IGAARO
CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1	ZINC000008478288	569465853	/nfs/dbraw/zinc/46/58/53/569465853.db2.gz	YTQIAVFIYHFXQQ-IFMALSPDSA-N	1	0	427.545	3.386	50	0		IGAARO
Cc1cccc(-c2ncc(CN3CCN(C4CC[NH+](C(C)C)CC4)[C@H](CCO)C3)cn2)c1	ZINC000039362408	569481486	/nfs/dbraw/zinc/48/14/86/569481486.db2.gz	ZNWGQQZGFNNSKT-RUZDIDTESA-N	1	0	437.632	3.193	50	0		IGAARO
Cc1ccc2c(C)c(CCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)oc2c1	ZINC000040013479	569482572	/nfs/dbraw/zinc/48/25/72/569482572.db2.gz	ZLERTQNSGYMGLW-UHFFFAOYSA-N	1	0	426.557	3.494	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1cccc(F)c1	ZINC000040068093	569485051	/nfs/dbraw/zinc/48/50/51/569485051.db2.gz	APSKSUJKUFPLIT-OAQYLSRUSA-N	1	0	433.549	3.079	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)cc2)CC1	ZINC000040120103	569489448	/nfs/dbraw/zinc/48/94/48/569489448.db2.gz	RRFIXRXKYVCMBF-UHFFFAOYSA-N	1	0	428.508	3.198	50	0		IGAARO
Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cs1	ZINC000040143441	569491954	/nfs/dbraw/zinc/49/19/54/569491954.db2.gz	FPACCDHGIMSJFF-SFHVURJKSA-N	1	0	430.505	3.398	50	0		IGAARO
CN1CCN([C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c2cccs2)CC1	ZINC000245228122	569499716	/nfs/dbraw/zinc/49/97/16/569499716.db2.gz	FQUXFRYQPPJGLR-WWNPGLIZSA-N	1	0	429.630	3.081	50	0		IGAARO
Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2	ZINC000069870931	569522035	/nfs/dbraw/zinc/52/20/35/569522035.db2.gz	RXALAEOBMVUKPB-UHFFFAOYSA-N	1	0	431.540	3.043	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)[NH+]2CCCCC2)cc1	ZINC000009593908	569550510	/nfs/dbraw/zinc/55/05/10/569550510.db2.gz	SYLZAXYWXYBZIW-QFIPXVFZSA-N	1	0	436.560	3.026	50	0		IGAARO
COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)nc21	ZINC000009604152	569551851	/nfs/dbraw/zinc/55/18/51/569551851.db2.gz	LSLRIDUYGBBIBR-GOSISDBHSA-N	1	0	427.526	3.348	50	0		IGAARO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000009641930	569555814	/nfs/dbraw/zinc/55/58/14/569555814.db2.gz	MKURGWCZNJBQLV-JOCHJYFZSA-N	1	0	441.597	3.256	50	0		IGAARO
O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(NC(=O)C2=CSCCO2)cc1	ZINC000009738166	569564875	/nfs/dbraw/zinc/56/48/75/569564875.db2.gz	MGWFNKNGWLAQIS-UHFFFAOYSA-N	1	0	437.565	3.408	50	0		IGAARO
CCn1c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2nc(C)c1=O	ZINC000009864921	569572117	/nfs/dbraw/zinc/57/21/17/569572117.db2.gz	BQIDGOBBFBOKTE-QHCPKHFHSA-N	1	0	434.540	3.300	50	0		IGAARO
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1	ZINC000010333981	569581032	/nfs/dbraw/zinc/58/10/32/569581032.db2.gz	YKZBGPUHKDYTKF-DEOSSOPVSA-N	1	0	431.536	3.418	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(Cl)cc2)CC1	ZINC000009907995	132331486	/nfs/dbraw/zinc/33/14/86/132331486.db2.gz	GPVZKXKENGFCTO-UHFFFAOYSA-N	1	0	431.920	3.286	50	0		IGAARO
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)c(F)c1	ZINC000012563705	518348957	/nfs/dbraw/zinc/34/89/57/518348957.db2.gz	FACNRXZOLBQMOY-UHFFFAOYSA-N	1	0	438.547	3.385	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(Cl)c1)C2	ZINC000014748573	519534056	/nfs/dbraw/zinc/53/40/56/519534056.db2.gz	WXILDINJHPNUPJ-HXUWFJFHSA-N	1	0	445.007	3.355	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc32)C1	ZINC000020564849	520680936	/nfs/dbraw/zinc/68/09/36/520680936.db2.gz	FBNXOGNJFPLXBL-FQEVSTJZSA-N	1	0	449.603	3.107	50	0		IGAARO
CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1	ZINC000012807864	521667035	/nfs/dbraw/zinc/66/70/35/521667035.db2.gz	XCSFFLLHUJGLPE-AUSIDOKSSA-N	1	0	434.584	3.451	50	0		IGAARO
CCN1C[C@H](CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1=O	ZINC000012612259	521729740	/nfs/dbraw/zinc/72/97/40/521729740.db2.gz	KKWVWDGAQVCNNS-QFIPXVFZSA-N	1	0	449.595	3.371	50	0		IGAARO
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000012753135	521850703	/nfs/dbraw/zinc/85/07/03/521850703.db2.gz	MIIFSVKFENBIJC-HRAATJIYSA-N	1	0	443.979	3.270	50	0		IGAARO
C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1	ZINC000012607414	521906176	/nfs/dbraw/zinc/90/61/76/521906176.db2.gz	LGAKOXMFJFHVST-UHFFFAOYSA-N	1	0	440.569	3.159	50	0		IGAARO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1	ZINC000021718089	521979591	/nfs/dbraw/zinc/97/95/91/521979591.db2.gz	SSDMJPOLDHOHAE-UHFFFAOYSA-N	1	0	431.533	3.236	50	0		IGAARO
COc1cc(Br)cc(C[NH2+]CCCSc2nnnn2C)c1OC(C)C	ZINC000040744637	522025701	/nfs/dbraw/zinc/02/57/01/522025701.db2.gz	MSEDCAHQKHRUFJ-UHFFFAOYSA-N	1	0	430.372	3.040	50	0		IGAARO
COC[C@@H](C)[NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1	ZINC000012242901	522250744	/nfs/dbraw/zinc/25/07/44/522250744.db2.gz	SOFFQVLMYUUKAO-LJQANCHMSA-N	1	0	427.564	3.320	50	0		IGAARO
COc1cc(CNCc2cnc(C)cn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012465608	522470267	/nfs/dbraw/zinc/47/02/67/522470267.db2.gz	QXHHVZVUHSKBDS-JOCHJYFZSA-N	1	0	428.577	3.089	50	0		IGAARO
COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C	ZINC000012202269	522778128	/nfs/dbraw/zinc/77/81/28/522778128.db2.gz	KNAQVVTZRTZOGK-VWLOTQADSA-N	1	0	447.583	3.463	50	0		IGAARO
COc1ccc(-n2nc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1	ZINC000020804979	523342245	/nfs/dbraw/zinc/34/22/45/523342245.db2.gz	LHWCEYJRVJVWQR-RTBURBONSA-N	1	0	448.567	3.492	50	0		IGAARO
COc1ccc(C(=O)NCCCC[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)cc1	ZINC000012369366	523694016	/nfs/dbraw/zinc/69/40/16/523694016.db2.gz	LMSLIEMGUFGBLI-UHFFFAOYSA-N	1	0	436.478	3.441	50	0		IGAARO
COCCN(Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000012703175	523751215	/nfs/dbraw/zinc/75/12/15/523751215.db2.gz	GJIGHVWXCRSKRK-QHCPKHFHSA-N	1	0	438.612	3.386	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)CC1	ZINC000022810558	523898976	/nfs/dbraw/zinc/89/89/76/523898976.db2.gz	UDGRMHPNMWEYNI-UHFFFAOYSA-N	1	0	438.959	3.011	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccc(Cl)cc1	ZINC000020599889	523914333	/nfs/dbraw/zinc/91/43/33/523914333.db2.gz	YXIOPLUHODQDEL-UWJYYQICSA-N	1	0	437.918	3.114	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cn2)CC1	ZINC000012792344	523926463	/nfs/dbraw/zinc/92/64/63/523926463.db2.gz	ULCDJVQKXSQONL-UHFFFAOYSA-N	1	0	439.741	3.267	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccc(OC)c2)CC1	ZINC000012454498	523926674	/nfs/dbraw/zinc/92/66/74/523926674.db2.gz	RCNSVHPUZGSCQU-UHFFFAOYSA-N	1	0	428.529	3.123	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c(C)c1C	ZINC000020995138	524033366	/nfs/dbraw/zinc/03/33/66/524033366.db2.gz	MWXUSEVBZSBWRX-QFIPXVFZSA-N	1	0	428.573	3.398	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851723	524059383	/nfs/dbraw/zinc/05/93/83/524059383.db2.gz	VBOJFGGJQAXEHP-ZUVQJFRASA-N	1	0	429.520	3.297	50	0		IGAARO
COc1ccc(CNc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)cc1	ZINC000021929332	524106194	/nfs/dbraw/zinc/10/61/94/524106194.db2.gz	FKHKUYZFULBQGI-UHFFFAOYSA-N	1	0	443.555	3.306	50	0		IGAARO
COc1ccccc1CN1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCC2)CCC1=O	ZINC000012432460	524454635	/nfs/dbraw/zinc/45/46/35/524454635.db2.gz	UVQPBZIQGNXARS-OAQYLSRUSA-N	1	0	427.589	3.349	50	0		IGAARO
Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)NCCc4ccccc4)[nH]c(=O)c3C2)cc1	ZINC000020467781	524477695	/nfs/dbraw/zinc/47/76/95/524477695.db2.gz	BRULXAWYXGTCMW-UHFFFAOYSA-N	1	0	448.592	3.500	50	0		IGAARO
C[C@H]1Cc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)ccc2N1C(=O)C1CCC1	ZINC000021871144	524982683	/nfs/dbraw/zinc/98/26/83/524982683.db2.gz	XQJYGLDILUBLJV-ROUUACIJSA-N	1	0	433.618	3.165	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C2=C(C)OCCO2)CC1	ZINC000012314953	525135511	/nfs/dbraw/zinc/13/55/11/525135511.db2.gz	LWFCDBKSHUCNGD-HSZRJFAPSA-N	1	0	428.573	3.493	50	0		IGAARO
Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698186	525326006	/nfs/dbraw/zinc/32/60/06/525326006.db2.gz	ZLKXXCBZRVDTDX-JOCHJYFZSA-N	1	0	427.932	3.494	50	0		IGAARO
Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1	ZINC000035454303	525667418	/nfs/dbraw/zinc/66/74/18/525667418.db2.gz	GJWIEYJFHPWCRK-XMMPIXPASA-N	1	0	435.616	3.462	50	0		IGAARO
COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000035421864	525921349	/nfs/dbraw/zinc/92/13/49/525921349.db2.gz	CVUMCJIPBUKIQB-UHFFFAOYSA-N	1	0	449.473	3.178	50	0		IGAARO
CSc1nc2nc(C)c(CCC(=O)NCc3ccccc3C[NH+]3CCCC3)c(C)n2n1	ZINC000021962466	526218418	/nfs/dbraw/zinc/21/84/18/526218418.db2.gz	NPWJDYSOEMTITN-UHFFFAOYSA-N	1	0	438.601	3.308	50	0		IGAARO
Cc1nn(CCCC(=O)NCCC[N@@H+](C)C2CCCCC2)c(=O)c2cc3occc3n21	ZINC000020866574	526278879	/nfs/dbraw/zinc/27/88/79/526278879.db2.gz	HASNBGOAJQMWCZ-UHFFFAOYSA-N	1	0	427.549	3.102	50	0		IGAARO
Cc1nn(CCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3occc3n21	ZINC000020866491	526279553	/nfs/dbraw/zinc/27/95/53/526279553.db2.gz	XMOANTYYJAZSON-UHFFFAOYSA-N	1	0	447.539	3.112	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cc1)N1CCC[C@H](O)C1	ZINC000012470599	526697623	/nfs/dbraw/zinc/69/76/23/526697623.db2.gz	OBEJSHXSVZOQQD-NRFANRHFSA-N	1	0	429.511	3.320	50	0		IGAARO
O=C(CN1CCCCC1=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012439816	526737555	/nfs/dbraw/zinc/73/75/55/526737555.db2.gz	IDNFIJWEOUWREY-QFIPXVFZSA-N	1	0	445.579	3.058	50	0		IGAARO
O=C(NCc1nnc2n1CCC2)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000012718504	526836353	/nfs/dbraw/zinc/83/63/53/526836353.db2.gz	WROFFCQXZLBLGA-UHFFFAOYSA-N	1	0	445.567	3.240	50	0		IGAARO
O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012279397	526989586	/nfs/dbraw/zinc/98/95/86/526989586.db2.gz	SRRODPDCOZNMTK-GOTSBHOMSA-N	1	0	425.548	3.450	50	0		IGAARO
CC[NH+](CC)CCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3	ZINC000002299491	535543004	/nfs/dbraw/zinc/54/30/04/535543004.db2.gz	IRPQYPQMBNCPCG-UHFFFAOYSA-N	1	0	441.605	3.104	50	0		IGAARO
CCOC(=O)c1c(C)n(C[C@@H](O)C[NH2+]C(C)C)c2cc(Br)c(OC)cc21	ZINC000001228258	555686237	/nfs/dbraw/zinc/68/62/37/555686237.db2.gz	PSQKGIFUJXSCLW-ZDUSSCGKSA-N	1	0	427.339	3.256	50	0		IGAARO
CCOc1cc(C[NH2+]CCO)cc(I)c1OCc1ccccc1	ZINC000002741019	555807349	/nfs/dbraw/zinc/80/73/49/555807349.db2.gz	BWOLHSGOUROVGP-UHFFFAOYSA-N	1	0	427.282	3.351	50	0		IGAARO
Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1	ZINC000034717000	555866609	/nfs/dbraw/zinc/86/66/09/555866609.db2.gz	VLZLPMDJRKXSJT-UHFFFAOYSA-N	1	0	435.553	3.493	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)c2cn3cc(-c4ccc(C(F)(F)F)cc4)ccc3n2)CC1	ZINC000034831151	555912270	/nfs/dbraw/zinc/91/22/70/555912270.db2.gz	XBYOFDRFQHZCFY-UHFFFAOYSA-N	1	0	445.489	3.387	50	0		IGAARO
COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)C(C)C	ZINC000034834524	555913875	/nfs/dbraw/zinc/91/38/75/555913875.db2.gz	IMDBASKFMSRENM-UHFFFAOYSA-N	1	0	445.583	3.093	50	0		IGAARO
O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000005897231	556068931	/nfs/dbraw/zinc/06/89/31/556068931.db2.gz	RPXKAZZLVHURRO-HXUWFJFHSA-N	1	0	425.573	3.128	50	0		IGAARO
CCOc1cccc(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)c1	ZINC000011775646	556351042	/nfs/dbraw/zinc/35/10/42/556351042.db2.gz	TZFJFLQGRDVXOY-XMMPIXPASA-N	1	0	429.605	3.057	50	0		IGAARO
O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1	ZINC000011790230	556355316	/nfs/dbraw/zinc/35/53/16/556355316.db2.gz	BVJOFNXSCCJNEH-SFHVURJKSA-N	1	0	433.474	3.371	50	0		IGAARO
COc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	ZINC000011812811	556356344	/nfs/dbraw/zinc/35/63/44/556356344.db2.gz	MRPYXJUIJQZNJJ-FQEVSTJZSA-N	1	0	437.544	3.455	50	0		IGAARO
CN(CCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000014083916	556363604	/nfs/dbraw/zinc/36/36/04/556363604.db2.gz	BWVOJFPJKASOAI-UHFFFAOYSA-N	1	0	433.549	3.461	50	0		IGAARO
COc1ccc(C[N@@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)c2ccccc12	ZINC000011976495	556383031	/nfs/dbraw/zinc/38/30/31/556383031.db2.gz	XSGCGGHPKZIAKM-UGKGYDQZSA-N	1	0	434.544	3.053	50	0		IGAARO
Cc1nn(C)c(C)c1CNC(=O)c1ccc(C[NH+]2CCC(c3ccccc3)CC2)[nH]c1=O	ZINC000011982428	556383574	/nfs/dbraw/zinc/38/35/74/556383574.db2.gz	ONQHCYYGQRHCCI-UHFFFAOYSA-N	1	0	433.556	3.035	50	0		IGAARO
COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccco3)O2)CC1	ZINC000011999540	556385379	/nfs/dbraw/zinc/38/53/79/556385379.db2.gz	GWTCCEPQMFHFPS-GOSISDBHSA-N	1	0	444.528	3.249	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1	ZINC000012051924	556392522	/nfs/dbraw/zinc/39/25/22/556392522.db2.gz	QZGCTLFZWSPYJV-SFHVURJKSA-N	1	0	448.995	3.461	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1=O	ZINC000014531351	556420610	/nfs/dbraw/zinc/42/06/10/556420610.db2.gz	WZORCDNYRZARDK-JOCHJYFZSA-N	1	0	425.573	3.331	50	0		IGAARO
C[C@H](NC(=O)c1nn(CCO)c2c1C[N@H+](CCCc1ccccc1)CC2)c1ccccc1	ZINC000014535250	556423189	/nfs/dbraw/zinc/42/31/89/556423189.db2.gz	IUFHIZHYWXSSBV-FQEVSTJZSA-N	1	0	432.568	3.357	50	0		IGAARO
CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21	ZINC000022936140	556438064	/nfs/dbraw/zinc/43/80/64/556438064.db2.gz	JYMZXGITFKIUHI-UHFFFAOYSA-N	1	0	441.963	3.475	50	0		IGAARO
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCC1)C2	ZINC000014751469	556443582	/nfs/dbraw/zinc/44/35/82/556443582.db2.gz	XHCZSESUUWJIMF-OAQYLSRUSA-N	1	0	436.600	3.334	50	0		IGAARO
CCOc1ccc(OCCOc2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)cc2OCC)cc1	ZINC000013100443	556459842	/nfs/dbraw/zinc/45/98/42/556459842.db2.gz	GPONXMKJYHDLOQ-IBGZPJMESA-N	1	0	449.569	3.219	50	0		IGAARO
CCOC(=O)N1CCC([NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)CC1	ZINC000014979352	556470234	/nfs/dbraw/zinc/47/02/34/556470234.db2.gz	SIVVQAHZRSHWQE-UHFFFAOYSA-N	1	0	438.503	3.294	50	0		IGAARO
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](C[C@@H]5CC=CCC5)CC4)c3C2=O)n1	ZINC000015007668	556482329	/nfs/dbraw/zinc/48/23/29/556482329.db2.gz	IMTBQMOZJIGTQQ-OAQYLSRUSA-N	1	0	447.583	3.274	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1COC	ZINC000015007827	556482351	/nfs/dbraw/zinc/48/23/51/556482351.db2.gz	MQYHXQALGOGIRF-UHFFFAOYSA-N	1	0	448.571	3.036	50	0		IGAARO
CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1	ZINC000015064537	556492134	/nfs/dbraw/zinc/49/21/34/556492134.db2.gz	IXBQCGXSZCQSKL-UHFFFAOYSA-N	1	0	436.516	3.226	50	0		IGAARO
COc1ccc(/C=C/C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	ZINC000015070922	556495854	/nfs/dbraw/zinc/49/58/54/556495854.db2.gz	SNSBCCQUNWYOFE-BDUNBXCCSA-N	1	0	435.528	3.251	50	0		IGAARO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1	ZINC000030666173	556501404	/nfs/dbraw/zinc/50/14/04/556501404.db2.gz	CIEOTPQTBMHXQR-NFBKMPQASA-N	1	0	432.996	3.029	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000013572226	556522787	/nfs/dbraw/zinc/52/27/87/556522787.db2.gz	AUMOASYVBRCJJE-FLFXDLLNSA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1cc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CC[NH+](C)CC1	ZINC000032901798	556537751	/nfs/dbraw/zinc/53/77/51/556537751.db2.gz	SJTLTDSINZWUMD-DKERFCRFSA-N	1	0	438.616	3.406	50	0		IGAARO
CCc1c(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cnn1-c1ccc(F)cc1	ZINC000072306650	556558007	/nfs/dbraw/zinc/55/80/07/556558007.db2.gz	HFTZRDOIDMWERN-UHFFFAOYSA-N	1	0	436.531	3.461	50	0		IGAARO
Cc1cc(N2CCC(C(=O)NCC[NH+](C)C)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1	ZINC000033274942	556559437	/nfs/dbraw/zinc/55/94/37/556559437.db2.gz	BTFRIBXAAOCBKI-UHFFFAOYSA-N	1	0	440.979	3.252	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015999233	556572375	/nfs/dbraw/zinc/57/23/75/556572375.db2.gz	ZNIAEOAOTYSHDY-UAKAABGRSA-N	1	0	435.911	3.388	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015999222	556572444	/nfs/dbraw/zinc/57/24/44/556572444.db2.gz	SPGLMFFCGIPHHR-VKDGWMQASA-N	1	0	435.911	3.186	50	0		IGAARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000016259283	556594885	/nfs/dbraw/zinc/59/48/85/556594885.db2.gz	NGDMDTQGJGNVRW-HXUWFJFHSA-N	1	0	447.626	3.102	50	0		IGAARO
Cc1nc2ccccc2n(CC(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=O	ZINC000032974625	556595822	/nfs/dbraw/zinc/59/58/22/556595822.db2.gz	HPWRGHXSPQLEIJ-UHFFFAOYSA-N	1	0	438.959	3.387	50	0		IGAARO
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+](C)C(C)C)CC2)c1C	ZINC000032914596	556607776	/nfs/dbraw/zinc/60/77/76/556607776.db2.gz	IPTFMICHPLHPEB-UHFFFAOYSA-N	1	0	437.650	3.167	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1	ZINC000409413603	556640760	/nfs/dbraw/zinc/64/07/60/556640760.db2.gz	CNERGUVGRNBIAY-FCEUIQTBSA-N	1	0	440.588	3.348	50	0		IGAARO
Cc1nc2ccccc2n(CCC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c1=O	ZINC000033005364	556655109	/nfs/dbraw/zinc/65/51/09/556655109.db2.gz	DNWAVZZJGXKDBU-UHFFFAOYSA-N	1	0	436.531	3.263	50	0		IGAARO
Cc1nc2cc(C(=O)N3CCC([NH+]4CCC(C(=O)NC5CC5)CC4)CC3)ccc2s1	ZINC000011815328	556658100	/nfs/dbraw/zinc/65/81/00/556658100.db2.gz	VAXMNWDVARKYGK-UHFFFAOYSA-N	1	0	426.586	3.200	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1	ZINC000033018524	556665555	/nfs/dbraw/zinc/66/55/55/556665555.db2.gz	CKLNQVCFLAETDH-UHFFFAOYSA-N	1	0	443.551	3.303	50	0		IGAARO
COc1ccc(Br)cc1S(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C	ZINC000032929515	556671996	/nfs/dbraw/zinc/67/19/96/556671996.db2.gz	HETZBOHIOHBPHH-UHFFFAOYSA-N	1	0	441.391	3.253	50	0		IGAARO
Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1	ZINC000032936022	556678445	/nfs/dbraw/zinc/67/84/45/556678445.db2.gz	ZURKLIWVEOVJQW-GOSISDBHSA-N	1	0	441.597	3.100	50	0		IGAARO
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCC[NH+](C)C	ZINC000046006243	556690450	/nfs/dbraw/zinc/69/04/50/556690450.db2.gz	KDZYUMOCQWDWGY-UHFFFAOYSA-N	1	0	427.524	3.186	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1	ZINC000033025976	556702016	/nfs/dbraw/zinc/70/20/16/556702016.db2.gz	GFCANUOJVZKWSG-OAQYLSRUSA-N	1	0	429.948	3.422	50	0		IGAARO
CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1	ZINC000033033961	556715554	/nfs/dbraw/zinc/71/55/54/556715554.db2.gz	YPWNFRHWJJKGBQ-SFHVURJKSA-N	1	0	444.601	3.042	50	0		IGAARO
O=C(C1CCOCC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055071632	556733488	/nfs/dbraw/zinc/73/34/88/556733488.db2.gz	VMHDJWZWMZIMSY-HXUWFJFHSA-N	1	0	425.495	3.245	50	0		IGAARO
COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000055199663	556737720	/nfs/dbraw/zinc/73/77/20/556737720.db2.gz	VVODPJIQXKIEOV-NRFANRHFSA-N	1	0	426.561	3.055	50	0		IGAARO
CCOc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CC[N@H+](CC)C2	ZINC000062007141	556765478	/nfs/dbraw/zinc/76/54/78/556765478.db2.gz	OPSPMXNDKVIZDU-UHFFFAOYSA-N	1	0	432.524	3.326	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)CC1	ZINC000058316718	556780640	/nfs/dbraw/zinc/78/06/40/556780640.db2.gz	BHZBEPHUPGMJHI-INIZCTEOSA-N	1	0	448.564	3.254	50	0		IGAARO
COc1ccc(CNC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1OC	ZINC000058549636	556789991	/nfs/dbraw/zinc/78/99/91/556789991.db2.gz	QDPONXQZNDJSPB-SFHVURJKSA-N	1	0	429.536	3.056	50	0		IGAARO
Fc1ccccc1-c1nnc2ccc(NCCN3CC[NH+](Cc4ccccc4)CC3)nn21	ZINC000060031308	556806009	/nfs/dbraw/zinc/80/60/09/556806009.db2.gz	ZHYOZAHURHYFAH-UHFFFAOYSA-N	1	0	431.519	3.160	50	0		IGAARO
COc1ccc(CCNC(=O)[C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1	ZINC000060036548	556806025	/nfs/dbraw/zinc/80/60/25/556806025.db2.gz	HVDSWFPCTHODPI-FQEVSTJZSA-N	1	0	436.600	3.387	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)s2)cc1	ZINC000033062078	556817852	/nfs/dbraw/zinc/81/78/52/556817852.db2.gz	ULUHHKYRABCAKB-QGZVFWFLSA-N	1	0	429.590	3.270	50	0		IGAARO
C[C@@H](C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1)N1c2ccccc2CCCC1=O	ZINC000033249671	556889471	/nfs/dbraw/zinc/88/94/71/556889471.db2.gz	HJLNELYEIAFHSF-NRFANRHFSA-N	1	0	440.632	3.201	50	0		IGAARO
CC[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2OC)CC1	ZINC000019796761	556916247	/nfs/dbraw/zinc/91/62/47/556916247.db2.gz	ANFZZRFFPNAWOP-JOCHJYFZSA-N	1	0	434.540	3.459	50	0		IGAARO
O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1)N1CCCCC1	ZINC000019837677	556928384	/nfs/dbraw/zinc/92/83/84/556928384.db2.gz	QYKCZGPVNAMWDZ-IBGZPJMESA-N	1	0	445.633	3.099	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1	ZINC000023086548	556997386	/nfs/dbraw/zinc/99/73/86/556997386.db2.gz	NQTFBWDZNMYESY-DEOSSOPVSA-N	1	0	436.531	3.172	50	0		IGAARO
Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccccc3NC(=O)NC(C)C)CC2)c1	ZINC000072008495	557019764	/nfs/dbraw/zinc/01/97/64/557019764.db2.gz	PSZQPIWLGHIAFJ-UHFFFAOYSA-N	1	0	437.588	3.467	50	0		IGAARO
C[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O	ZINC000022919717	557046635	/nfs/dbraw/zinc/04/66/35/557046635.db2.gz	AJSBHIOHEIHDTC-AREMUKBSSA-N	1	0	428.536	3.382	50	0		IGAARO
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1	ZINC000048353832	557072384	/nfs/dbraw/zinc/07/23/84/557072384.db2.gz	QNVGDCPULBGWFK-KRWDZBQOSA-N	1	0	426.948	3.474	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1	ZINC000004760141	557090416	/nfs/dbraw/zinc/09/04/16/557090416.db2.gz	NEIRDXPFMZLWKS-LEWJYISDSA-N	1	0	445.585	3.134	50	0		IGAARO
COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)CC[N@H+](C)C2	ZINC000049400655	557096351	/nfs/dbraw/zinc/09/63/51/557096351.db2.gz	QLLKAGCZVFDJEW-UHFFFAOYSA-N	1	0	438.915	3.199	50	0		IGAARO
c1cnc(N2CC[NH+](CCCNc3nc(-c4cccnc4)nc4ccccc43)CC2)nc1	ZINC000023888298	557123798	/nfs/dbraw/zinc/12/37/98/557123798.db2.gz	FKOOLHSRNRKCJE-UHFFFAOYSA-N	1	0	426.528	3.106	50	0		IGAARO
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000247767341	557214994	/nfs/dbraw/zinc/21/49/94/557214994.db2.gz	LRMJWZKLLYOWBP-MBOZVWFJSA-N	1	0	431.964	3.158	50	0		IGAARO
CC(C)[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000025918540	557230309	/nfs/dbraw/zinc/23/03/09/557230309.db2.gz	QYGRKIKEBYZCOC-DEOSSOPVSA-N	1	0	435.568	3.391	50	0		IGAARO
C[NH+]1CCN(Cc2ccc(CNC(=O)/C=C/c3cc(Cl)c4c(c3)OCCO4)cc2)CC1	ZINC000032932410	557318432	/nfs/dbraw/zinc/31/84/32/557318432.db2.gz	KOVORFIPAGYBHS-VOTSOKGWSA-N	1	0	441.959	3.188	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1	ZINC000033168863	557326365	/nfs/dbraw/zinc/32/63/65/557326365.db2.gz	RGWGLUAZRMQFIV-IBGZPJMESA-N	1	0	425.602	3.446	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)cnc2c1	ZINC000033301634	557331328	/nfs/dbraw/zinc/33/13/28/557331328.db2.gz	VMVZMCGLAVBARG-UHFFFAOYSA-N	1	0	431.606	3.115	50	0		IGAARO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)C1	ZINC000103732359	557440952	/nfs/dbraw/zinc/44/09/52/557440952.db2.gz	QXCWTGWPKGMWST-YYDVJCTNSA-N	1	0	436.556	3.033	50	0		IGAARO
O=C(Nc1ccccc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000575317201	557462776	/nfs/dbraw/zinc/46/27/76/557462776.db2.gz	WGMVBHIIPFFYOF-JOCHJYFZSA-N	1	0	435.572	3.449	50	0		IGAARO
CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4ccc5ccccc5n4)CC3)C2)CC1	ZINC000575316565	557462791	/nfs/dbraw/zinc/46/27/91/557462791.db2.gz	AIEPSNQNKFODOW-QFIPXVFZSA-N	1	0	436.600	3.415	50	0		IGAARO
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1	ZINC000105101393	557476013	/nfs/dbraw/zinc/47/60/13/557476013.db2.gz	BNIPEAZRNUJVST-OYDLWJJNSA-N	1	0	435.568	3.214	50	0		IGAARO
COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)cc2)CN1C1CC[NH+](CCc2ccccc2)CC1	ZINC000012034416	557524743	/nfs/dbraw/zinc/52/47/43/557524743.db2.gz	ZPCWPQDUIAJXDV-ZCYQVOJMSA-N	1	0	449.595	3.048	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000106535908	557529789	/nfs/dbraw/zinc/52/97/89/557529789.db2.gz	DTKIXLBQVYIXOU-YDLHNXBPSA-N	1	0	435.911	3.388	50	0		IGAARO
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCCO)cc21	ZINC000003628251	562936911	/nfs/dbraw/zinc/93/69/11/562936911.db2.gz	GWWHJNIXGANOLJ-FQEVSTJZSA-N	1	0	440.540	3.136	50	0		IGAARO
CCC[NH+](CCC)CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000004003602	562940645	/nfs/dbraw/zinc/94/06/45/562940645.db2.gz	KUOXNWOMODGYTN-QFIPXVFZSA-N	1	0	425.577	3.032	50	0		IGAARO
C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C2=O	ZINC000004167164	562942479	/nfs/dbraw/zinc/94/24/79/562942479.db2.gz	RNIRNQSBSOEUSI-YTZAWJCFSA-N	1	0	444.576	3.060	50	0		IGAARO
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000012975177	562983771	/nfs/dbraw/zinc/98/37/71/562983771.db2.gz	AGQDDNGWZDVEGG-SJORKVTESA-N	1	0	435.615	3.027	50	0		IGAARO
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000012975175	562983775	/nfs/dbraw/zinc/98/37/75/562983775.db2.gz	AGQDDNGWZDVEGG-IAGOWNOFSA-N	1	0	435.615	3.027	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)CC1	ZINC000020286344	563024386	/nfs/dbraw/zinc/02/43/86/563024386.db2.gz	BQJBVELWGBZEOM-UHFFFAOYSA-N	1	0	440.613	3.384	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)CC1	ZINC000020383877	563024650	/nfs/dbraw/zinc/02/46/50/563024650.db2.gz	ODZGGFVEAUYXIB-HXUWFJFHSA-N	1	0	443.661	3.273	50	0		IGAARO
COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)nc3ccccc32)cc1	ZINC000247913362	568632691	/nfs/dbraw/zinc/63/26/91/568632691.db2.gz	VGPWXIJPANZBQQ-OAQYLSRUSA-N	1	0	448.567	3.164	50	0		IGAARO
O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cn2c(n1)SCC2	ZINC000299774242	568756857	/nfs/dbraw/zinc/75/68/57/568756857.db2.gz	FIXLWWRQOMHRIU-HNNXBMFYSA-N	1	0	434.949	3.042	50	0		IGAARO
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cnc3ccccc3c1)CC2	ZINC000299784215	568757178	/nfs/dbraw/zinc/75/71/78/568757178.db2.gz	WWZAYDRWKSSUOT-LJQANCHMSA-N	1	0	429.524	3.481	50	0		IGAARO
CC[N@H+](CCN(C)C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c32)C1	ZINC000299784265	568757352	/nfs/dbraw/zinc/75/73/52/568757352.db2.gz	JHFMCYOYGMZZDU-GOSISDBHSA-N	1	0	440.613	3.256	50	0		IGAARO
Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)C3CC[NH+](C)CC3)cc2)cs1	ZINC000299790972	568757700	/nfs/dbraw/zinc/75/77/00/568757700.db2.gz	CGYFDQXJVRWNCA-UHFFFAOYSA-N	1	0	430.618	3.263	50	0		IGAARO
Cn1cc(CC[N@H+](C)[C@H]2CCc3c(sc4ncn(Cc5ccccc5)c(=O)c34)C2)cn1	ZINC000299796580	568757969	/nfs/dbraw/zinc/75/79/69/568757969.db2.gz	OVNHWZTUIRLKMI-IBGZPJMESA-N	1	0	433.581	3.272	50	0		IGAARO
Cc1c(CCOC(=O)C2C3CC4CC(C3)CC2C4)sc[n+]1Cc1cnc(C)nc1N	ZINC000001497913	568827851	/nfs/dbraw/zinc/82/78/51/568827851.db2.gz	BBGVOZVJSIPVNI-UHFFFAOYSA-N	1	0	427.594	3.231	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000583652763	568837764	/nfs/dbraw/zinc/83/77/64/568837764.db2.gz	YTSZHHLZYOSNQG-RBZQAINGSA-N	1	0	441.616	3.165	50	0		IGAARO
CCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000006264309	568881229	/nfs/dbraw/zinc/88/12/29/568881229.db2.gz	MSJJTVWAATYDKJ-OUOWLKGYSA-N	1	0	434.577	3.297	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC2	ZINC000241160545	568912203	/nfs/dbraw/zinc/91/22/03/568912203.db2.gz	JYCNNEDJSSRMJR-BKSPAHHJSA-N	1	0	427.541	3.208	50	0		IGAARO
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]3CCCC[C@@H]32)c(Cl)cc1Cl	ZINC000247962351	568918754	/nfs/dbraw/zinc/91/87/54/568918754.db2.gz	RCTJTKDCQITONR-OAUYIBNBSA-N	1	0	448.416	3.236	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)c(C)c1	ZINC000035780075	568922506	/nfs/dbraw/zinc/92/25/06/568922506.db2.gz	FQPVHJWXXAOSHV-KKPNIWNPSA-N	1	0	429.520	3.351	50	0		IGAARO
CCCC(=O)OC[C@@H](O)C[NH2+][C@H](c1nc(-c2ccc(Br)cc2)no1)C(C)C	ZINC000036155075	568964701	/nfs/dbraw/zinc/96/47/01/568964701.db2.gz	ZSVZIEADNQEUKD-RDJZCZTQSA-N	1	0	440.338	3.490	50	0		IGAARO
CC1(C)Cc2sc3c(c2CO1)n(CC[NH+]1CCCC1)c(=O)n(-c1ccccc1)c3=O	ZINC000006759302	568977761	/nfs/dbraw/zinc/97/77/61/568977761.db2.gz	LYIPNOFFIZSWME-UHFFFAOYSA-N	1	0	425.554	3.161	50	0		IGAARO
COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](C)O)CC2CC2)c1	ZINC000036309317	568995854	/nfs/dbraw/zinc/99/58/54/568995854.db2.gz	IYKFUFJACGNUFC-JTSKRJEESA-N	1	0	444.597	3.354	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(OC)ccc2OC)CC1	ZINC000036344327	569080115	/nfs/dbraw/zinc/08/01/15/569080115.db2.gz	YBPKGKBVGWPEEV-QHCPKHFHSA-N	1	0	436.556	3.019	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1	ZINC000065023596	569089372	/nfs/dbraw/zinc/08/93/72/569089372.db2.gz	KWOXWHVKAVSGOJ-FQEVSTJZSA-N	1	0	425.552	3.491	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1	ZINC000006875634	569095108	/nfs/dbraw/zinc/09/51/08/569095108.db2.gz	HHBVCLWENYPSNR-RTWAWAEBSA-N	1	0	429.586	3.133	50	0		IGAARO
C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000036394354	569098892	/nfs/dbraw/zinc/09/88/92/569098892.db2.gz	LLIRIZDBEXDFMU-OXQOHEQNSA-N	1	0	444.373	3.348	50	0		IGAARO
CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCCC2)cc1	ZINC000065074876	569099272	/nfs/dbraw/zinc/09/92/72/569099272.db2.gz	JCDMUWVBZDTGKS-UHFFFAOYSA-N	1	0	432.634	3.086	50	0		IGAARO
Cn1cc(CC[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c2cccnc21	ZINC000065164915	569112918	/nfs/dbraw/zinc/11/29/18/569112918.db2.gz	UXHBZUWLTFJECW-UHFFFAOYSA-N	1	0	449.574	3.316	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O	ZINC000065172608	569113266	/nfs/dbraw/zinc/11/32/66/569113266.db2.gz	SYEWYIOYCLUIOH-UHFFFAOYSA-N	1	0	437.588	3.431	50	0		IGAARO
Cn1c(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)nc2ccccc21	ZINC000065256017	569123136	/nfs/dbraw/zinc/12/31/36/569123136.db2.gz	IOPUUFGLFFMLBG-NRFANRHFSA-N	1	0	426.524	3.049	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000251920483	569170173	/nfs/dbraw/zinc/17/01/73/569170173.db2.gz	AMZNLDQBZRCRRJ-FUSMBFRDSA-N	1	0	429.520	3.297	50	0		IGAARO
O=C(CCCNC(=O)NC1CCCCC1)NC1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000170636121	569177718	/nfs/dbraw/zinc/17/77/18/569177718.db2.gz	UWBGFNIVUWMCMK-UHFFFAOYSA-N	1	0	440.592	3.056	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000002093339	569178976	/nfs/dbraw/zinc/17/89/76/569178976.db2.gz	DLPGSFRECXFFPX-DSSCTYRESA-N	1	0	428.548	3.233	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000002119360	569182785	/nfs/dbraw/zinc/18/27/85/569182785.db2.gz	CCINPNZGQSKDQW-FICZKHPKSA-N	1	0	428.548	3.233	50	0		IGAARO
C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000252444013	569183839	/nfs/dbraw/zinc/18/38/39/569183839.db2.gz	PHCBHOTWWSPYPF-BBRMVZONSA-N	1	0	441.553	3.271	50	0		IGAARO
COc1cc(C[NH2+]CCCCCc2nc(-c3cccs3)no2)ccc1OCC(N)=O	ZINC000013109877	569310387	/nfs/dbraw/zinc/31/03/87/569310387.db2.gz	QYSSHEWXVPXFAX-UHFFFAOYSA-N	1	0	430.530	3.173	50	0		IGAARO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000078702847	569318262	/nfs/dbraw/zinc/31/82/62/569318262.db2.gz	PDZQTMFSTRKONL-QFIPXVFZSA-N	1	0	449.661	3.059	50	0		IGAARO
O[C@@H](C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1)[C@H]1CCCO1	ZINC000079076712	569324735	/nfs/dbraw/zinc/32/47/35/569324735.db2.gz	GLLOHZQSJYBFEF-RBUKOAKNSA-N	1	0	428.533	3.159	50	0		IGAARO
CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000095995535	569378617	/nfs/dbraw/zinc/37/86/17/569378617.db2.gz	PIAUIOSBDHZARI-QUCCMNQESA-N	1	0	437.606	3.254	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1	ZINC000096386413	569398573	/nfs/dbraw/zinc/39/85/73/569398573.db2.gz	MQJMPCGPQMHFLX-UHFFFAOYSA-N	1	0	431.581	3.215	50	0		IGAARO
C[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000097165342	569403364	/nfs/dbraw/zinc/40/33/64/569403364.db2.gz	WMJZCDDBJQMZJG-LEWJYISDSA-N	1	0	436.641	3.042	50	0		IGAARO
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3[nH]nnc3-c3ccc(F)cc3)CC2)c1	ZINC000225585239	569404939	/nfs/dbraw/zinc/40/49/39/569404939.db2.gz	ZEKWAADSQVSLCS-UHFFFAOYSA-N	1	0	436.535	3.170	50	0		IGAARO
Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)n21	ZINC000002947738	569427062	/nfs/dbraw/zinc/42/70/62/569427062.db2.gz	FSHOHAUMKWHXBY-UHFFFAOYSA-N	1	0	445.567	3.375	50	0		IGAARO
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000056939978	569427767	/nfs/dbraw/zinc/42/77/67/569427767.db2.gz	RAVLKXNVHHNKLL-UHFFFAOYSA-N	1	0	432.524	3.040	50	0		IGAARO
C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(-n2cncn2)nc1	ZINC000058014375	569444943	/nfs/dbraw/zinc/44/49/43/569444943.db2.gz	VDFXIPHTDKRJMN-UHFFFAOYSA-N	1	0	444.337	3.021	50	0		IGAARO
O=C(CC1CC[NH+](Cc2ccccc2)CC1)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2	ZINC000670447580	569454298	/nfs/dbraw/zinc/45/42/98/569454298.db2.gz	BGFJKYHOMKTXFQ-QHSWPGFUSA-N	1	0	434.588	3.140	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCC[NH+](C)C)nn1-c1ccc(Cl)cc1)C2	ZINC000031813399	569457809	/nfs/dbraw/zinc/45/78/09/569457809.db2.gz	BFZSLELTXANSBV-UHFFFAOYSA-N	1	0	440.931	3.406	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1OC	ZINC000008893588	569483589	/nfs/dbraw/zinc/48/35/89/569483589.db2.gz	IWOMZFVAXYUPJP-SFHVURJKSA-N	1	0	431.558	3.437	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C	ZINC000008965358	569491460	/nfs/dbraw/zinc/49/14/60/569491460.db2.gz	BDEPHDSYFLRRLD-NRFANRHFSA-N	1	0	435.572	3.185	50	0		IGAARO
Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c2ccccc2n1C	ZINC000009096583	569501441	/nfs/dbraw/zinc/50/14/41/569501441.db2.gz	VBUCKBCVJHIMGL-RUZDIDTESA-N	1	0	430.552	3.244	50	0		IGAARO
CCCn1c2ccccc2c2cnn(CC(=O)N(CC[NH+](C)C)Cc3ccccc3)c(=O)c21	ZINC000009153426	569508052	/nfs/dbraw/zinc/50/80/52/569508052.db2.gz	GWQQGIYSIOLKBW-UHFFFAOYSA-N	1	0	445.567	3.352	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000009302767	569520874	/nfs/dbraw/zinc/52/08/74/569520874.db2.gz	NRVYVQKGWHDFGW-VWXURSGXSA-N	1	0	448.361	3.016	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009332097	569523119	/nfs/dbraw/zinc/52/31/19/569523119.db2.gz	KAGCDJKHLXHNNM-ZHNFZGJGSA-N	1	0	435.911	3.388	50	0		IGAARO
NS(=O)(=O)c1ccc(CNC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)cc1	ZINC000069966945	569525866	/nfs/dbraw/zinc/52/58/66/569525866.db2.gz	RLZLVCWVCVUITI-UHFFFAOYSA-N	1	0	435.977	3.053	50	0		IGAARO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1	ZINC000009412641	569531575	/nfs/dbraw/zinc/53/15/75/569531575.db2.gz	BSVNYVXPOWHMOM-UHFFFAOYSA-N	1	0	447.988	3.307	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000009429640	569533667	/nfs/dbraw/zinc/53/36/67/569533667.db2.gz	FKANVUAATCYCSN-NRULZZDXSA-N	1	0	448.361	3.014	50	0		IGAARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009579777	569548577	/nfs/dbraw/zinc/54/85/77/569548577.db2.gz	NSEAJHGMFOSBGQ-UHFFFAOYSA-N	1	0	441.597	3.387	50	0		IGAARO
COCC[N@H+](CCNc1nc2ccccc2c2nc(-c3cccnc3)nn21)Cc1ccco1	ZINC000009831156	569570230	/nfs/dbraw/zinc/57/02/30/569570230.db2.gz	PTRZYGHOVQPKDQ-UHFFFAOYSA-N	1	0	443.511	3.493	50	0		IGAARO
COc1cccc(NC(=O)COc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)c1	ZINC000010086832	569577712	/nfs/dbraw/zinc/57/77/12/569577712.db2.gz	VOHVGRJBBVCMOZ-UHFFFAOYSA-N	1	0	425.529	3.319	50	0		IGAARO
CC(C)c1cnn2c1nc(O[C@H]1CCC[NH2+]C1)nc2NCc1ccccc1-n1cccn1	ZINC000214266418	569587227	/nfs/dbraw/zinc/58/72/27/569587227.db2.gz	LSGRZENCFIIHNV-SFHVURJKSA-N	1	0	432.532	3.176	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009153021	132306973	/nfs/dbraw/zinc/30/69/73/132306973.db2.gz	NDJDXIHWNPOWSM-LJQANCHMSA-N	1	0	441.624	3.007	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1	ZINC000009211250	132309120	/nfs/dbraw/zinc/30/91/20/132309120.db2.gz	BRAKFMHKLOKVEA-UHFFFAOYSA-N	1	0	441.624	3.007	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c(C)c2)CC1	ZINC000009223542	132309643	/nfs/dbraw/zinc/30/96/43/132309643.db2.gz	CMQRYJZZXWQQNN-QFIPXVFZSA-N	1	0	434.584	3.167	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1C	ZINC000011698020	132339276	/nfs/dbraw/zinc/33/92/76/132339276.db2.gz	CMJJJMAYKFBGGL-UHFFFAOYSA-N	1	0	438.557	3.051	50	0		IGAARO
CC(=O)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1	ZINC000020535812	519512250	/nfs/dbraw/zinc/51/22/50/519512250.db2.gz	MYAXDORBQOCXLD-JOCHJYFZSA-N	1	0	438.538	3.303	50	0		IGAARO
CC(C)[NH+]1CCC(NC(=O)[C@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1	ZINC000012780742	519671911	/nfs/dbraw/zinc/67/19/11/519671911.db2.gz	KSOQKHIDQBABDC-AWEZNQCLSA-N	1	0	448.658	3.474	50	0		IGAARO
CC(C)CS(=O)(=O)c1ncc(CN(C)CCC[NH+]2CCCC2)n1Cc1ccccc1	ZINC000012305023	519767579	/nfs/dbraw/zinc/76/75/79/519767579.db2.gz	JDWSWHUOKOJVOR-UHFFFAOYSA-N	1	0	432.634	3.279	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000020519347	519806728	/nfs/dbraw/zinc/80/67/28/519806728.db2.gz	CERVQWSURWLYBL-DWKCODDLSA-N	1	0	441.890	3.056	50	0		IGAARO
CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC	ZINC000012218938	520638722	/nfs/dbraw/zinc/63/87/22/520638722.db2.gz	IZESJZMFJBFVLZ-UHFFFAOYSA-N	1	0	442.589	3.259	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccnn2C2CCCC2)cc1	ZINC000057383169	520810116	/nfs/dbraw/zinc/81/01/16/520810116.db2.gz	AHTOKNWXUNHWKG-QGZVFWFLSA-N	1	0	447.605	3.318	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(OC)c1	ZINC000012741597	520831519	/nfs/dbraw/zinc/83/15/19/520831519.db2.gz	GIMYSGFZQDCDAF-IBGZPJMESA-N	1	0	428.558	3.056	50	0		IGAARO
CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1	ZINC000035421870	520863446	/nfs/dbraw/zinc/86/34/46/520863446.db2.gz	QNTYODYSERVRCY-UHFFFAOYSA-N	1	0	441.547	3.469	50	0		IGAARO
CC1CCC2(CC1)OC[C@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccc(C(F)(F)F)cc1	ZINC000035981527	520966710	/nfs/dbraw/zinc/96/67/10/520966710.db2.gz	AZJKQTLQRCUVBV-BPVAQJAMSA-N	1	0	441.494	3.131	50	0		IGAARO
CC[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)CC1	ZINC000020622382	521683471	/nfs/dbraw/zinc/68/34/71/521683471.db2.gz	QBIRRTVQGHJQBI-UHFFFAOYSA-N	1	0	438.524	3.494	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1	ZINC000020737319	521684190	/nfs/dbraw/zinc/68/41/90/521684190.db2.gz	QSSNJGSMXSIXKJ-JWGURIENSA-N	1	0	436.581	3.139	50	0		IGAARO
CCN1C[C@@H](CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1=O	ZINC000012612250	521727577	/nfs/dbraw/zinc/72/75/77/521727577.db2.gz	KKWVWDGAQVCNNS-JOCHJYFZSA-N	1	0	449.595	3.371	50	0		IGAARO
COc1cc(-c2ccno2)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000035453154	521897658	/nfs/dbraw/zinc/89/76/58/521897658.db2.gz	OUBYMWPKOHDINO-UHFFFAOYSA-N	1	0	427.526	3.293	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(OC)c(OC)c2)cc1	ZINC000012450544	522031638	/nfs/dbraw/zinc/03/16/38/522031638.db2.gz	RCJOUXKXCPKVDO-FQEVSTJZSA-N	1	0	426.513	3.161	50	0		IGAARO
Cn1ncc2c3ccccc3n(CCCC(=O)NCCC[N@H+](C)C3CCCCC3)c2c1=O	ZINC000035372399	522757491	/nfs/dbraw/zinc/75/74/91/522757491.db2.gz	GRDGWNCINLTWCR-UHFFFAOYSA-N	1	0	437.588	3.439	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)cc1	ZINC000020783845	523704698	/nfs/dbraw/zinc/70/46/98/523704698.db2.gz	UNEGDNKOAICFCG-UHFFFAOYSA-N	1	0	447.583	3.441	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3csc(-c4cccs4)n3)cn2)CC1	ZINC000069534319	523811816	/nfs/dbraw/zinc/81/18/16/523811816.db2.gz	HNFWUJQYJFHZMY-UHFFFAOYSA-N	1	0	427.599	3.267	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cn2)CC1	ZINC000058184255	523813393	/nfs/dbraw/zinc/81/33/93/523813393.db2.gz	WFHDTMCAGWWAFP-UHFFFAOYSA-N	1	0	434.584	3.382	50	0		IGAARO
C[NH+](C)C1(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CCCCC1	ZINC000011817817	524037289	/nfs/dbraw/zinc/03/72/89/524037289.db2.gz	UVDAECOCICSVDG-UHFFFAOYSA-N	1	0	427.589	3.461	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC000012191064	524039982	/nfs/dbraw/zinc/03/99/82/524039982.db2.gz	NICSADFYWDWIQD-IBGZPJMESA-N	1	0	433.556	3.155	50	0		IGAARO
Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	ZINC000020999023	524102839	/nfs/dbraw/zinc/10/28/39/524102839.db2.gz	JGKJTVDNHIBIOP-HSZRJFAPSA-N	1	0	432.572	3.475	50	0		IGAARO
Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCC[NH+](C)C)CC(C)C)no2)c(C)c1	ZINC000036015869	524209682	/nfs/dbraw/zinc/20/96/82/524209682.db2.gz	SRMZRJKUKZWAAD-UHFFFAOYSA-N	1	0	428.577	3.433	50	0		IGAARO
Cc1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1	ZINC000021888149	524471857	/nfs/dbraw/zinc/47/18/57/524471857.db2.gz	GYPNCEYIVUCFIR-LJQANCHMSA-N	1	0	427.570	3.070	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1	ZINC000020450835	524476693	/nfs/dbraw/zinc/47/66/93/524476693.db2.gz	LESRLQHBCTUQIP-CQSZACIVSA-N	1	0	431.512	3.476	50	0		IGAARO
COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1	ZINC000012112142	524662467	/nfs/dbraw/zinc/66/24/67/524662467.db2.gz	PQWLPAAZSBRIKI-OAQYLSRUSA-N	1	0	434.540	3.288	50	0		IGAARO
C[C@H]1Cc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CCC1	ZINC000021871139	524982340	/nfs/dbraw/zinc/98/23/40/524982340.db2.gz	XQJYGLDILUBLJV-MSOLQXFVSA-N	1	0	433.618	3.165	50	0		IGAARO
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCSc2nnnn2C)cc1	ZINC000040744844	525068932	/nfs/dbraw/zinc/06/89/32/525068932.db2.gz	ICSQSGOIXCEOQH-UHFFFAOYSA-N	1	0	446.964	3.071	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCC(=O)N(C)C)CC1	ZINC000011938481	525138311	/nfs/dbraw/zinc/13/83/11/525138311.db2.gz	XVBIPETWKQEEHR-UHFFFAOYSA-N	1	0	436.600	3.499	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1	ZINC000022794433	525359339	/nfs/dbraw/zinc/35/93/39/525359339.db2.gz	HJZOKZFUBVBMFU-FQEVSTJZSA-N	1	0	432.362	3.176	50	0		IGAARO
COc1cccc(CN(C(=O)C[NH+]2CCC(C(N)=O)CC2)C23CC4CC(CC(C4)C2)C3)c1	ZINC000024166524	525905449	/nfs/dbraw/zinc/90/54/49/525905449.db2.gz	WWWGZTAONXGIPW-UHFFFAOYSA-N	1	0	439.600	3.190	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2-n2cccc2SCC1=O	ZINC000021088691	526247671	/nfs/dbraw/zinc/24/76/71/526247671.db2.gz	QVZCIQQSKLIKLV-SFHVURJKSA-N	1	0	426.586	3.297	50	0		IGAARO
Cc1nn(CCCC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3occc3n21	ZINC000020866582	526279308	/nfs/dbraw/zinc/27/93/08/526279308.db2.gz	XDOBVMVSRVUDCF-CALCHBBNSA-N	1	0	427.549	3.100	50	0		IGAARO
O=C([C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCC([NH+]2CCCCC2)CC1	ZINC000015728067	526471459	/nfs/dbraw/zinc/47/14/59/526471459.db2.gz	PZMFAECGGKCWAN-GOSISDBHSA-N	1	0	428.606	3.022	50	0		IGAARO
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1	ZINC000035422103	526475236	/nfs/dbraw/zinc/47/52/36/526475236.db2.gz	AETFZROFFMNEEI-UHFFFAOYSA-N	1	0	448.336	3.053	50	0		IGAARO
O=C(CC[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1)N1CCN(c2ccccn2)CC1	ZINC000012387254	526569510	/nfs/dbraw/zinc/56/95/10/526569510.db2.gz	TUWBFEHIEOXSRD-OAQYLSRUSA-N	1	0	444.583	3.366	50	0		IGAARO
O=C(CCn1cccn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012302046	526674485	/nfs/dbraw/zinc/67/44/85/526674485.db2.gz	XEWUVMAUBZJKLF-RUZDIDTESA-N	1	0	436.600	3.160	50	0		IGAARO
O=C(NCc1cccnc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000035870016	526767194	/nfs/dbraw/zinc/76/71/94/526767194.db2.gz	AKMNKAGVPZLBCJ-NOZRDPDXSA-N	1	0	430.527	3.400	50	0		IGAARO
NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1	ZINC000012754044	526964106	/nfs/dbraw/zinc/96/41/06/526964106.db2.gz	KTDSTSAGQOOCJM-JOCHJYFZSA-N	1	0	435.568	3.110	50	0		IGAARO
Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(N2CCCC2)[nH+]1	ZINC000021793652	526964573	/nfs/dbraw/zinc/96/45/73/526964573.db2.gz	XAKFHKAXSLYYCC-UHFFFAOYSA-N	1	0	430.350	3.110	50	0		IGAARO
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000012854908	526971960	/nfs/dbraw/zinc/97/19/60/526971960.db2.gz	SYWCLRUWSWPPID-UHFFFAOYSA-N	1	0	432.520	3.441	50	0		IGAARO
O=C1c2cccc(N3CC[NH+](CCCc4ccccc4)CC3)c2C(=O)N1C[C@H]1CCCO1	ZINC000012727973	527126288	/nfs/dbraw/zinc/12/62/88/527126288.db2.gz	RAYUZAMPKHNJLD-OAQYLSRUSA-N	1	0	433.552	3.216	50	0		IGAARO
Cc1nc2ncccn2c1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012201255	527202409	/nfs/dbraw/zinc/20/24/09/527202409.db2.gz	PWMOZWZTZHSKAY-OAQYLSRUSA-N	1	0	425.577	3.314	50	0		IGAARO
O=C(Cc1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1)NCCc1cccc(F)c1	ZINC000015068977	527234784	/nfs/dbraw/zinc/23/47/84/527234784.db2.gz	MZFXPSADQMRHHY-UHFFFAOYSA-N	1	0	439.575	3.465	50	0		IGAARO
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1	ZINC000020687378	527414249	/nfs/dbraw/zinc/41/42/49/527414249.db2.gz	OZBSFTQHZBBSGJ-UHFFFAOYSA-N	1	0	444.579	3.371	50	0		IGAARO
Cc1ncsc1C(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000012429773	527476248	/nfs/dbraw/zinc/47/62/48/527476248.db2.gz	OBFQXERKYSGGGD-NRFANRHFSA-N	1	0	440.613	3.475	50	0		IGAARO
Cn1nc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccsc1CC2	ZINC000020993153	527543973	/nfs/dbraw/zinc/54/39/73/527543973.db2.gz	MDEJDXAITWSBQJ-UHFFFAOYSA-N	1	0	449.624	3.185	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1	ZINC000035455180	527664683	/nfs/dbraw/zinc/66/46/83/527664683.db2.gz	XXVVCBDRTLKWOV-HXUWFJFHSA-N	1	0	425.552	3.491	50	0		IGAARO
CCn1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)c2ccccc2c1=O	ZINC000009364150	535747159	/nfs/dbraw/zinc/74/71/59/535747159.db2.gz	NNXQVKVCLAYVOK-UHFFFAOYSA-N	1	0	439.947	3.464	50	0		IGAARO
CC[C@H]1CN(C(=O)N2CCC(C(=O)NCC[NH+](CC)CC)CC2)c2cc(C)ccc2O1	ZINC000006846979	536116708	/nfs/dbraw/zinc/11/67/08/536116708.db2.gz	OSDGXYSXFKRFAK-FQEVSTJZSA-N	1	0	430.593	3.262	50	0		IGAARO
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000000860338	555571985	/nfs/dbraw/zinc/57/19/85/555571985.db2.gz	WSRYGRQHDAVZTL-UHFFFAOYSA-N	1	0	434.005	3.311	50	0		IGAARO
CCN1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)cc2)CC1	ZINC000034684571	555820115	/nfs/dbraw/zinc/82/01/15/555820115.db2.gz	JWPFTSSUVKJLRY-UHFFFAOYSA-N	1	0	426.992	3.440	50	0		IGAARO
CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COC	ZINC000034832039	555912632	/nfs/dbraw/zinc/91/26/32/555912632.db2.gz	IQMBLIPARNVNHU-GOSISDBHSA-N	1	0	445.583	3.235	50	0		IGAARO
CC1CCC2(CC1)OC[C@H](C(=O)NCC[NH+]1CCCCC1)N2C(=O)c1ccccc1F	ZINC000034920945	555931486	/nfs/dbraw/zinc/93/14/86/555931486.db2.gz	SUDZIURSWCECGF-RUPGZQMFSA-N	1	0	431.552	3.175	50	0		IGAARO
COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCC[N@H+](C)CC3)CC(C)C)no2)c1	ZINC000034922662	555932876	/nfs/dbraw/zinc/93/28/76/555932876.db2.gz	ZRLSJLLAXFACLW-UHFFFAOYSA-N	1	0	442.560	3.003	50	0		IGAARO
CCNC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000004241280	555978771	/nfs/dbraw/zinc/97/87/71/555978771.db2.gz	GRMBICBPGQHHTR-UHFFFAOYSA-N	1	0	429.586	3.286	50	0		IGAARO
O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000005649695	556061719	/nfs/dbraw/zinc/06/17/19/556061719.db2.gz	WYFUTIOZEFQSMD-UHFFFAOYSA-N	1	0	427.589	3.352	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)[NH+]1CCCC1	ZINC000032736349	556306217	/nfs/dbraw/zinc/30/62/17/556306217.db2.gz	WSZNTHWBNKZDCJ-LJQANCHMSA-N	1	0	425.554	3.087	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)CC1	ZINC000032736352	556306297	/nfs/dbraw/zinc/30/62/97/556306297.db2.gz	RMVWVHKOUNDURC-LJQANCHMSA-N	1	0	440.569	3.003	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)CC1	ZINC000032748013	556316875	/nfs/dbraw/zinc/31/68/75/556316875.db2.gz	IWCSGRZBYLHBIU-LJQANCHMSA-N	1	0	427.570	3.453	50	0		IGAARO
CN(C(=O)CC[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000011662703	556343944	/nfs/dbraw/zinc/34/39/44/556343944.db2.gz	WFURYAAQCULXPC-FQEVSTJZSA-N	1	0	427.589	3.221	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1	ZINC000032795679	556357813	/nfs/dbraw/zinc/35/78/13/556357813.db2.gz	LJZRARKBVAAVBW-QGZVFWFLSA-N	1	0	430.346	3.180	50	0		IGAARO
COc1cc(CN(C)Cc2nc(C)c[nH]2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011819694	556361448	/nfs/dbraw/zinc/36/14/48/556361448.db2.gz	MEFYWGBHMKJJMI-NRFANRHFSA-N	1	0	430.593	3.365	50	0		IGAARO
COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000011874275	556370247	/nfs/dbraw/zinc/37/02/47/556370247.db2.gz	DJJBXROLDKXQLF-QGZVFWFLSA-N	1	0	440.548	3.041	50	0		IGAARO
COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000014198664	556389910	/nfs/dbraw/zinc/38/99/10/556389910.db2.gz	AGBWZSZIOIQSLL-DLBZAZTESA-N	1	0	433.574	3.240	50	0		IGAARO
CCc1c(C(=O)NCCc2ccccc2OC)c(=O)cc(C)n1CC[NH+]1CCCCC1	ZINC000012053256	556393183	/nfs/dbraw/zinc/39/31/83/556393183.db2.gz	NGCKUCLELORDTA-UHFFFAOYSA-N	1	0	425.573	3.186	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC	ZINC000012058014	556394918	/nfs/dbraw/zinc/39/49/18/556394918.db2.gz	PZGWAWRHXVSAEO-FQEVSTJZSA-N	1	0	429.561	3.407	50	0		IGAARO
COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC000012075110	556397276	/nfs/dbraw/zinc/39/72/76/556397276.db2.gz	LYRXNTZKDOGKED-IBGZPJMESA-N	1	0	437.584	3.289	50	0		IGAARO
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000014244983	556404726	/nfs/dbraw/zinc/40/47/26/556404726.db2.gz	KMISERPOZOEVGZ-FQEVSTJZSA-N	1	0	437.993	3.021	50	0		IGAARO
CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCC1)C2	ZINC000014538859	556424662	/nfs/dbraw/zinc/42/46/62/556424662.db2.gz	JKXPYLRRIKJIJM-JOCHJYFZSA-N	1	0	449.643	3.250	50	0		IGAARO
COc1cccc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1	ZINC000014733622	556437733	/nfs/dbraw/zinc/43/77/33/556437733.db2.gz	GCVXVDKLNVCERJ-HXUWFJFHSA-N	1	0	440.588	3.009	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccccc1)CC2	ZINC000014741775	556438995	/nfs/dbraw/zinc/43/89/95/556438995.db2.gz	FZPNSEIUUFIQBQ-UHFFFAOYSA-N	1	0	437.540	3.141	50	0		IGAARO
CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NC[C@@H]2CCCO2)C1	ZINC000014747728	556441843	/nfs/dbraw/zinc/44/18/43/556441843.db2.gz	XWPMPUABPKFBQV-XJUOHMSHSA-N	1	0	427.589	3.003	50	0		IGAARO
Cc1ccc(F)c(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1F	ZINC000014750731	556443284	/nfs/dbraw/zinc/44/32/84/556443284.db2.gz	OPTYKLCKFGBFGQ-QGZVFWFLSA-N	1	0	446.542	3.245	50	0		IGAARO
O=C(CCc1cnccn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014975828	556468363	/nfs/dbraw/zinc/46/83/63/556468363.db2.gz	GZHHYKMUKNZXIZ-AREMUKBSSA-N	1	0	448.611	3.296	50	0		IGAARO
Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1	ZINC000014990253	556474418	/nfs/dbraw/zinc/47/44/18/556474418.db2.gz	PBHAXCZVSVIQAW-JOCHJYFZSA-N	1	0	433.556	3.203	50	0		IGAARO
CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CCN(c2ncccn2)CC1	ZINC000072289639	556484158	/nfs/dbraw/zinc/48/41/58/556484158.db2.gz	DXXNKAWNHOKMNN-QFIPXVFZSA-N	1	0	436.604	3.218	50	0		IGAARO
Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12	ZINC000015072918	556497331	/nfs/dbraw/zinc/49/73/31/556497331.db2.gz	GEDSETPNVXUJFE-HNNXBMFYSA-N	1	0	439.541	3.117	50	0		IGAARO
COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2c(F)ccc(F)c2F)CC1	ZINC000015079176	556500301	/nfs/dbraw/zinc/50/03/01/556500301.db2.gz	OQSZXAGZPHZMSR-QGZVFWFLSA-N	1	0	428.495	3.012	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000030947474	556517429	/nfs/dbraw/zinc/51/74/29/556517429.db2.gz	GVGNZUGAUWFHCX-UHFFFAOYSA-N	1	0	427.570	3.126	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1	ZINC000013624127	556536435	/nfs/dbraw/zinc/53/64/35/556536435.db2.gz	CXJMMZGCVRCONN-SFHVURJKSA-N	1	0	436.508	3.448	50	0		IGAARO
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12	ZINC000016012613	556574217	/nfs/dbraw/zinc/57/42/17/556574217.db2.gz	LYQARSBUUHENRK-DBHNTLKXSA-N	1	0	447.988	3.065	50	0		IGAARO
C[C@@H](NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1)c1ccccc1	ZINC000072311472	556584024	/nfs/dbraw/zinc/58/40/24/556584024.db2.gz	HGKLUDGOBFKHOI-MSOLQXFVSA-N	1	0	431.602	3.432	50	0		IGAARO
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1	ZINC000032970923	556588726	/nfs/dbraw/zinc/58/87/26/556588726.db2.gz	VFLDSQYPHHGVJO-QHCPKHFHSA-N	1	0	442.991	3.414	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)s2)cc1	ZINC000032987817	556608184	/nfs/dbraw/zinc/60/81/84/556608184.db2.gz	UTLSFYWCKNTMKO-INIZCTEOSA-N	1	0	445.589	3.112	50	0		IGAARO
COc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1OC	ZINC000039404961	556628798	/nfs/dbraw/zinc/62/87/98/556628798.db2.gz	LNKMJBYMYOIGDV-JOCHJYFZSA-N	1	0	428.573	3.214	50	0		IGAARO
COc1ccc(S(=O)(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1OC	ZINC000032935832	556678570	/nfs/dbraw/zinc/67/85/70/556678570.db2.gz	DDZNVWTXNJJGLS-QFIPXVFZSA-N	1	0	432.586	3.455	50	0		IGAARO
O=C(CCN(C(=O)c1cccc(Br)c1)C1CCCCCC1)N1CC[NH2+]CC1	ZINC000045966575	556688793	/nfs/dbraw/zinc/68/87/93/556688793.db2.gz	MQLUEACFBAXJBV-UHFFFAOYSA-N	1	0	436.394	3.436	50	0		IGAARO
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2Br)C1	ZINC000032937395	556689702	/nfs/dbraw/zinc/68/97/02/556689702.db2.gz	ARNYFXQTUSQSCI-ZIAGYGMSSA-N	1	0	428.346	3.401	50	0		IGAARO
CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1	ZINC000033033785	556714409	/nfs/dbraw/zinc/71/44/09/556714409.db2.gz	FDFKONBNSRZRQB-UHFFFAOYSA-N	1	0	444.601	3.159	50	0		IGAARO
CCOc1ccccc1CNC(=O)c1sc2ncnc(N3CC[NH+](CC)CC3)c2c1C	ZINC000033048354	556744684	/nfs/dbraw/zinc/74/46/84/556744684.db2.gz	LTSZMYLQWJQSDG-UHFFFAOYSA-N	1	0	439.585	3.470	50	0		IGAARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000010653059	556745191	/nfs/dbraw/zinc/74/51/91/556745191.db2.gz	DHYYMQDCJLMKKK-UHFFFAOYSA-N	1	0	428.558	3.342	50	0		IGAARO
CC(C)C(=O)Nc1nc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cs1	ZINC000058226957	556773749	/nfs/dbraw/zinc/77/37/49/556773749.db2.gz	XHENDGAAICEBGY-UHFFFAOYSA-N	1	0	430.574	3.123	50	0		IGAARO
CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000058897766	556792754	/nfs/dbraw/zinc/79/27/54/556792754.db2.gz	MSFOJYLLQPZHFY-UHFFFAOYSA-N	1	0	434.558	3.047	50	0		IGAARO
C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000003316391	556809906	/nfs/dbraw/zinc/80/99/06/556809906.db2.gz	NXBJCNKFXBTPOZ-UHFFFAOYSA-N	1	0	449.882	3.451	50	0		IGAARO
Cc1ccc([C@@H]2Cn3nnc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3CO2)cc1	ZINC000097943993	556814911	/nfs/dbraw/zinc/81/49/11/556814911.db2.gz	LHBCNBQLEKFPMC-QHCPKHFHSA-N	1	0	431.540	3.252	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000033061722	556817331	/nfs/dbraw/zinc/81/73/31/556817331.db2.gz	LMBBMJHNYLDVLR-UHFFFAOYSA-N	1	0	449.580	3.288	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCCCCC1	ZINC000033061949	556817504	/nfs/dbraw/zinc/81/75/04/556817504.db2.gz	DJZHGEUDZMWBOL-UHFFFAOYSA-N	1	0	433.553	3.244	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCCCCC3)s2)cc1	ZINC000033062057	556817846	/nfs/dbraw/zinc/81/78/46/556817846.db2.gz	RLJIVDXUYUWFFV-UHFFFAOYSA-N	1	0	429.590	3.414	50	0		IGAARO
C[C@H](CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[NH+]1CCCC1	ZINC000033131310	556871667	/nfs/dbraw/zinc/87/16/67/556871667.db2.gz	JSZNEOJETCKKAW-MRXNPFEDSA-N	1	0	427.998	3.119	50	0		IGAARO
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCC[NH+]1CCCCC1	ZINC000033254682	556891052	/nfs/dbraw/zinc/89/10/52/556891052.db2.gz	NWIVSEMXIYZTBR-UHFFFAOYSA-N	1	0	442.025	3.123	50	0		IGAARO
CC(C)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	ZINC000019837914	556928731	/nfs/dbraw/zinc/92/87/31/556928731.db2.gz	IHTGTMUAANJWKQ-UHFFFAOYSA-N	1	0	432.572	3.104	50	0		IGAARO
CC[NH+]1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1	ZINC000020356885	557011051	/nfs/dbraw/zinc/01/10/51/557011051.db2.gz	GMQMHFYHWUMICB-UHFFFAOYSA-N	1	0	431.540	3.219	50	0		IGAARO
COCCC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1	ZINC000082126957	557058913	/nfs/dbraw/zinc/05/89/13/557058913.db2.gz	CLPIBQDTRJRLAR-HSZRJFAPSA-N	1	0	428.621	3.033	50	0		IGAARO
COc1ccccc1[C@@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)[NH+]1CCCC1	ZINC000048331768	557069376	/nfs/dbraw/zinc/06/93/76/557069376.db2.gz	IMTYPCSPZLRXRI-JOCHJYFZSA-N	1	0	447.539	3.259	50	0		IGAARO
CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cc2)CC1	ZINC000048353556	557072937	/nfs/dbraw/zinc/07/29/37/557072937.db2.gz	FBJNCCJYUHBQNR-UHFFFAOYSA-N	1	0	427.593	3.144	50	0		IGAARO
CCc1ccc(C[NH+]2CCC([C@]3(Cc4cccc(OC)c4)NC(=O)N(C)C3=O)CC2)o1	ZINC000014888645	557077409	/nfs/dbraw/zinc/07/74/09/557077409.db2.gz	YDNYLXDSLQHEIH-DEOSSOPVSA-N	1	0	425.529	3.226	50	0		IGAARO
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000023256846	557079444	/nfs/dbraw/zinc/07/94/44/557079444.db2.gz	NAEULDPXGBWVPF-HHHXNRCGSA-N	1	0	442.563	3.425	50	0		IGAARO
O=C(CC1=CCCCC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000023357982	557087014	/nfs/dbraw/zinc/08/70/14/557087014.db2.gz	VYAKLMLQTXBCCO-QFIPXVFZSA-N	1	0	425.573	3.414	50	0		IGAARO
CC(C)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)CC1	ZINC000033308615	557089481	/nfs/dbraw/zinc/08/94/81/557089481.db2.gz	KKPRZPVGMAIYMF-NRFANRHFSA-N	1	0	448.567	3.092	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1	ZINC000004760142	557090395	/nfs/dbraw/zinc/09/03/95/557090395.db2.gz	NEIRDXPFMZLWKS-RTWAWAEBSA-N	1	0	445.585	3.134	50	0		IGAARO
COc1cc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc(OC)c1OC	ZINC000024628879	557156348	/nfs/dbraw/zinc/15/63/48/557156348.db2.gz	XPZQZBILBFLWMA-UHFFFAOYSA-N	1	0	425.573	3.499	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@@H](NCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1	ZINC000096054711	557166904	/nfs/dbraw/zinc/16/69/04/557166904.db2.gz	DFDPHQXJPPEZEL-XMMPIXPASA-N	1	0	435.568	3.262	50	0		IGAARO
CSc1nc(C)c(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(=O)[nH]1	ZINC000024982561	557185549	/nfs/dbraw/zinc/18/55/49/557185549.db2.gz	GYEPYBMRFLXODO-UHFFFAOYSA-N	1	0	434.993	3.167	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O	ZINC000390827089	557239324	/nfs/dbraw/zinc/23/93/24/557239324.db2.gz	DVSCLZPQTFJALQ-QTJGBDASSA-N	1	0	441.616	3.407	50	0		IGAARO
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C(C)C)cc1	ZINC000026567358	557245103	/nfs/dbraw/zinc/24/51/03/557245103.db2.gz	MBNKJQXMRCTSQP-QHCPKHFHSA-N	1	0	438.572	3.149	50	0		IGAARO
CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1	ZINC000100578576	557265354	/nfs/dbraw/zinc/26/53/54/557265354.db2.gz	DEKMGVZQOOXCLR-QFIPXVFZSA-N	1	0	425.504	3.459	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCCC3)CC2)cc1	ZINC000033254562	557327684	/nfs/dbraw/zinc/32/76/84/557327684.db2.gz	JKSHLUNPGFLSEY-UHFFFAOYSA-N	1	0	435.634	3.168	50	0		IGAARO
O=C(c1nc2ccc(Cl)cn2c1CN1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1	ZINC000247868486	557367442	/nfs/dbraw/zinc/36/74/42/557367442.db2.gz	PRURBYAPDBUODO-NRFANRHFSA-N	1	0	449.986	3.466	50	0		IGAARO
O=C(Nc1ccccc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2	ZINC000575317202	557462722	/nfs/dbraw/zinc/46/27/22/557462722.db2.gz	WGMVBHIIPFFYOF-QFIPXVFZSA-N	1	0	435.572	3.449	50	0		IGAARO
COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](C)O)CC2CC2)c1	ZINC000105002669	557470196	/nfs/dbraw/zinc/47/01/96/557470196.db2.gz	IYKFUFJACGNUFC-HTAPYJJXSA-N	1	0	444.597	3.354	50	0		IGAARO
COC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000108386213	557542404	/nfs/dbraw/zinc/54/24/04/557542404.db2.gz	QCQJJTQXQQBIPN-DENIHFKCSA-N	1	0	433.508	3.466	50	0		IGAARO
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000225615102	557752613	/nfs/dbraw/zinc/75/26/13/557752613.db2.gz	YBVPPAKNYCYABQ-BWAGFHJFSA-N	1	0	445.604	3.447	50	0		IGAARO
Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1S(C)(=O)=O	ZINC000685939937	557838718	/nfs/dbraw/zinc/83/87/18/557838718.db2.gz	RPIHIUBUEMRAJU-UXHICEINSA-N	1	0	427.570	3.384	50	0		IGAARO
CC[NH+](CC)CCCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2	ZINC000009746199	562976517	/nfs/dbraw/zinc/97/65/17/562976517.db2.gz	ADNQWSNZKLFVLO-UHFFFAOYSA-N	1	0	440.613	3.145	50	0		IGAARO
Clc1cccc(Cn2nc(C[NH2+]CCCN3CCOCC3)c(-c3ccccc3)n2)c1	ZINC000261491665	568734409	/nfs/dbraw/zinc/73/44/09/568734409.db2.gz	BRXFOTQOEYGMGU-UHFFFAOYSA-N	1	0	425.964	3.459	50	0		IGAARO
OCC[NH2+]CCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1	ZINC000261492225	568734806	/nfs/dbraw/zinc/73/48/06/568734806.db2.gz	WDYLBKRTEQQQPN-UHFFFAOYSA-N	1	0	434.371	3.362	50	0		IGAARO
CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1	ZINC000043942551	568743638	/nfs/dbraw/zinc/74/36/38/568743638.db2.gz	OKTFYAHDGSESAZ-UHFFFAOYSA-N	1	0	429.561	3.192	50	0		IGAARO
COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C	ZINC000263588333	568760949	/nfs/dbraw/zinc/76/09/49/568760949.db2.gz	RXQALRSEINFFTC-UHFFFAOYSA-N	1	0	435.528	3.217	50	0		IGAARO
COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1OC	ZINC000084077443	568791664	/nfs/dbraw/zinc/79/16/64/568791664.db2.gz	WQATXGXHJOTFTA-UHFFFAOYSA-N	1	0	439.965	3.218	50	0		IGAARO
C[N@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1	ZINC000015728140	568812894	/nfs/dbraw/zinc/81/28/94/568812894.db2.gz	MWELFGTYBHGRCT-SFHVURJKSA-N	1	0	430.622	3.316	50	0		IGAARO
COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000015772904	568823101	/nfs/dbraw/zinc/82/31/01/568823101.db2.gz	LJYRCNLDAOOURI-UHFFFAOYSA-N	1	0	445.567	3.126	50	0		IGAARO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000015954739	568859636	/nfs/dbraw/zinc/85/96/36/568859636.db2.gz	ZFBLLOHUXHPSMJ-KKPNIWNPSA-N	1	0	429.520	3.351	50	0		IGAARO
CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1c(C)nc2nc(SC)nn2c1C	ZINC000016140506	568871821	/nfs/dbraw/zinc/87/18/21/568871821.db2.gz	JKPUGVOUMKZLMN-UHFFFAOYSA-N	1	0	426.590	3.164	50	0		IGAARO
C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)cc2F)C[C@@H](C)O1	ZINC000229828385	568887071	/nfs/dbraw/zinc/88/70/71/568887071.db2.gz	JLEGKQUOEOXTNB-OZQHCQBDSA-N	1	0	434.556	3.062	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000064198480	568893301	/nfs/dbraw/zinc/89/33/01/568893301.db2.gz	FQPBDXQOOCIIQC-FIKRCHLTSA-N	1	0	429.904	3.450	50	0		IGAARO
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H](C)O1	ZINC000240569342	568911803	/nfs/dbraw/zinc/91/18/03/568911803.db2.gz	GZSWWXAUPPBCSR-NJDAHSKKSA-N	1	0	444.620	3.390	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@H]3c3ccsc3)CC2)cc1	ZINC000241588293	568912336	/nfs/dbraw/zinc/91/23/36/568912336.db2.gz	PBROKNQRNLRGII-RXVVDRJESA-N	1	0	447.626	3.115	50	0		IGAARO
CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)cc1	ZINC000089368815	568921288	/nfs/dbraw/zinc/92/12/88/568921288.db2.gz	YYRQHXPDGQQXED-RXVVDRJESA-N	1	0	428.598	3.096	50	0		IGAARO
Cc1cccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)c1C	ZINC000036073271	568945711	/nfs/dbraw/zinc/94/57/11/568945711.db2.gz	MFMXPIYANRIHHX-UHFFFAOYSA-N	1	0	435.528	3.224	50	0		IGAARO
COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cc1	ZINC000036096076	568951212	/nfs/dbraw/zinc/95/12/12/568951212.db2.gz	IDOCJHDKVFNTLU-UGKGYDQZSA-N	1	0	431.529	3.133	50	0		IGAARO
COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C1CC1	ZINC000036309125	568995831	/nfs/dbraw/zinc/99/58/31/568995831.db2.gz	BWMNXSVSOOBQRK-SIKLNZKXSA-N	1	0	444.597	3.033	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1	ZINC000065023267	569089231	/nfs/dbraw/zinc/08/92/31/569089231.db2.gz	DFXHDRGNKOYGHH-HXUWFJFHSA-N	1	0	425.552	3.491	50	0		IGAARO
C[C@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000065062286	569097504	/nfs/dbraw/zinc/09/75/04/569097504.db2.gz	QDXIRMIGHLOINH-HNNXBMFYSA-N	1	0	448.054	3.040	50	0		IGAARO
CCCC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1	ZINC000065172558	569113159	/nfs/dbraw/zinc/11/31/59/569113159.db2.gz	BJPBAVBPKVCSHF-UHFFFAOYSA-N	1	0	445.567	3.250	50	0		IGAARO
O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CCC([NH+]2CCCCC2)CC1	ZINC000007006108	569117604	/nfs/dbraw/zinc/11/76/04/569117604.db2.gz	OFEONHLZMLQHFB-UHFFFAOYSA-N	1	0	428.606	3.410	50	0		IGAARO
COC(=O)[C@@H](CCSC)NC(=S)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000036569344	569118588	/nfs/dbraw/zinc/11/85/88/569118588.db2.gz	JXGBOUXFAHXKSB-HXUWFJFHSA-N	1	0	431.627	3.127	50	0		IGAARO
COc1ccc(OC)c(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)c1	ZINC000065256259	569123209	/nfs/dbraw/zinc/12/32/09/569123209.db2.gz	IMJRFTSNVFQTPJ-QFIPXVFZSA-N	1	0	432.524	3.180	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NCCc1ccc(OC)c(OC)c1	ZINC000524731760	569126652	/nfs/dbraw/zinc/12/66/52/569126652.db2.gz	JVQROFJDSFUUGN-LEWJYISDSA-N	1	0	433.593	3.169	50	0		IGAARO
O=C(c1ccc(I)c(O)c1)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000170595323	569141591	/nfs/dbraw/zinc/14/15/91/569141591.db2.gz	MJNYPQNKLCQJNK-UHFFFAOYSA-N	1	0	436.293	3.345	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)COC(=O)CCc1nc(-c2cccs2)no1)c1ccco1	ZINC000089967803	569169202	/nfs/dbraw/zinc/16/92/02/569169202.db2.gz	GLFWUKFGUCWICP-HNNXBMFYSA-N	1	0	446.529	3.066	50	0		IGAARO
COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1OC	ZINC000252444268	569183771	/nfs/dbraw/zinc/18/37/71/569183771.db2.gz	GVXZFEGRBLJCNN-AOMKIAJQSA-N	1	0	429.542	3.413	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002406623	569300224	/nfs/dbraw/zinc/30/02/24/569300224.db2.gz	IVNFQVHFWRUKIF-SUWCGCSTSA-N	1	0	442.302	3.425	50	0		IGAARO
O=C(Cn1ncc2ccccc21)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	ZINC000078796618	569319061	/nfs/dbraw/zinc/31/90/61/569319061.db2.gz	YPPCXVCJYTXWIY-UHFFFAOYSA-N	1	0	426.524	3.392	50	0		IGAARO
O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)NCCCN1CCCCCC1=O	ZINC000079051948	569323445	/nfs/dbraw/zinc/32/34/45/569323445.db2.gz	JYNYVMSFWXVRPG-XZOQPEGZSA-N	1	0	429.605	3.264	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCCS2(=O)=O)cc1Cl	ZINC000079191055	569328069	/nfs/dbraw/zinc/32/80/69/569328069.db2.gz	PILNJRKOAXAMOA-OXJNMPFZSA-N	1	0	440.009	3.264	50	0		IGAARO
Cn1cccc1C(=O)OC[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1COC(=O)c1cccn1C	ZINC000095450734	569367736	/nfs/dbraw/zinc/36/77/36/569367736.db2.gz	OWUFFXUHHAWYCC-NHCUHLMSSA-N	1	0	435.524	3.126	50	0		IGAARO
Cn1cccc1C(=O)OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)c1cccn1C	ZINC000095450733	569367779	/nfs/dbraw/zinc/36/77/79/569367779.db2.gz	OWUFFXUHHAWYCC-OYRHEFFESA-N	1	0	435.524	3.126	50	0		IGAARO
C[NH+]1CCN(CCc2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)c2)CC1	ZINC000095457788	569369039	/nfs/dbraw/zinc/36/90/39/569369039.db2.gz	CIVAFOZAKMPUCI-HXUWFJFHSA-N	1	0	440.613	3.029	50	0		IGAARO
Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN1CC[NH+](CCO)CC1	ZINC000095477661	569373302	/nfs/dbraw/zinc/37/33/02/569373302.db2.gz	UHUKCAOXSHQGQQ-UHFFFAOYSA-N	1	0	433.508	3.328	50	0		IGAARO
CN1c2c(=O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)coc2-c2ccccc2S1(=O)=O	ZINC000096028129	569380929	/nfs/dbraw/zinc/38/09/29/569380929.db2.gz	WRFWOOWVISDSDF-IBGZPJMESA-N	1	0	433.489	3.162	50	0		IGAARO
CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](CC)C[C@@H]32)C1=O	ZINC000057128602	569429731	/nfs/dbraw/zinc/42/97/31/569429731.db2.gz	KYWISIMLFZVJQW-LJQANCHMSA-N	1	0	446.979	3.004	50	0		IGAARO
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NS(=O)(=O)c2cccc(C(C)=O)c2)CC1	ZINC000058136127	569448335	/nfs/dbraw/zinc/44/83/35/569448335.db2.gz	DQPBIWPDRMXKSF-MRXNPFEDSA-N	1	0	433.549	3.210	50	0		IGAARO
CC1CC[NH+](CCCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1	ZINC000040108374	569488559	/nfs/dbraw/zinc/48/85/59/569488559.db2.gz	DIIMIWZORKSALH-UHFFFAOYSA-N	1	0	435.634	3.493	50	0		IGAARO
CCN(Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](CC)CC)cc2)c1)C(C)=O	ZINC000040122485	569489629	/nfs/dbraw/zinc/48/96/29/569489629.db2.gz	BTCDQFUZAJSECR-UHFFFAOYSA-N	1	0	438.572	3.152	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)C1	ZINC000040146739	569492367	/nfs/dbraw/zinc/49/23/67/569492367.db2.gz	AEVSRLZHANTXSV-UQBPGWFLSA-N	1	0	440.588	3.004	50	0		IGAARO
CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1	ZINC000040157066	569494265	/nfs/dbraw/zinc/49/42/65/569494265.db2.gz	ATCPMFFGGLIVDN-UHFFFAOYSA-N	1	0	442.025	3.319	50	0		IGAARO
C[C@@H]1Cc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)ccc2N1C(=O)C1CCC1	ZINC000245343716	569504541	/nfs/dbraw/zinc/50/45/41/569504541.db2.gz	XQJYGLDILUBLJV-ZWKOTPCHSA-N	1	0	433.618	3.165	50	0		IGAARO
Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000069656243	569511659	/nfs/dbraw/zinc/51/16/59/569511659.db2.gz	YQHOXILAKAZPQR-KDURUIRLSA-N	1	0	445.567	3.383	50	0		IGAARO
Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000069740232	569515748	/nfs/dbraw/zinc/51/57/48/569515748.db2.gz	PTWZTQZYPILZQP-NRFANRHFSA-N	1	0	431.540	3.043	50	0		IGAARO
Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2	ZINC000069879946	569522616	/nfs/dbraw/zinc/52/26/16/569522616.db2.gz	WOHBTLZGHJOZPS-NRFANRHFSA-N	1	0	449.530	3.182	50	0		IGAARO
NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)c2)CC1	ZINC000069950981	569525329	/nfs/dbraw/zinc/52/53/29/569525329.db2.gz	PCWOSYMTQNGQQJ-UHFFFAOYSA-N	1	0	433.552	3.474	50	0		IGAARO
COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)n2)cc1	ZINC000009405555	569529906	/nfs/dbraw/zinc/52/99/06/569529906.db2.gz	SPQNNXUWPCPTFF-GOSISDBHSA-N	1	0	441.576	3.342	50	0		IGAARO
COc1ccc([C@H](CNC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)[NH+]2CCCCC2)cc1	ZINC000009586120	569549588	/nfs/dbraw/zinc/54/95/88/569549588.db2.gz	IVBGZNRBORHGSN-QFIPXVFZSA-N	1	0	449.555	3.300	50	0		IGAARO
C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2nc3ccccc3s2)c2c1CCCC2	ZINC000009747359	569565814	/nfs/dbraw/zinc/56/58/14/569565814.db2.gz	QDXAFNJCZBUHMI-UHFFFAOYSA-N	1	0	443.598	3.024	50	0		IGAARO
CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CCN(C)C4)CC1	ZINC000002404373	132253977	/nfs/dbraw/zinc/25/39/77/132253977.db2.gz	XGPPWPAJWFYEOT-UHFFFAOYSA-N	1	0	444.004	3.230	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c(C)c2)CC1	ZINC000009223541	132309646	/nfs/dbraw/zinc/30/96/46/132309646.db2.gz	CMQRYJZZXWQQNN-JOCHJYFZSA-N	1	0	434.584	3.167	50	0		IGAARO
COc1cc(CC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc(OC)c1OC	ZINC000009471205	132318762	/nfs/dbraw/zinc/31/87/62/132318762.db2.gz	FOGUIAMRGVLALF-UHFFFAOYSA-N	1	0	433.936	3.299	50	0		IGAARO
O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([NH2+]Cc3cccnc3)CC2)cc1	ZINC000011782767	132339559	/nfs/dbraw/zinc/33/95/59/132339559.db2.gz	BGYPVOPKALYOAQ-UHFFFAOYSA-N	1	0	444.535	3.499	50	0		IGAARO
CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1	ZINC000012198609	519436241	/nfs/dbraw/zinc/43/62/41/519436241.db2.gz	XXLCOVPJLQOUIV-HSZRJFAPSA-N	1	0	428.621	3.359	50	0		IGAARO
CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1	ZINC000021018683	519639887	/nfs/dbraw/zinc/63/98/87/519639887.db2.gz	SEKTZSJFQHHOMP-RUZDIDTESA-N	1	0	431.536	3.418	50	0		IGAARO
CC(C)[NH+]1CCC(NC(=O)[C@@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1	ZINC000012780736	519672158	/nfs/dbraw/zinc/67/21/58/519672158.db2.gz	KSOQKHIDQBABDC-CQSZACIVSA-N	1	0	448.658	3.474	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1	ZINC000020559365	519858239	/nfs/dbraw/zinc/85/82/39/519858239.db2.gz	FGDVVRZADKXFNE-UHFFFAOYSA-N	1	0	434.588	3.119	50	0		IGAARO
CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3cc(OC)ccc3OC)s2)CC1	ZINC000021880819	519861160	/nfs/dbraw/zinc/86/11/60/519861160.db2.gz	KQBPFPFQFFLLQJ-UHFFFAOYSA-N	1	0	442.589	3.490	50	0		IGAARO
CCCOc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1Br	ZINC000020967560	520290175	/nfs/dbraw/zinc/29/01/75/520290175.db2.gz	UJDFLDDLKQWMKR-UHFFFAOYSA-N	1	0	436.188	3.422	50	0		IGAARO
CCCOc1c(Br)cc(Br)cc1C[NH2+]CCN1CCOCC1	ZINC000020967900	520290691	/nfs/dbraw/zinc/29/06/91/520290691.db2.gz	MZHHZCXFOBMXOQ-UHFFFAOYSA-N	1	0	436.188	3.422	50	0		IGAARO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000035991055	520510762	/nfs/dbraw/zinc/51/07/62/520510762.db2.gz	FHNKXBNCRSVCAF-JOCHJYFZSA-N	1	0	445.560	3.339	50	0		IGAARO
CCOC(=O)C1C(C[NH2+]CCc2ccc(OC)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C	ZINC000012412513	520519995	/nfs/dbraw/zinc/51/99/95/520519995.db2.gz	FPXVTPBQHIQXSO-QHCPKHFHSA-N	1	0	437.540	3.315	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl	ZINC000020566645	520562491	/nfs/dbraw/zinc/56/24/91/520562491.db2.gz	XOQCUAXBWURDMH-FLFXDLLNSA-N	1	0	437.927	3.103	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccnn2C2CCCC2)cc1	ZINC000057383172	520810373	/nfs/dbraw/zinc/81/03/73/520810373.db2.gz	AHTOKNWXUNHWKG-KRWDZBQOSA-N	1	0	447.605	3.318	50	0		IGAARO
CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1	ZINC000012807855	521666451	/nfs/dbraw/zinc/66/64/51/521666451.db2.gz	XCSFFLLHUJGLPE-XXBNENTESA-N	1	0	434.584	3.451	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)cc2)CC1	ZINC000022790734	521698213	/nfs/dbraw/zinc/69/82/13/521698213.db2.gz	VWNDEEWNFLCSPL-RMKNXTFCSA-N	1	0	447.627	3.098	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)o1	ZINC000036038741	521784773	/nfs/dbraw/zinc/78/47/73/521784773.db2.gz	VOWHBEAZMFAZRB-UHFFFAOYSA-N	1	0	443.495	3.272	50	0		IGAARO
COC(=O)c1ccc(-c2noc(CN3CCC[N@@H+](C4Cc5ccccc5C4)CC3)n2)cc1	ZINC000020907924	521931470	/nfs/dbraw/zinc/93/14/70/521931470.db2.gz	UNDZKVISIQVURM-UHFFFAOYSA-N	1	0	432.524	3.198	50	0		IGAARO
CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1	ZINC000035373762	522528807	/nfs/dbraw/zinc/52/88/07/522528807.db2.gz	HCPFSKOEALNSGL-QHCPKHFHSA-N	1	0	445.567	3.460	50	0		IGAARO
CN(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)S(=O)(=O)c1cccs1	ZINC000021413616	522721815	/nfs/dbraw/zinc/72/18/15/522721815.db2.gz	MOMOLDGCLOVLII-UHFFFAOYSA-N	1	0	435.615	3.061	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1	ZINC000021868210	523166929	/nfs/dbraw/zinc/16/69/29/523166929.db2.gz	BILWBCFEKTZOKX-LJQANCHMSA-N	1	0	429.517	3.358	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1	ZINC000020682754	523168681	/nfs/dbraw/zinc/16/86/81/523168681.db2.gz	NRDQZTCWQCIOSU-GGAORHGYSA-N	1	0	437.588	3.174	50	0		IGAARO
COCCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12	ZINC000035871201	523915303	/nfs/dbraw/zinc/91/53/03/523915303.db2.gz	PLFUDBZSNURWRP-IFMALSPDSA-N	1	0	447.501	3.331	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccccc2OC)CC1	ZINC000012747362	523926359	/nfs/dbraw/zinc/92/63/59/523926359.db2.gz	DJJJVGNDDJHJIG-UHFFFAOYSA-N	1	0	428.529	3.123	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Br)cn2)CC1	ZINC000012612836	523926682	/nfs/dbraw/zinc/92/66/82/523926682.db2.gz	QSCIZZQXACJGNK-UHFFFAOYSA-N	1	0	439.741	3.267	50	0		IGAARO
COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1OC	ZINC000035686224	523973818	/nfs/dbraw/zinc/97/38/18/523973818.db2.gz	DUOUUCVBZFYPRY-LJQANCHMSA-N	1	0	441.524	3.307	50	0		IGAARO
COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[nH]2)C1	ZINC000012438031	524409136	/nfs/dbraw/zinc/40/91/36/524409136.db2.gz	LKORBJRFSMAYOP-LJQANCHMSA-N	1	0	440.588	3.004	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1OC	ZINC000033318634	524550431	/nfs/dbraw/zinc/55/04/31/524550431.db2.gz	WVKMMMKNAPOGKJ-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)CNC(=O)Cc1cccc2ccccc21)[NH+]1CCCC1	ZINC000012793316	524789752	/nfs/dbraw/zinc/78/97/52/524789752.db2.gz	QRWJPUMHJWCERO-DEOSSOPVSA-N	1	0	445.563	3.460	50	0		IGAARO
C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O	ZINC000022619669	525066554	/nfs/dbraw/zinc/06/65/54/525066554.db2.gz	TTXIRJUOUJVWDH-UZLBHIALSA-N	1	0	427.932	3.407	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC[NH+]3CCCCC3)s2)cc1	ZINC000032995147	525261071	/nfs/dbraw/zinc/26/10/71/525261071.db2.gz	OQATXHCCUKIXND-UHFFFAOYSA-N	1	0	429.590	3.414	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[C@@H](C)[NH+]3CCCC3)s2)cc1	ZINC000032995167	525261500	/nfs/dbraw/zinc/26/15/00/525261500.db2.gz	ADTBITZIVIPBBT-QGZVFWFLSA-N	1	0	429.590	3.412	50	0		IGAARO
Cc1ccn2c(=O)cc(C[NH+](Cc3cc(=O)n4ccc(C)cc4n3)[C@@H](C)C3CC3)nc2c1	ZINC000012873794	525607593	/nfs/dbraw/zinc/60/75/93/525607593.db2.gz	LRBJUVAITUZSOV-SFHVURJKSA-N	1	0	429.524	3.120	50	0		IGAARO
Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2	ZINC000012128484	525620270	/nfs/dbraw/zinc/62/02/70/525620270.db2.gz	GUYFNQZVMXHVBU-SFHVURJKSA-N	1	0	430.556	3.198	50	0		IGAARO
Cc1ccc([C@H](C)CC[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	ZINC000012205639	525875317	/nfs/dbraw/zinc/87/53/17/525875317.db2.gz	ZIFXFCCCLGKBPA-QGZVFWFLSA-N	1	0	439.535	3.229	50	0		IGAARO
Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)nn1C	ZINC000012301110	526232441	/nfs/dbraw/zinc/23/24/41/526232441.db2.gz	LWOSAUCHNVJPMG-NRFANRHFSA-N	1	0	428.552	3.401	50	0		IGAARO
O[C@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022797816	526284007	/nfs/dbraw/zinc/28/40/07/526284007.db2.gz	QTGLIGIORIFWRD-NRFANRHFSA-N	1	0	449.389	3.023	50	0		IGAARO
O=C(CCN1C(=O)COc2ccccc21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000022619312	526478064	/nfs/dbraw/zinc/47/80/64/526478064.db2.gz	QJFXUHXSCVBMPA-HXUWFJFHSA-N	1	0	427.932	3.409	50	0		IGAARO
O=C(CCc1cnccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000014975823	526637139	/nfs/dbraw/zinc/63/71/39/526637139.db2.gz	GZHHYKMUKNZXIZ-SANMLTNESA-N	1	0	448.611	3.296	50	0		IGAARO
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CC[NH+](C2CCCCC2)CC1	ZINC000021882412	526655030	/nfs/dbraw/zinc/65/50/30/526655030.db2.gz	KVHLQLVSYMQFFL-UHFFFAOYSA-N	1	0	428.602	3.273	50	0		IGAARO
O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000041251969	526690076	/nfs/dbraw/zinc/69/00/76/526690076.db2.gz	IKBRFUYQQRIJNX-UHFFFAOYSA-N	1	0	428.964	3.431	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCN3CCCc4ccccc43)CC2)cc1)N1CCOCC1	ZINC000012218659	526696102	/nfs/dbraw/zinc/69/61/02/526696102.db2.gz	KMVJOMJKLYXORI-UHFFFAOYSA-N	1	0	448.611	3.170	50	0		IGAARO
Cc1nc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)nc2cc(S(C)(=O)=O)ccc12	ZINC000012217137	526962980	/nfs/dbraw/zinc/96/29/80/526962980.db2.gz	GCVMRWWXLRRWRC-UHFFFAOYSA-N	1	0	436.581	3.068	50	0		IGAARO
O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCC[NH+]1CCCCC1	ZINC000033011521	527082543	/nfs/dbraw/zinc/08/25/43/527082543.db2.gz	QETRIMQAEWIZTD-UHFFFAOYSA-N	1	0	439.994	3.138	50	0		IGAARO
O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000012823113	527525805	/nfs/dbraw/zinc/52/58/05/527525805.db2.gz	RMTCQVZCPVTYGI-UHFFFAOYSA-N	1	0	433.961	3.497	50	0		IGAARO
COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000009468683	537072874	/nfs/dbraw/zinc/07/28/74/537072874.db2.gz	CREFKZJNBXWSKD-UHFFFAOYSA-N	1	0	437.569	3.364	50	0		IGAARO
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)c3n2)cc1	ZINC000000815400	555561762	/nfs/dbraw/zinc/56/17/62/555561762.db2.gz	OTTXTXCDQWKBEW-OAHLLOKOSA-N	1	0	427.455	3.263	50	0		IGAARO
COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCCCC4)CC3)CC2)c1	ZINC000034912188	555934271	/nfs/dbraw/zinc/93/42/71/555934271.db2.gz	QCYYEBWXXUGWQL-UHFFFAOYSA-N	1	0	443.588	3.033	50	0		IGAARO
CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1	ZINC000032773048	556335599	/nfs/dbraw/zinc/33/55/99/556335599.db2.gz	ZOQODUWFLHGFOY-QFIPXVFZSA-N	1	0	425.529	3.139	50	0		IGAARO
CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(CCc4ccccc4)no3)CC2)C1	ZINC000011715222	556348029	/nfs/dbraw/zinc/34/80/29/556348029.db2.gz	QIDFTYJJAZXDMU-HXUWFJFHSA-N	1	0	426.561	3.094	50	0		IGAARO
COc1ccccc1/C=C/C[NH+]1CCC2(CC[C@@H](CNC(=O)C3CCOCC3)O2)CC1	ZINC000011840073	556364804	/nfs/dbraw/zinc/36/48/04/556364804.db2.gz	IUERSMPPWVUPGE-LHXJMTLCSA-N	1	0	428.573	3.265	50	0		IGAARO
COc1cccc(CCNc2ncnc3sc(C(=O)N(C)CC[NH+](C)C)c(C)c32)c1	ZINC000011966690	556382117	/nfs/dbraw/zinc/38/21/17/556382117.db2.gz	KKPRNBHYIJKULK-UHFFFAOYSA-N	1	0	427.574	3.297	50	0		IGAARO
CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)c2)CC1	ZINC000012056909	556394599	/nfs/dbraw/zinc/39/45/99/556394599.db2.gz	WZWBSTOVTNVCGO-GOSISDBHSA-N	1	0	427.589	3.317	50	0		IGAARO
COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3)C1	ZINC000012075114	556397245	/nfs/dbraw/zinc/39/72/45/556397245.db2.gz	LYRXNTZKDOGKED-LJQANCHMSA-N	1	0	437.584	3.289	50	0		IGAARO
O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)N1CC=C(c2ccccc2)CC1	ZINC000014244652	556404339	/nfs/dbraw/zinc/40/43/39/556404339.db2.gz	XDDXXAAOQADAKB-UHFFFAOYSA-N	1	0	447.535	3.382	50	0		IGAARO
CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2	ZINC000014541071	556425557	/nfs/dbraw/zinc/42/55/57/556425557.db2.gz	ILNMUMBLDDRUAD-UHFFFAOYSA-N	1	0	431.540	3.424	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1Cl)C2	ZINC000014751916	556443658	/nfs/dbraw/zinc/44/36/58/556443658.db2.gz	JSUHMQPRPKDAHE-SFHVURJKSA-N	1	0	430.980	3.312	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1	ZINC000022936535	556445779	/nfs/dbraw/zinc/44/57/79/556445779.db2.gz	IYCVVEWDRLLUDC-UHFFFAOYSA-N	1	0	434.588	3.037	50	0		IGAARO
Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000028928143	556464069	/nfs/dbraw/zinc/46/40/69/556464069.db2.gz	DAZRNQIOKXFNAL-UHFFFAOYSA-N	1	0	430.552	3.459	50	0		IGAARO
COC(=O)c1ccccc1-n1ncc(NC[C@H](c2cccs2)[NH+](C)C)c(Cl)c1=O	ZINC000029322745	556472352	/nfs/dbraw/zinc/47/23/52/556472352.db2.gz	HGZFNBKABPKZQM-MRXNPFEDSA-N	1	0	432.933	3.449	50	0		IGAARO
O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1	ZINC000013370775	556503430	/nfs/dbraw/zinc/50/34/30/556503430.db2.gz	DQBAFXDCKFSDKY-HNNXBMFYSA-N	1	0	440.668	3.366	50	0		IGAARO
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1	ZINC000015536608	556533543	/nfs/dbraw/zinc/53/35/43/556533543.db2.gz	YTOBWGCVBGZXMK-QFBILLFUSA-N	1	0	435.615	3.344	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009759	556573680	/nfs/dbraw/zinc/57/36/80/556573680.db2.gz	QXPHKFOICPKOBY-UAKAABGRSA-N	1	0	435.911	3.334	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016022166	556575696	/nfs/dbraw/zinc/57/56/96/556575696.db2.gz	ZCKMMPBAGUWCLE-VKDGWMQASA-N	1	0	437.927	3.103	50	0		IGAARO
Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]Cc4ccc(F)cc4)cc3)cc2n(C)c1=O	ZINC000016363931	556603420	/nfs/dbraw/zinc/60/34/20/556603420.db2.gz	UOELTDKUEDAVTL-XMMPIXPASA-N	1	0	435.499	3.418	50	0		IGAARO
CC(C)[NH+](CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(C)C	ZINC000016600080	556616840	/nfs/dbraw/zinc/61/68/40/556616840.db2.gz	WWIJTHMXDQDBNF-UHFFFAOYSA-N	1	0	445.629	3.476	50	0		IGAARO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)C1	ZINC000005144149	556642294	/nfs/dbraw/zinc/64/22/94/556642294.db2.gz	KFADAJRYAZAAGO-HDICACEKSA-N	1	0	430.622	3.029	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1	ZINC000005144107	556642306	/nfs/dbraw/zinc/64/23/06/556642306.db2.gz	ZZSNGKLXGMULLX-LJQANCHMSA-N	1	0	430.622	3.316	50	0		IGAARO
C[N@H+](CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1	ZINC000033060344	556816784	/nfs/dbraw/zinc/81/67/84/556816784.db2.gz	FMECKEGOYIHPHW-UHFFFAOYSA-N	1	0	429.933	3.306	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@H+]3CCCC[C@H]3C)s2)cc1	ZINC000033062059	556817818	/nfs/dbraw/zinc/81/78/18/556817818.db2.gz	AUCNWLOQXPOCBL-QGZVFWFLSA-N	1	0	429.590	3.412	50	0		IGAARO
CN(Cc1ccon1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21	ZINC000067691705	556846048	/nfs/dbraw/zinc/84/60/48/556846048.db2.gz	RKDVJKCWZAMCLP-UHFFFAOYSA-N	1	0	436.560	3.045	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCCCCC2)c1	ZINC000033131398	556871933	/nfs/dbraw/zinc/87/19/33/556871933.db2.gz	KGNPLGKYTDJGEJ-UHFFFAOYSA-N	1	0	430.014	3.366	50	0		IGAARO
C[C@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCCCC1	ZINC000033254534	556890721	/nfs/dbraw/zinc/89/07/21/556890721.db2.gz	XEFNJJBOSBRIPX-HXUWFJFHSA-N	1	0	435.634	3.248	50	0		IGAARO
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(C)c(C)cc1C)CC2	ZINC000019838179	556928706	/nfs/dbraw/zinc/92/87/06/556928706.db2.gz	OFCPAABHZAMDOG-OAQYLSRUSA-N	1	0	427.593	3.111	50	0		IGAARO
O=C([C@H]1CCCN(c2nnc3ccc(Cl)cn32)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000097087076	556983110	/nfs/dbraw/zinc/98/31/10/556983110.db2.gz	YQVHDLUEEHXICT-KRWDZBQOSA-N	1	0	430.984	3.076	50	0		IGAARO
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000020263084	557004119	/nfs/dbraw/zinc/00/41/19/557004119.db2.gz	FMGNENURFWVUCY-UHFFFAOYSA-N	1	0	438.503	3.240	50	0		IGAARO
COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCOC(C)C)C4)c1	ZINC000020271058	557004758	/nfs/dbraw/zinc/00/47/58/557004758.db2.gz	OSBRCJZHSGHIEI-QGZVFWFLSA-N	1	0	427.570	3.387	50	0		IGAARO
C[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)c1ccc(F)cc1	ZINC000048374980	557076344	/nfs/dbraw/zinc/07/63/44/557076344.db2.gz	QGIUQUISJUAZRQ-QGZVFWFLSA-N	1	0	429.511	3.213	50	0		IGAARO
CCCC[NH+]1CCN(c2ccc(-c3csc(S(=O)(=O)N4CCCCC4)c3)nn2)CC1	ZINC000033299403	557078038	/nfs/dbraw/zinc/07/80/38/557078038.db2.gz	NBRBVUABKOPPGK-UHFFFAOYSA-N	1	0	449.646	3.302	50	0		IGAARO
COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(I)c1O	ZINC000023281331	557081766	/nfs/dbraw/zinc/08/17/66/557081766.db2.gz	UBVKEMSGEBZNOS-UHFFFAOYSA-N	1	0	438.309	3.323	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1	ZINC000023296770	557082761	/nfs/dbraw/zinc/08/27/61/557082761.db2.gz	FYKGMVAMZKWALA-UHFFFAOYSA-N	1	0	426.586	3.299	50	0		IGAARO
COc1ccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1	ZINC000023312179	557083825	/nfs/dbraw/zinc/08/38/25/557083825.db2.gz	FEZPRYOONSKCOU-NRFANRHFSA-N	1	0	432.568	3.331	50	0		IGAARO
O=C(NCC[NH+]1CCCC1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1	ZINC000049006513	557085025	/nfs/dbraw/zinc/08/50/25/557085025.db2.gz	FGBOIZNCIXDZQI-UHFFFAOYSA-N	1	0	446.555	3.227	50	0		IGAARO
Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000023353981	557086613	/nfs/dbraw/zinc/08/66/13/557086613.db2.gz	YPKIDNVMVZXIAI-QFIPXVFZSA-N	1	0	435.616	3.111	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000023977672	557128836	/nfs/dbraw/zinc/12/88/36/557128836.db2.gz	SBMCBBHATIAEOF-HXUWFJFHSA-N	1	0	425.960	3.469	50	0		IGAARO
Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(S(=O)(=O)N2CCC(C)CC2)c1C	ZINC000072288415	557149084	/nfs/dbraw/zinc/14/90/84/557149084.db2.gz	SIQMZJWRRPQQTL-OAQYLSRUSA-N	1	0	433.618	3.034	50	0		IGAARO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@@H+](C4CC4)CC3)cc2)cc1C	ZINC000069924685	557167761	/nfs/dbraw/zinc/16/77/61/557167761.db2.gz	AAUHKTZVRLRADC-UHFFFAOYSA-N	1	0	427.570	3.415	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccsc1	ZINC000025331980	557204608	/nfs/dbraw/zinc/20/46/08/557204608.db2.gz	FUIJSQZLCBQDPR-QGZVFWFLSA-N	1	0	449.374	3.030	50	0		IGAARO
CC(C)[C@@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000025918534	557230341	/nfs/dbraw/zinc/23/03/41/557230341.db2.gz	QYGRKIKEBYZCOC-XMMPIXPASA-N	1	0	435.568	3.391	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NC[C@H]1COc2ccccc2O1	ZINC000604404655	557247837	/nfs/dbraw/zinc/24/78/37/557247837.db2.gz	INGBYHQSFZVWTD-PCCBWWKXSA-N	1	0	431.577	3.139	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000604404657	557247852	/nfs/dbraw/zinc/24/78/52/557247852.db2.gz	INGBYHQSFZVWTD-PWRODBHTSA-N	1	0	431.577	3.139	50	0		IGAARO
COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000014161185	557311896	/nfs/dbraw/zinc/31/18/96/557311896.db2.gz	FGPXEMZBEUJCCM-HTAPYJJXSA-N	1	0	445.585	3.137	50	0		IGAARO
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1	ZINC000222293682	557335128	/nfs/dbraw/zinc/33/51/28/557335128.db2.gz	HJXNYLHTTCDXPX-IHPCNDPISA-N	1	0	433.549	3.012	50	0		IGAARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000105061745	557475681	/nfs/dbraw/zinc/47/56/81/557475681.db2.gz	CRXWWJUMKFJHMV-JPYJTQIMSA-N	1	0	437.609	3.473	50	0		IGAARO
C[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000225414135	557719994	/nfs/dbraw/zinc/71/99/94/557719994.db2.gz	YZAQNCAVJAWNLG-SJORKVTESA-N	1	0	448.583	3.258	50	0		IGAARO
Cc1[nH]c(C(=O)NCCC[NH+]2CCCCCC2)c(C)c1S(=O)(=O)N1CCCCCC1	ZINC000097112613	557832260	/nfs/dbraw/zinc/83/22/60/557832260.db2.gz	WXIVLPLTZPHQGL-UHFFFAOYSA-N	1	0	438.638	3.192	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1ccc2c(c1)nc1sc(Nc3ccccc3)nn1c2=O	ZINC000008614883	562959638	/nfs/dbraw/zinc/95/96/38/562959638.db2.gz	OOWMNGAVNLLURH-UHFFFAOYSA-N	1	0	436.541	3.119	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000013598352	562996734	/nfs/dbraw/zinc/99/67/34/562996734.db2.gz	DFORLDORRSHIRO-UHFFFAOYSA-N	1	0	433.618	3.390	50	0		IGAARO
CN1CC[N@H+](CCCNC(=O)Nc2nnc(-c3ccccn3)s2)[C@@H](c2ccccc2)C1	ZINC000106103808	568624830	/nfs/dbraw/zinc/62/48/30/568624830.db2.gz	UPOSREFLCRQERC-LJQANCHMSA-N	1	0	437.573	3.100	50	0		IGAARO
C[C@H]1CN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC[NH2+]1	ZINC000253604626	568644132	/nfs/dbraw/zinc/64/41/32/568644132.db2.gz	ZQXGJPREKWYQHY-SFHVURJKSA-N	1	0	435.547	3.197	50	0		IGAARO
O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000005938962	568738650	/nfs/dbraw/zinc/73/86/50/568738650.db2.gz	AWGLHAUAFJZOQS-DQEYMECFSA-N	1	0	425.569	3.191	50	0		IGAARO
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](CC=C(C)C)CC3)o1	ZINC000299779558	568757052	/nfs/dbraw/zinc/75/70/52/568757052.db2.gz	GEYJACLWPSSEMC-IBGZPJMESA-N	1	0	429.565	3.359	50	0		IGAARO
CCOC(=O)c1noc2ncnc(NCC3CC[NH+](CCc4ccc(F)cc4)CC3)c21	ZINC000015735197	568816459	/nfs/dbraw/zinc/81/64/59/568816459.db2.gz	FMJQJLBKKDAOJT-UHFFFAOYSA-N	1	0	427.480	3.300	50	0		IGAARO
COc1cccc(OCC[NH+]2CCN(c3cc(C)nc4c5c(nn43)nc(C)cc5C)CC2)c1	ZINC000054333073	568940228	/nfs/dbraw/zinc/94/02/28/568940228.db2.gz	SUKTXWWIJSYPLW-UHFFFAOYSA-N	1	0	446.555	3.412	50	0		IGAARO
CCNc1nc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc(C)[nH+]1	ZINC000064800679	568961282	/nfs/dbraw/zinc/96/12/82/568961282.db2.gz	AJWCEAFFSLDNOB-UHFFFAOYSA-N	1	0	430.361	3.035	50	0		IGAARO
Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc(NC2CCCCC2)[nH+]1	ZINC000064814607	568964163	/nfs/dbraw/zinc/96/41/63/568964163.db2.gz	TWEUUVCURMEDEP-UHFFFAOYSA-N	1	0	447.580	3.488	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC[NH+](CC(C)C)CC(C)C)cc21	ZINC000064952265	568996606	/nfs/dbraw/zinc/99/66/06/568996606.db2.gz	XDJZZYRGMGHVGR-UHFFFAOYSA-N	1	0	441.663	3.428	50	0		IGAARO
COC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(C)cc2)CC1	ZINC000036340534	569078939	/nfs/dbraw/zinc/07/89/39/569078939.db2.gz	DMSILUSINPJYAA-XMMPIXPASA-N	1	0	446.595	3.481	50	0		IGAARO
CC[NH+]1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)nn2)CC1	ZINC000065009539	569087995	/nfs/dbraw/zinc/08/79/95/569087995.db2.gz	BIDAZRIOBVFGAU-UHFFFAOYSA-N	1	0	443.617	3.159	50	0		IGAARO
CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)C2)ncn1	ZINC000169783696	569104254	/nfs/dbraw/zinc/10/42/54/569104254.db2.gz	IFKLEHNDHLMXJJ-RTWAWAEBSA-N	1	0	428.625	3.239	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O	ZINC000065172612	569113332	/nfs/dbraw/zinc/11/33/32/569113332.db2.gz	XTXYZAHOUPMUAA-GOSISDBHSA-N	1	0	437.588	3.429	50	0		IGAARO
COc1ccc(OC)c(CNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)c1	ZINC000065256260	569123202	/nfs/dbraw/zinc/12/32/02/569123202.db2.gz	IMJRFTSNVFQTPJ-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
Cn1c(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)nc2ccccc21	ZINC000065256345	569123355	/nfs/dbraw/zinc/12/33/55/569123355.db2.gz	KMCMUUQBMPXRQP-NRFANRHFSA-N	1	0	426.524	3.049	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cn1	ZINC000065265690	569127102	/nfs/dbraw/zinc/12/71/02/569127102.db2.gz	MMDQIGMCSSJPMO-VWLOTQADSA-N	1	0	442.523	3.406	50	0		IGAARO
CC[NH+]1CCC(CCNC(=O)[C@@H]2CN(C(=O)c3ccncc3)CC23CCCCC3)CC1	ZINC000065266217	569127497	/nfs/dbraw/zinc/12/74/97/569127497.db2.gz	LOJPIMKJUNOSLO-QFIPXVFZSA-N	1	0	426.605	3.342	50	0		IGAARO
CC(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1	ZINC000037288627	569146138	/nfs/dbraw/zinc/14/61/38/569146138.db2.gz	LIWNAMALFGJNBK-UHFFFAOYSA-N	1	0	426.605	3.272	50	0		IGAARO
C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000170621513	569147554	/nfs/dbraw/zinc/14/75/54/569147554.db2.gz	QBUHMEOSCJEHJZ-MOPGFXCFSA-N	1	0	448.583	3.417	50	0		IGAARO
COc1ccc(C)cc1N1C[C@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)CC1=O	ZINC000089616888	569159984	/nfs/dbraw/zinc/15/99/84/569159984.db2.gz	LIVHZOVWSRPTJV-HXUWFJFHSA-N	1	0	436.556	3.127	50	0		IGAARO
NC(=O)c1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000089780558	569162807	/nfs/dbraw/zinc/16/28/07/569162807.db2.gz	YBMVHGHRTVGREM-UHFFFAOYSA-N	1	0	449.477	3.138	50	0		IGAARO
COc1ccc(-n2nc3nc(N4CC[NH2+]CC4)nc(-c4cccc(Cl)c4)c3c2N)cc1	ZINC000037358429	569176156	/nfs/dbraw/zinc/17/61/56/569176156.db2.gz	YYXPWLNJXYFEGJ-UHFFFAOYSA-N	1	0	435.919	3.136	50	0		IGAARO
COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC[NH+](C)C)C(=O)C2CCC2)cc1	ZINC000037400404	569194959	/nfs/dbraw/zinc/19/49/59/569194959.db2.gz	DMLAXTIVFKPQTN-UHFFFAOYSA-N	1	0	446.569	3.153	50	0		IGAARO
COc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cc1F	ZINC000581819685	569211444	/nfs/dbraw/zinc/21/14/44/569211444.db2.gz	BQGBEDOEEUBYJR-OAQYLSRUSA-N	1	0	447.595	3.262	50	0		IGAARO
Cc1ccc(CNC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cc1	ZINC000581819792	569211533	/nfs/dbraw/zinc/21/15/33/569211533.db2.gz	LHJCCAYGNVZDNH-DEOSSOPVSA-N	1	0	442.648	3.492	50	0		IGAARO
CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1	ZINC000581819768	569211600	/nfs/dbraw/zinc/21/16/00/569211600.db2.gz	JVVVTJFMBJAQGP-HSZRJFAPSA-N	1	0	425.617	3.284	50	0		IGAARO
CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	ZINC000328592178	569317221	/nfs/dbraw/zinc/31/72/21/569317221.db2.gz	IMJKKKFFUXCIKW-LJQANCHMSA-N	1	0	426.586	3.449	50	0		IGAARO
CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000078702853	569318285	/nfs/dbraw/zinc/31/82/85/569318285.db2.gz	PDZQTMFSTRKONL-JOCHJYFZSA-N	1	0	449.661	3.059	50	0		IGAARO
O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)NCCCN1CCCCCC1=O	ZINC000079051956	569323417	/nfs/dbraw/zinc/32/34/17/569323417.db2.gz	JYNYVMSFWXVRPG-GOTSBHOMSA-N	1	0	429.605	3.264	50	0		IGAARO
CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1	ZINC000079105473	569325748	/nfs/dbraw/zinc/32/57/48/569325748.db2.gz	VBNQLSDSIJMTSU-DEOSSOPVSA-N	1	0	446.592	3.390	50	0		IGAARO
Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc4c(c3)ncn4CCC[NH+](C)C)C2)n1	ZINC000079477091	569330778	/nfs/dbraw/zinc/33/07/78/569330778.db2.gz	VVMDHGSYTPQCKZ-LJQANCHMSA-N	1	0	435.576	3.250	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C	ZINC000020241853	569358152	/nfs/dbraw/zinc/35/81/52/569358152.db2.gz	COPBGFSQZMLRPE-UHFFFAOYSA-N	1	0	435.590	3.111	50	0		IGAARO
CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1	ZINC000027970926	569405003	/nfs/dbraw/zinc/40/50/03/569405003.db2.gz	BYPZUBBIHNEBRU-UHFFFAOYSA-N	1	0	425.776	3.216	50	0		IGAARO
COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)COCc1ccc2c(c1)OCO2	ZINC000002620066	569410851	/nfs/dbraw/zinc/41/08/51/569410851.db2.gz	KRCQOGGQZSLXCH-KRWDZBQOSA-N	1	0	438.318	3.196	50	0		IGAARO
O=C(NCC(F)(F)F)c1ccc(C[N@H+](CCN2C(=O)c3ccccc3C2=O)C2CC2)cc1	ZINC000029696999	569431681	/nfs/dbraw/zinc/43/16/81/569431681.db2.gz	QKTHZAAHXSFUET-UHFFFAOYSA-N	1	0	445.441	3.239	50	0		IGAARO
Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(Cc4cccs4)CC3)o2)s1	ZINC000031296482	569455642	/nfs/dbraw/zinc/45/56/42/569455642.db2.gz	FYDHHNPABURHPB-UHFFFAOYSA-N	1	0	435.600	3.308	50	0		IGAARO
NC(=O)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)C1	ZINC000008172025	569462411	/nfs/dbraw/zinc/46/24/11/569462411.db2.gz	MNFKKKLPPOGPPI-OOTRUBSTSA-N	1	0	427.564	3.320	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)[NH+]2CCCC2)cc1	ZINC000008313982	569462587	/nfs/dbraw/zinc/46/25/87/569462587.db2.gz	CGVKYHIQYLCILQ-CTNGQTDRSA-N	1	0	425.554	3.451	50	0		IGAARO
CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C(C)C)cc1	ZINC000008478285	569465823	/nfs/dbraw/zinc/46/58/23/569465823.db2.gz	YTQIAVFIYHFXQQ-RBBKRZOGSA-N	1	0	427.545	3.386	50	0		IGAARO
CC(C)[N@H+](CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O)Cc1ccccc1	ZINC000008932988	569487719	/nfs/dbraw/zinc/48/77/19/569487719.db2.gz	KPOCLUDTGCFGNN-UHFFFAOYSA-N	1	0	445.567	3.305	50	0		IGAARO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000009402810	569529450	/nfs/dbraw/zinc/52/94/50/569529450.db2.gz	NYZMSUPACKYIHW-FPOVZHCZSA-N	1	0	444.626	3.250	50	0		IGAARO
C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1	ZINC000009636914	569554735	/nfs/dbraw/zinc/55/47/35/569554735.db2.gz	KSWAMTRGYDPFCM-UHFFFAOYSA-N	1	0	437.565	3.374	50	0		IGAARO
CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2cccc(OC)c2)c2c1CCCC2	ZINC000009746974	569565772	/nfs/dbraw/zinc/56/57/72/569565772.db2.gz	JLCCMOAEQIGHMH-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCc1ccccc1C[NH+]1CCCCC1	ZINC000010282681	569580474	/nfs/dbraw/zinc/58/04/74/569580474.db2.gz	UXFCMPCGEAMDLD-UHFFFAOYSA-N	1	0	431.483	3.320	50	0		IGAARO
O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000010333957	569581061	/nfs/dbraw/zinc/58/10/61/569581061.db2.gz	FJGFXVKRDGCRSD-NRFANRHFSA-N	1	0	431.492	3.460	50	0		IGAARO
COc1ccc(C[NH+]2CCC(NC(=O)c3nccnc3NC(=O)c3ccccc3)CC2)cc1	ZINC000034716978	569587582	/nfs/dbraw/zinc/58/75/82/569587582.db2.gz	MIURLLUZNIOWIK-UHFFFAOYSA-N	1	0	445.523	3.132	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1	ZINC000003670354	132267484	/nfs/dbraw/zinc/26/74/84/132267484.db2.gz	JUMQWHRXNZCDBW-DEOSSOPVSA-N	1	0	440.544	3.131	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21	ZINC000004932423	132274834	/nfs/dbraw/zinc/27/48/34/132274834.db2.gz	UFLWPAJYPAUSLG-JWGURIENSA-N	1	0	425.504	3.440	50	0		IGAARO
COc1ccccc1N1CC[NH+](CCCNc2nc3ccccc3n3c(C)nnc23)CC1	ZINC000009405599	132314930	/nfs/dbraw/zinc/31/49/30/132314930.db2.gz	PCVPOUXTEXLHGZ-UHFFFAOYSA-N	1	0	431.544	3.219	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)N2CCN(c3cccc(OC)c3)CC2)[NH+]2CCCC2)cc1	ZINC000009469225	132318641	/nfs/dbraw/zinc/31/86/41/132318641.db2.gz	YPIWYQDANHEHFW-XMMPIXPASA-N	1	0	438.572	3.373	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccc(Cl)cc1)C2	ZINC000014533215	519534437	/nfs/dbraw/zinc/53/44/37/519534437.db2.gz	JOOUYDDBRKZQOT-FQEVSTJZSA-N	1	0	445.007	3.355	50	0		IGAARO
CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000035991116	520515010	/nfs/dbraw/zinc/51/50/10/520515010.db2.gz	GPGKSUUVTBMWDR-QFIPXVFZSA-N	1	0	442.604	3.135	50	0		IGAARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1nc(-c2ccncc2)no1	ZINC000022324367	520714653	/nfs/dbraw/zinc/71/46/53/520714653.db2.gz	PRSHMURYHDRHQU-UHFFFAOYSA-N	1	0	433.516	3.394	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)n2C)c1	ZINC000035561068	520815018	/nfs/dbraw/zinc/81/50/18/520815018.db2.gz	BCTTYAHITKZVIV-SFHVURJKSA-N	1	0	448.633	3.203	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)n2C)c1	ZINC000035561070	520815316	/nfs/dbraw/zinc/81/53/16/520815316.db2.gz	BCTTYAHITKZVIV-GOSISDBHSA-N	1	0	448.633	3.203	50	0		IGAARO
CCOc1ccc(-c2nc(CSCC(=O)NCCCN3CC[NH+](C)CC3)c(C)o2)cc1	ZINC000020737130	520816609	/nfs/dbraw/zinc/81/66/09/520816609.db2.gz	HLGQKWMRGSHHIG-UHFFFAOYSA-N	1	0	446.617	3.036	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC(C)C)c2=O)C1	ZINC000012149225	520872769	/nfs/dbraw/zinc/87/27/69/520872769.db2.gz	GEXOSBIBNYHKHM-FQEVSTJZSA-N	1	0	444.620	3.123	50	0		IGAARO
CCOc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	ZINC000020782312	520980334	/nfs/dbraw/zinc/98/03/34/520980334.db2.gz	TXTQDVWZYINPET-JOCHJYFZSA-N	1	0	437.544	3.455	50	0		IGAARO
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1	ZINC000014960914	521355446	/nfs/dbraw/zinc/35/54/46/521355446.db2.gz	SEIVAADTHDKHQC-VWLOTQADSA-N	1	0	427.541	3.454	50	0		IGAARO
CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2C)CC1	ZINC000022804403	521690020	/nfs/dbraw/zinc/69/00/20/521690020.db2.gz	XOCQWFDBOFLLKC-UHFFFAOYSA-N	1	0	441.963	3.382	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000020604715	521692699	/nfs/dbraw/zinc/69/26/99/521692699.db2.gz	VYXUTACJQMWABY-DEOSSOPVSA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
CC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(Cc5ccc(F)cc5)c(=O)c34)C2)CC1	ZINC000022910009	521693975	/nfs/dbraw/zinc/69/39/75/521693975.db2.gz	OOWTUBHYTOWPPH-GOSISDBHSA-N	1	0	426.561	3.140	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2C)CC1	ZINC000012757601	521699215	/nfs/dbraw/zinc/69/92/15/521699215.db2.gz	KJJQNNJBLLITRG-QFIPXVFZSA-N	1	0	434.584	3.167	50	0		IGAARO
CC[C@@H](C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)N1c2cc(C)nn2CCC1=O	ZINC000035374447	521837851	/nfs/dbraw/zinc/83/78/51/521837851.db2.gz	HZMZZVGVFBACRZ-NRFANRHFSA-N	1	0	425.577	3.124	50	0		IGAARO
C[NH+](C)[C@@H]1CCN(Cc2ccc3ccccc3c2)C[C@@H]1CCC(=O)NCCc1c[nH]cn1	ZINC000012246458	522052492	/nfs/dbraw/zinc/05/24/92/522052492.db2.gz	JKVHQLUMXXWAEB-UKILVPOCSA-N	1	0	433.600	3.454	50	0		IGAARO
COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C	ZINC000020780675	522194739	/nfs/dbraw/zinc/19/47/39/522194739.db2.gz	JLBGTSYRYMYHEH-UHFFFAOYSA-N	1	0	437.519	3.031	50	0		IGAARO
COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012432173	522356668	/nfs/dbraw/zinc/35/66/68/522356668.db2.gz	IPPWDRCSJAXJLS-QFIPXVFZSA-N	1	0	430.593	3.067	50	0		IGAARO
COc1cc(CN2C(=O)CC[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]32)cc(OC)c1OC	ZINC000012134799	522367040	/nfs/dbraw/zinc/36/70/40/522367040.db2.gz	ZMZWWDMJLDHQMW-UXHICEINSA-N	1	0	425.529	3.121	50	0		IGAARO
CN(CCO)C(=O)c1cn(C2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)nn1	ZINC000012129579	522880473	/nfs/dbraw/zinc/88/04/73/522880473.db2.gz	MALQUMGTEKTHJU-UHFFFAOYSA-N	1	0	443.935	3.093	50	0		IGAARO
COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCSc2nnnn2C)cc1	ZINC000012299176	523243005	/nfs/dbraw/zinc/24/30/05/523243005.db2.gz	XSULKTXTSRVLOH-UHFFFAOYSA-N	1	0	439.520	3.092	50	0		IGAARO
COc1ccc(-n2nnnc2SCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1	ZINC000012883390	523356309	/nfs/dbraw/zinc/35/63/09/523356309.db2.gz	SCLBQZIBSHHHOE-UHFFFAOYSA-N	1	0	444.605	3.068	50	0		IGAARO
CCc1c(C(=O)NCCc2ccc(OC)cc2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC	ZINC000012451917	523694947	/nfs/dbraw/zinc/69/49/47/523694947.db2.gz	JPFFGIQWUYCYLV-HXUWFJFHSA-N	1	0	425.573	3.185	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000034740634	523732464	/nfs/dbraw/zinc/73/24/64/523732464.db2.gz	ZULUQXQZLLNGBF-RXVVDRJESA-N	1	0	432.586	3.094	50	0		IGAARO
C[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1	ZINC000021916101	523903581	/nfs/dbraw/zinc/90/35/81/523903581.db2.gz	FSVWZTGZIGYDGP-UHFFFAOYSA-N	1	0	435.572	3.039	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1	ZINC000020998034	523915050	/nfs/dbraw/zinc/91/50/50/523915050.db2.gz	QNKPOMZWXJXIBT-FPOVZHCZSA-N	1	0	435.490	3.201	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)Cc2ccc(C)cn2)CC1	ZINC000012307580	523926034	/nfs/dbraw/zinc/92/60/34/523926034.db2.gz	OTHVXEXIAAMAPV-IBGZPJMESA-N	1	0	441.572	3.249	50	0		IGAARO
COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1	ZINC000012449384	524027799	/nfs/dbraw/zinc/02/77/99/524027799.db2.gz	BMCIPXTWFYIZMK-OAQYLSRUSA-N	1	0	435.528	3.183	50	0		IGAARO
CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O	ZINC000021938519	524031631	/nfs/dbraw/zinc/03/16/31/524031631.db2.gz	PWMNTRSFYCTWJE-QHCPKHFHSA-N	1	0	432.568	3.416	50	0		IGAARO
COc1ccc(CNCc2nc(C)cc(C)n2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012478660	524073765	/nfs/dbraw/zinc/07/37/65/524073765.db2.gz	YYVXSVWITKQNOZ-QFIPXVFZSA-N	1	0	442.604	3.398	50	0		IGAARO
COc1cccc([C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)[NH+]2CCCC2)c1	ZINC000012738951	524159692	/nfs/dbraw/zinc/15/96/92/524159692.db2.gz	OUEDPRPNVMBXIS-QFIPXVFZSA-N	1	0	435.524	3.025	50	0		IGAARO
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1C	ZINC000012751219	524251470	/nfs/dbraw/zinc/25/14/70/524251470.db2.gz	JHZMJCWBPLABOO-UHFFFAOYSA-N	1	0	449.661	3.310	50	0		IGAARO
Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1=O	ZINC000012607618	524350510	/nfs/dbraw/zinc/35/05/10/524350510.db2.gz	PXRODXOPCFEVOL-UHFFFAOYSA-N	1	0	427.574	3.048	50	0		IGAARO
Cc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)cc1	ZINC000021888091	524436777	/nfs/dbraw/zinc/43/67/77/524436777.db2.gz	MHCDTKLLOYSYSB-UHFFFAOYSA-N	1	0	441.597	3.460	50	0		IGAARO
COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C)[NH+]1CCCC1	ZINC000012800569	524791532	/nfs/dbraw/zinc/79/15/32/524791532.db2.gz	UPMOGCNDHWIMDK-DHLKQENFSA-N	1	0	437.584	3.332	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)cc1C	ZINC000035805232	524929799	/nfs/dbraw/zinc/92/97/99/524929799.db2.gz	QFCXCRVWKIHTAA-KKPNIWNPSA-N	1	0	429.520	3.351	50	0		IGAARO
Cc1ccc(NC(=O)c2c(N)n(CCC[NH+]3CCOCC3)c3nc4ccccc4nc32)cc1	ZINC000021540156	525227846	/nfs/dbraw/zinc/22/78/46/525227846.db2.gz	FIHDNVLPOVFSAC-UHFFFAOYSA-N	1	0	444.539	3.450	50	0		IGAARO
C[C@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21	ZINC000012770188	525306588	/nfs/dbraw/zinc/30/65/88/525306588.db2.gz	OQHPSRZVKNNESK-HFJWLAOPSA-N	1	0	444.535	3.465	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1cccc2ccccc21	ZINC000012770179	525411746	/nfs/dbraw/zinc/41/17/46/525411746.db2.gz	OQHPSRZVKNNESK-DWXRJYCRSA-N	1	0	444.535	3.465	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21	ZINC000016009937	525558600	/nfs/dbraw/zinc/55/86/00/525558600.db2.gz	FDIDDYKYJCSPRC-JVGYHMDPSA-N	1	0	441.940	3.018	50	0		IGAARO
Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)CC2)n1	ZINC000035454493	525663916	/nfs/dbraw/zinc/66/39/16/525663916.db2.gz	IFQXGVUFTYSSKJ-UHFFFAOYSA-N	1	0	425.552	3.169	50	0		IGAARO
Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)n1	ZINC000035454452	525664233	/nfs/dbraw/zinc/66/42/33/525664233.db2.gz	JCECZZGPQSXXEO-UHFFFAOYSA-N	1	0	435.616	3.462	50	0		IGAARO
COc1cccc(-n2nc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3c2=O)c1	ZINC000020804798	525755253	/nfs/dbraw/zinc/75/52/53/525755253.db2.gz	AJNLJPQGZGIRLF-UHFFFAOYSA-N	1	0	434.540	3.246	50	0		IGAARO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CC[NH+](C)CC2)cc1	ZINC000022582911	525758913	/nfs/dbraw/zinc/75/89/13/525758913.db2.gz	HORXOORQLZVXQB-OAQYLSRUSA-N	1	0	428.964	3.000	50	0		IGAARO
COc1cccc(C[C@]2(C3CC[NH+](Cc4ccccc4F)CC3)NC(=O)N(C)C2=O)c1	ZINC000012212613	526081664	/nfs/dbraw/zinc/08/16/64/526081664.db2.gz	KEYYDZYLXPVHLI-XMMPIXPASA-N	1	0	425.504	3.209	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21	ZINC000016010331	526221406	/nfs/dbraw/zinc/22/14/06/526221406.db2.gz	JYDJTIILAZQOPN-GBWYYYKWSA-N	1	0	435.499	3.019	50	0		IGAARO
O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCCC1	ZINC000032995229	526468471	/nfs/dbraw/zinc/46/84/71/526468471.db2.gz	XGDKHVZFFCBBOJ-UHFFFAOYSA-N	1	0	435.981	3.369	50	0		IGAARO
O=C(CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1	ZINC000035421868	526475932	/nfs/dbraw/zinc/47/59/32/526475932.db2.gz	HMEDWPARUCLCMD-UHFFFAOYSA-N	1	0	448.336	3.053	50	0		IGAARO
O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000012703666	527100725	/nfs/dbraw/zinc/10/07/25/527100725.db2.gz	NTJMQJCAFFHJPE-RUZDIDTESA-N	1	0	448.611	3.007	50	0		IGAARO
Cn1ncc2c3ccccc3n(CCCC(=O)N3CCC([NH+]4CCCCC4)CC3)c2c1=O	ZINC000035372257	527588857	/nfs/dbraw/zinc/58/88/57/527588857.db2.gz	XIIJJQAUTWCUTQ-UHFFFAOYSA-N	1	0	435.572	3.145	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1	ZINC000035455112	527664862	/nfs/dbraw/zinc/66/48/62/527664862.db2.gz	IUKIHUKOAMNIBI-HXUWFJFHSA-N	1	0	425.552	3.491	50	0		IGAARO
COc1ccccc1N1CCN(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1	ZINC000034682385	555816377	/nfs/dbraw/zinc/81/63/77/555816377.db2.gz	FYFNVFNITNJEQH-UHFFFAOYSA-N	1	0	436.600	3.233	50	0		IGAARO
Cc1cc([C@H]2CC[C@@H](C(=O)NCC[NH+](C)C)CN2C(=O)NCc2ccccc2)ccc1F	ZINC000034716054	555865446	/nfs/dbraw/zinc/86/54/46/555865446.db2.gz	AVYHGRKFDBLTID-FYYLOGMGSA-N	1	0	440.563	3.475	50	0		IGAARO
CC1CCC2(CC1)OC[C@H](C(=O)NCC[NH+]1CCCCC1)N2C(=O)c1ccc(F)cc1	ZINC000034920282	555931240	/nfs/dbraw/zinc/93/12/40/555931240.db2.gz	MEIRRWASEHTRQP-RUPGZQMFSA-N	1	0	431.552	3.175	50	0		IGAARO
COc1cccc(C(=O)N2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)c1	ZINC000034912285	555934161	/nfs/dbraw/zinc/93/41/61/555934161.db2.gz	DEPAWQITGLBEPJ-UHFFFAOYSA-N	1	0	449.595	3.371	50	0		IGAARO
COc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1c(F)cccc1Cl	ZINC000008590889	556188943	/nfs/dbraw/zinc/18/89/43/556188943.db2.gz	NSUWHKALDMQFHS-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(I)cc1	ZINC000008738118	556205016	/nfs/dbraw/zinc/20/50/16/556205016.db2.gz	DQBAFXDCKFSDKY-OAHLLOKOSA-N	1	0	440.668	3.366	50	0		IGAARO
COc1cc(CNCCC[NH2+]CCO)cc(Br)c1OCc1ccccc1F	ZINC000013732929	556296331	/nfs/dbraw/zinc/29/63/31/556296331.db2.gz	MBBQSAQZIBCLDI-UHFFFAOYSA-N	1	0	441.341	3.237	50	0		IGAARO
COc1cc(OC)cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)c1	ZINC000011787307	556354120	/nfs/dbraw/zinc/35/41/20/556354120.db2.gz	WVQCSCQPQMFYBG-HXUWFJFHSA-N	1	0	425.529	3.042	50	0		IGAARO
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000014067931	556359728	/nfs/dbraw/zinc/35/97/28/556359728.db2.gz	CRMWMMQWNBTVLD-WIYYLYMNSA-N	1	0	445.585	3.410	50	0		IGAARO
CCS(=O)(=O)c1ncc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)n1CCc1ccccc1	ZINC000011819256	556361005	/nfs/dbraw/zinc/36/10/05/556361005.db2.gz	KWOUPRATHPAWHE-XMMPIXPASA-N	1	0	444.645	3.227	50	0		IGAARO
COc1cc(OC)c(OC)cc1C[NH+]1CCC2(C[C@H]2C(=O)N(C)Cc2cscn2)CC1	ZINC000011840463	556364814	/nfs/dbraw/zinc/36/48/14/556364814.db2.gz	QJCALTFWYMKWAI-SFHVURJKSA-N	1	0	445.585	3.430	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2nc(-c3ccccc3)n(C)c2c(NC(=O)COC)c1	ZINC000011880213	556372106	/nfs/dbraw/zinc/37/21/06/556372106.db2.gz	PDFZTIRLFWVDPJ-LJQANCHMSA-N	1	0	449.555	3.039	50	0		IGAARO
CCCC[C@H]1C[N@H+](CCC(=O)NCCc2nnc(-c3ccncc3)[nH]2)Cc2ccccc2O1	ZINC000011975926	556383144	/nfs/dbraw/zinc/38/31/44/556383144.db2.gz	ILZMOGPNBVUKLS-NRFANRHFSA-N	1	0	448.571	3.369	50	0		IGAARO
COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012073834	556396800	/nfs/dbraw/zinc/39/68/00/556396800.db2.gz	INNFYUGWKBZFPU-JOCHJYFZSA-N	1	0	428.577	3.121	50	0		IGAARO
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014535972	556423465	/nfs/dbraw/zinc/42/34/65/556423465.db2.gz	XCZQBBAVOKMJJF-OAQYLSRUSA-N	1	0	436.600	3.334	50	0		IGAARO
COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2	ZINC000014744333	556440463	/nfs/dbraw/zinc/44/04/63/556440463.db2.gz	COXLFWYCRVYWBK-QFIPXVFZSA-N	1	0	440.588	3.116	50	0		IGAARO
COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccccc2)C1	ZINC000014754187	556444419	/nfs/dbraw/zinc/44/44/19/556444419.db2.gz	IACOZPUSKNJIAD-VQTJNVASSA-N	1	0	427.520	3.055	50	0		IGAARO
C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(NC4CCN(CC(N)=O)CC4)c32)C1	ZINC000014855567	556450448	/nfs/dbraw/zinc/45/04/48/556450448.db2.gz	HSBPWNULAAHPMZ-CQSZACIVSA-N	1	0	436.585	3.240	50	0		IGAARO
COc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)n2)cc1	ZINC000028292827	556450634	/nfs/dbraw/zinc/45/06/34/556450634.db2.gz	CIZWUFIPRQAHCQ-QFIPXVFZSA-N	1	0	432.524	3.198	50	0		IGAARO
COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](CC[C@H](C)c2ccccc2)CC3)cc1	ZINC000014952234	556461175	/nfs/dbraw/zinc/46/11/75/556461175.db2.gz	JOUUTJAPTLROPK-FQEVSTJZSA-N	1	0	447.583	3.311	50	0		IGAARO
CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(-n2cnnn2)cc1	ZINC000014953408	556461182	/nfs/dbraw/zinc/46/11/82/556461182.db2.gz	WMMZCDZRFNGASE-LJQANCHMSA-N	1	0	438.963	3.342	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)CC1	ZINC000014963913	556465056	/nfs/dbraw/zinc/46/50/56/556465056.db2.gz	QDPAUELEFLIGSA-GOSISDBHSA-N	1	0	425.533	3.144	50	0		IGAARO
CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1	ZINC000015061939	556490546	/nfs/dbraw/zinc/49/05/46/556490546.db2.gz	ZMZGRCWMEUVEKV-HXUWFJFHSA-N	1	0	435.634	3.236	50	0		IGAARO
O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@H]([NH2+]CCCn1ccnc1)CC3	ZINC000015068915	556494566	/nfs/dbraw/zinc/49/45/66/556494566.db2.gz	JFBPXXBCWPESAD-GOSISDBHSA-N	1	0	437.544	3.379	50	0		IGAARO
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc1	ZINC000013164981	556497741	/nfs/dbraw/zinc/49/77/41/556497741.db2.gz	RVRGHGVPQQKBSA-FQEVSTJZSA-N	1	0	432.590	3.066	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OCC)c(OCC)c3)C2=O)cc1	ZINC000004573412	556535668	/nfs/dbraw/zinc/53/56/68/556535668.db2.gz	PJYUCXHFDNXEMP-HXUWFJFHSA-N	1	0	426.513	3.347	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1	ZINC000013624125	556536513	/nfs/dbraw/zinc/53/65/13/556536513.db2.gz	CXJMMZGCVRCONN-GOSISDBHSA-N	1	0	436.508	3.448	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21	ZINC000016010333	556573944	/nfs/dbraw/zinc/57/39/44/556573944.db2.gz	JYDJTIILAZQOPN-AJGMTHFWSA-N	1	0	435.499	3.019	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21	ZINC000016011482	556574157	/nfs/dbraw/zinc/57/41/57/556574157.db2.gz	AVVVYMFTNWVSBS-ORGXJRBJSA-N	1	0	443.425	3.286	50	0		IGAARO
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1	ZINC000034894789	556586122	/nfs/dbraw/zinc/58/61/22/556586122.db2.gz	YTOBWGCVBGZXMK-LPHOPBHVSA-N	1	0	435.615	3.344	50	0		IGAARO
Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCc4ccccc4)cc3)cc2n(C)c1=O	ZINC000016363927	556603444	/nfs/dbraw/zinc/60/34/44/556603444.db2.gz	KFALAGXYKBVOGG-RUZDIDTESA-N	1	0	431.536	3.322	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c(C)c1	ZINC000016599211	556616790	/nfs/dbraw/zinc/61/67/90/556616790.db2.gz	LIVOGJLJRWCVHF-JOCHJYFZSA-N	1	0	443.613	3.123	50	0		IGAARO
COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000016750776	556637302	/nfs/dbraw/zinc/63/73/02/556637302.db2.gz	WSZBRUGBGLBDEK-OAQYLSRUSA-N	1	0	434.492	3.385	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1	ZINC000409413105	556640406	/nfs/dbraw/zinc/64/04/06/556640406.db2.gz	CNXJGIALSSQHTK-NQIIRXRSSA-N	1	0	426.561	3.008	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2ccc(O)cc2oc1=O	ZINC000409413279	556640650	/nfs/dbraw/zinc/64/06/50/556640650.db2.gz	GZKSHOHGTGXJFB-PGRDOPGGSA-N	1	0	442.556	3.089	50	0		IGAARO
Cc1nc2ccccc2n(Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)c1=O	ZINC000033005835	556655009	/nfs/dbraw/zinc/65/50/09/556655009.db2.gz	HTEUNLNJMHTPAQ-UHFFFAOYSA-N	1	0	439.519	3.111	50	0		IGAARO
Cc1nnc(C(=O)Nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)s1	ZINC000033011008	556659189	/nfs/dbraw/zinc/65/91/89/556659189.db2.gz	QZDBTQBDTOMDMS-UHFFFAOYSA-N	1	0	435.553	3.493	50	0		IGAARO
C[C@@H](CCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1)[NH+]1CCCC1	ZINC000033018606	556665562	/nfs/dbraw/zinc/66/55/62/556665562.db2.gz	PUXKRZHRMHDLDY-IBGZPJMESA-N	1	0	443.551	3.302	50	0		IGAARO
C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2Br)C1	ZINC000032937397	556689690	/nfs/dbraw/zinc/68/96/90/556689690.db2.gz	ARNYFXQTUSQSCI-OKILXGFUSA-N	1	0	428.346	3.401	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1	ZINC000019112749	556700040	/nfs/dbraw/zinc/70/00/40/556700040.db2.gz	XZXZUOVUJRGTIN-UHFFFAOYSA-N	1	0	447.938	3.454	50	0		IGAARO
O=C(CN(CCCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1	ZINC000033032680	556712888	/nfs/dbraw/zinc/71/28/88/556712888.db2.gz	XKFOCJHLXTWZPE-UHFFFAOYSA-N	1	0	433.474	3.212	50	0		IGAARO
CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000033033987	556715661	/nfs/dbraw/zinc/71/56/61/556715661.db2.gz	PYLXTVNGLLXKSM-SFHVURJKSA-N	1	0	444.601	3.042	50	0		IGAARO
COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)o1	ZINC000019229052	556717823	/nfs/dbraw/zinc/71/78/23/556717823.db2.gz	WMFXJMDAHIMTHY-UHFFFAOYSA-N	1	0	437.544	3.129	50	0		IGAARO
Cc1ccn(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1	ZINC000055308752	556739687	/nfs/dbraw/zinc/73/96/87/556739687.db2.gz	QSMWYOACRZGQHO-HXUWFJFHSA-N	1	0	435.494	3.024	50	0		IGAARO
C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F	ZINC000058145110	556761397	/nfs/dbraw/zinc/76/13/97/556761397.db2.gz	XOUXJUCVUFUJOW-UHFFFAOYSA-N	1	0	433.438	3.277	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)c(C)c2)CC1	ZINC000058156169	556762511	/nfs/dbraw/zinc/76/25/11/556762511.db2.gz	SIPZYXHAFYXCOE-LJQANCHMSA-N	1	0	436.556	3.137	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C	ZINC000061992815	556766929	/nfs/dbraw/zinc/76/69/29/556766929.db2.gz	CCINPNZGQSKDQW-MGPYLOASSA-N	1	0	428.548	3.233	50	0		IGAARO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cnc2sccn2c1=O	ZINC000058170275	556767754	/nfs/dbraw/zinc/76/77/54/556767754.db2.gz	KMJQHUQRQIJSMN-UHFFFAOYSA-N	1	0	445.548	3.331	50	0		IGAARO
O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1	ZINC000058438740	556788770	/nfs/dbraw/zinc/78/87/70/556788770.db2.gz	KKGMXCZSGOKNKU-LAUBAEHRSA-N	1	0	435.590	3.025	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1	ZINC000033062172	556817798	/nfs/dbraw/zinc/81/77/98/556817798.db2.gz	JKPYUJKQNDWLBE-CQSZACIVSA-N	1	0	435.981	3.367	50	0		IGAARO
O=C(c1nc2ccccn2c1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1)N1CCCC1	ZINC000019595135	556830659	/nfs/dbraw/zinc/83/06/59/556830659.db2.gz	RJDBSPUPBVHURU-QHCPKHFHSA-N	1	0	443.595	3.245	50	0		IGAARO
Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Br)c2)cc1	ZINC000065314937	556833213	/nfs/dbraw/zinc/83/32/13/556833213.db2.gz	AAUSTODOTJFDRA-UHFFFAOYSA-N	1	0	444.373	3.222	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000033254689	556891104	/nfs/dbraw/zinc/89/11/04/556891104.db2.gz	PGXGOLQXWCGIDO-QGZVFWFLSA-N	1	0	442.025	3.121	50	0		IGAARO
COc1ccc(OC)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1	ZINC000019789697	556914539	/nfs/dbraw/zinc/91/45/39/556914539.db2.gz	RGKWZGIEGKYJJZ-QFIPXVFZSA-N	1	0	428.573	3.398	50	0		IGAARO
COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CC[NH+](C)CC3)no2)cc1	ZINC000019796751	556916317	/nfs/dbraw/zinc/91/63/17/556916317.db2.gz	IUGBUWYBQQXACL-QHCPKHFHSA-N	1	0	434.540	3.377	50	0		IGAARO
COc1ccc(CN2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)c(F)c1	ZINC000019840296	556929406	/nfs/dbraw/zinc/92/94/06/556929406.db2.gz	IVCAATFGESQDBW-QHCPKHFHSA-N	1	0	427.564	3.372	50	0		IGAARO
Cc1csc2nc(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)cc(=O)n12	ZINC000048287439	557053253	/nfs/dbraw/zinc/05/32/53/557053253.db2.gz	NVZLNISDDRQEKM-UHFFFAOYSA-N	1	0	432.933	3.274	50	0		IGAARO
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1	ZINC000022938398	557053331	/nfs/dbraw/zinc/05/33/31/557053331.db2.gz	HICYSVHGBUOQDO-UHFFFAOYSA-N	1	0	442.560	3.242	50	0		IGAARO
COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1Cl	ZINC000022942552	557053945	/nfs/dbraw/zinc/05/39/45/557053945.db2.gz	GBIYEUULEBBJHE-UHFFFAOYSA-N	1	0	443.769	3.362	50	0		IGAARO
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000048312342	557066891	/nfs/dbraw/zinc/06/68/91/557066891.db2.gz	ARVIXCXXBMVDRL-MRXNPFEDSA-N	1	0	427.854	3.301	50	0		IGAARO
O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000048375402	557076397	/nfs/dbraw/zinc/07/63/97/557076397.db2.gz	OCNGHOQULFYHNF-UHFFFAOYSA-N	1	0	432.446	3.299	50	0		IGAARO
C[NH+]1CCN(c2ccc(CNC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)cn2)CC1	ZINC000023318756	557083716	/nfs/dbraw/zinc/08/37/16/557083716.db2.gz	CJFKXMZWLNAOQY-UHFFFAOYSA-N	1	0	442.523	3.209	50	0		IGAARO
CC[NH+](CC)CCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1	ZINC000049006510	557085092	/nfs/dbraw/zinc/08/50/92/557085092.db2.gz	HXPRVFPRNPZNBJ-UHFFFAOYSA-N	1	0	448.571	3.473	50	0		IGAARO
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CC)ccc2c1=O	ZINC000004791302	557124790	/nfs/dbraw/zinc/12/47/90/557124790.db2.gz	UUDSVGVRSZZJNH-LJQANCHMSA-N	1	0	428.577	3.264	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000023977669	557128964	/nfs/dbraw/zinc/12/89/64/557128964.db2.gz	SBMCBBHATIAEOF-FQEVSTJZSA-N	1	0	425.960	3.469	50	0		IGAARO
Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)s1	ZINC000091746463	557142811	/nfs/dbraw/zinc/14/28/11/557142811.db2.gz	RWRFBFINURODJQ-NRFANRHFSA-N	1	0	426.630	3.487	50	0		IGAARO
C[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)c1ccc2c(c1)CCCC2	ZINC000027780147	557273803	/nfs/dbraw/zinc/27/38/03/557273803.db2.gz	FJBYTMKIPVRSAE-OAHLLOKOSA-N	1	0	425.495	3.133	50	0		IGAARO
COc1cc(C[NH2+]CCCOc2ccccn2)ccc1Oc1nnnn1-c1ccccc1	ZINC000113396395	557373254	/nfs/dbraw/zinc/37/32/54/557373254.db2.gz	DOFCVBIMQIVGRV-UHFFFAOYSA-N	1	0	432.484	3.417	50	0		IGAARO
COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1	ZINC000024022622	557391277	/nfs/dbraw/zinc/39/12/77/557391277.db2.gz	MVXZDKQNQDKSQJ-RUZDIDTESA-N	1	0	433.552	3.256	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000105018830	557473132	/nfs/dbraw/zinc/47/31/32/557473132.db2.gz	CSRKWIDSKPXGCA-UPVQGACJSA-N	1	0	440.584	3.341	50	0		IGAARO
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2)C1	ZINC000105126943	557476122	/nfs/dbraw/zinc/47/61/22/557476122.db2.gz	GZQCLGVCFDRLAR-PGRDOPGGSA-N	1	0	429.586	3.140	50	0		IGAARO
O=C1C=C(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1	ZINC000025183391	557529072	/nfs/dbraw/zinc/52/90/72/557529072.db2.gz	XSBZMRBQWLYAKL-UHFFFAOYSA-N	1	0	442.922	3.038	50	0		IGAARO
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1	ZINC000225413658	557720033	/nfs/dbraw/zinc/72/00/33/557720033.db2.gz	OPKMJZVMMJJLOR-APWZRJJASA-N	1	0	443.585	3.071	50	0		IGAARO
COc1ccccc1N1CC[C@@H](C)[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000225614010	557752148	/nfs/dbraw/zinc/75/21/48/557752148.db2.gz	RORCLUFFRQWGFO-LJQANCHMSA-N	1	0	432.586	3.468	50	0		IGAARO
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1	ZINC000024981322	557819474	/nfs/dbraw/zinc/81/94/74/557819474.db2.gz	KHXHWWKMZVPYFR-HSZRJFAPSA-N	1	0	443.613	3.079	50	0		IGAARO
O=C(C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1)c1ccco1	ZINC000012429540	557838754	/nfs/dbraw/zinc/83/87/54/557838754.db2.gz	PSXINAGKSNTSOR-HSZRJFAPSA-N	1	0	436.552	3.349	50	0		IGAARO
CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2C[C@H]1C	ZINC000241124268	557846030	/nfs/dbraw/zinc/84/60/30/557846030.db2.gz	JGVCXIXACNVMLQ-OXQOHEQNSA-N	1	0	425.554	3.157	50	0		IGAARO
C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C2=O	ZINC000004167166	562942473	/nfs/dbraw/zinc/94/24/73/562942473.db2.gz	RNIRNQSBSOEUSI-NXMSCROESA-N	1	0	444.576	3.060	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1	ZINC000006577574	562947715	/nfs/dbraw/zinc/94/77/15/562947715.db2.gz	YZZJQRLOEXFJPG-UHFFFAOYSA-N	1	0	443.363	3.088	50	0	aggregator	IGAARO
CC[NH+](CC)CCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1	ZINC000008590976	562951920	/nfs/dbraw/zinc/95/19/20/562951920.db2.gz	ICBMIEKVUGWAAM-UHFFFAOYSA-N	1	0	444.580	3.271	50	0		IGAARO
COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)CC2)c1	ZINC000248094061	568633974	/nfs/dbraw/zinc/63/39/74/568633974.db2.gz	WRASQHLZXUDVHG-FQEVSTJZSA-N	1	0	447.583	3.143	50	0		IGAARO
CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1	ZINC000248156310	568634123	/nfs/dbraw/zinc/63/41/23/568634123.db2.gz	VTVFSLGSHRFIAC-LJQANCHMSA-N	1	0	435.547	3.151	50	0		IGAARO
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cn3c(C)csc3n2)cc1	ZINC000299766522	568756454	/nfs/dbraw/zinc/75/64/54/568756454.db2.gz	DSJJIZMQSSGMED-IBGZPJMESA-N	1	0	426.542	3.162	50	0		IGAARO
COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3cn4ccsc4n3)C2)cc1	ZINC000299803142	568758148	/nfs/dbraw/zinc/75/81/48/568758148.db2.gz	YCXWBORLEDCSNC-QUCCMNQESA-N	1	0	438.553	3.309	50	0		IGAARO
CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000058931776	568758519	/nfs/dbraw/zinc/75/85/19/568758519.db2.gz	ZIDZPUHTHOLVPO-UHFFFAOYSA-N	1	0	434.558	3.047	50	0		IGAARO
O=C(c1nnn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12)N1CC[NH+](C2CCCCC2)CC1	ZINC000263615783	568776175	/nfs/dbraw/zinc/77/61/75/568776175.db2.gz	FEYDNICTTWOURR-UHFFFAOYSA-N	1	0	440.935	3.241	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1	ZINC000032106074	568781241	/nfs/dbraw/zinc/78/12/41/568781241.db2.gz	XUPPVXHPISOFNE-HXUWFJFHSA-N	1	0	425.960	3.469	50	0		IGAARO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)C1	ZINC000015677884	568805044	/nfs/dbraw/zinc/80/50/44/568805044.db2.gz	QXCWTGWPKGMWST-SELNLUPBSA-N	1	0	436.556	3.033	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)c1	ZINC000015973029	568861513	/nfs/dbraw/zinc/86/15/13/568861513.db2.gz	FQPBDXQOOCIIQC-XTCJLCLGSA-N	1	0	429.904	3.450	50	0		IGAARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015996780	568862084	/nfs/dbraw/zinc/86/20/84/568862084.db2.gz	CAJNLWNSIOWMER-BINBFKAUSA-N	1	0	449.938	3.494	50	0		IGAARO
Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1	ZINC000012983140	568894727	/nfs/dbraw/zinc/89/47/27/568894727.db2.gz	WTJCRIDEWKVVEG-IBGZPJMESA-N	1	0	427.549	3.491	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000524729100	568903663	/nfs/dbraw/zinc/90/36/63/568903663.db2.gz	CNERGUVGRNBIAY-ILWGZMRPSA-N	1	0	440.588	3.348	50	0		IGAARO
CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	ZINC000245245615	568913329	/nfs/dbraw/zinc/91/33/29/568913329.db2.gz	FDIDDYKYJCSPRC-FCQWJQKHSA-N	1	0	441.940	3.018	50	0		IGAARO
Cc1cc(Br)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c(Br)c1	ZINC000002649676	568918056	/nfs/dbraw/zinc/91/80/56/568918056.db2.gz	OVKLPWZFYRIHOJ-UHFFFAOYSA-N	1	0	447.156	3.205	50	0		IGAARO
COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)cc1OC	ZINC000036095880	568951647	/nfs/dbraw/zinc/95/16/47/568951647.db2.gz	GLHUXRIDXQZGTB-FQEVSTJZSA-N	1	0	431.529	3.468	50	0		IGAARO
CCCC(=O)OC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCCC1	ZINC000036159099	568966989	/nfs/dbraw/zinc/96/69/89/568966989.db2.gz	PJNNFYFRSNUAFC-INIZCTEOSA-N	1	0	447.601	3.312	50	0		IGAARO
COc1cc(-c2noc([C@@H]([NH2+]C[C@@H](O)COCC(C)C)C(C)C)n2)cc(OC)c1OC	ZINC000036160552	568967380	/nfs/dbraw/zinc/96/73/80/568967380.db2.gz	HBBWLOWJFIBYLK-APWZRJJASA-N	1	0	437.537	3.083	50	0		IGAARO
CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC	ZINC000036309392	568995988	/nfs/dbraw/zinc/99/59/88/568995988.db2.gz	HOORLYAXGUIDQJ-CTNGQTDRSA-N	1	0	446.613	3.199	50	0		IGAARO
COC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(C)cc2)CC1	ZINC000036340533	569078886	/nfs/dbraw/zinc/07/88/86/569078886.db2.gz	DMSILUSINPJYAA-DEOSSOPVSA-N	1	0	446.595	3.481	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O	ZINC000065172570	569113240	/nfs/dbraw/zinc/11/32/40/569113240.db2.gz	ASZVEJGCYOVWFQ-IBGZPJMESA-N	1	0	445.567	3.297	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O	ZINC000065172569	569113290	/nfs/dbraw/zinc/11/32/90/569113290.db2.gz	ASZVEJGCYOVWFQ-LJQANCHMSA-N	1	0	445.567	3.297	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1	ZINC000065228038	569117638	/nfs/dbraw/zinc/11/76/38/569117638.db2.gz	DENCYUZTECPEPL-IBGZPJMESA-N	1	0	438.576	3.218	50	0		IGAARO
O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)N1CCC[C@H](C[NH+]2CCCC2)C1	ZINC000065245367	569121713	/nfs/dbraw/zinc/12/17/13/569121713.db2.gz	GXJPCBLXRPHJMO-LEWJYISDSA-N	1	0	440.636	3.382	50	0		IGAARO
COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1OC	ZINC000065255952	569122975	/nfs/dbraw/zinc/12/29/75/569122975.db2.gz	NAQBWXNGFQXKRL-OAQYLSRUSA-N	1	0	432.524	3.180	50	0		IGAARO
COc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)c(OC)c1	ZINC000065255932	569122983	/nfs/dbraw/zinc/12/29/83/569122983.db2.gz	LFXKLSCUNOWEBE-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065256154	569123267	/nfs/dbraw/zinc/12/32/67/569123267.db2.gz	WFQSGOQRVGNJOB-DEOSSOPVSA-N	1	0	445.542	3.334	50	0		IGAARO
Cc1noc(-c2cncnc2NCCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)n1	ZINC000240122569	569140705	/nfs/dbraw/zinc/14/07/05/569140705.db2.gz	WDCXYNOIKYVEDJ-UHFFFAOYSA-N	1	0	427.940	3.421	50	0		IGAARO
CCOCCCC(=O)OC[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1COC(=O)CCCOCC	ZINC000089986898	569169991	/nfs/dbraw/zinc/16/99/91/569169991.db2.gz	SRYZAWZGCOWURI-DHIUTWEWSA-N	1	0	449.588	3.454	50	0		IGAARO
CC(=O)N(CCC(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1)Cc1ccccc1	ZINC000170636116	569177671	/nfs/dbraw/zinc/17/76/71/569177671.db2.gz	SHWDFKGCDWQISM-UHFFFAOYSA-N	1	0	433.556	3.082	50	0		IGAARO
CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1	ZINC000252515791	569189213	/nfs/dbraw/zinc/18/92/13/569189213.db2.gz	NONATOUIECKAPG-WOJBJXKFSA-N	1	0	433.474	3.315	50	0		IGAARO
C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1	ZINC000252571508	569191136	/nfs/dbraw/zinc/19/11/36/569191136.db2.gz	YBVPPAKNYCYABQ-VLCRHTCISA-N	1	0	445.604	3.447	50	0		IGAARO
O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1)C1CCC1	ZINC000037525402	569198989	/nfs/dbraw/zinc/19/89/89/569198989.db2.gz	SINAPWXCFOVZOK-UHFFFAOYSA-N	1	0	438.616	3.272	50	0		IGAARO
CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1	ZINC000581819694	569211416	/nfs/dbraw/zinc/21/14/16/569211416.db2.gz	CGYMMWMFYAOCFW-HSZRJFAPSA-N	1	0	431.596	3.182	50	0		IGAARO
CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2=O)cc1	ZINC000253410425	569265747	/nfs/dbraw/zinc/26/57/47/569265747.db2.gz	NIIYAGOWCIKFTN-ILWGZMRPSA-N	1	0	440.588	3.396	50	0		IGAARO
CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	ZINC000328592177	569317193	/nfs/dbraw/zinc/31/71/93/569317193.db2.gz	IMJKKKFFUXCIKW-IBGZPJMESA-N	1	0	426.586	3.449	50	0		IGAARO
CCN1CC[NH+](C[C@@H](C)CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000078808633	569319113	/nfs/dbraw/zinc/31/91/13/569319113.db2.gz	JVSNHOKNPMXANY-KRWDZBQOSA-N	1	0	433.984	3.103	50	0		IGAARO
Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)nc1	ZINC000095449142	569367606	/nfs/dbraw/zinc/36/76/06/569367606.db2.gz	WZTRJZXDKBUAQI-UHFFFAOYSA-N	1	0	425.533	3.405	50	0		IGAARO
CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1	ZINC000095451695	569367876	/nfs/dbraw/zinc/36/78/76/569367876.db2.gz	PVQHRWGKOIAPBW-YKSBVNFPSA-N	1	0	437.625	3.421	50	0		IGAARO
C[NH+]1CCN(C[C@@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)c2ccccc2)CC1	ZINC000095455039	569368531	/nfs/dbraw/zinc/36/85/31/569368531.db2.gz	IPZJZBGUIZOTFK-LJQANCHMSA-N	1	0	448.539	3.045	50	0		IGAARO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2cccc(Cl)c2)cc1	ZINC000095481685	569374031	/nfs/dbraw/zinc/37/40/31/569374031.db2.gz	COBVBDGUQXMECY-UHFFFAOYSA-N	1	0	435.977	3.054	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000095941090	569375435	/nfs/dbraw/zinc/37/54/35/569375435.db2.gz	INYXXHADLGIQAP-HSALFYBXSA-N	1	0	447.576	3.278	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1	ZINC000095947237	569376446	/nfs/dbraw/zinc/37/64/46/569376446.db2.gz	KYEWLNMCNVWEKF-SIKLNZKXSA-N	1	0	425.504	3.076	50	0		IGAARO
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000095995534	569378604	/nfs/dbraw/zinc/37/86/04/569378604.db2.gz	PIAUIOSBDHZARI-ICSRJNTNSA-N	1	0	437.606	3.254	50	0		IGAARO
CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O	ZINC000095995134	569378645	/nfs/dbraw/zinc/37/86/45/569378645.db2.gz	YDYOORRNCVKOJW-KSEOMHKRSA-N	1	0	435.568	3.465	50	0		IGAARO
Brc1ccc([C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ccco2)cc1	ZINC000095996268	569378787	/nfs/dbraw/zinc/37/87/87/569378787.db2.gz	AUXAODPUCOYIMH-QFUCXCTJSA-N	1	0	435.362	3.458	50	0		IGAARO
COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NC[C@H]3CCCO3)CC2)ccc1O	ZINC000096281660	569390047	/nfs/dbraw/zinc/39/00/47/569390047.db2.gz	JOOGEVFJGAWRRG-HXUWFJFHSA-N	1	0	439.556	3.393	50	0		IGAARO
CC(C)(C)NC(=O)CN1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000028889910	569423236	/nfs/dbraw/zinc/42/32/36/569423236.db2.gz	DEXXLCIIVKMWOM-UHFFFAOYSA-N	1	0	429.392	3.244	50	0		IGAARO
Cc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000056896341	569427446	/nfs/dbraw/zinc/42/74/46/569427446.db2.gz	PZYGLSHXUGZHRJ-XMMPIXPASA-N	1	0	436.581	3.232	50	0		IGAARO
COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1	ZINC000057120740	569429521	/nfs/dbraw/zinc/42/95/21/569429521.db2.gz	UEEABXBFNGWRPO-REDKUUPNSA-N	1	0	429.517	3.352	50	0		IGAARO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(-n2cnnn2)c1	ZINC000057373750	569432586	/nfs/dbraw/zinc/43/25/86/569432586.db2.gz	AUTSHFFYOQEKSE-UHFFFAOYSA-N	1	0	439.523	3.237	50	0		IGAARO
CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2	ZINC000230089042	569434264	/nfs/dbraw/zinc/43/42/64/569434264.db2.gz	PPXYOHXTTKWUHJ-FCHUYYIVSA-N	1	0	445.604	3.007	50	0		IGAARO
CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@@H](OCC)C12CCCCC2	ZINC000230160388	569439766	/nfs/dbraw/zinc/43/97/66/569439766.db2.gz	JXKHJAIEPFCSNA-VQTJNVASSA-N	1	0	437.606	3.112	50	0		IGAARO
C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1	ZINC000029954469	569439815	/nfs/dbraw/zinc/43/98/15/569439815.db2.gz	BJCNFIQCXQSZOV-VQIMIIECSA-N	1	0	430.346	3.221	50	0		IGAARO
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3c(Cl)cccc3S(C)(=O)=O)C[C@H]21	ZINC000230216118	569440125	/nfs/dbraw/zinc/44/01/25/569440125.db2.gz	MOLUFXUUTZOSTR-JJRVBVJISA-N	1	0	428.982	3.479	50	0		IGAARO
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3c(Cl)cccc3S(C)(=O)=O)C[C@@H]12	ZINC000230216112	569440140	/nfs/dbraw/zinc/44/01/40/569440140.db2.gz	MOLUFXUUTZOSTR-CKEIUWERSA-N	1	0	428.982	3.479	50	0		IGAARO
COCC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C1CCCC1	ZINC000058159289	569449080	/nfs/dbraw/zinc/44/90/80/569449080.db2.gz	KXTUUZIDYDLLKP-UHFFFAOYSA-N	1	0	445.585	3.341	50	0		IGAARO
C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCCOC)c(=O)cc21	ZINC000004029278	569458288	/nfs/dbraw/zinc/45/82/88/569458288.db2.gz	DUSNIGVIQIKKET-SFHVURJKSA-N	1	0	428.529	3.395	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1	ZINC000007990218	569462089	/nfs/dbraw/zinc/46/20/89/569462089.db2.gz	GHNZKWPRVYSLAJ-UHFFFAOYSA-N	1	0	430.014	3.365	50	0		IGAARO
CCNc1cc(NCCNS(=O)(=O)c2ccc(-c3csc(C)n3)s2)nc(C)[nH+]1	ZINC000038488319	569463021	/nfs/dbraw/zinc/46/30/21/569463021.db2.gz	JKQBRRRAMQAHTG-UHFFFAOYSA-N	1	0	438.604	3.101	50	0		IGAARO
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(Cl)cc4)n3)c(C)n2)CC1	ZINC000039383773	569481572	/nfs/dbraw/zinc/48/15/72/569481572.db2.gz	VJFHMVMOTAEUCF-UHFFFAOYSA-N	1	0	425.924	3.074	50	0		IGAARO
C[NH+](C)CCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000039404155	569481595	/nfs/dbraw/zinc/48/15/95/569481595.db2.gz	ZMGJXZALOLBUSM-UHFFFAOYSA-N	1	0	443.525	3.309	50	0		IGAARO
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1	ZINC000008881970	569482952	/nfs/dbraw/zinc/48/29/52/569482952.db2.gz	SEKUOQYSZHGHJK-UHFFFAOYSA-N	1	0	441.597	3.071	50	0		IGAARO
CC[NH+](CC)CCNC(=O)C1CCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)CC1	ZINC000009117298	569503112	/nfs/dbraw/zinc/50/31/12/569503112.db2.gz	MJLVSOHTPUSAPF-UHFFFAOYSA-N	1	0	440.617	3.441	50	0		IGAARO
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2	ZINC000069879951	569522640	/nfs/dbraw/zinc/52/26/40/569522640.db2.gz	WOHBTLZGHJOZPS-OAQYLSRUSA-N	1	0	449.530	3.182	50	0		IGAARO
CCC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C	ZINC000009336781	569523470	/nfs/dbraw/zinc/52/34/70/569523470.db2.gz	IVQGHNQSJFCXKW-UHFFFAOYSA-N	1	0	425.595	3.365	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2cccs2)CC1	ZINC000009468240	569538597	/nfs/dbraw/zinc/53/85/97/569538597.db2.gz	RFMNFSSVSDLATM-IBGZPJMESA-N	1	0	435.615	3.201	50	0		IGAARO
O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	ZINC000009478535	569539392	/nfs/dbraw/zinc/53/93/92/569539392.db2.gz	AOVXLKFCLQDBIE-VQTJNVASSA-N	1	0	446.551	3.025	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	ZINC000009585198	569549478	/nfs/dbraw/zinc/54/94/78/569549478.db2.gz	ALCUAPVCBGUSCX-FQEVSTJZSA-N	1	0	436.556	3.058	50	0		IGAARO
C[NH+](C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccc(Cl)cc2s1	ZINC000009603891	569551873	/nfs/dbraw/zinc/55/18/73/569551873.db2.gz	HRVPOXZOXYCLNP-UHFFFAOYSA-N	1	0	442.928	3.141	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)Cc1ccccc1	ZINC000009670593	569558317	/nfs/dbraw/zinc/55/83/17/569558317.db2.gz	GGMXFHBJCPXZKY-OAQYLSRUSA-N	1	0	426.520	3.288	50	0		IGAARO
COC(=O)c1sc(NC(=O)CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)OC)c1C	ZINC000009957594	569574813	/nfs/dbraw/zinc/57/48/13/569574813.db2.gz	OUNBWQSOXFSIIZ-LLVKDONJSA-N	1	0	436.452	3.233	50	0		IGAARO
C[C@@H]1C[N@@H+](CCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@H](C)O1	ZINC000071850946	569582443	/nfs/dbraw/zinc/58/24/43/569582443.db2.gz	JYBVUDKOVSMKME-CALCHBBNSA-N	1	0	425.558	3.225	50	0		IGAARO
C[C@H]1C[NH+](CCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@H](C)O1	ZINC000071850948	569582476	/nfs/dbraw/zinc/58/24/76/569582476.db2.gz	JYBVUDKOVSMKME-IRXDYDNUSA-N	1	0	425.558	3.225	50	0		IGAARO
O=C(C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCN(c2ccccc2F)CC1	ZINC000001179451	132238628	/nfs/dbraw/zinc/23/86/28/132238628.db2.gz	XAFKOKXRZDJPJQ-UHFFFAOYSA-N	1	0	425.504	3.115	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(Cc2cccc(Cl)c2)o1	ZINC000009561239	132321499	/nfs/dbraw/zinc/32/14/99/132321499.db2.gz	WMBLTKSEGPZHPF-UHFFFAOYSA-N	1	0	439.947	3.256	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	ZINC000011723158	132339393	/nfs/dbraw/zinc/33/93/93/132339393.db2.gz	UITLYPVXQJSTGK-UHFFFAOYSA-N	1	0	433.556	3.102	50	0		IGAARO
CC(C)[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccc(Cl)cc2)C1	ZINC000020598725	519738706	/nfs/dbraw/zinc/73/87/06/519738706.db2.gz	PDOPAADJAWGLRI-SFTDATJTSA-N	1	0	443.975	3.369	50	0		IGAARO
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC[NH+](C(C)C)C(C)C	ZINC000012794783	519821286	/nfs/dbraw/zinc/82/12/86/519821286.db2.gz	XCJIXMYKEJHRCN-QFIPXVFZSA-N	1	0	433.618	3.378	50	0		IGAARO
CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000020560234	520513373	/nfs/dbraw/zinc/51/33/73/520513373.db2.gz	CKNRQAYCIWLSPY-QHCPKHFHSA-N	1	0	440.588	3.116	50	0		IGAARO
CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C	ZINC000011842150	520644027	/nfs/dbraw/zinc/64/40/27/520644027.db2.gz	OZXJDWDCIYVEHE-UHFFFAOYSA-N	1	0	436.560	3.450	50	0		IGAARO
CC[NH+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1	ZINC000021811073	520661728	/nfs/dbraw/zinc/66/17/28/520661728.db2.gz	QXIAAOSRJHJEQB-XCNDVJPKSA-N	1	0	428.577	3.486	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c2cccs2)CC1	ZINC000022681093	521035813	/nfs/dbraw/zinc/03/58/13/521035813.db2.gz	NLXRPCMNZRNKKD-HXUWFJFHSA-N	1	0	447.626	3.491	50	0		IGAARO
CCCC[C@@H]1C[N@H+](CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1	ZINC000012244944	521116283	/nfs/dbraw/zinc/11/62/83/521116283.db2.gz	ABIKKFOJLGOHTO-LJQANCHMSA-N	1	0	434.540	3.383	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC(C)(C)O4)CC1	ZINC000020560073	521682499	/nfs/dbraw/zinc/68/24/99/521682499.db2.gz	IQSYBHHZGHVOOU-QGZVFWFLSA-N	1	0	429.561	3.093	50	0		IGAARO
CC[NH+]1CCN(CCOc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)CC1	ZINC000020622777	521684183	/nfs/dbraw/zinc/68/41/83/521684183.db2.gz	CTSPJDZFMKPMIQ-UHFFFAOYSA-N	1	0	438.524	3.494	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)c(C)c2)CC1	ZINC000012736032	521698024	/nfs/dbraw/zinc/69/80/24/521698024.db2.gz	CKOWDUBZXSWVGW-UHFFFAOYSA-N	1	0	429.609	3.488	50	0		IGAARO
COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@H+](Cc1c[nH]c3ccccc13)CC2	ZINC000020600187	521775426	/nfs/dbraw/zinc/77/54/26/521775426.db2.gz	ASMPZANJPWVMQN-UHFFFAOYSA-N	1	0	435.524	3.496	50	0		IGAARO
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CC[N@@H+](Cc1ccccc1)CC2	ZINC000020598646	522014919	/nfs/dbraw/zinc/01/49/19/522014919.db2.gz	BOXVCVABTQNJTL-GOSISDBHSA-N	1	0	435.524	3.341	50	0		IGAARO
COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012092816	522354707	/nfs/dbraw/zinc/35/47/07/522354707.db2.gz	PCDASUHQETUXRR-FQEVSTJZSA-N	1	0	432.565	3.023	50	0		IGAARO
COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012432174	522357189	/nfs/dbraw/zinc/35/71/89/522357189.db2.gz	IPPWDRCSJAXJLS-JOCHJYFZSA-N	1	0	430.593	3.067	50	0		IGAARO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1	ZINC000016214874	522456355	/nfs/dbraw/zinc/45/63/55/522456355.db2.gz	TXOOSCLTQWWJTQ-UHFFFAOYSA-N	1	0	426.538	3.254	50	0		IGAARO
COc1ccc(-n2nc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1	ZINC000020804982	523343994	/nfs/dbraw/zinc/34/39/94/523343994.db2.gz	LHWCEYJRVJVWQR-OALUTQOASA-N	1	0	448.567	3.492	50	0		IGAARO
COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC	ZINC000020908685	523775817	/nfs/dbraw/zinc/77/58/17/523775817.db2.gz	VBSSJVPIYVKBRA-GOSISDBHSA-N	1	0	435.524	3.239	50	0		IGAARO
COCC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1	ZINC000020511990	523857155	/nfs/dbraw/zinc/85/71/55/523857155.db2.gz	SHIFVXBYRAJPMA-UHFFFAOYSA-N	1	0	434.540	3.091	50	0		IGAARO
COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1	ZINC000012449385	524028778	/nfs/dbraw/zinc/02/87/78/524028778.db2.gz	BMCIPXTWFYIZMK-NRFANRHFSA-N	1	0	435.528	3.183	50	0		IGAARO
Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(S(=O)(=O)N(C)C)c1C	ZINC000012760663	524104125	/nfs/dbraw/zinc/10/41/25/524104125.db2.gz	YXYJMAWHNDXVQO-UHFFFAOYSA-N	1	0	429.586	3.080	50	0		IGAARO
C[C@@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000035459850	524187510	/nfs/dbraw/zinc/18/75/10/524187510.db2.gz	UEMWTYWHTUREFA-OAHLLOKOSA-N	1	0	448.054	3.040	50	0		IGAARO
CSc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CC2=O)cc1	ZINC000012751105	526023140	/nfs/dbraw/zinc/02/31/40/526023140.db2.gz	QIRVRDSQASGGKH-GOSISDBHSA-N	1	0	438.597	3.460	50	0		IGAARO
Cc1cc(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc(C)n1	ZINC000012471411	526238592	/nfs/dbraw/zinc/23/85/92/526238592.db2.gz	MMLQNRDVDBRUBF-HSZRJFAPSA-N	1	0	449.599	3.117	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]CCc3cccc(F)c3)CC2)cc1)N1CCC[C@@H](O)C1	ZINC000012243326	526698429	/nfs/dbraw/zinc/69/84/29/526698429.db2.gz	WIUWBCMTRXBIQS-XMMPIXPASA-N	1	0	425.548	3.224	50	0		IGAARO
O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022785588	526950077	/nfs/dbraw/zinc/95/00/77/526950077.db2.gz	MBXMUUKINXUNMI-UHFFFAOYSA-N	1	0	446.551	3.085	50	0		IGAARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	ZINC000012788089	527047200	/nfs/dbraw/zinc/04/72/00/527047200.db2.gz	HBZGWAFVLCIUDF-QFIPXVFZSA-N	1	0	439.515	3.487	50	0		IGAARO
O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCCC[NH+]1CCCC1	ZINC000033011547	527082309	/nfs/dbraw/zinc/08/23/09/527082309.db2.gz	ZEPVTNGKJKVQIP-UHFFFAOYSA-N	1	0	439.994	3.138	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000040744513	527580894	/nfs/dbraw/zinc/58/08/94/527580894.db2.gz	ASRRCRONUXVSGX-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000035398024	527664857	/nfs/dbraw/zinc/66/48/57/527664857.db2.gz	WKZWDHDGIZEGQD-FQEVSTJZSA-N	1	0	425.552	3.491	50	0		IGAARO
CCCCC[n+]1cccc(C(=O)N2c3c(=O)[nH]c(NC(=O)C(C)C)nc3N[C@H](C)[C@H]2C)c1	ZINC000008384367	535141015	/nfs/dbraw/zinc/14/10/15/535141015.db2.gz	PCFDDQPDTVFYPT-HZPDHXFCSA-O	1	0	441.556	3.104	50	0		IGAARO
COc1cccc(C[NH+]2CCC(NC(=O)c3nccnc3NC(=O)c3ccccc3)CC2)c1	ZINC000034716987	555866750	/nfs/dbraw/zinc/86/67/50/555866750.db2.gz	DDOMCDBTHZEXNH-UHFFFAOYSA-N	1	0	445.523	3.132	50	0		IGAARO
CCCC(=O)N(CCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1	ZINC000034831830	555912644	/nfs/dbraw/zinc/91/26/44/555912644.db2.gz	CWQQQHDNGZQFGY-UHFFFAOYSA-N	1	0	445.583	3.237	50	0		IGAARO
COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccc(F)cc1	ZINC000009449066	556292381	/nfs/dbraw/zinc/29/23/81/556292381.db2.gz	QKKQRYFSIPXODK-UHFFFAOYSA-N	1	0	437.928	3.472	50	0		IGAARO
COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1Oc1nnnn1-c1ccccc1	ZINC000013845285	556318854	/nfs/dbraw/zinc/31/88/54/556318854.db2.gz	IEAMGZUXCWYAQC-UHFFFAOYSA-N	1	0	431.452	3.482	50	0		IGAARO
C[NH+]1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1	ZINC000022923766	556341873	/nfs/dbraw/zinc/34/18/73/556341873.db2.gz	LFKJXJSGDYOLDV-UHFFFAOYSA-N	1	0	425.964	3.110	50	0		IGAARO
CCN(CCn1cccn1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000011821425	556362758	/nfs/dbraw/zinc/36/27/58/556362758.db2.gz	UZALLYSJKZWVOC-UHFFFAOYSA-N	1	0	433.556	3.484	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)c(Cl)c1	ZINC000011944239	556379978	/nfs/dbraw/zinc/37/99/78/556379978.db2.gz	FTTUYWRSIJCAOE-UHFFFAOYSA-N	1	0	448.947	3.474	50	0		IGAARO
COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000014198663	556390030	/nfs/dbraw/zinc/39/00/30/556390030.db2.gz	AGBWZSZIOIQSLL-IAGOWNOFSA-N	1	0	433.574	3.240	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC	ZINC000012054810	556393773	/nfs/dbraw/zinc/39/37/73/556393773.db2.gz	GHQNIXCSBHSDCU-FQEVSTJZSA-N	1	0	432.586	3.340	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O	ZINC000014531350	556420672	/nfs/dbraw/zinc/42/06/72/556420672.db2.gz	WZORCDNYRZARDK-QFIPXVFZSA-N	1	0	425.573	3.331	50	0		IGAARO
Cc1c(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)cnn1C	ZINC000014533256	556421968	/nfs/dbraw/zinc/42/19/68/556421968.db2.gz	YCBMUGQXUSWGKE-UHFFFAOYSA-N	1	0	431.540	3.311	50	0		IGAARO
COc1ccc(/C=C/C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1	ZINC000014535229	556422732	/nfs/dbraw/zinc/42/27/32/556422732.db2.gz	ASBDUFSVGVLSNJ-HWKANZROSA-N	1	0	448.567	3.465	50	0		IGAARO
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C3CCOCC3)CC2)N1CCc1ccccc1	ZINC000014539536	556424962	/nfs/dbraw/zinc/42/49/62/556424962.db2.gz	NCOSJVONLSVAKC-UHFFFAOYSA-N	1	0	448.567	3.102	50	0		IGAARO
Cc1ccc(CCC2CC[NH+]([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1	ZINC000012983108	556425490	/nfs/dbraw/zinc/42/54/90/556425490.db2.gz	NKCZVUXZGONUHW-GOSISDBHSA-N	1	0	429.586	3.314	50	0		IGAARO
C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2	ZINC000012995956	556431158	/nfs/dbraw/zinc/43/11/58/556431158.db2.gz	OMVHIEBQLQNSQR-MBSDFSHPSA-N	1	0	426.582	3.436	50	0		IGAARO
CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21	ZINC000022936142	556438152	/nfs/dbraw/zinc/43/81/52/556438152.db2.gz	VCJOUCHWQJKPPG-UHFFFAOYSA-N	1	0	441.963	3.475	50	0		IGAARO
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCO)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1	ZINC000014744654	556440476	/nfs/dbraw/zinc/44/04/76/556440476.db2.gz	QQJWSWDQWGOPHE-XUZZJYLKSA-N	1	0	433.552	3.169	50	0		IGAARO
CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc3ncccc3c1)CC2	ZINC000014745212	556440634	/nfs/dbraw/zinc/44/06/34/556440634.db2.gz	VUKHQEUNPIRZOK-UHFFFAOYSA-N	1	0	443.551	3.491	50	0		IGAARO
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1	ZINC000028006733	556441641	/nfs/dbraw/zinc/44/16/41/556441641.db2.gz	KOQWPHWDSFKIIU-INIZCTEOSA-N	1	0	430.936	3.345	50	0		IGAARO
O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C[N@H+](Cc2ccccc2)C1	ZINC000014753372	556444507	/nfs/dbraw/zinc/44/45/07/556444507.db2.gz	IVRVLRVKLLZKTP-MZKRTTBSSA-N	1	0	439.531	3.198	50	0		IGAARO
CCc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	ZINC000014881748	556453809	/nfs/dbraw/zinc/45/38/09/556453809.db2.gz	KIJDPPWAZCKQKT-HSZRJFAPSA-N	1	0	432.572	3.421	50	0		IGAARO
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1	ZINC000013095654	556456634	/nfs/dbraw/zinc/45/66/34/556456634.db2.gz	GBDHKEBWJZHWCU-UHFFFAOYSA-N	1	0	447.601	3.369	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2cccc(Cl)c2)c1COC	ZINC000014963407	556464945	/nfs/dbraw/zinc/46/49/45/556464945.db2.gz	SNURHSCAWSCYFC-FQEVSTJZSA-N	1	0	445.991	3.413	50	0		IGAARO
Cc1c(CN2C(=O)c3cccc(N4CC[NH+](C[C@H]5CC=CCC5)CC4)c3C2=O)cnn1C	ZINC000014982337	556471381	/nfs/dbraw/zinc/47/13/81/556471381.db2.gz	AEZNUGWFYUAHBB-IBGZPJMESA-N	1	0	433.556	3.003	50	0		IGAARO
COC(=O)c1ccccc1-n1ncc(NC[C@@H](c2cccs2)[NH+](C)C)c(Cl)c1=O	ZINC000029322750	556472254	/nfs/dbraw/zinc/47/22/54/556472254.db2.gz	HGZFNBKABPKZQM-INIZCTEOSA-N	1	0	432.933	3.449	50	0		IGAARO
CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)C1	ZINC000014986461	556472694	/nfs/dbraw/zinc/47/26/94/556472694.db2.gz	HOXGGQCBXKOAPO-SFHVURJKSA-N	1	0	434.544	3.203	50	0		IGAARO
CC(=O)Nc1nc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1	ZINC000029365908	556473714	/nfs/dbraw/zinc/47/37/14/556473714.db2.gz	NAOPIOCSEMIXEX-UHFFFAOYSA-N	1	0	449.580	3.354	50	0		IGAARO
Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1	ZINC000014990255	556474305	/nfs/dbraw/zinc/47/43/05/556474305.db2.gz	PBHAXCZVSVIQAW-QFIPXVFZSA-N	1	0	433.556	3.203	50	0		IGAARO
CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC1CCN(c2ncccn2)CC1	ZINC000072289638	556484215	/nfs/dbraw/zinc/48/42/15/556484215.db2.gz	DXXNKAWNHOKMNN-JOCHJYFZSA-N	1	0	436.604	3.218	50	0		IGAARO
COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2	ZINC000015070354	556495305	/nfs/dbraw/zinc/49/53/05/556495305.db2.gz	GPDMNBHXPDCFPJ-IBGZPJMESA-N	1	0	449.555	3.342	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CSc3ccncc3)C2)cc1OC	ZINC000015077821	556499950	/nfs/dbraw/zinc/49/99/50/556499950.db2.gz	UNERVTCVAXXSIH-IBGZPJMESA-N	1	0	429.586	3.356	50	0		IGAARO
O=C(Nc1cccc(C[NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)c1)c1ccccc1Cl	ZINC000030665865	556501323	/nfs/dbraw/zinc/50/13/23/556501323.db2.gz	WXEXKFCMHZJHBU-XXBNENTESA-N	1	0	443.975	3.419	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCCO2)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000013554506	556515820	/nfs/dbraw/zinc/51/58/20/556515820.db2.gz	PJVKHLYIIQDCEK-IRZJEQJZSA-N	1	0	449.551	3.033	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1	ZINC000033318288	556560885	/nfs/dbraw/zinc/56/08/85/556560885.db2.gz	NEARWJQONMLYBX-UHFFFAOYSA-N	1	0	429.952	3.400	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C1CCCCC1	ZINC000032908444	556564815	/nfs/dbraw/zinc/56/48/15/556564815.db2.gz	QFUUMFJLRVGBTI-UHFFFAOYSA-N	1	0	447.539	3.437	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016011826	556574266	/nfs/dbraw/zinc/57/42/66/556574266.db2.gz	ZQOSVVKMAJCILD-IMIIHFCZSA-N	1	0	429.520	3.297	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016012697	556574290	/nfs/dbraw/zinc/57/42/90/556574290.db2.gz	VSEDSEJRMWHEJN-KKPNIWNPSA-N	1	0	429.520	3.297	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12	ZINC000016021067	556574952	/nfs/dbraw/zinc/57/49/52/556574952.db2.gz	RFBLFZHETQSHPX-PABYOWBDSA-N	1	0	441.890	3.056	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000016401791	556606017	/nfs/dbraw/zinc/60/60/17/556606017.db2.gz	GKEJWKZCGNAKMR-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c2cc3sccc3n21	ZINC000005109027	556636081	/nfs/dbraw/zinc/63/60/81/556636081.db2.gz	KERAKWSUCLWNLY-UHFFFAOYSA-N	1	0	429.590	3.044	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1	ZINC000409413228	556640453	/nfs/dbraw/zinc/64/04/53/556640453.db2.gz	FZNAWLRQUUNJGH-RJGXRXQPSA-N	1	0	443.636	3.049	50	0		IGAARO
CC[NH+](CC)CCOc1cc(NC(=O)c2cc(Cl)ccc2-n2cnnn2)ccc1OC	ZINC000060304839	556657143	/nfs/dbraw/zinc/65/71/43/556657143.db2.gz	HBELCMDVBWBKAB-UHFFFAOYSA-N	1	0	444.923	3.297	50	0		IGAARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000248059569	556659157	/nfs/dbraw/zinc/65/91/57/556659157.db2.gz	CRXWWJUMKFJHMV-WZONZLPQSA-N	1	0	437.609	3.473	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(SCC(=O)NCC[NH+]3CCCCCC3)s2)cc1	ZINC000033011791	556659818	/nfs/dbraw/zinc/65/98/18/556659818.db2.gz	UZQXRVFNJMRLEJ-UHFFFAOYSA-N	1	0	433.603	3.183	50	0		IGAARO
COc1ccc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)c(OC)c1C	ZINC000043040512	556660706	/nfs/dbraw/zinc/66/07/06/556660706.db2.gz	SJYAFGHDROKPEX-UHFFFAOYSA-N	1	0	429.605	3.311	50	0		IGAARO
COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1Cl	ZINC000011898784	556669526	/nfs/dbraw/zinc/66/95/26/556669526.db2.gz	QMNXVHQIGWUNBA-IBGZPJMESA-N	1	0	432.952	3.359	50	0		IGAARO
O=C(CNC(=O)c1ccccc1Br)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000033024198	556694902	/nfs/dbraw/zinc/69/49/02/556694902.db2.gz	SBVILCQZYMZHML-KRWDZBQOSA-N	1	0	434.334	3.115	50	0		IGAARO
COc1ccc(C[N@@H+]2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)c(C)c1C	ZINC000019227528	556717339	/nfs/dbraw/zinc/71/73/39/556717339.db2.gz	CMSPPSKWMRXONZ-FQEVSTJZSA-N	1	0	428.602	3.398	50	0		IGAARO
CN(Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)Cc1cccnc1	ZINC000055054631	556733023	/nfs/dbraw/zinc/73/30/23/556733023.db2.gz	PWPQJDZEAXSSHA-UHFFFAOYSA-N	1	0	446.599	3.452	50	0		IGAARO
COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000055099926	556734714	/nfs/dbraw/zinc/73/47/14/556734714.db2.gz	HHTVQZLDKSITHT-JOCHJYFZSA-N	1	0	438.572	3.201	50	0		IGAARO
C[NH+]1CCN(Cc2cccc(NC(=O)c3nnn(-c4cccc(F)c4)c3C3CC3)c2)CC1	ZINC000078718659	556735462	/nfs/dbraw/zinc/73/54/62/556735462.db2.gz	PVKSAYPMLWBEOH-UHFFFAOYSA-N	1	0	434.519	3.284	50	0		IGAARO
O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1	ZINC000055228650	556738283	/nfs/dbraw/zinc/73/82/83/556738283.db2.gz	DVENHASAJXCKAH-UHFFFAOYSA-N	1	0	434.584	3.009	50	0		IGAARO
CC(=O)N1CCC([N@H+](CC(=O)Nc2ccc(Cl)cn2)Cc2ccc3c(c2)CCO3)CC1	ZINC000058154174	556762286	/nfs/dbraw/zinc/76/22/86/556762286.db2.gz	XHOBMPRVQATLCM-UHFFFAOYSA-N	1	0	442.947	3.122	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1	ZINC000058210532	556772258	/nfs/dbraw/zinc/77/22/58/556772258.db2.gz	UYLLLJFTKUBERH-INIZCTEOSA-N	1	0	443.013	3.463	50	0		IGAARO
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1	ZINC000058264837	556776259	/nfs/dbraw/zinc/77/62/59/556776259.db2.gz	XZWKAUZWUAIKHJ-SFHVURJKSA-N	1	0	436.556	3.067	50	0		IGAARO
COc1cccc([C@H](CNC(=O)c2cc(-c3cc(OC)ccc3OC)on2)[NH+](C)C)c1	ZINC000058264848	556776488	/nfs/dbraw/zinc/77/64/88/556776488.db2.gz	VLSYOMHAIJOHPL-FQEVSTJZSA-N	1	0	425.485	3.400	50	0		IGAARO
COc1ccc(OC)c(S(=O)(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1	ZINC000059017991	556794319	/nfs/dbraw/zinc/79/43/19/556794319.db2.gz	PPVRZMJXUQHREW-QFIPXVFZSA-N	1	0	432.586	3.455	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCNC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1	ZINC000033061970	556817437	/nfs/dbraw/zinc/81/74/37/556817437.db2.gz	RJAQLTNYLMZKPM-OAHLLOKOSA-N	1	0	433.553	3.100	50	0		IGAARO
Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1N(C)S(C)(=O)=O	ZINC000065363223	556834894	/nfs/dbraw/zinc/83/48/94/556834894.db2.gz	LPDSKYFDGFFNAN-UHFFFAOYSA-N	1	0	431.558	3.116	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	ZINC000334160584	556836712	/nfs/dbraw/zinc/83/67/12/556836712.db2.gz	HXEIHKHFFOBEJW-XXBNENTESA-N	1	0	426.561	3.438	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	ZINC000334160581	556836773	/nfs/dbraw/zinc/83/67/73/556836773.db2.gz	HXEIHKHFFOBEJW-AUSIDOKSSA-N	1	0	426.561	3.438	50	0		IGAARO
CCc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[NH+]3CCCCCC3)c(C)o2)cc1	ZINC000004668483	556861818	/nfs/dbraw/zinc/86/18/18/556861818.db2.gz	QZDNACUTXRZZHL-SSEXGKCCSA-N	1	0	431.602	3.453	50	0		IGAARO
COc1cc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc(OC)c1O	ZINC000019789428	556914568	/nfs/dbraw/zinc/91/45/68/556914568.db2.gz	NZEWUNJULMLFBU-UHFFFAOYSA-N	1	0	425.573	3.192	50	0		IGAARO
CC[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)c2ccccc2)CC1	ZINC000019796747	556916254	/nfs/dbraw/zinc/91/62/54/556916254.db2.gz	GCAWMSKQYBIXQK-HSZRJFAPSA-N	1	0	434.540	3.459	50	0		IGAARO
COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)C2)nn1	ZINC000097138173	556991594	/nfs/dbraw/zinc/99/15/94/556991594.db2.gz	AFAOAPNTATWMIU-OAQYLSRUSA-N	1	0	428.496	3.364	50	0		IGAARO
NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccccc1C[NH+]1CCCCC1	ZINC000077010942	556995653	/nfs/dbraw/zinc/99/56/53/556995653.db2.gz	DWTZPAPYTNXJRI-OAQYLSRUSA-N	1	0	446.555	3.182	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc4cc(OCC)ccc4n3)C2)CC1	ZINC000020387643	557012512	/nfs/dbraw/zinc/01/25/12/557012512.db2.gz	JAXBGFKKORKKPZ-NRFANRHFSA-N	1	0	426.561	3.372	50	0		IGAARO
COc1ccc([C@H](CNC(=O)CCCn2cnc3c(C)cccc3c2=O)[NH+]2CCCC2)cc1	ZINC000010745166	557023523	/nfs/dbraw/zinc/02/35/23/557023523.db2.gz	UEJBMWJEZDJOOK-QHCPKHFHSA-N	1	0	448.567	3.447	50	0		IGAARO
O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000017252129	557043000	/nfs/dbraw/zinc/04/30/00/557043000.db2.gz	HESLSHZMPTWVNM-DEOSSOPVSA-N	1	0	445.563	3.371	50	0		IGAARO
C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cc(-c4cccc(Cl)c4)on3)cn2)CC1	ZINC000048265623	557050905	/nfs/dbraw/zinc/05/09/05/557050905.db2.gz	BYFQHKDHUGEVFI-UHFFFAOYSA-N	1	0	425.920	3.462	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=O)c3csc(COc4ccc(F)cc4)n3)cn2)CC1	ZINC000022992004	557056136	/nfs/dbraw/zinc/05/61/36/557056136.db2.gz	VNNJJEAUTHDWLC-UHFFFAOYSA-N	1	0	427.505	3.260	50	0		IGAARO
O=C(CCn1cnc2sccc2c1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000023074288	557061396	/nfs/dbraw/zinc/06/13/96/557061396.db2.gz	SFDAUFCDDAERTN-GOSISDBHSA-N	1	0	430.961	3.455	50	0		IGAARO
O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc(Br)cn1	ZINC000023095823	557063118	/nfs/dbraw/zinc/06/31/18/557063118.db2.gz	PUAKXAFZHHBUOC-UHFFFAOYSA-N	1	0	433.394	3.369	50	0		IGAARO
COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1	ZINC000023312175	557083705	/nfs/dbraw/zinc/08/37/05/557083705.db2.gz	FEZPRYOONSKCOU-OAQYLSRUSA-N	1	0	432.568	3.331	50	0		IGAARO
CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC000023337418	557084760	/nfs/dbraw/zinc/08/47/60/557084760.db2.gz	SMKXUACUFKKAHB-QFIPXVFZSA-N	1	0	437.544	3.455	50	0		IGAARO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1	ZINC000023471918	557093551	/nfs/dbraw/zinc/09/35/51/557093551.db2.gz	ABWJNTRZLXRXQZ-UHFFFAOYSA-N	1	0	441.341	3.237	50	0		IGAARO
CC(C)c1ccc(CNC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000049400749	557096293	/nfs/dbraw/zinc/09/62/93/557096293.db2.gz	IWGWIWVQWPLRLK-UHFFFAOYSA-N	1	0	430.552	3.241	50	0		IGAARO
COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@H+](Cc2cccc(C)c2)CC3)cc1	ZINC000049400932	557096707	/nfs/dbraw/zinc/09/67/07/557096707.db2.gz	ZSOPDMYXROSINF-UHFFFAOYSA-N	1	0	432.524	3.066	50	0		IGAARO
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000023763275	557114944	/nfs/dbraw/zinc/11/49/44/557114944.db2.gz	LQVOPPOAHSPHDS-UHFFFAOYSA-N	1	0	448.567	3.129	50	0		IGAARO
COc1ccc(OCC[NH2+]CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1	ZINC000049590297	557116960	/nfs/dbraw/zinc/11/69/60/557116960.db2.gz	GOSQWOKDKPRUEY-OAQYLSRUSA-N	1	0	426.513	3.189	50	0		IGAARO
COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1=O	ZINC000014952250	557168225	/nfs/dbraw/zinc/16/82/25/557168225.db2.gz	TZGRAUUWTIWVJZ-QHCPKHFHSA-N	1	0	435.568	3.346	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)CC1	ZINC000027574099	557266155	/nfs/dbraw/zinc/26/61/55/557266155.db2.gz	OZZLKCWLDBNXMV-LJQANCHMSA-N	1	0	427.570	3.453	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccccc2OC)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000247869337	557367867	/nfs/dbraw/zinc/36/78/67/557367867.db2.gz	YYCRONDSBPKGJX-GMAHTHKFSA-N	1	0	444.547	3.171	50	0		IGAARO
COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1	ZINC000024022624	557391306	/nfs/dbraw/zinc/39/13/06/557391306.db2.gz	MVXZDKQNQDKSQJ-VWLOTQADSA-N	1	0	433.552	3.256	50	0		IGAARO
CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000229988227	557834826	/nfs/dbraw/zinc/83/48/26/557834826.db2.gz	FWCLZZAOSCRDSU-GHTZIAJQSA-N	1	0	433.524	3.320	50	0		IGAARO
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)cc1	ZINC000008813470	562964428	/nfs/dbraw/zinc/96/44/28/562964428.db2.gz	JESJMEJDLXXRAC-UHFFFAOYSA-N	1	0	449.661	3.318	50	0		IGAARO
COc1ccc(-c2noc(N3CCC(C(=O)NCCC[NH+]4CCC(C)CC4)CC3)n2)cc1	ZINC000009405505	562970106	/nfs/dbraw/zinc/97/01/06/562970106.db2.gz	AQPIGMGCKVLQNJ-UHFFFAOYSA-N	1	0	441.576	3.200	50	0		IGAARO
CC[NH+](CC)[C@@H](CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1)c1ccco1	ZINC000009462566	562971484	/nfs/dbraw/zinc/97/14/84/562971484.db2.gz	WBACEDIGGIVOOS-SFHVURJKSA-N	1	0	428.562	3.164	50	0		IGAARO
C[NH+](C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2cc3c(cc2s1)OCO3	ZINC000010065964	562978306	/nfs/dbraw/zinc/97/83/06/562978306.db2.gz	MIJOLGMGKDTMDX-UHFFFAOYSA-N	1	0	427.482	3.005	50	0		IGAARO
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)CC1	ZINC000015779563	563018073	/nfs/dbraw/zinc/01/80/73/563018073.db2.gz	RYWLGXPTKQCCIF-UHFFFAOYSA-N	1	0	436.423	3.391	50	0		IGAARO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1	ZINC000055089540	563142279	/nfs/dbraw/zinc/14/22/79/563142279.db2.gz	BWICVVYDJKFJDL-FQEVSTJZSA-N	1	0	426.561	3.046	50	0		IGAARO
COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1OC	ZINC000023373043	568613595	/nfs/dbraw/zinc/61/35/95/568613595.db2.gz	IEUALMVDNSCIPW-NRFANRHFSA-N	1	0	425.573	3.499	50	0		IGAARO
COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1	ZINC000247721540	568631965	/nfs/dbraw/zinc/63/19/65/568631965.db2.gz	AVVNLOCHSQYZBN-HXUWFJFHSA-N	1	0	447.583	3.143	50	0		IGAARO
Cn1nnnc1SCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1	ZINC000261492584	568734751	/nfs/dbraw/zinc/73/47/51/568734751.db2.gz	LFBXDNPRDRIUNV-UHFFFAOYSA-N	1	0	440.964	3.052	50	0		IGAARO
O=S(=O)(CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc(Cl)cc1	ZINC000084419236	568797876	/nfs/dbraw/zinc/79/78/76/568797876.db2.gz	AKCAALGZKOABEW-UHFFFAOYSA-N	1	0	432.723	3.395	50	0		IGAARO
C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1	ZINC000248132831	568801696	/nfs/dbraw/zinc/80/16/96/568801696.db2.gz	ZCTLIGVDZHXLPJ-QUCCMNQESA-N	1	0	425.552	3.490	50	0		IGAARO
CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000015681891	568806946	/nfs/dbraw/zinc/80/69/46/568806946.db2.gz	HDSHOLVLHVPBCY-KRWDZBQOSA-N	1	0	426.561	3.401	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1	ZINC000015724219	568812327	/nfs/dbraw/zinc/81/23/27/568812327.db2.gz	NWKUSHSOZUQHDD-UHFFFAOYSA-N	1	0	443.551	3.214	50	0		IGAARO
c1cc(C[NH2+]Cc2cccnc2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1	ZINC000015728178	568813090	/nfs/dbraw/zinc/81/30/90/568813090.db2.gz	NFKHCASPQMAART-UHFFFAOYSA-N	1	0	431.569	3.340	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COc2ccccc2C1	ZINC000015787251	568836489	/nfs/dbraw/zinc/83/64/89/568836489.db2.gz	IVOZUYITVGANBP-HXUWFJFHSA-N	1	0	428.964	3.155	50	0		IGAARO
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1	ZINC000016033235	568867604	/nfs/dbraw/zinc/86/76/04/568867604.db2.gz	QZVFUMCUHFVDPS-CKRFGLGXSA-N	1	0	429.904	3.450	50	0		IGAARO
CN(CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000012989769	568895358	/nfs/dbraw/zinc/89/53/58/568895358.db2.gz	ZMTLDCKXKHYTJW-QFIPXVFZSA-N	1	0	443.544	3.019	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1	ZINC000240886234	568912049	/nfs/dbraw/zinc/91/20/49/568912049.db2.gz	INYXXHADLGIQAP-VAMGGRTRSA-N	1	0	447.576	3.278	50	0		IGAARO
CSc1ccc(O[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)cc1	ZINC000089368825	568921451	/nfs/dbraw/zinc/92/14/51/568921451.db2.gz	YYRQHXPDGQQXED-WIYYLYMNSA-N	1	0	428.598	3.096	50	0		IGAARO
Cc1nn(CC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)c2c3ccccc3sc21	ZINC000006799021	568989862	/nfs/dbraw/zinc/98/98/62/568989862.db2.gz	AXOAYAFWOFPZFS-HOTGVXAUSA-N	1	0	426.586	3.404	50	0		IGAARO
Cc1nn(CC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)c2c3ccccc3sc21	ZINC000006799022	568989894	/nfs/dbraw/zinc/98/98/94/568989894.db2.gz	AXOAYAFWOFPZFS-HZPDHXFCSA-N	1	0	426.586	3.404	50	0		IGAARO
COC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2C)CC1	ZINC000036340155	569078620	/nfs/dbraw/zinc/07/86/20/569078620.db2.gz	RGABWVDUSRBQOW-XMMPIXPASA-N	1	0	446.595	3.481	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036344433	569080242	/nfs/dbraw/zinc/08/02/42/569080242.db2.gz	JCTBRFIFXSLLOH-JOCHJYFZSA-N	1	0	434.540	3.039	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(OC)c1)C[N@H+](Cc1ccccc1)CC2	ZINC000065153500	569111847	/nfs/dbraw/zinc/11/18/47/569111847.db2.gz	AXHBUKTZMYAISO-UHFFFAOYSA-N	1	0	432.524	3.011	50	0		IGAARO
CCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](C4CCCCC4)CC3)C2)ncn1	ZINC000065245059	569121540	/nfs/dbraw/zinc/12/15/40/569121540.db2.gz	CQIWHCRSKMWXPI-FQEVSTJZSA-N	1	0	428.625	3.382	50	0		IGAARO
Cc1nn(C)c(C)c1CCCN(C)C(=O)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1	ZINC000065255848	569122954	/nfs/dbraw/zinc/12/29/54/569122954.db2.gz	DYBWHWXWMWSQBA-DEOSSOPVSA-N	1	0	446.599	3.288	50	0		IGAARO
CCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)ncn1	ZINC000065274043	569128247	/nfs/dbraw/zinc/12/82/47/569128247.db2.gz	ILCZOQHVDJSQQR-UHFFFAOYSA-N	1	0	428.625	3.382	50	0		IGAARO
O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1	ZINC000238901067	569137820	/nfs/dbraw/zinc/13/78/20/569137820.db2.gz	KTJKIOWZFACJIX-FKEBYFGASA-N	1	0	447.645	3.152	50	0		IGAARO
C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000170593092	569141180	/nfs/dbraw/zinc/14/11/80/569141180.db2.gz	VUKWXYKFOVFMLT-CQSZACIVSA-N	1	0	426.380	3.462	50	0		IGAARO
CC(C)(C)OC(=O)N1CCC[N@H+](CCCOC(=O)c2ccc3c(c2)NC(=O)CS3)CC1	ZINC000170609402	569144722	/nfs/dbraw/zinc/14/47/22/569144722.db2.gz	IHSCYMHJRWDTHL-UHFFFAOYSA-N	1	0	449.573	3.221	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000002119357	569182825	/nfs/dbraw/zinc/18/28/25/569182825.db2.gz	CCINPNZGQSKDQW-AVWDQLLDSA-N	1	0	428.548	3.233	50	0		IGAARO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000252426684	569183293	/nfs/dbraw/zinc/18/32/93/569183293.db2.gz	KNUYMKCLEZNCKC-NQRVTCLYSA-N	1	0	432.605	3.371	50	0		IGAARO
COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000252444458	569183806	/nfs/dbraw/zinc/18/38/06/569183806.db2.gz	FVQOJZMQWHKUOU-PMACEKPBSA-N	1	0	427.497	3.246	50	0		IGAARO
COc1cccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)c1	ZINC000037375892	569185530	/nfs/dbraw/zinc/18/55/30/569185530.db2.gz	CURJUSKLQWZXRS-UHFFFAOYSA-N	1	0	449.946	3.479	50	0		IGAARO
C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)C1CCCCC1	ZINC000252475049	569185632	/nfs/dbraw/zinc/18/56/32/569185632.db2.gz	RORZEEXYXKYXAP-URXFXBBRSA-N	1	0	444.620	3.310	50	0		IGAARO
COc1ccc2c3c1O[C@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(OC)ccc(OC)c12	ZINC000252495825	569187993	/nfs/dbraw/zinc/18/79/93/569187993.db2.gz	PCOMADIFHYJITB-CEZCJDHPSA-N	1	0	447.531	3.335	50	0		IGAARO
Cc1cs/c(=N\C(=O)c2cccc(C)c2)n1Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000037436174	569196129	/nfs/dbraw/zinc/19/61/29/569196129.db2.gz	SMMFZCQXVGSYMQ-LCUIJRPUSA-N	1	0	436.581	3.247	50	0		IGAARO
Cc1cn(Cc2cccc(C(=O)NCC[NH+](C)C)c2)/c(=N/C(=O)c2ccc(F)cc2)s1	ZINC000037436923	569196259	/nfs/dbraw/zinc/19/62/59/569196259.db2.gz	VQNAOMQSEYEWHE-RWEWTDSWSA-N	1	0	440.544	3.078	50	0		IGAARO
COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000037559635	569200943	/nfs/dbraw/zinc/20/09/43/569200943.db2.gz	UGXQFPYLHTUNNO-UHFFFAOYSA-N	1	0	428.529	3.356	50	0		IGAARO
CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NCc4ccccc4)CC3)C2)CC1	ZINC000581819787	569211625	/nfs/dbraw/zinc/21/16/25/569211625.db2.gz	KUYAXXCHNQHYLN-QHCPKHFHSA-N	1	0	428.621	3.183	50	0		IGAARO
CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)ccc2N(CCOC)CCOC)c1	ZINC000078822232	569319480	/nfs/dbraw/zinc/31/94/80/569319480.db2.gz	YELNGYIWJNDNIY-UHFFFAOYSA-N	1	0	427.589	3.476	50	0		IGAARO
Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc4c(c3)ncn4CCC[NH+](C)C)C2)n1	ZINC000079477085	569330755	/nfs/dbraw/zinc/33/07/55/569330755.db2.gz	VVMDHGSYTPQCKZ-IBGZPJMESA-N	1	0	435.576	3.250	50	0		IGAARO
CC[NH+]1CCN(CCNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)CC1	ZINC000020279821	569358599	/nfs/dbraw/zinc/35/85/99/569358599.db2.gz	IHRSZUOCWHDYII-UHFFFAOYSA-N	1	0	438.576	3.080	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(OCCOC)nc1	ZINC000095408311	569364678	/nfs/dbraw/zinc/36/46/78/569364678.db2.gz	SJCFCIWKXQELOX-FQEVSTJZSA-N	1	0	428.533	3.331	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1OC	ZINC000095430421	569366097	/nfs/dbraw/zinc/36/60/97/569366097.db2.gz	QHPSQVBBHDSUEM-UHFFFAOYSA-N	1	0	427.545	3.401	50	0		IGAARO
CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2nc[nH]n2)c1	ZINC000095468598	569371435	/nfs/dbraw/zinc/37/14/35/569371435.db2.gz	GHCKXYCOYPZDMC-HSALFYBXSA-N	1	0	427.549	3.366	50	0		IGAARO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1	ZINC000095996214	569378820	/nfs/dbraw/zinc/37/88/20/569378820.db2.gz	CKNMMPZPWAKSTI-LBPRGKRZSA-N	1	0	441.395	3.293	50	0		IGAARO
O=C(CSc1ccc(F)cc1)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12	ZINC000096024228	569380464	/nfs/dbraw/zinc/38/04/64/569380464.db2.gz	SCLWWJJYAFITGV-UHFFFAOYSA-N	1	0	440.544	3.040	50	0		IGAARO
CCc1nc2cc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)cnc2nc1CC	ZINC000096387435	569398947	/nfs/dbraw/zinc/39/89/47/569398947.db2.gz	QCSYXVFFEUXMNP-GOSISDBHSA-N	1	0	438.620	3.357	50	0		IGAARO
C[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000097165344	569403367	/nfs/dbraw/zinc/40/33/67/569403367.db2.gz	WMJZCDDBJQMZJG-SFTDATJTSA-N	1	0	436.641	3.042	50	0		IGAARO
O=C(CNC(=O)c1ccccc1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000225631291	569406210	/nfs/dbraw/zinc/40/62/10/569406210.db2.gz	MAJANBZNVUBIIT-DEOSSOPVSA-N	1	0	435.568	3.089	50	0		IGAARO
CCCN1C(=O)N(CCC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](CC)C[C@H]32)C1=O	ZINC000057128603	569429697	/nfs/dbraw/zinc/42/96/97/569429697.db2.gz	KYWISIMLFZVJQW-IBGZPJMESA-N	1	0	446.979	3.004	50	0		IGAARO
CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl	ZINC000030556461	569443673	/nfs/dbraw/zinc/44/36/73/569443673.db2.gz	FVGRQISZRZNPBN-UHFFFAOYSA-N	1	0	435.977	3.116	50	0		IGAARO
COc1ccc(-n2cnc3cc(C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)ccc3c2=O)cc1	ZINC000032096181	569459905	/nfs/dbraw/zinc/45/99/05/569459905.db2.gz	UNMWZNKMVDZWQR-UHFFFAOYSA-N	1	0	434.540	3.433	50	0		IGAARO
CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Br)c3)[nH]c(=O)c2C1	ZINC000067291819	569467761	/nfs/dbraw/zinc/46/77/61/569467761.db2.gz	KIPZGNMWBOSVNA-UHFFFAOYSA-N	1	0	437.363	3.444	50	0		IGAARO
CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c1	ZINC000040146934	569492356	/nfs/dbraw/zinc/49/23/56/569492356.db2.gz	PFZLKSJONYGKTD-JOCHJYFZSA-N	1	0	443.613	3.188	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(=O)COC	ZINC000245281484	569502239	/nfs/dbraw/zinc/50/22/39/569502239.db2.gz	ZULUQXQZLLNGBF-GHTZIAJQSA-N	1	0	432.586	3.094	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12	ZINC000069930208	569524206	/nfs/dbraw/zinc/52/42/06/569524206.db2.gz	AQKQYPQAWPZKEQ-HSZRJFAPSA-N	1	0	448.592	3.464	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)n2)cc1	ZINC000009431594	569534274	/nfs/dbraw/zinc/53/42/74/569534274.db2.gz	BDYPXDFSBFBVCX-HXUWFJFHSA-N	1	0	441.576	3.200	50	0		IGAARO
Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000009465601	569537968	/nfs/dbraw/zinc/53/79/68/569537968.db2.gz	QZRYHIYDAFSRCR-FQEVSTJZSA-N	1	0	445.585	3.330	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccco3)CC2)[NH+]2CCCC2)cc1	ZINC000009481894	569539456	/nfs/dbraw/zinc/53/94/56/569539456.db2.gz	KWYLCFNCGAQEFL-OAQYLSRUSA-N	1	0	425.529	3.094	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000009585310	569549485	/nfs/dbraw/zinc/54/94/85/569549485.db2.gz	SPBXCNCQIKBMMS-NRFANRHFSA-N	1	0	445.585	3.330	50	0		IGAARO
O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000009819824	569569364	/nfs/dbraw/zinc/56/93/64/569569364.db2.gz	WVHVIBMZKFOVMC-UHFFFAOYSA-N	1	0	441.597	3.387	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCC(C)CC3)c2)cc1	ZINC000009919601	569573487	/nfs/dbraw/zinc/57/34/87/569573487.db2.gz	SZTPNLFWBJOVPV-UHFFFAOYSA-N	1	0	445.585	3.348	50	0		IGAARO
C[C@H]1Cc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2N1S(C)(=O)=O	ZINC000010456869	569582383	/nfs/dbraw/zinc/58/23/83/569582383.db2.gz	KIZOQRNCGJJBMG-SFHVURJKSA-N	1	0	441.597	3.313	50	0		IGAARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C)c(C)c2)CC1	ZINC000004711720	132272934	/nfs/dbraw/zinc/27/29/34/132272934.db2.gz	ZCTNBVNYJVCXEX-UHFFFAOYSA-N	1	0	425.529	3.249	50	0		IGAARO
Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)c4nccn4C)C3)CC2)nc2ccc(F)cc12	ZINC000011782830	132339554	/nfs/dbraw/zinc/33/95/54/132339554.db2.gz	KUOXDPGLMTYCEV-QGZVFWFLSA-N	1	0	436.535	3.375	50	0		IGAARO
CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2)cc1	ZINC000012466347	519437859	/nfs/dbraw/zinc/43/78/59/519437859.db2.gz	MBCGJBDEDNSMBM-QFIPXVFZSA-N	1	0	432.568	3.376	50	0		IGAARO
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014742131	519533902	/nfs/dbraw/zinc/53/39/02/519533902.db2.gz	RQGRFBCMIGBMGX-LJQANCHMSA-N	1	0	430.980	3.312	50	0		IGAARO
CCC[NH+]1CCN(CCCNC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)CC1	ZINC000020979391	519858077	/nfs/dbraw/zinc/85/80/77/519858077.db2.gz	IPTSWNDJOZHWNH-UHFFFAOYSA-N	1	0	448.615	3.427	50	0		IGAARO
CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1	ZINC000035991236	520513922	/nfs/dbraw/zinc/51/39/22/520513922.db2.gz	BHJGZLKUHASDAL-QHCPKHFHSA-N	1	0	442.604	3.351	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)CC1	ZINC000020907132	520959524	/nfs/dbraw/zinc/95/95/24/520959524.db2.gz	IGLNXFVTSGGACX-HXUWFJFHSA-N	1	0	431.968	3.469	50	0		IGAARO
CC1CC[NH+](CCNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)CC1	ZINC000021714286	521011305	/nfs/dbraw/zinc/01/13/05/521011305.db2.gz	SLGKONQGPWFQSA-UHFFFAOYSA-N	1	0	431.968	3.455	50	0		IGAARO
CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1N	ZINC000021651978	521579236	/nfs/dbraw/zinc/57/92/36/521579236.db2.gz	ZUHZREPPFXGNCZ-UHFFFAOYSA-N	1	0	447.539	3.026	50	0		IGAARO
C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(Cl)c1	ZINC000012596716	521785597	/nfs/dbraw/zinc/78/55/97/521785597.db2.gz	ARMKCZAJOGIBEA-QGZVFWFLSA-N	1	0	433.980	3.358	50	0		IGAARO
CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000012753142	521972797	/nfs/dbraw/zinc/97/27/97/521972797.db2.gz	MIIFSVKFENBIJC-KKSFZXQISA-N	1	0	443.979	3.270	50	0		IGAARO
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1	ZINC000021117120	521980843	/nfs/dbraw/zinc/98/08/43/521980843.db2.gz	IRZDRNSEJSAJCK-UHFFFAOYSA-N	1	0	431.533	3.380	50	0		IGAARO
COc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc(OC)c1	ZINC000012509499	522374691	/nfs/dbraw/zinc/37/46/91/522374691.db2.gz	DGGFRAUEOWUJCT-HXUWFJFHSA-N	1	0	425.529	3.042	50	0		IGAARO
COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc(OC)c1	ZINC000021795872	522684781	/nfs/dbraw/zinc/68/47/81/522684781.db2.gz	JFDVLUIWXJMNHE-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC3CCCCC3)CC2)C1=O	ZINC000014533152	523168637	/nfs/dbraw/zinc/16/86/37/523168637.db2.gz	MMZDNZHVQLICMO-UHFFFAOYSA-N	1	0	441.572	3.081	50	0		IGAARO
COCCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c(=O)c2C1	ZINC000020467821	523304540	/nfs/dbraw/zinc/30/45/40/523304540.db2.gz	AZEXZCWVXQEWPN-UHFFFAOYSA-N	1	0	436.965	3.269	50	0		IGAARO
COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3c2=O)cc1	ZINC000020804974	523342737	/nfs/dbraw/zinc/34/27/37/523342737.db2.gz	OCNITOUJHQMVFV-UHFFFAOYSA-N	1	0	434.540	3.246	50	0		IGAARO
CCn1ncc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1C	ZINC000012713573	523690099	/nfs/dbraw/zinc/69/00/99/523690099.db2.gz	FTCKTVNSABEBPI-UHFFFAOYSA-N	1	0	426.561	3.499	50	0		IGAARO
C[NH+]1CCC(N2CCN(Cc3cnc(-c4cccc5ccccc54)nc3)C[C@@H]2CCO)CC1	ZINC000020560524	523771581	/nfs/dbraw/zinc/77/15/81/523771581.db2.gz	JKZOAGYQXHGKNK-DEOSSOPVSA-N	1	0	445.611	3.260	50	0		IGAARO
CC[C@H](C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)N1c2cc(C)nn2CCC1=O	ZINC000035374451	523773107	/nfs/dbraw/zinc/77/31/07/523773107.db2.gz	HZMZZVGVFBACRZ-OAQYLSRUSA-N	1	0	425.577	3.124	50	0		IGAARO
COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)cc2)cc1	ZINC000012243587	523908425	/nfs/dbraw/zinc/90/84/25/523908425.db2.gz	VDDBCBSPMKJRJC-UHFFFAOYSA-N	1	0	433.556	3.369	50	0		IGAARO
COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2ccccn2)CC3)cc1	ZINC000014748026	523945291	/nfs/dbraw/zinc/94/52/91/523945291.db2.gz	ANEIREYYUGXNTI-UHFFFAOYSA-N	1	0	436.556	3.340	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c2ccccc12	ZINC000020450864	524039719	/nfs/dbraw/zinc/03/97/19/524039719.db2.gz	JUFULKYFHCVVDJ-UHFFFAOYSA-N	1	0	445.523	3.064	50	0		IGAARO
C[NH+](C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(cccc2F)s1	ZINC000012140994	524053434	/nfs/dbraw/zinc/05/34/34/524053434.db2.gz	DKVIWFNFZRAGRV-UHFFFAOYSA-N	1	0	440.500	3.016	50	0		IGAARO
Cc1cc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C	ZINC000020915531	524263274	/nfs/dbraw/zinc/26/32/74/524263274.db2.gz	MQRZWMNKMWAEHF-UHFFFAOYSA-N	1	0	449.574	3.302	50	0		IGAARO
Cc1cc(C)c(N2C(=O)c3ccccc3/C(=C\NCCC[NH+]3CCOCC3)C2=O)c(C)c1	ZINC000020503880	524276655	/nfs/dbraw/zinc/27/66/55/524276655.db2.gz	LRXBADZBEVQDDB-HAVVHWLPSA-N	1	0	433.552	3.452	50	0		IGAARO
Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1	ZINC000020450837	524475600	/nfs/dbraw/zinc/47/56/00/524475600.db2.gz	LESRLQHBCTUQIP-AWEZNQCLSA-N	1	0	431.512	3.476	50	0		IGAARO
COc1ccc(NC(=O)c2nnc(C(=O)NCC[C@@H](C)[NH+]3CCCCCC3)s2)cc1	ZINC000033060201	524656304	/nfs/dbraw/zinc/65/63/04/524656304.db2.gz	STIRUTFXWWGONF-OAHLLOKOSA-N	1	0	431.562	3.183	50	0		IGAARO
COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)o2)c1	ZINC000012459311	524841037	/nfs/dbraw/zinc/84/10/37/524841037.db2.gz	FLSNNLCXPMFZNW-UHFFFAOYSA-N	1	0	442.560	3.087	50	0		IGAARO
Cc1cccn2c(C[NH2+]CCCn3ccc4ccccc43)c(C(=O)N3CCOCC3)nc12	ZINC000012447417	525467213	/nfs/dbraw/zinc/46/72/13/525467213.db2.gz	GSXOIYKCNAKHJM-UHFFFAOYSA-N	1	0	431.540	3.250	50	0		IGAARO
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccco4)CC3)ccc2S1	ZINC000015730984	526217807	/nfs/dbraw/zinc/21/78/07/526217807.db2.gz	NORSRHFIWFCUIL-OAHLLOKOSA-N	1	0	449.598	3.293	50	0		IGAARO
O=C(CCC1CCN(C(=O)C(=O)c2ccccc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012458983	526408935	/nfs/dbraw/zinc/40/89/35/526408935.db2.gz	VYLAOMUHYKVGOE-XMMPIXPASA-N	1	0	447.579	3.279	50	0		IGAARO
c1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)nc2c1	ZINC000020993291	526500371	/nfs/dbraw/zinc/50/03/71/526500371.db2.gz	NOFBLLUBGAIBSF-HXUWFJFHSA-N	1	0	433.556	3.074	50	0		IGAARO
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000012680504	526580214	/nfs/dbraw/zinc/58/02/14/526580214.db2.gz	KFZHYRHJRVQPKM-OAQYLSRUSA-N	1	0	445.585	3.411	50	0		IGAARO
O=C(c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cc1)N1CCC[C@@H](O)C1	ZINC000012470596	526698340	/nfs/dbraw/zinc/69/83/40/526698340.db2.gz	OBEJSHXSVZOQQD-OAQYLSRUSA-N	1	0	429.511	3.320	50	0		IGAARO
O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CC(=O)Nc2ccccc21	ZINC000022782085	526767160	/nfs/dbraw/zinc/76/71/60/526767160.db2.gz	LRIGXGCLEOWXTR-UHFFFAOYSA-N	1	0	440.547	3.379	50	0		IGAARO
O=C1c2ccccc2/C(=C\NCCC[NH+]2CCOCC2)C(=O)N1c1cccc(Cl)c1	ZINC000020503509	527127607	/nfs/dbraw/zinc/12/76/07/527127607.db2.gz	IWCIOMYNTMWCNY-LTGZKZEYSA-N	1	0	425.916	3.180	50	0		IGAARO
O=CN1CCCN(C(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)CC1	ZINC000012315110	527140749	/nfs/dbraw/zinc/14/07/49/527140749.db2.gz	HCXKNXQYJZHCHH-UHFFFAOYSA-N	1	0	433.980	3.430	50	0		IGAARO
O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000012703661	527151663	/nfs/dbraw/zinc/15/16/63/527151663.db2.gz	NTJMQJCAFFHJPE-VWLOTQADSA-N	1	0	448.611	3.007	50	0		IGAARO
Cn1cc(C[NH+]2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2cc(Cl)ccc21	ZINC000035457851	527196817	/nfs/dbraw/zinc/19/68/17/527196817.db2.gz	FAFSFYGUMKSKOZ-UHFFFAOYSA-N	1	0	431.964	3.409	50	0		IGAARO
Cn1cc(C[NH2+][C@@H](CCn2cncn2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1	ZINC000012592307	527220230	/nfs/dbraw/zinc/22/02/30/527220230.db2.gz	FCIUMJWSBOMNGU-NRFANRHFSA-N	1	0	430.512	3.371	50	0		IGAARO
O=C(Cc1ccc(N2CCC([NH2+]CCc3cscn3)CC2)cc1)NCc1ccccn1	ZINC000012245644	527236206	/nfs/dbraw/zinc/23/62/06/527236206.db2.gz	GXIFNEAATLMWAI-UHFFFAOYSA-N	1	0	435.597	3.198	50	0		IGAARO
CC1=C(C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)OC1=O	ZINC000006899677	535223095	/nfs/dbraw/zinc/22/30/95/535223095.db2.gz	ZNIRBFIYXQWSGP-UHFFFAOYSA-N	1	0	429.536	3.030	50	0		IGAARO
CC[C@H](COC)[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1	ZINC000011791275	536121235	/nfs/dbraw/zinc/12/12/35/536121235.db2.gz	KKJPETAGNWOHCZ-HXUWFJFHSA-N	1	0	439.556	3.329	50	0		IGAARO
NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	ZINC000004271987	555981062	/nfs/dbraw/zinc/98/10/62/555981062.db2.gz	CCEARLNRGNUNSC-UHFFFAOYSA-N	1	0	436.556	3.223	50	0		IGAARO
COc1cc(C[NH2+]C(C)(C)CO)ccc1OCC(=O)Nc1ccc(Br)cc1	ZINC000004644048	556004959	/nfs/dbraw/zinc/00/49/59/556004959.db2.gz	BLYCPIMEFYCRIC-UHFFFAOYSA-N	1	0	437.334	3.336	50	0		IGAARO
CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1	ZINC000008452464	556182782	/nfs/dbraw/zinc/18/27/82/556182782.db2.gz	BRRVKNFTWRFIMO-UHFFFAOYSA-N	1	0	430.501	3.463	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12	ZINC000013814252	556313767	/nfs/dbraw/zinc/31/37/67/556313767.db2.gz	TZOFWMDSZXDYBG-PABYOWBDSA-N	1	0	441.890	3.056	50	0		IGAARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cn2)CC1	ZINC000032753495	556322850	/nfs/dbraw/zinc/32/28/50/556322850.db2.gz	TUJDPMGKYNPRIU-UHFFFAOYSA-N	1	0	432.499	3.134	50	0		IGAARO
COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC[NH+](C)C)cc1Br	ZINC000010312790	556330346	/nfs/dbraw/zinc/33/03/46/556330346.db2.gz	HSMJKUOGBDXWBP-UHFFFAOYSA-N	1	0	434.334	3.392	50	0		IGAARO
Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCn2cncn2)CC1	ZINC000011817655	556360115	/nfs/dbraw/zinc/36/01/15/556360115.db2.gz	UBQUIQMAYDLVLY-UHFFFAOYSA-N	1	0	432.572	3.313	50	0		IGAARO
O=C(CCC1CCN(C(=O)COc2ccccc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000011840864	556365157	/nfs/dbraw/zinc/36/51/57/556365157.db2.gz	NERASBGDHYKBJC-DEOSSOPVSA-N	1	0	449.595	3.475	50	0		IGAARO
Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)O2)n(C)n1	ZINC000011997255	556384139	/nfs/dbraw/zinc/38/41/39/556384139.db2.gz	MSGWIQIYXCSWLC-HBMCJLEFSA-N	1	0	426.605	3.464	50	0		IGAARO
CC1CC[NH+](CCNC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1	ZINC000065172611	556412716	/nfs/dbraw/zinc/41/27/16/556412716.db2.gz	WAUVEHLJXGEPLY-UHFFFAOYSA-N	1	0	437.588	3.287	50	0		IGAARO
Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2	ZINC000014530327	556420064	/nfs/dbraw/zinc/42/00/64/556420064.db2.gz	NCABHABPCOIZJD-GOSISDBHSA-N	1	0	435.597	3.469	50	0		IGAARO
COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(C)cc1)CC2	ZINC000014531115	556420408	/nfs/dbraw/zinc/42/04/08/556420408.db2.gz	GETXRPJXQONWNJ-UHFFFAOYSA-N	1	0	436.556	3.226	50	0		IGAARO
CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2	ZINC000014752842	556444006	/nfs/dbraw/zinc/44/40/06/556444006.db2.gz	CSIHKHNOTZARHY-UHFFFAOYSA-N	1	0	429.524	3.301	50	0		IGAARO
O=C(NC[C@H]1CCC2(CC[NH+](Cc3nc4ccccc4s3)CC2)O1)C1CCOCC1	ZINC000014887138	556455569	/nfs/dbraw/zinc/45/55/69/556455569.db2.gz	MYQNVMAYMYTGNJ-GOSISDBHSA-N	1	0	429.586	3.353	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1	ZINC000013096777	556457646	/nfs/dbraw/zinc/45/76/46/556457646.db2.gz	PBNJZGKTWNWGFD-QFIPXVFZSA-N	1	0	429.586	3.284	50	0		IGAARO
CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1	ZINC000014960911	556463878	/nfs/dbraw/zinc/46/38/78/556463878.db2.gz	SEIVAADTHDKHQC-RUZDIDTESA-N	1	0	427.541	3.454	50	0		IGAARO
O=C(Nc1ccc(N2CCC([NH2+]CCn3cccn3)CC2)cc1)c1ccc2c(c1)OCO2	ZINC000014989745	556474386	/nfs/dbraw/zinc/47/43/86/556474386.db2.gz	GUZNXWWQDHTRNI-UHFFFAOYSA-N	1	0	433.512	3.123	50	0		IGAARO
O=C(NCCc1nnc2n1CC[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2)c1ccoc1	ZINC000014990563	556474675	/nfs/dbraw/zinc/47/46/75/556474675.db2.gz	BCQGGWNYDRLYJM-UHFFFAOYSA-N	1	0	448.552	3.025	50	0		IGAARO
Cc1ccccc1-c1ccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(N(C)C)n1	ZINC000014997382	556478330	/nfs/dbraw/zinc/47/83/30/556478330.db2.gz	VKUHRKSYRJRXTE-UHFFFAOYSA-N	1	0	449.599	3.069	50	0		IGAARO
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1	ZINC000029829913	556483539	/nfs/dbraw/zinc/48/35/39/556483539.db2.gz	MXGGHAPHAURSIE-UHFFFAOYSA-N	1	0	435.977	3.203	50	0		IGAARO
CC1CC[NH+]([C@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1	ZINC000032716673	556505813	/nfs/dbraw/zinc/50/58/13/556505813.db2.gz	FJVYOEYBGJAGHJ-MRXNPFEDSA-N	1	0	441.644	3.020	50	0		IGAARO
C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1	ZINC000032904879	556545052	/nfs/dbraw/zinc/54/50/52/556545052.db2.gz	KOQWPHWDSFKIIU-MRXNPFEDSA-N	1	0	430.936	3.345	50	0		IGAARO
COc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1OC	ZINC000015856073	556557523	/nfs/dbraw/zinc/55/75/23/556557523.db2.gz	BYGOTZRGCUVXSG-UHFFFAOYSA-N	1	0	437.584	3.260	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016012355	556574220	/nfs/dbraw/zinc/57/42/20/556574220.db2.gz	IYYPNADSWGFUKU-GTPNXJITSA-N	1	0	429.520	3.297	50	0		IGAARO
Cc1ccc2ccccc2c1C[NH+]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000001180375	556574413	/nfs/dbraw/zinc/57/44/13/556574413.db2.gz	QUCTWTPJRMRRBF-UHFFFAOYSA-N	1	0	441.531	3.479	50	0		IGAARO
CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12	ZINC000016021063	556575073	/nfs/dbraw/zinc/57/50/73/556575073.db2.gz	RFBLFZHETQSHPX-XWQURZDVSA-N	1	0	441.890	3.056	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl	ZINC000016022191	556575703	/nfs/dbraw/zinc/57/57/03/556575703.db2.gz	NUXASOIAYFNQAH-XWMVTLDASA-N	1	0	437.927	3.102	50	0		IGAARO
Cc1ccc(C)c(NC(=O)[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1	ZINC000016046211	556580179	/nfs/dbraw/zinc/58/01/79/556580179.db2.gz	CVHYYMDVLSOVBY-HSZRJFAPSA-N	1	0	437.565	3.463	50	0		IGAARO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1	ZINC000034872104	556585030	/nfs/dbraw/zinc/58/50/30/556585030.db2.gz	QHFUNNKXNSIAFM-QKLQHJQFSA-N	1	0	449.642	3.447	50	0		IGAARO
O=C1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1	ZINC000016225592	556592360	/nfs/dbraw/zinc/59/23/60/556592360.db2.gz	LKWFPIJVILFXEG-FQEVSTJZSA-N	1	0	442.357	3.335	50	0		IGAARO
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4Cl)n3)c(C)n2)CC1	ZINC000036235726	556595055	/nfs/dbraw/zinc/59/50/55/556595055.db2.gz	OGEZYFXVAXLKMW-UHFFFAOYSA-N	1	0	425.924	3.074	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1	ZINC000032974002	556595993	/nfs/dbraw/zinc/59/59/93/556595993.db2.gz	PNCSRCFHNOYFRU-UHFFFAOYSA-N	1	0	443.613	3.034	50	0		IGAARO
CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036313999	556596473	/nfs/dbraw/zinc/59/64/73/556596473.db2.gz	JEXXZOIWXCDSJT-OAQYLSRUSA-N	1	0	429.561	3.176	50	0		IGAARO
Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCC[NH+]2CCCCC2)s1	ZINC000032995379	556610222	/nfs/dbraw/zinc/61/02/22/556610222.db2.gz	WIGGFSYZRDXHQP-UHFFFAOYSA-N	1	0	429.590	3.414	50	0		IGAARO
O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCC[NH+]1CCCCC1	ZINC000032995203	556610422	/nfs/dbraw/zinc/61/04/22/556610422.db2.gz	XHJWGUUIOKICLX-UHFFFAOYSA-N	1	0	435.981	3.369	50	0		IGAARO
COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccccc2OC)n[nH]1	ZINC000409413060	556640393	/nfs/dbraw/zinc/64/03/93/556640393.db2.gz	ARKMUCMONBPIJB-XMSQKQJNSA-N	1	0	426.561	3.438	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)cc1	ZINC000016780463	556641326	/nfs/dbraw/zinc/64/13/26/556641326.db2.gz	NTDHVMJNLUZVHC-UHFFFAOYSA-N	1	0	431.602	3.454	50	0		IGAARO
CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CCN1CCOCC1	ZINC000040719649	556645331	/nfs/dbraw/zinc/64/53/31/556645331.db2.gz	YSHDRPDNOGIBER-UHFFFAOYSA-N	1	0	436.188	3.421	50	0		IGAARO
COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2	ZINC000033015038	556664963	/nfs/dbraw/zinc/66/49/63/556664963.db2.gz	HFSJYKGSYCVNDM-IUKKYPGJSA-N	1	0	433.570	3.269	50	0		IGAARO
O=C(C=Cc1c[nH]cn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000011935871	556676022	/nfs/dbraw/zinc/67/60/22/556676022.db2.gz	RQGPVUASTCRZHM-NJFIGMEYSA-N	1	0	434.584	3.310	50	0		IGAARO
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2Br)C1	ZINC000032937400	556689627	/nfs/dbraw/zinc/68/96/27/556689627.db2.gz	ARNYFXQTUSQSCI-KBPBESRZSA-N	1	0	428.346	3.401	50	0		IGAARO
CCOc1ccc(C[N@@H+]2CCN(CC3=Cc4cccc(OC)c4OC3)C[C@@H]2CCO)cc1	ZINC000019228959	556717648	/nfs/dbraw/zinc/71/76/48/556717648.db2.gz	OBZIOJVEIQNUJV-QHCPKHFHSA-N	1	0	438.568	3.439	50	0		IGAARO
Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)[NH+]2CCCC2)o1	ZINC000060354797	556731030	/nfs/dbraw/zinc/73/10/30/556731030.db2.gz	HPEOSUOAJKIJDM-QGZVFWFLSA-N	1	0	425.938	3.180	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)[NH+]2CCCC2)c1	ZINC000057997471	556752175	/nfs/dbraw/zinc/75/21/75/556752175.db2.gz	KYOMXTSPJICSMA-HSZRJFAPSA-N	1	0	447.539	3.259	50	0		IGAARO
CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3OC)c(=O)c2C1	ZINC000062007127	556765135	/nfs/dbraw/zinc/76/51/35/556765135.db2.gz	XANTZZXWOIVWAC-UHFFFAOYSA-N	1	0	432.524	3.244	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000002323584	556799935	/nfs/dbraw/zinc/79/99/35/556799935.db2.gz	AMZNLDQBZRCRRJ-LMMUWCHVSA-N	1	0	429.520	3.297	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002327531	556800109	/nfs/dbraw/zinc/80/01/09/556800109.db2.gz	KYVZENSNHRAAHQ-DYXJYMTDSA-N	1	0	442.302	3.425	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)s2)cc1	ZINC000033062062	556817859	/nfs/dbraw/zinc/81/78/59/556817859.db2.gz	AUCNWLOQXPOCBL-KRWDZBQOSA-N	1	0	429.590	3.412	50	0		IGAARO
O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)N1CC[NH+](C2CCCCC2)CC1	ZINC000033061523	556818306	/nfs/dbraw/zinc/81/83/06/556818306.db2.gz	KVTAGDBDOZBBPN-UHFFFAOYSA-N	1	0	427.574	3.200	50	0		IGAARO
COc1ccc2ccccc2c1C[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)N1CCCCCC1	ZINC000064120604	556822678	/nfs/dbraw/zinc/82/26/78/556822678.db2.gz	MZGDUTICXSGMKQ-KNQAVFIVSA-N	1	0	434.544	3.053	50	0		IGAARO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2Cl)cc1	ZINC000065364492	556835628	/nfs/dbraw/zinc/83/56/28/556835628.db2.gz	JHXFEOPHYSMRCT-UHFFFAOYSA-N	1	0	435.977	3.054	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1	ZINC000033071031	556851182	/nfs/dbraw/zinc/85/11/82/556851182.db2.gz	XGLJAMJRBVHDGO-UHFFFAOYSA-N	1	0	446.599	3.108	50	0		IGAARO
CCCC[N@H+](CCCNC(=O)C1CCN(S(=O)(=O)CCC)CC1)Cc1ccccc1	ZINC000004712038	556890360	/nfs/dbraw/zinc/89/03/60/556890360.db2.gz	QUHHHHOIGQHRDE-UHFFFAOYSA-N	1	0	437.650	3.247	50	0		IGAARO
CCCC[N@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1)Cc1ccccc1	ZINC000004712203	556890391	/nfs/dbraw/zinc/89/03/91/556890391.db2.gz	FVFNIYQSBAWCPI-JOCHJYFZSA-N	1	0	437.650	3.247	50	0		IGAARO
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CC[NH+](CC2CC2)CC1	ZINC000019884394	556938221	/nfs/dbraw/zinc/93/82/21/556938221.db2.gz	GGGWNHMIXLPIRY-UHFFFAOYSA-N	1	0	437.613	3.238	50	0		IGAARO
CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ccc(C)nn4)c3)CC2)nc(C)[nH+]1	ZINC000072441616	556972989	/nfs/dbraw/zinc/97/29/89/556972989.db2.gz	WJIVNKHEQNEYOV-UHFFFAOYSA-N	1	0	433.516	3.070	50	0		IGAARO
O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCC1CC[NH+](Cc2ccccc2F)CC1	ZINC000023125963	557007758	/nfs/dbraw/zinc/00/77/58/557007758.db2.gz	KHHQZHPTYFQQRS-UHFFFAOYSA-N	1	0	447.514	3.045	50	0		IGAARO
CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc4cc(OCC)ccc4n3)C2)CC1	ZINC000020387637	557012444	/nfs/dbraw/zinc/01/24/44/557012444.db2.gz	JAXBGFKKORKKPZ-OAQYLSRUSA-N	1	0	426.561	3.372	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCCCCC3)n2C)c1	ZINC000046023083	557023014	/nfs/dbraw/zinc/02/30/14/557023014.db2.gz	MXUQZFPUMHXDDP-UHFFFAOYSA-N	1	0	448.633	3.205	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@@H]2CCO)CC1	ZINC000022919748	557046665	/nfs/dbraw/zinc/04/66/65/557046665.db2.gz	FKCXPGHXYBVJSZ-QFIPXVFZSA-N	1	0	446.039	3.267	50	0		IGAARO
C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000022920130	557046942	/nfs/dbraw/zinc/04/69/42/557046942.db2.gz	YKGKPMBNWZGLNJ-KRWDZBQOSA-N	1	0	429.524	3.154	50	0		IGAARO
CC[NH+](CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1	ZINC000022926613	557048618	/nfs/dbraw/zinc/04/86/18/557048618.db2.gz	SYWXIUZOKPTNTI-OAQYLSRUSA-N	1	0	432.634	3.277	50	0		IGAARO
CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1	ZINC000033275409	557054474	/nfs/dbraw/zinc/05/44/74/557054474.db2.gz	MBMWIJBHODXZCC-GOSISDBHSA-N	1	0	444.601	3.042	50	0		IGAARO
CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1	ZINC000033275410	557054521	/nfs/dbraw/zinc/05/45/21/557054521.db2.gz	MBMWIJBHODXZCC-SFHVURJKSA-N	1	0	444.601	3.042	50	0		IGAARO
O=C(CCn1cnc2sccc2c1=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000023074290	557061539	/nfs/dbraw/zinc/06/15/39/557061539.db2.gz	SFDAUFCDDAERTN-SFHVURJKSA-N	1	0	430.961	3.455	50	0		IGAARO
Cc1cccc(C[NH+]2CCN([C@@H]3CCc4c(c(C(=O)N5CCCCC5)nn4C)C3)CC2)c1	ZINC000023354175	557086722	/nfs/dbraw/zinc/08/67/22/557086722.db2.gz	KMFSCLRHBWBVOD-JOCHJYFZSA-N	1	0	435.616	3.030	50	0		IGAARO
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1	ZINC000033315266	557097288	/nfs/dbraw/zinc/09/72/88/557097288.db2.gz	HDPWMJZWSFFTFM-IBGZPJMESA-N	1	0	430.622	3.154	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1	ZINC000024527586	557150187	/nfs/dbraw/zinc/15/01/87/557150187.db2.gz	CUWUTNVWUXTYPG-UHFFFAOYSA-N	1	0	437.009	3.478	50	0		IGAARO
CC[C@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)[NH+]1CCCC1	ZINC000024800746	557168007	/nfs/dbraw/zinc/16/80/07/557168007.db2.gz	XSEJLBOCTVDDNI-HXUWFJFHSA-N	1	0	429.586	3.424	50	0		IGAARO
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1	ZINC000026567094	557245216	/nfs/dbraw/zinc/24/52/16/557245216.db2.gz	XGPKKBIOXBDGDZ-QHCPKHFHSA-N	1	0	446.551	3.320	50	0		IGAARO
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C(C)C)cc1	ZINC000026567362	557245224	/nfs/dbraw/zinc/24/52/24/557245224.db2.gz	MBNKJQXMRCTSQP-HSZRJFAPSA-N	1	0	438.572	3.149	50	0		IGAARO
Cc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NCCC[NH+]2CCOCC2)C1=O	ZINC000101189208	557262986	/nfs/dbraw/zinc/26/29/86/557262986.db2.gz	KUZOSZWFAJSWSB-PGMHBOJBSA-N	1	0	439.943	3.488	50	0		IGAARO
CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCCc4ccccc4)CC3)C2=O)cc1	ZINC000100215994	557370582	/nfs/dbraw/zinc/37/05/82/557370582.db2.gz	QPNGOZLAICMVLU-XMMPIXPASA-N	1	0	435.568	3.358	50	0		IGAARO
O=C(NCCN1CCOCC1)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1	ZINC000225513130	557733070	/nfs/dbraw/zinc/73/30/70/557733070.db2.gz	COESLXCYTFKJHU-DMTNHVFBSA-N	1	0	448.611	3.071	50	0		IGAARO
CCn1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2cc(OC)c(OC)cc2c1=O	ZINC000004143235	562942281	/nfs/dbraw/zinc/94/22/81/562942281.db2.gz	DJOGHQKNEJJZFL-IRXDYDNUSA-N	1	0	429.561	3.136	50	0		IGAARO
CCn1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2cc(OC)c(OC)cc2c1=O	ZINC000004143237	562942320	/nfs/dbraw/zinc/94/23/20/562942320.db2.gz	DJOGHQKNEJJZFL-IAGOWNOFSA-N	1	0	429.561	3.136	50	0		IGAARO
O=C(CCc1nnc2ccc(NCc3ccccc3)nn21)NC[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000009743390	562976414	/nfs/dbraw/zinc/97/64/14/562976414.db2.gz	ANWOAGKLIFXTRM-HXUWFJFHSA-N	1	0	447.587	3.050	50	0		IGAARO
O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)c1cccc(F)c1	ZINC000020208316	563024035	/nfs/dbraw/zinc/02/40/35/563024035.db2.gz	GHGXMGLQUDDOGV-UHFFFAOYSA-N	1	0	447.436	3.424	50	0		IGAARO
Fc1ccc(Cn2nc(C[NH2+]CCN3CCOCC3)c(-c3ccccc3)n2)c(Cl)c1	ZINC000261491646	568734108	/nfs/dbraw/zinc/73/41/08/568734108.db2.gz	AZCPOSHSSAQIJK-UHFFFAOYSA-N	1	0	429.927	3.208	50	0		IGAARO
Clc1ccc(Cn2nc(C[NH2+]CCCN3CCOCC3)c(-c3ccccc3)n2)cc1	ZINC000261491707	568734493	/nfs/dbraw/zinc/73/44/93/568734493.db2.gz	DWVXCRXATWAEKL-UHFFFAOYSA-N	1	0	425.964	3.459	50	0		IGAARO
O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000005938963	568738588	/nfs/dbraw/zinc/73/85/88/568738588.db2.gz	AWGLHAUAFJZOQS-RPBOFIJWSA-N	1	0	425.569	3.191	50	0		IGAARO
CC[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000063510780	568740411	/nfs/dbraw/zinc/74/04/11/568740411.db2.gz	GCTMYXVBEVNCCE-VWNXMTODSA-N	1	0	435.616	3.278	50	0		IGAARO
CC(C)C[NH+](CCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)CC(C)C	ZINC000015679194	568805591	/nfs/dbraw/zinc/80/55/91/568805591.db2.gz	KTYJUJZGUKSCHY-UHFFFAOYSA-N	1	0	431.533	3.317	50	0		IGAARO
C[N@H+](CCCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)Cc1ccccc1	ZINC000015724271	568812348	/nfs/dbraw/zinc/81/23/48/568812348.db2.gz	ZGLBJSCFZFEQTH-UHFFFAOYSA-N	1	0	431.540	3.072	50	0		IGAARO
C[C@H]1CSc2ccc(S(=O)(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc2NC1=O	ZINC000015731223	568814667	/nfs/dbraw/zinc/81/46/67/568814667.db2.gz	ZQHUHJJUUJAINF-HNNXBMFYSA-N	1	0	449.598	3.245	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COc2ccccc2C1	ZINC000015787250	568836451	/nfs/dbraw/zinc/83/64/51/568836451.db2.gz	IVOZUYITVGANBP-FQEVSTJZSA-N	1	0	428.964	3.155	50	0		IGAARO
COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCN1Cc2ccccc2C1=O	ZINC000583652896	568837735	/nfs/dbraw/zinc/83/77/35/568837735.db2.gz	OVAMSDUZARZICI-FYYLOGMGSA-N	1	0	427.589	3.162	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCN1Cc2ccccc2C1=O	ZINC000583652898	568837744	/nfs/dbraw/zinc/83/77/44/568837744.db2.gz	OVAMSDUZARZICI-GMAHTHKFSA-N	1	0	427.589	3.162	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1	ZINC000575620784	568882927	/nfs/dbraw/zinc/88/29/27/568882927.db2.gz	MAIFVPKYEMUOKA-LJQANCHMSA-N	1	0	431.583	3.184	50	0		IGAARO
O=C(Cn1nc(C2CC2)ccc1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000575621528	568883254	/nfs/dbraw/zinc/88/32/54/568883254.db2.gz	XXUWCZAOUBLZGP-UHFFFAOYSA-N	1	0	428.536	3.055	50	0		IGAARO
CCOC(=O)C1=C(CN(Cc2cccs2)C[C@H]2CCCO2)NC(=O)N[C@H]1c1ccco1	ZINC000240668539	568911851	/nfs/dbraw/zinc/91/18/51/568911851.db2.gz	HNFLNDNMXUHNJQ-QRWLVFNGSA-N	1	0	445.541	3.193	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245242284	568913227	/nfs/dbraw/zinc/91/32/27/568913227.db2.gz	VBOJFGGJQAXEHP-OYSWMMLKSA-N	1	0	429.520	3.297	50	0		IGAARO
CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21	ZINC000064787496	568956278	/nfs/dbraw/zinc/95/62/78/568956278.db2.gz	YIKJKXZELDBVCB-QFIPXVFZSA-N	1	0	445.567	3.478	50	0		IGAARO
COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)cc1	ZINC000064814566	568963970	/nfs/dbraw/zinc/96/39/70/568963970.db2.gz	NWIJNASRCSAKLS-UHFFFAOYSA-N	1	0	445.589	3.049	50	0		IGAARO
CCCC(=O)OC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc(Br)cc2)no1)C(C)C	ZINC000036155066	568964721	/nfs/dbraw/zinc/96/47/21/568964721.db2.gz	ZSVZIEADNQEUKD-NVXWUHKLSA-N	1	0	440.338	3.490	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2c(C)onc2-c2ccc(Br)s2)CC1	ZINC000064820211	568967100	/nfs/dbraw/zinc/96/71/00/568967100.db2.gz	JIWUZVRPADEZSJ-UHFFFAOYSA-N	1	0	441.395	3.231	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1	ZINC000036256338	568985078	/nfs/dbraw/zinc/98/50/78/568985078.db2.gz	JOGNBZCDQCDECN-QFIPXVFZSA-N	1	0	449.039	3.115	50	0		IGAARO
CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COC	ZINC000169679241	568990695	/nfs/dbraw/zinc/99/06/95/568990695.db2.gz	YOMKYCHPPHFXKD-TZIWHRDSSA-N	1	0	446.613	3.281	50	0		IGAARO
C[C@@H]1Cc2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)ccc2N1C(=O)C1CCC1	ZINC000169680938	568991313	/nfs/dbraw/zinc/99/13/13/568991313.db2.gz	XQJYGLDILUBLJV-QZTJIDSGSA-N	1	0	433.618	3.165	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCC[N@@H+](C)Cc3ccccc3)cc21	ZINC000064952242	568996863	/nfs/dbraw/zinc/99/68/63/568996863.db2.gz	YDNVEMJOEILFDL-UHFFFAOYSA-N	1	0	447.626	3.336	50	0		IGAARO
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC[N@@H+](C)C3CCCCC3)cc21	ZINC000064952267	568998057	/nfs/dbraw/zinc/99/80/57/568998057.db2.gz	VHCMJQDWUKWHMI-UHFFFAOYSA-N	1	0	425.620	3.078	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036345592	569080677	/nfs/dbraw/zinc/08/06/77/569080677.db2.gz	MUEDNEPSQIFPLA-HSZRJFAPSA-N	1	0	448.567	3.347	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCCCC4)nc3)cc2)CC1	ZINC000065178272	569114367	/nfs/dbraw/zinc/11/43/67/569114367.db2.gz	SKRAMRGNVPSVDC-UHFFFAOYSA-N	1	0	435.616	3.496	50	0		IGAARO
COc1ccc(-c2ccc3nc(N4CCC(C(=O)NCC[NH+](C)C)CC4)sc3n2)cc1	ZINC000065272028	569128818	/nfs/dbraw/zinc/12/88/18/569128818.db2.gz	WUCDWZDOHQWVFA-UHFFFAOYSA-N	1	0	439.585	3.261	50	0		IGAARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1	ZINC000065272965	569129243	/nfs/dbraw/zinc/12/92/43/569129243.db2.gz	WDJADKWZDLIGNV-IBGZPJMESA-N	1	0	437.609	3.264	50	0		IGAARO
C[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000170593091	569141149	/nfs/dbraw/zinc/14/11/49/569141149.db2.gz	VUKWXYKFOVFMLT-AWEZNQCLSA-N	1	0	426.380	3.462	50	0		IGAARO
O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000170613555	569146225	/nfs/dbraw/zinc/14/62/25/569146225.db2.gz	KFTCMZZYJZRMTR-IBGZPJMESA-N	1	0	426.542	3.138	50	0		IGAARO
O=C(CCc1nc(-c2ccsc2)no1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000170613554	569146292	/nfs/dbraw/zinc/14/62/92/569146292.db2.gz	KFTCMZZYJZRMTR-LJQANCHMSA-N	1	0	426.542	3.138	50	0		IGAARO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000252426685	569183312	/nfs/dbraw/zinc/18/33/12/569183312.db2.gz	KNUYMKCLEZNCKC-YJRNTSOCSA-N	1	0	432.605	3.371	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000037524391	569198606	/nfs/dbraw/zinc/19/86/06/569198606.db2.gz	KIMGMHWFRLGICQ-NZQKXSOJSA-N	1	0	432.511	3.302	50	0		IGAARO
CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1	ZINC000581819769	569211586	/nfs/dbraw/zinc/21/15/86/569211586.db2.gz	JVVVTJFMBJAQGP-QHCPKHFHSA-N	1	0	425.617	3.284	50	0		IGAARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002422434	569302272	/nfs/dbraw/zinc/30/22/72/569302272.db2.gz	XNQZASOJZYJLNJ-SUWCGCSTSA-N	1	0	441.409	3.137	50	0		IGAARO
COc1cc(C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(Br)cc1O	ZINC000078823033	569319452	/nfs/dbraw/zinc/31/94/52/569319452.db2.gz	LICCGSSTADIADZ-HNNXBMFYSA-N	1	0	434.334	3.281	50	0		IGAARO
COc1cc(C[NH2+]CCc2nncn2C)cc(Br)c1OCc1ccccc1	ZINC000078869818	569319634	/nfs/dbraw/zinc/31/96/34/569319634.db2.gz	FAAXCGFZQRVLHN-UHFFFAOYSA-N	1	0	431.334	3.498	50	0		IGAARO
O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)NCCCN1CCCCCC1=O	ZINC000079051967	569323361	/nfs/dbraw/zinc/32/33/61/569323361.db2.gz	JYNYVMSFWXVRPG-DHIUTWEWSA-N	1	0	429.605	3.264	50	0		IGAARO
COC(=O)CC1([NH2+]CC(=O)Nc2ccc(I)cc2)CCCCC1	ZINC000079075154	569324726	/nfs/dbraw/zinc/32/47/26/569324726.db2.gz	DOXAGBVQXXWDCF-UHFFFAOYSA-N	1	0	430.286	3.085	50	0		IGAARO
O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCC[NH+]1CCCC1	ZINC000020180698	569355141	/nfs/dbraw/zinc/35/51/41/569355141.db2.gz	UJEMBHKAHAPNQI-RCCKNPSSSA-N	1	0	425.916	3.319	50	0		IGAARO
CCN1c2cc(C(=O)NCC[NH+]3CCCCCC3)ccc2[S@@](=O)c2ccccc2C1=O	ZINC000020242921	569358351	/nfs/dbraw/zinc/35/83/51/569358351.db2.gz	SNPPBZBMJFDCSE-WJOKGBTCSA-N	1	0	439.581	3.439	50	0		IGAARO
C[C@@H](CSCc1ccccc1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	ZINC000095431010	569366307	/nfs/dbraw/zinc/36/63/07/569366307.db2.gz	YZCOIICUUFCEJB-FQEVSTJZSA-N	1	0	431.646	3.397	50	0		IGAARO
C[NH+](C)CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CCCC1	ZINC000095940146	569375231	/nfs/dbraw/zinc/37/52/31/569375231.db2.gz	CQGXMWSMHKEUML-SFHVURJKSA-N	1	0	436.394	3.292	50	0		IGAARO
O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000096099728	569381796	/nfs/dbraw/zinc/38/17/96/569381796.db2.gz	VDYFXLWJCDXQMD-KRWDZBQOSA-N	1	0	436.961	3.352	50	0		IGAARO
Cc1ccccc1N1CCN(C(=O)C2CC[NH+](CCc3c[nH]c4ncccc34)CC2)CC1	ZINC000096372415	569397837	/nfs/dbraw/zinc/39/78/37/569397837.db2.gz	HFJADNLPIYGBCF-UHFFFAOYSA-N	1	0	431.584	3.475	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000230006274	569417325	/nfs/dbraw/zinc/41/73/25/569417325.db2.gz	KYVZENSNHRAAHQ-KXXRBXEXSA-N	1	0	442.302	3.425	50	0		IGAARO
Cc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000056896339	569427342	/nfs/dbraw/zinc/42/73/42/569427342.db2.gz	PZYGLSHXUGZHRJ-DEOSSOPVSA-N	1	0	436.581	3.232	50	0		IGAARO
COc1cc(OC)cc([C@H](NC(=O)c2cncc(Br)c2)c2nccn2C)c1	ZINC000029130673	569427427	/nfs/dbraw/zinc/42/74/27/569427427.db2.gz	UDZMDCJNEKXNTL-KRWDZBQOSA-N	1	0	431.290	3.114	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCN1c2c(C)nn(-c3ccccc3)c2SCC1=O	ZINC000015735119	569448102	/nfs/dbraw/zinc/44/81/02/569448102.db2.gz	RTXVKTATCBYRNE-LJQANCHMSA-N	1	0	441.601	3.000	50	0		IGAARO
Cc1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c2cccc(Cl)c2n1	ZINC000670447931	569454363	/nfs/dbraw/zinc/45/43/63/569454363.db2.gz	UFUZGNBADPXIKG-RMIBCPJUSA-N	1	0	446.982	3.494	50	0		IGAARO
COc1c2ccoc2c(OC)c2oc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cc(=O)c12	ZINC000670457671	569458912	/nfs/dbraw/zinc/45/89/12/569458912.db2.gz	ILSKDKDSORNGRU-AWEZNQCLSA-N	1	0	428.485	3.264	50	0		IGAARO
CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1cccc(Br)c1	ZINC000067286184	569466894	/nfs/dbraw/zinc/46/68/94/569466894.db2.gz	PYKNNLBKGUDNLD-SFHVURJKSA-N	1	0	436.350	3.496	50	0		IGAARO
CC(C)[N@H+](CCCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccccc1	ZINC000008591304	569469235	/nfs/dbraw/zinc/46/92/35/569469235.db2.gz	GLBYKFVRGILYOR-UHFFFAOYSA-N	1	0	431.540	3.295	50	0		IGAARO
CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)[NH+](C)C)cc1	ZINC000040050665	569484195	/nfs/dbraw/zinc/48/41/95/569484195.db2.gz	VEDSATRMBAFUBT-JOCHJYFZSA-N	1	0	429.586	3.031	50	0		IGAARO
CC(C)[N@H+](C)Cc1ccccc1CNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000040092785	569487479	/nfs/dbraw/zinc/48/74/79/569487479.db2.gz	IPLRCVUPBDHYCA-UHFFFAOYSA-N	1	0	434.631	3.264	50	0		IGAARO
CC(=O)N1c2ccc(S(=O)(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2C[C@H]1C	ZINC000040146665	569492306	/nfs/dbraw/zinc/49/23/06/569492306.db2.gz	JGVCXIXACNVMLQ-UZLBHIALSA-N	1	0	425.554	3.157	50	0		IGAARO
CC[NH+](CC)CCOc1ccc(CNC(=O)CCNC(=O)NC2CCCCC2)cc1OC	ZINC000040151672	569493345	/nfs/dbraw/zinc/49/33/45/569493345.db2.gz	RCRKZKGQTINTRY-UHFFFAOYSA-N	1	0	448.608	3.054	50	0		IGAARO
CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(Cl)cc5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1	ZINC000009134389	569507017	/nfs/dbraw/zinc/50/70/17/569507017.db2.gz	AMWQGYQWGIQNCX-XMODTWTHSA-N	1	0	443.975	3.052	50	0		IGAARO
CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(Cl)cc5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1	ZINC000009134392	569507038	/nfs/dbraw/zinc/50/70/38/569507038.db2.gz	AMWQGYQWGIQNCX-NRAIQUKZSA-N	1	0	443.975	3.052	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1	ZINC000009431598	569534251	/nfs/dbraw/zinc/53/42/51/569534251.db2.gz	FGEWOFTZBZGNDG-LJQANCHMSA-N	1	0	429.565	3.200	50	0		IGAARO
C[NH+](C)CCCn1c(=O)nc(SCC(=O)Nc2ccccc2Cl)c2c1CCCC2	ZINC000009748019	569565878	/nfs/dbraw/zinc/56/58/78/569565878.db2.gz	WDRWGKVWBSXSPX-UHFFFAOYSA-N	1	0	434.993	3.458	50	0		IGAARO
Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1F	ZINC000009748030	569565880	/nfs/dbraw/zinc/56/58/80/569565880.db2.gz	YIASWPAUWDBPRO-UHFFFAOYSA-N	1	0	432.565	3.252	50	0		IGAARO
CCOc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1	ZINC000009747894	569565889	/nfs/dbraw/zinc/56/58/89/569565889.db2.gz	LKKUYZVXOQTSBP-UHFFFAOYSA-N	1	0	444.601	3.203	50	0		IGAARO
C[NH+](C)[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1	ZINC000009766833	569566874	/nfs/dbraw/zinc/56/68/74/569566874.db2.gz	LSBMNVWFVATQSO-QHCPKHFHSA-N	1	0	439.581	3.317	50	0		IGAARO
CCn1c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2nc(C)c1=O	ZINC000009864924	569572105	/nfs/dbraw/zinc/57/21/05/569572105.db2.gz	BQIDGOBBFBOKTE-HSZRJFAPSA-N	1	0	434.540	3.300	50	0		IGAARO
O=C1c2ccccc2/C(=C/NCCC[NH+]2CCOCC2)C(=O)N1c1ccccc1Cl	ZINC000002349920	132252629	/nfs/dbraw/zinc/25/26/29/132252629.db2.gz	OXTNGEWCPZRVKG-MNDPQUGUSA-N	1	0	425.916	3.180	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000004057296	132269055	/nfs/dbraw/zinc/26/90/55/132269055.db2.gz	MQGGIXIXYIEYPU-UHFFFAOYSA-N	1	0	440.975	3.409	50	0		IGAARO
CC[NH+]1CCN(c2nc(-n3nc(C)cc3C)nc3sc4c(c32)CC(C)(C)OC4)CC1	ZINC000005576614	132275508	/nfs/dbraw/zinc/27/55/08/132275508.db2.gz	MZEQNUIQCWYMNY-UHFFFAOYSA-N	1	0	426.590	3.487	50	0		IGAARO
CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1	ZINC000008607901	132287331	/nfs/dbraw/zinc/28/73/31/132287331.db2.gz	BSUABAVPGXWSTP-RUZDIDTESA-N	1	0	448.611	3.300	50	0		IGAARO
O=C1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CCN1Cc1cc2c(cc1Cl)OCO2	ZINC000011787576	132339850	/nfs/dbraw/zinc/33/98/50/132339850.db2.gz	DYVUQEFMUCXGLI-SFHVURJKSA-N	1	0	442.947	3.167	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2CCO)CC1	ZINC000022851480	519670615	/nfs/dbraw/zinc/67/06/15/519670615.db2.gz	PGRHEVVSCBBTEV-QHCPKHFHSA-N	1	0	446.039	3.472	50	0		IGAARO
CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3cc(OC)cc(OC)c3)s2)CC1	ZINC000021880800	519861045	/nfs/dbraw/zinc/86/10/45/519861045.db2.gz	ZRUCMNGDWBPYAL-UHFFFAOYSA-N	1	0	442.589	3.490	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000020488475	520474908	/nfs/dbraw/zinc/47/49/08/520474908.db2.gz	LCWNDKVIISBYTN-UHFFFAOYSA-N	1	0	429.565	3.200	50	0		IGAARO
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21	ZINC000020549020	520562071	/nfs/dbraw/zinc/56/20/71/520562071.db2.gz	ZCKMMPBAGUWCLE-CMCWBKRRSA-N	1	0	437.927	3.103	50	0		IGAARO
CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1	ZINC000011881394	520684567	/nfs/dbraw/zinc/68/45/67/520684567.db2.gz	QQVMLAIRSSEXRY-UHFFFAOYSA-N	1	0	434.544	3.287	50	0		IGAARO
CC1=C(C(=O)Nc2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2)SCCO1	ZINC000020919594	520802697	/nfs/dbraw/zinc/80/26/97/520802697.db2.gz	JUOZVFZBKUIJPZ-UHFFFAOYSA-N	1	0	425.554	3.482	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)n2C)c1	ZINC000035561091	520815637	/nfs/dbraw/zinc/81/56/37/520815637.db2.gz	BHIDUZTVACYQLQ-GOSISDBHSA-N	1	0	448.633	3.061	50	0		IGAARO
C=C1C(NCCCN2CCC([NH+]3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1	ZINC000020465567	520843673	/nfs/dbraw/zinc/84/36/73/520843673.db2.gz	CNPMDVUVDAIIBA-UHFFFAOYSA-N	1	0	444.645	3.398	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C2)CC1	ZINC000020538750	520962192	/nfs/dbraw/zinc/96/21/92/520962192.db2.gz	FTMWWCLVAOJTSB-VWLOTQADSA-N	1	0	440.632	3.383	50	0		IGAARO
CC1CCC2(CC1)OC[C@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccc(Cl)c(Cl)c1	ZINC000035981567	520967655	/nfs/dbraw/zinc/96/76/55/520967655.db2.gz	UDUSTTFRWSTCHQ-TUVDCLKLSA-N	1	0	442.387	3.419	50	0		IGAARO
CCOC(=O)c1c(C)oc2c1c(O)c(OC)c(Br)c2CN1CC[NH+](C)CC1	ZINC000020827107	521402674	/nfs/dbraw/zinc/40/26/74/521402674.db2.gz	IEQNKBXTFJWDGB-UHFFFAOYSA-N	1	0	441.322	3.142	50	0		IGAARO
CCOC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000021926753	521556327	/nfs/dbraw/zinc/55/63/27/521556327.db2.gz	YXSNEZRTSPBEJZ-UHFFFAOYSA-N	1	0	439.541	3.181	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC	ZINC000012135174	521639809	/nfs/dbraw/zinc/63/98/09/521639809.db2.gz	GTKCSYLJQMKRSI-MRXNPFEDSA-N	1	0	440.573	3.060	50	0		IGAARO
CC[NH+]1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3cccnc3)c2=O)CC1	ZINC000023086542	521695249	/nfs/dbraw/zinc/69/52/49/521695249.db2.gz	YGXJITNJILHDTQ-RUZDIDTESA-N	1	0	448.567	3.041	50	0		IGAARO
CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000012607870	521697995	/nfs/dbraw/zinc/69/79/95/521697995.db2.gz	IHTCVUCEIVUGLZ-UHFFFAOYSA-N	1	0	439.965	3.300	50	0		IGAARO
COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cc(OC)c1OC	ZINC000012445327	521899876	/nfs/dbraw/zinc/89/98/76/521899876.db2.gz	PXTADWUTFWLFKS-FQEVSTJZSA-N	1	0	444.576	3.179	50	0		IGAARO
COc1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1OC1CC[NH+](C2CCCC2)CC1	ZINC000012571283	522056950	/nfs/dbraw/zinc/05/69/50/522056950.db2.gz	VYRQWRVVLCFLPG-UHFFFAOYSA-N	1	0	426.561	3.487	50	0		IGAARO
COc1cc2c(cc1OC)-c1c(c(C(=O)NCC[NH+](C)C)nn1-c1ccccc1Cl)C2	ZINC000020733316	523020423	/nfs/dbraw/zinc/02/04/23/523020423.db2.gz	YGIVQWBMMUYEON-UHFFFAOYSA-N	1	0	440.931	3.406	50	0		IGAARO
C[NH+]1CCN([C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccsc2)CC1	ZINC000020953250	523922125	/nfs/dbraw/zinc/92/21/25/523922125.db2.gz	NHTJAPPMVRFWJH-MRXNPFEDSA-N	1	0	434.414	3.322	50	0		IGAARO
C[NH+](C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccc(F)cc2s1	ZINC000012140926	524053316	/nfs/dbraw/zinc/05/33/16/524053316.db2.gz	CVRLXSVSZOPJEN-UHFFFAOYSA-N	1	0	440.500	3.016	50	0		IGAARO
COc1ccc(OC)c(CN2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1	ZINC000022809336	524826297	/nfs/dbraw/zinc/82/62/97/524826297.db2.gz	NLQWCDFIRRZLNQ-ATIYNZHBSA-N	1	0	440.584	3.277	50	0		IGAARO
COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1	ZINC000021795209	524857523	/nfs/dbraw/zinc/85/75/23/524857523.db2.gz	SBJMUCJVEUGCFK-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)[NH+]2CCCC2)cc1	ZINC000012926827	525182697	/nfs/dbraw/zinc/18/26/97/525182697.db2.gz	YTTNYDZGCGUIAC-GOSISDBHSA-N	1	0	440.569	3.106	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)[NH+](C)C)cc1	ZINC000012804995	525186772	/nfs/dbraw/zinc/18/67/72/525186772.db2.gz	NYTAGLIDDRBBEU-HSZRJFAPSA-N	1	0	442.519	3.427	50	0		IGAARO
Cc1cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccn1	ZINC000022697964	525324394	/nfs/dbraw/zinc/32/43/94/525324394.db2.gz	KPGZBXHSCFBFQQ-QHCPKHFHSA-N	1	0	438.959	3.296	50	0		IGAARO
Cc1cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698204	525324919	/nfs/dbraw/zinc/32/49/19/525324919.db2.gz	CKZOYDVJWVCFMX-QFIPXVFZSA-N	1	0	427.932	3.494	50	0		IGAARO
COc1ccc([C@H](C[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)N2CCOCC2)cc1	ZINC000022920900	525362130	/nfs/dbraw/zinc/36/21/30/525362130.db2.gz	CRCNVMYREOJUIC-DEOSSOPVSA-N	1	0	434.536	3.453	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)cc1C	ZINC000012766411	525518249	/nfs/dbraw/zinc/51/82/49/525518249.db2.gz	ILKSPKMIAPOREZ-UHFFFAOYSA-N	1	0	435.634	3.085	50	0		IGAARO
Cc1cc2nc(C)c(=O)n(CC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2cc1C	ZINC000032974675	525670578	/nfs/dbraw/zinc/67/05/78/525670578.db2.gz	OQVAIBDYVWRMCY-UHFFFAOYSA-N	1	0	446.595	3.393	50	0		IGAARO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CC[NH+](C)CC2)cc1	ZINC000022582936	525954825	/nfs/dbraw/zinc/95/48/25/525954825.db2.gz	QRIJPUPMIZWDOK-NRFANRHFSA-N	1	0	428.964	3.000	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1	ZINC000020565132	526307955	/nfs/dbraw/zinc/30/79/55/526307955.db2.gz	HJLYDNPKZHKOFF-UHFFFAOYSA-N	1	0	425.558	3.442	50	0		IGAARO
O=C(NCC[NH+]1CCCCCC1)c1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1	ZINC000020864121	526310268	/nfs/dbraw/zinc/31/02/68/526310268.db2.gz	DKTNBPSNEBTYAE-UHFFFAOYSA-N	1	0	435.528	3.283	50	0		IGAARO
O[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1	ZINC000022892124	526314783	/nfs/dbraw/zinc/31/47/83/526314783.db2.gz	INLPHMONCSGNOQ-DQEYMECFSA-N	1	0	430.552	3.241	50	0		IGAARO
O=C(CCn1cccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012302042	526674954	/nfs/dbraw/zinc/67/49/54/526674954.db2.gz	XEWUVMAUBZJKLF-VWLOTQADSA-N	1	0	436.600	3.160	50	0		IGAARO
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1cccn1C)N1CC[NH+](C)CC1	ZINC000021152734	526849090	/nfs/dbraw/zinc/84/90/90/526849090.db2.gz	YPDVGQSLCKMKCZ-HXUWFJFHSA-N	1	0	441.963	3.360	50	0		IGAARO
O=C(c1nc2ccc(Cl)cn2c1CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1	ZINC000020454148	526916757	/nfs/dbraw/zinc/91/67/57/526916757.db2.gz	PRURBYAPDBUODO-OAQYLSRUSA-N	1	0	449.986	3.466	50	0		IGAARO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	ZINC000012788082	526922724	/nfs/dbraw/zinc/92/27/24/526922724.db2.gz	HBZGWAFVLCIUDF-JOCHJYFZSA-N	1	0	439.515	3.487	50	0		IGAARO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	ZINC000012750505	526923381	/nfs/dbraw/zinc/92/33/81/526923381.db2.gz	KHQFGTKVEWFJRR-JOCHJYFZSA-N	1	0	435.549	3.492	50	0		IGAARO
O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](C3CCOCC3)CC2)N1CCc1ccccc1	ZINC000014754504	527038883	/nfs/dbraw/zinc/03/88/83/527038883.db2.gz	KIBONSRHXXMTHL-UHFFFAOYSA-N	1	0	448.567	3.102	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000017913150	527570803	/nfs/dbraw/zinc/57/08/03/527570803.db2.gz	GVWIBPKMWMZDQG-UHFFFAOYSA-N	1	0	447.645	3.392	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1	ZINC000040744484	527580634	/nfs/dbraw/zinc/58/06/34/527580634.db2.gz	XAKXQJHWLFLMPY-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1noc2c1COc1ccccc1-2	ZINC000020484680	527667536	/nfs/dbraw/zinc/66/75/36/527667536.db2.gz	ALPGBMUPENESGL-UHFFFAOYSA-N	1	0	436.487	3.315	50	0		IGAARO
C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O	ZINC000034810920	555908766	/nfs/dbraw/zinc/90/87/66/555908766.db2.gz	ORXHDKUDASNBEV-KRWDZBQOSA-N	1	0	443.979	3.187	50	0		IGAARO
CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COC	ZINC000034832041	555912859	/nfs/dbraw/zinc/91/28/59/555912859.db2.gz	IQMBLIPARNVNHU-SFHVURJKSA-N	1	0	445.583	3.235	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)CC2)cc1C	ZINC000032772448	556335223	/nfs/dbraw/zinc/33/52/23/556335223.db2.gz	WFEICQIXCQOGGU-HSZRJFAPSA-N	1	0	443.613	3.123	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000013945995	556342993	/nfs/dbraw/zinc/34/29/93/556342993.db2.gz	FTNSUHWDVOCGMA-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3nc(CCc4ccccc4)no3)CC2)C1	ZINC000011715230	556348074	/nfs/dbraw/zinc/34/80/74/556348074.db2.gz	QIDFTYJJAZXDMU-FQEVSTJZSA-N	1	0	426.561	3.094	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1cccs1	ZINC000032795394	556357861	/nfs/dbraw/zinc/35/78/61/556357861.db2.gz	MFBUVQDTTXKTGI-CZUORRHYSA-N	1	0	436.375	3.283	50	0		IGAARO
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000014067935	556359723	/nfs/dbraw/zinc/35/97/23/556359723.db2.gz	CRMWMMQWNBTVLD-GHTZIAJQSA-N	1	0	445.585	3.410	50	0		IGAARO
COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1	ZINC000011874274	556370300	/nfs/dbraw/zinc/37/03/00/556370300.db2.gz	DJJBXROLDKXQLF-KRWDZBQOSA-N	1	0	440.548	3.041	50	0		IGAARO
CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc4cccnc4c2)CC3)CC1	ZINC000011996403	556384075	/nfs/dbraw/zinc/38/40/75/556384075.db2.gz	YGCSIGITTBMRCJ-OAQYLSRUSA-N	1	0	436.556	3.138	50	0		IGAARO
O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)[N@@H+]3CCC[C@@]123	ZINC000012023899	556387475	/nfs/dbraw/zinc/38/74/75/556387475.db2.gz	VQQUOKFSANBUJJ-CHZKFRDHSA-N	1	0	425.536	3.173	50	0		IGAARO
Cn1nc(C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)c2ccccc2c1=O	ZINC000012035642	556389840	/nfs/dbraw/zinc/38/98/40/556389840.db2.gz	ZEJTWSGZLKJIOX-OFNKIYASSA-N	1	0	430.552	3.103	50	0		IGAARO
COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2)C(C)C	ZINC000012035976	556389846	/nfs/dbraw/zinc/38/98/46/556389846.db2.gz	VZVTYQAJTOVHNS-OAQYLSRUSA-N	1	0	427.574	3.011	50	0		IGAARO
COC(=O)CCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012049252	556391849	/nfs/dbraw/zinc/39/18/49/556391849.db2.gz	SHBIKYLGKOYBBL-OAQYLSRUSA-N	1	0	434.552	3.389	50	0		IGAARO
COc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc2c1OCO2	ZINC000012056545	556394158	/nfs/dbraw/zinc/39/41/58/556394158.db2.gz	JYFDIAYHYJNYAP-HXUWFJFHSA-N	1	0	438.524	3.368	50	0		IGAARO
COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012073832	556396762	/nfs/dbraw/zinc/39/67/62/556396762.db2.gz	INNFYUGWKBZFPU-QFIPXVFZSA-N	1	0	428.577	3.121	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(=O)n(CCOc2ccccc2)n1	ZINC000032820512	556412466	/nfs/dbraw/zinc/41/24/66/556412466.db2.gz	GNCMQMMCVHZECQ-UHFFFAOYSA-N	1	0	438.572	3.241	50	0		IGAARO
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2	ZINC000014535971	556423395	/nfs/dbraw/zinc/42/33/95/556423395.db2.gz	XCZQBBAVOKMJJF-NRFANRHFSA-N	1	0	436.600	3.334	50	0		IGAARO
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C/C(C)=C/c1ccco1)CC2	ZINC000014539921	556424968	/nfs/dbraw/zinc/42/49/68/556424968.db2.gz	WZADCTULPKGAPX-XDJHFCHBSA-N	1	0	438.528	3.023	50	0		IGAARO
C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2	ZINC000012995952	556431118	/nfs/dbraw/zinc/43/11/18/556431118.db2.gz	OMVHIEBQLQNSQR-FDDCHVKYSA-N	1	0	426.582	3.436	50	0		IGAARO
Cc1nc2ccccc2nc1C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C	ZINC000014744022	556439999	/nfs/dbraw/zinc/43/99/99/556439999.db2.gz	VTFQQZLHEHGRGM-UHFFFAOYSA-N	1	0	429.524	3.367	50	0		IGAARO
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccccn3)CC2)N1Cc1ccccc1	ZINC000014747613	556441964	/nfs/dbraw/zinc/44/19/64/556441964.db2.gz	ZVUIUPFVOPNVIZ-UHFFFAOYSA-N	1	0	441.535	3.476	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O	ZINC000014747691	556441973	/nfs/dbraw/zinc/44/19/73/556441973.db2.gz	CTGMUSKQZXPXOS-UHFFFAOYSA-N	1	0	435.568	3.217	50	0		IGAARO
CCN(CC[NH+](CC)CC)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O	ZINC000014879651	556452827	/nfs/dbraw/zinc/45/28/27/556452827.db2.gz	KZAOIKVIMBPIPD-RUZDIDTESA-N	1	0	445.579	3.345	50	0		IGAARO
O=C([C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCOCC1	ZINC000029188585	556469587	/nfs/dbraw/zinc/46/95/87/556469587.db2.gz	ONOQCIKVTKOVQE-OAQYLSRUSA-N	1	0	448.489	3.213	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccc4nonc43)CC2)c(Cl)c1	ZINC000015069941	556494983	/nfs/dbraw/zinc/49/49/83/556494983.db2.gz	CWIYCDFQNJGEKP-UHFFFAOYSA-N	1	0	444.919	3.296	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1	ZINC000032709563	556502723	/nfs/dbraw/zinc/50/27/23/556502723.db2.gz	HARVBCFBEPOFSD-UHFFFAOYSA-N	1	0	439.622	3.110	50	0		IGAARO
COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)c1	ZINC000030834253	556507224	/nfs/dbraw/zinc/50/72/24/556507224.db2.gz	QPJZEVYINXQLFM-WSBKAMHLSA-O	1	0	432.475	3.159	50	0		IGAARO
CCn1nccc1C(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1	ZINC000065265705	556523372	/nfs/dbraw/zinc/52/33/72/556523372.db2.gz	OOVWLGNOSFANOH-XMMPIXPASA-N	1	0	429.528	3.218	50	0		IGAARO
CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21	ZINC000016021940	556575385	/nfs/dbraw/zinc/57/53/85/556575385.db2.gz	AUMOASYVBRCJJE-YDLHNXBPSA-N	1	0	437.927	3.102	50	0		IGAARO
CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21	ZINC000016024980	556576284	/nfs/dbraw/zinc/57/62/84/556576284.db2.gz	FKANVUAATCYCSN-FHZSFIAUSA-N	1	0	448.361	3.014	50	0		IGAARO
COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1	ZINC000016214661	556591467	/nfs/dbraw/zinc/59/14/67/556591467.db2.gz	DNNRGYGAEDCEIB-UHFFFAOYSA-N	1	0	444.528	3.393	50	0		IGAARO
COc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccc(F)cc1	ZINC000016228225	556593549	/nfs/dbraw/zinc/59/35/49/556593549.db2.gz	HSHZIFAZMUREIG-UHFFFAOYSA-N	1	0	444.528	3.393	50	0		IGAARO
CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150926	556594150	/nfs/dbraw/zinc/59/41/50/556594150.db2.gz	OZYYHALFTLIJRG-OAQYLSRUSA-N	1	0	431.577	3.422	50	0		IGAARO
Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)C2)cc1	ZINC000032974683	556595808	/nfs/dbraw/zinc/59/58/08/556595808.db2.gz	KIDWQRWSVYGTBR-JOCHJYFZSA-N	1	0	432.568	3.268	50	0		IGAARO
CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036314000	556596582	/nfs/dbraw/zinc/59/65/82/556596582.db2.gz	JEXXZOIWXCDSJT-NRFANRHFSA-N	1	0	429.561	3.176	50	0		IGAARO
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O	ZINC000016751580	556637551	/nfs/dbraw/zinc/63/75/51/556637551.db2.gz	FOQSLXUODOMUBF-FQEVSTJZSA-N	1	0	426.444	3.143	50	0		IGAARO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1C	ZINC000040720449	556646213	/nfs/dbraw/zinc/64/62/13/556646213.db2.gz	CKWFUPKVYNDFSX-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
CCCOc1c(Br)cc(C[NH2+]CCSc2nnnn2C)cc1OCC	ZINC000040721850	556647607	/nfs/dbraw/zinc/64/76/07/556647607.db2.gz	DGLGFQURKSSKQZ-UHFFFAOYSA-N	1	0	430.372	3.042	50	0		IGAARO
C[C@H](CCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1)[NH+]1CCCC1	ZINC000033018609	556665560	/nfs/dbraw/zinc/66/55/60/556665560.db2.gz	PUXKRZHRMHDLDY-LJQANCHMSA-N	1	0	443.551	3.302	50	0		IGAARO
O=C1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc2c(c1)OCCO2	ZINC000018088274	556683626	/nfs/dbraw/zinc/68/36/26/556683626.db2.gz	STXBJZSPEROKKR-SFHVURJKSA-N	1	0	425.872	3.057	50	0		IGAARO
COc1ccc(-c2c(C)oc3cc(OCC[NH+]4CCC(C(N)=O)CC4)ccc3c2=O)cc1	ZINC000013609420	556702611	/nfs/dbraw/zinc/70/26/11/556702611.db2.gz	IYXZVSYERGGWOY-UHFFFAOYSA-N	1	0	436.508	3.353	50	0		IGAARO
c1csc(CNc2nc3nonc3nc2N2CCC[N@H+](Cc3cccs3)CC2)c1	ZINC000055252198	556738906	/nfs/dbraw/zinc/73/89/06/556738906.db2.gz	XEAKSSGNDSRDDW-UHFFFAOYSA-N	1	0	427.559	3.460	50	0		IGAARO
COc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C(=O)N2CCCC2)cc1OC	ZINC000058224758	556773535	/nfs/dbraw/zinc/77/35/35/556773535.db2.gz	JTLQKUAUTSSTJQ-KRWDZBQOSA-N	1	0	446.573	3.426	50	0		IGAARO
Cc1ccsc1C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1	ZINC000064158182	556823072	/nfs/dbraw/zinc/82/30/72/556823072.db2.gz	RKWFQRFFYVBMJE-KRWDZBQOSA-N	1	0	425.554	3.154	50	0		IGAARO
Cc1ccsc1C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1	ZINC000064158184	556823128	/nfs/dbraw/zinc/82/31/28/556823128.db2.gz	RKWFQRFFYVBMJE-QGZVFWFLSA-N	1	0	425.554	3.154	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1Cl	ZINC000067603968	556843525	/nfs/dbraw/zinc/84/35/25/556843525.db2.gz	MPQKGBLACCQPLL-UHFFFAOYSA-N	1	0	430.940	3.401	50	0		IGAARO
Cc1c(C(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)sc2nc[nH]c(=O)c12	ZINC000033073414	556852660	/nfs/dbraw/zinc/85/26/60/556852660.db2.gz	QIENVIDRPCGSRH-UHFFFAOYSA-N	1	0	428.533	3.117	50	0		IGAARO
O=C(NCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	ZINC000033131341	556871569	/nfs/dbraw/zinc/87/15/69/556871569.db2.gz	LVOREOBTHAABBF-UHFFFAOYSA-N	1	0	427.998	3.120	50	0		IGAARO
O=C(CCc1cccnc1)NCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2	ZINC000019742327	556886247	/nfs/dbraw/zinc/88/62/47/556886247.db2.gz	SAERJFLRPJCWHT-UHFFFAOYSA-N	1	0	446.580	3.195	50	0		IGAARO
Cc1cccn2c(CN3CC[NH+](C(C)C)CC3)c(C(=O)N(C)CCc3ccccc3)nc12	ZINC000019789597	556914546	/nfs/dbraw/zinc/91/45/46/556914546.db2.gz	NCFWPBNCKQVZQM-UHFFFAOYSA-N	1	0	433.600	3.483	50	0		IGAARO
O=C(CCC1CCCCC1)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1	ZINC000020166507	556993740	/nfs/dbraw/zinc/99/37/40/556993740.db2.gz	AQZZGDPFMPFGPV-JWQCQUIFSA-N	1	0	427.633	3.169	50	0		IGAARO
C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCc2cscn2)C[C@H](C)O1	ZINC000020254990	557003745	/nfs/dbraw/zinc/00/37/45/557003745.db2.gz	PTPCUKDICVDLQX-OKILXGFUSA-N	1	0	433.965	3.026	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)CCCn2cnc3c(C)cccc3c2=O)[NH+]2CCCC2)cc1	ZINC000010745172	557023670	/nfs/dbraw/zinc/02/36/70/557023670.db2.gz	UEJBMWJEZDJOOK-HSZRJFAPSA-N	1	0	448.567	3.447	50	0		IGAARO
CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1	ZINC000048308623	557059478	/nfs/dbraw/zinc/05/94/78/557059478.db2.gz	RNZGTXLSMVLAJY-HXUWFJFHSA-N	1	0	445.011	3.085	50	0		IGAARO
Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCn1nc2n(c1=O)CCCC2	ZINC000048302122	557063318	/nfs/dbraw/zinc/06/33/18/557063318.db2.gz	WLRROLPHWSFCNJ-UHFFFAOYSA-N	1	0	428.968	3.076	50	0		IGAARO
Cc1ccsc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	ZINC000023129317	557066241	/nfs/dbraw/zinc/06/62/41/557066241.db2.gz	AQTBCYOBSYJUNM-CQSZACIVSA-N	1	0	431.512	3.476	50	0		IGAARO
CSc1nc2nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1	ZINC000017363023	557074078	/nfs/dbraw/zinc/07/40/78/557074078.db2.gz	CPKLLFXBSBPDPI-UHFFFAOYSA-N	1	0	438.601	3.176	50	0		IGAARO
CCN1CC[NH+](C2CCN(C(=O)c3ccc(-c4cccs4)nc3N(C)C)CC2)CC1	ZINC000023340049	557085922	/nfs/dbraw/zinc/08/59/22/557085922.db2.gz	KBBRSRGSABTGEO-UHFFFAOYSA-N	1	0	427.618	3.118	50	0		IGAARO
COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1	ZINC000011614668	557211275	/nfs/dbraw/zinc/21/12/75/557211275.db2.gz	YVWYGIYERDABIY-LJQANCHMSA-N	1	0	440.883	3.340	50	0		IGAARO
O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[N@@H+]1CCc2ccccc2C1	ZINC000101372697	557278853	/nfs/dbraw/zinc/27/88/53/557278853.db2.gz	TXZLAZSJWJRVOW-UHFFFAOYSA-N	1	0	431.536	3.226	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000105050424	557473985	/nfs/dbraw/zinc/47/39/85/557473985.db2.gz	RTXOTWVFTCYHRU-NFBKMPQASA-N	1	0	432.536	3.373	50	0		IGAARO
CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000225758898	557773710	/nfs/dbraw/zinc/77/37/10/557773710.db2.gz	MEPXIYVHUFAFNY-QFIPXVFZSA-N	1	0	441.597	3.158	50	0		IGAARO
O=C(C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1)c1ccco1	ZINC000012429539	557838850	/nfs/dbraw/zinc/83/88/50/557838850.db2.gz	PSXINAGKSNTSOR-QHCPKHFHSA-N	1	0	436.552	3.349	50	0		IGAARO
C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000006577534	562947656	/nfs/dbraw/zinc/94/76/56/562947656.db2.gz	ZKLSTLYBTHUDFT-ZBBFOALVSA-N	1	0	437.499	3.226	50	0		IGAARO
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000009268626	562968690	/nfs/dbraw/zinc/96/86/90/562968690.db2.gz	MOKFZOSUGUWJFW-UHFFFAOYSA-N	1	0	429.542	3.459	50	0		IGAARO
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000009301058	562969107	/nfs/dbraw/zinc/96/91/07/562969107.db2.gz	UNKXALCNEQSFTH-UHFFFAOYSA-N	1	0	447.601	3.307	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1	ZINC000012982424	562983786	/nfs/dbraw/zinc/98/37/86/562983786.db2.gz	UOCWGYYPUUKRJD-HSZRJFAPSA-N	1	0	437.565	3.198	50	0		IGAARO
C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000106135554	568624971	/nfs/dbraw/zinc/62/49/71/568624971.db2.gz	QEGALPRRMDKWHL-FGTMMUONSA-N	1	0	438.638	3.054	50	0		IGAARO
COc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc1OCC(=O)N1CCCC1	ZINC000025259360	568649568	/nfs/dbraw/zinc/64/95/68/568649568.db2.gz	DRHMBUFVTQDGKM-UHFFFAOYSA-N	1	0	437.584	3.451	50	0		IGAARO
COc1cc2cc(C[NH2+]CCc3nc(C)n[nH]3)c(=O)n(CC3CCCCC3)c2cc1OC	ZINC000299802370	568758198	/nfs/dbraw/zinc/75/81/98/568758198.db2.gz	LEFUJDLPONNCJX-UHFFFAOYSA-N	1	0	439.560	3.358	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc2)cc1	ZINC000084544251	568798641	/nfs/dbraw/zinc/79/86/41/568798641.db2.gz	UQYDFMSWJRUWNU-GOSISDBHSA-N	1	0	445.585	3.204	50	0		IGAARO
CC(C)[NH+]1CCC(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@H]2CCO)CC1	ZINC000104482255	568837343	/nfs/dbraw/zinc/83/73/43/568837343.db2.gz	QWSRIFXBPOWUCS-HXUWFJFHSA-N	1	0	429.527	3.327	50	0		IGAARO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015999221	568862313	/nfs/dbraw/zinc/86/23/13/568862313.db2.gz	SPGLMFFCGIPHHR-CMCWBKRRSA-N	1	0	435.911	3.186	50	0		IGAARO
C[NH+]1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000575442981	568868079	/nfs/dbraw/zinc/86/80/79/568868079.db2.gz	MPTSESKQVWQYNH-FQEVSTJZSA-N	1	0	446.507	3.273	50	0		IGAARO
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1	ZINC000575620778	568883036	/nfs/dbraw/zinc/88/30/36/568883036.db2.gz	MAIFVPKYEMUOKA-IBGZPJMESA-N	1	0	431.583	3.184	50	0		IGAARO
Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1	ZINC000012983142	568894739	/nfs/dbraw/zinc/89/47/39/568894739.db2.gz	WTJCRIDEWKVVEG-LJQANCHMSA-N	1	0	427.549	3.491	50	0		IGAARO
CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1	ZINC000012989772	568895283	/nfs/dbraw/zinc/89/52/83/568895283.db2.gz	ZMTLDCKXKHYTJW-JOCHJYFZSA-N	1	0	443.544	3.019	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245242240	568913304	/nfs/dbraw/zinc/91/33/04/568913304.db2.gz	PGRHCBYLMMDTGD-FYBXHKAZSA-N	1	0	429.520	3.297	50	0		IGAARO
CC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C	ZINC000169680292	568990795	/nfs/dbraw/zinc/99/07/95/568990795.db2.gz	JPBSWCCJEULJAV-MHECFPHRSA-N	1	0	425.598	3.473	50	0		IGAARO
COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1	ZINC000169681900	568992796	/nfs/dbraw/zinc/99/27/96/568992796.db2.gz	BNIPEAZRNUJVST-QDSKXPNFSA-N	1	0	435.568	3.214	50	0		IGAARO
COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1	ZINC000036309126	568995818	/nfs/dbraw/zinc/99/58/18/568995818.db2.gz	BWMNXSVSOOBQRK-UGKGYDQZSA-N	1	0	444.597	3.033	50	0		IGAARO
COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)CC2CC2)c1	ZINC000036309318	568995859	/nfs/dbraw/zinc/99/58/59/568995859.db2.gz	IYKFUFJACGNUFC-VGSWGCGISA-N	1	0	444.597	3.354	50	0		IGAARO
O=C(Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N2CCCCCC2)c1)c1cccc(Cl)c1	ZINC000065025434	569090649	/nfs/dbraw/zinc/09/06/49/569090649.db2.gz	BNDNDTGSDCNWHL-UHFFFAOYSA-N	1	0	441.963	3.413	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1	ZINC000006868542	569092728	/nfs/dbraw/zinc/09/27/28/569092728.db2.gz	JXMLJTCJADNDFA-IBGZPJMESA-N	1	0	429.565	3.200	50	0		IGAARO
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1	ZINC000036390952	569097665	/nfs/dbraw/zinc/09/76/65/569097665.db2.gz	GDKGEMUZHSLXAT-ROUUACIJSA-N	1	0	445.585	3.204	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCC2)cc1C	ZINC000065074885	569099310	/nfs/dbraw/zinc/09/93/10/569099310.db2.gz	XWMPZSCEFXFYGM-UHFFFAOYSA-N	1	0	432.634	3.059	50	0		IGAARO
CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCC2)cc1	ZINC000065074864	569099327	/nfs/dbraw/zinc/09/93/27/569099327.db2.gz	MKEBTEYBXIMABR-UHFFFAOYSA-N	1	0	446.661	3.332	50	0		IGAARO
CCc1nc2cc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)cnc2nc1CC	ZINC000065227530	569118130	/nfs/dbraw/zinc/11/81/30/569118130.db2.gz	AKQQHLAIHMLIBD-UHFFFAOYSA-N	1	0	438.620	3.358	50	0		IGAARO
O=C(c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000065255825	569122956	/nfs/dbraw/zinc/12/29/56/569122956.db2.gz	WOYPHZUJOOOWCM-XMMPIXPASA-N	1	0	445.542	3.334	50	0		IGAARO
Cc1cc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)nn1C	ZINC000065265709	569127043	/nfs/dbraw/zinc/12/70/43/569127043.db2.gz	ZTSPXRLBOWBIFS-XMMPIXPASA-N	1	0	429.528	3.044	50	0		IGAARO
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000065273017	569129197	/nfs/dbraw/zinc/12/91/97/569129197.db2.gz	MJGHDUQPIPPBRU-GOSISDBHSA-N	1	0	425.598	3.336	50	0		IGAARO
Cc1scc2nc(C(=O)N3CC[NH+](C4CCCC4)CC3)nc(N3CCSCC3)c12	ZINC000065283421	569130113	/nfs/dbraw/zinc/13/01/13/569130113.db2.gz	DGRMPWXSVUBUMZ-UHFFFAOYSA-N	1	0	431.631	3.253	50	0		IGAARO
Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCC[NH+]3CCCCC3)sc12	ZINC000065293992	569131195	/nfs/dbraw/zinc/13/11/95/569131195.db2.gz	XKUNBYDMSPLBFW-UHFFFAOYSA-N	1	0	426.590	3.137	50	0		IGAARO
NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)c1	ZINC000089830408	569165648	/nfs/dbraw/zinc/16/56/48/569165648.db2.gz	RXTBAOFFFIRMIN-HSZRJFAPSA-N	1	0	435.549	3.115	50	0		IGAARO
COCc1c(Br)cccc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000089895930	569166801	/nfs/dbraw/zinc/16/68/01/569166801.db2.gz	APQSCECAGQIWMU-AWEZNQCLSA-N	1	0	428.371	3.152	50	0		IGAARO
CCCC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N1CCCS1(=O)=O	ZINC000089950241	569168665	/nfs/dbraw/zinc/16/86/65/569168665.db2.gz	SEGFMKDQLBHZDV-QFIPXVFZSA-N	1	0	435.634	3.129	50	0		IGAARO
Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)[nH+]1	ZINC000016994422	569169806	/nfs/dbraw/zinc/16/98/06/569169806.db2.gz	UUTSMVIGWSVMJZ-UHFFFAOYSA-N	1	0	443.617	3.211	50	0		IGAARO
COc1cccc(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)c1	ZINC000002125678	569184031	/nfs/dbraw/zinc/18/40/31/569184031.db2.gz	HDQONPFINLODRO-MQBMDEIXSA-N	1	0	440.584	3.102	50	0		IGAARO
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1	ZINC000252452356	569184149	/nfs/dbraw/zinc/18/41/49/569184149.db2.gz	DOAKQEGKLVLLEL-ZWKOTPCHSA-N	1	0	440.510	3.030	50	0		IGAARO
CCOc1ccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1OCC	ZINC000017315429	569184569	/nfs/dbraw/zinc/18/45/69/569184569.db2.gz	PPNFGFZEEMBUQP-UHFFFAOYSA-N	1	0	439.560	3.145	50	0		IGAARO
COC[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F	ZINC000170656151	569192508	/nfs/dbraw/zinc/19/25/08/569192508.db2.gz	CBLQYQXEVLGGOG-CYBMUJFWSA-N	1	0	429.361	3.103	50	0		IGAARO
COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccccc2OC)CC1	ZINC000037559989	569200844	/nfs/dbraw/zinc/20/08/44/569200844.db2.gz	QGKCITYAIBXGNW-UHFFFAOYSA-N	1	0	428.529	3.356	50	0		IGAARO
C[NH+](C)CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)OC(C)(C)C)C1	ZINC000253417640	569266411	/nfs/dbraw/zinc/26/64/11/569266411.db2.gz	OOTOCVLWKZFMGV-HOYKHHGWSA-N	1	0	431.577	3.394	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CN1C1Cc2ccccc2C1	ZINC000019883731	569331648	/nfs/dbraw/zinc/33/16/48/569331648.db2.gz	ROTKDMUBHFSYHA-BDYUSTAISA-N	1	0	443.591	3.302	50	0		IGAARO
Cc1cc(C)n(CCCNc2nc(NC3CC3)nc(NCCCn3nc(C)cc3C)[nH+]2)n1	ZINC000095446207	569367284	/nfs/dbraw/zinc/36/72/84/569367284.db2.gz	UGTYQTNNTALWIZ-UHFFFAOYSA-N	1	0	438.584	3.077	50	0		IGAARO
COc1ccccc1N1CCN(C(=O)C2CC[NH+](CCc3c[nH]c4ncccc34)CC2)CC1	ZINC000096372410	569397825	/nfs/dbraw/zinc/39/78/25/569397825.db2.gz	ASSRLHMDNDSJBB-UHFFFAOYSA-N	1	0	447.583	3.175	50	0		IGAARO
C[NH+](C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccccc1	ZINC000029954465	569439812	/nfs/dbraw/zinc/43/98/12/569439812.db2.gz	BJCNFIQCXQSZOV-QFBILLFUSA-N	1	0	430.346	3.221	50	0		IGAARO
CCOc1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1Cl	ZINC000670462201	569461087	/nfs/dbraw/zinc/46/10/87/569461087.db2.gz	UAUMZPSFAQCGDG-NBTXJNEHSA-N	1	0	425.960	3.036	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000008430931	569464271	/nfs/dbraw/zinc/46/42/71/569464271.db2.gz	KRLPTORVOCZNTE-UHFFFAOYSA-N	1	0	429.586	3.161	50	0		IGAARO
COc1cc2c(c3oc(=O)c(CCC(=O)NCCC[NH+](C)C)c(C)c13)CCC(C)(C)O2	ZINC000008764596	569474598	/nfs/dbraw/zinc/47/45/98/569474598.db2.gz	LVLUSKSLHWUXHO-UHFFFAOYSA-N	1	0	430.545	3.214	50	0		IGAARO
C[NH+](C)CCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2	ZINC000008791660	569476282	/nfs/dbraw/zinc/47/62/82/569476282.db2.gz	QZTMMNSQVRBKHG-UHFFFAOYSA-N	1	0	442.556	3.222	50	0		IGAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000008876202	569481040	/nfs/dbraw/zinc/48/10/40/569481040.db2.gz	XRIBIFLLYHAMCH-FAFZWHIHSA-N	1	0	442.025	3.025	50	0		IGAARO
CCCCC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C(C)C	ZINC000040072631	569485974	/nfs/dbraw/zinc/48/59/74/569485974.db2.gz	KOLANBCBLPKENW-UHFFFAOYSA-N	1	0	436.043	3.135	50	0		IGAARO
COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)c1	ZINC000040108709	569488565	/nfs/dbraw/zinc/48/85/65/569488565.db2.gz	BMAFLDLJFGCDPB-OAQYLSRUSA-N	1	0	445.585	3.037	50	0		IGAARO
CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1	ZINC000040145515	569492144	/nfs/dbraw/zinc/49/21/44/569492144.db2.gz	SWWHBPWMUCVEGA-UHFFFAOYSA-N	1	0	433.560	3.348	50	0		IGAARO
C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1	ZINC000040146740	569492379	/nfs/dbraw/zinc/49/23/79/569492379.db2.gz	VVTCPASPIBEBPO-GOSISDBHSA-N	1	0	439.597	3.242	50	0		IGAARO
COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cc1	ZINC000245279562	569502058	/nfs/dbraw/zinc/50/20/58/569502058.db2.gz	IDOCJHDKVFNTLU-SIKLNZKXSA-N	1	0	431.529	3.133	50	0		IGAARO
COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C	ZINC000069378848	569503583	/nfs/dbraw/zinc/50/35/83/569503583.db2.gz	OFBPTXQVRFJXDF-FQEVSTJZSA-N	1	0	429.948	3.331	50	0		IGAARO
CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(Cl)cc5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1	ZINC000009134390	569507055	/nfs/dbraw/zinc/50/70/55/569507055.db2.gz	AMWQGYQWGIQNCX-ZVVFGRKBSA-N	1	0	443.975	3.052	50	0		IGAARO
CC(C)[NH+](CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(C)C	ZINC000009217176	569512262	/nfs/dbraw/zinc/51/22/62/569512262.db2.gz	WFBDCKNBAFARRX-UHFFFAOYSA-N	1	0	449.661	3.201	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009332913	569523113	/nfs/dbraw/zinc/52/31/13/569523113.db2.gz	DTKIXLBQVYIXOU-FVJVTNMWSA-N	1	0	435.911	3.388	50	0		IGAARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000009641918	569555778	/nfs/dbraw/zinc/55/57/78/569555778.db2.gz	MKURGWCZNJBQLV-QFIPXVFZSA-N	1	0	441.597	3.256	50	0		IGAARO
C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc1=O)CCC2	ZINC000009745292	569565624	/nfs/dbraw/zinc/56/56/24/569565624.db2.gz	NTHBMMIEMSSMRE-UHFFFAOYSA-N	1	0	440.491	3.043	50	0		IGAARO
CC[N@H+](CCCNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O)Cc1ccccc1	ZINC000009848493	569571230	/nfs/dbraw/zinc/57/12/30/569571230.db2.gz	KORNPCHMKKXIJJ-UHFFFAOYSA-N	1	0	437.569	3.048	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+]2CCCC[C@H]2CC)c(=O)c2cc3sc(C)cc3n21	ZINC000009848621	569571257	/nfs/dbraw/zinc/57/12/57/569571257.db2.gz	SZDKLWXPWWZEEY-QGZVFWFLSA-N	1	0	443.617	3.352	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c2cc3sc(C)cc3n21	ZINC000009848641	569571264	/nfs/dbraw/zinc/57/12/64/569571264.db2.gz	YWDKGXOJGOPLJT-HZPDHXFCSA-N	1	0	443.617	3.351	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+]2CCCC[C@@H]2CC)c(=O)c2cc3sc(C)cc3n21	ZINC000009848620	569571278	/nfs/dbraw/zinc/57/12/78/569571278.db2.gz	SZDKLWXPWWZEEY-KRWDZBQOSA-N	1	0	443.617	3.352	50	0		IGAARO
Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4ccccc4n3CC[NH+]3CCCCC3)c12	ZINC000036616994	569584991	/nfs/dbraw/zinc/58/49/91/569584991.db2.gz	LNRYTLOBCBCOTG-UHFFFAOYSA-N	1	0	431.544	3.673	50	0		IGAARO
CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1	ZINC000006802218	132279091	/nfs/dbraw/zinc/27/90/91/132279091.db2.gz	PVRCBYOKFDFUFA-UHFFFAOYSA-N	1	0	425.602	3.365	50	0		IGAARO
Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3ccco3)ccc21	ZINC000009187157	132307649	/nfs/dbraw/zinc/30/76/49/132307649.db2.gz	IDTFOOFEUSFMEE-UHFFFAOYSA-N	1	0	430.512	3.178	50	0		IGAARO
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C	ZINC000013120516	132345204	/nfs/dbraw/zinc/34/52/04/132345204.db2.gz	QJYQNFJYSDSJDU-UHFFFAOYSA-N	1	0	437.613	3.463	50	0		IGAARO
CCOC[C@H](O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1	ZINC000011843264	520158657	/nfs/dbraw/zinc/15/86/57/520158657.db2.gz	GRUYDEODRINIIX-QGZVFWFLSA-N	1	0	426.985	3.357	50	0		IGAARO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1	ZINC000020874770	520713915	/nfs/dbraw/zinc/71/39/15/520713915.db2.gz	KCIQSBGFZPPRMX-UHFFFAOYSA-N	1	0	437.378	3.407	50	0		IGAARO
CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1	ZINC000035421655	520863016	/nfs/dbraw/zinc/86/30/16/520863016.db2.gz	RDVNPHGJNNNEEA-UHFFFAOYSA-N	1	0	437.584	3.372	50	0		IGAARO
CCOC(=O)N1CCC([N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)CC1	ZINC000012207534	520923357	/nfs/dbraw/zinc/92/33/57/520923357.db2.gz	GMZYXABNOGFIPB-OAQYLSRUSA-N	1	0	425.533	3.286	50	0		IGAARO
CCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(OCC[NH+](CC)CC)c2)cc1	ZINC000041157266	521203204	/nfs/dbraw/zinc/20/32/04/521203204.db2.gz	KATGQPDHDAGXTO-UHFFFAOYSA-N	1	0	436.574	3.293	50	0		IGAARO
CCCC[C@H]1C[N@H+](CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1	ZINC000012244945	521250876	/nfs/dbraw/zinc/25/08/76/521250876.db2.gz	ABIKKFOJLGOHTO-IBGZPJMESA-N	1	0	434.540	3.383	50	0		IGAARO
CCOC(=O)c1c2cc(OC[C@H](O)C[NH2+]CCN(C)C)ccc2oc1-c1ccccc1	ZINC000022586460	521420220	/nfs/dbraw/zinc/42/02/20/521420220.db2.gz	BBZIUIUVODXOAO-GOSISDBHSA-N	1	0	426.513	3.167	50	0		IGAARO
CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1	ZINC000016819080	521483004	/nfs/dbraw/zinc/48/30/04/521483004.db2.gz	XLYZYHCUVDOKAR-KRWDZBQOSA-N	1	0	436.386	3.184	50	0		IGAARO
CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)c1	ZINC000022809425	521547979	/nfs/dbraw/zinc/54/79/79/521547979.db2.gz	UVKAVXQXORDLJD-URXFXBBRSA-N	1	0	442.556	3.038	50	0		IGAARO
COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@H+](Cc1ccc(C)cc1)CC2	ZINC000020778959	521777365	/nfs/dbraw/zinc/77/73/65/521777365.db2.gz	VOJXBEDWMAHFFL-UHFFFAOYSA-N	1	0	447.535	3.018	50	0		IGAARO
COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O	ZINC000022697766	522062319	/nfs/dbraw/zinc/06/23/19/522062319.db2.gz	SCNWEFQVMQEFOG-RUZDIDTESA-N	1	0	448.567	3.124	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1	ZINC000012678524	522070326	/nfs/dbraw/zinc/07/03/26/522070326.db2.gz	UHIBURWNOXWVNJ-KEWFZMHCSA-N	1	0	441.597	3.118	50	0		IGAARO
COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OCc1ccc(Cl)nc1	ZINC000022109411	522451096	/nfs/dbraw/zinc/45/10/96/522451096.db2.gz	SQPXGXMZFXRUKD-UHFFFAOYSA-N	1	0	434.953	3.118	50	0		IGAARO
COCCN(Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000012703181	523751615	/nfs/dbraw/zinc/75/16/15/523751615.db2.gz	GJIGHVWXCRSKRK-HSZRJFAPSA-N	1	0	438.612	3.386	50	0		IGAARO
COC(=O)[C@H](CCSC)NC(=S)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000020676373	523900927	/nfs/dbraw/zinc/90/09/27/523900927.db2.gz	JXGBOUXFAHXKSB-FQEVSTJZSA-N	1	0	431.627	3.127	50	0		IGAARO
C[NH+]1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(-c3ccccc3F)cs2)CC1	ZINC000022798109	523912961	/nfs/dbraw/zinc/91/29/61/523912961.db2.gz	FSATXKWIXKHYQV-UHFFFAOYSA-N	1	0	449.555	3.455	50	0		IGAARO
C[NH+]1CCN([C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccsc2)CC1	ZINC000020953247	523918663	/nfs/dbraw/zinc/91/86/63/523918663.db2.gz	NHTJAPPMVRFWJH-INIZCTEOSA-N	1	0	434.414	3.322	50	0		IGAARO
COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)Cc2ccc(C)cn2)CC1	ZINC000012307581	523925608	/nfs/dbraw/zinc/92/56/08/523925608.db2.gz	OTHVXEXIAAMAPV-LJQANCHMSA-N	1	0	441.572	3.249	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)CCn3cccn3)CC2)c(Cl)c1	ZINC000012711329	523925763	/nfs/dbraw/zinc/92/57/63/523925763.db2.gz	GVVVCBVFBFVWOW-KRWDZBQOSA-N	1	0	434.968	3.235	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1C	ZINC000020455166	524039854	/nfs/dbraw/zinc/03/98/54/524039854.db2.gz	CFAZGBDMBIJCOF-UHFFFAOYSA-N	1	0	439.604	3.201	50	0		IGAARO
Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(C(C)C)C2)c1	ZINC000020782787	524105630	/nfs/dbraw/zinc/10/56/30/524105630.db2.gz	WIOCUHJUEXHNEY-GOTSBHOMSA-N	1	0	437.584	3.332	50	0		IGAARO
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCNC(=O)c2ccc(Br)cc2)C1	ZINC000058192159	524881857	/nfs/dbraw/zinc/88/18/57/524881857.db2.gz	XKHMRUKHUIQCQO-HOTGVXAUSA-N	1	0	438.410	3.442	50	0		IGAARO
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1	ZINC000012227901	524925275	/nfs/dbraw/zinc/92/52/75/524925275.db2.gz	ITFQFXZPPYEIPL-UHFFFAOYSA-N	1	0	431.577	3.079	50	0		IGAARO
COc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CC[NH+](C)CC2)cc1	ZINC000022579772	525359765	/nfs/dbraw/zinc/35/97/65/525359765.db2.gz	DIKMMSSHXXOHQK-FQEVSTJZSA-N	1	0	432.362	3.176	50	0		IGAARO
CSCCC[NH+]1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1	ZINC000012152560	525449789	/nfs/dbraw/zinc/44/97/89/525449789.db2.gz	HKZRWUICYOCAGW-HNNXBMFYSA-N	1	0	430.599	3.375	50	0		IGAARO
COc1cccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)c1	ZINC000021873691	526213258	/nfs/dbraw/zinc/21/32/58/526213258.db2.gz	QJMJSXIJDDMZDQ-UHFFFAOYSA-N	1	0	429.528	3.438	50	0		IGAARO
O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000022619260	526480153	/nfs/dbraw/zinc/48/01/53/526480153.db2.gz	LRMJWZKLLYOWBP-FUHIMQAGSA-N	1	0	431.964	3.158	50	0		IGAARO
Cc1nc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)nn1-c1ccc(F)cc1	ZINC000015193179	526655990	/nfs/dbraw/zinc/65/59/90/526655990.db2.gz	CEVCXFYZJLPUPT-UHFFFAOYSA-N	1	0	428.899	3.372	50	0		IGAARO
O=C(CCn1cccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1	ZINC000012586422	526674200	/nfs/dbraw/zinc/67/42/00/526674200.db2.gz	UHMFXLWPBJGDTK-QFIPXVFZSA-N	1	0	428.552	3.332	50	0		IGAARO
O=C(NCc1cccnc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035870014	526767579	/nfs/dbraw/zinc/76/75/79/526767579.db2.gz	AKMNKAGVPZLBCJ-ILBGXUMGSA-N	1	0	430.527	3.400	50	0		IGAARO
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1	ZINC000040744548	527580741	/nfs/dbraw/zinc/58/07/41/527580741.db2.gz	GTMFWNOKLBTIEG-UHFFFAOYSA-N	1	0	436.299	3.057	50	0		IGAARO
O=C(NCCC[NH+]1CCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1	ZINC000021527862	527664818	/nfs/dbraw/zinc/66/48/18/527664818.db2.gz	FJLNEHJQKFQXGY-UHFFFAOYSA-N	1	0	443.551	3.303	50	0		IGAARO
CCCCC[n+]1cccc(C(=O)N2c3c(=O)[nH]c(NC(=O)C(C)C)nc3N[C@@H](C)[C@@H]2C)c1	ZINC000008384364	535141002	/nfs/dbraw/zinc/14/10/02/535141002.db2.gz	PCFDDQPDTVFYPT-HOTGVXAUSA-O	1	0	441.556	3.104	50	0		IGAARO
Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000071889578	555725756	/nfs/dbraw/zinc/72/57/56/555725756.db2.gz	YCBZTKRUIFIAKL-UHFFFAOYSA-N	1	0	429.446	3.426	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740533	555883683	/nfs/dbraw/zinc/88/36/83/555883683.db2.gz	RTXOTWVFTCYHRU-REWPJTCUSA-N	1	0	432.536	3.373	50	0		IGAARO
Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1	ZINC000008396311	556163598	/nfs/dbraw/zinc/16/35/98/556163598.db2.gz	CRJCOMPMHJJFJP-RPWUZVMVSA-O	1	0	445.518	3.216	50	0		IGAARO
COc1cc(OC)c(OC)cc1C[NH+]1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1	ZINC000011840461	556364659	/nfs/dbraw/zinc/36/46/59/556364659.db2.gz	QJCALTFWYMKWAI-GOSISDBHSA-N	1	0	445.585	3.430	50	0		IGAARO
O=C(NCCCO)c1cn([C@H]2CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)nn1	ZINC000012050268	556392121	/nfs/dbraw/zinc/39/21/21/556392121.db2.gz	JVILOWTZYQCIJM-FQEVSTJZSA-N	1	0	435.528	3.020	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC	ZINC000012054807	556393888	/nfs/dbraw/zinc/39/38/88/556393888.db2.gz	GHQNIXCSBHSDCU-HXUWFJFHSA-N	1	0	432.586	3.340	50	0		IGAARO
COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3F)CC2)C1=O	ZINC000014535269	556423194	/nfs/dbraw/zinc/42/31/94/556423194.db2.gz	RTZBSMXFZRRIGM-UHFFFAOYSA-N	1	0	439.531	3.314	50	0		IGAARO
C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CCCOC	ZINC000014539264	556424956	/nfs/dbraw/zinc/42/49/56/556424956.db2.gz	LMQWKKIBWUXDON-PTXOJBNSSA-N	1	0	429.561	3.297	50	0		IGAARO
COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)N(C)C)C2)cc1OC	ZINC000014731912	556436820	/nfs/dbraw/zinc/43/68/20/556436820.db2.gz	PZQCCMWSCSIWAP-MSOLQXFVSA-N	1	0	443.519	3.008	50	0		IGAARO
O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1	ZINC000014733347	556437526	/nfs/dbraw/zinc/43/75/26/556437526.db2.gz	ZOFRSFXWIHTNSD-SANMLTNESA-N	1	0	427.548	3.479	50	0		IGAARO
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2	ZINC000014742482	556439484	/nfs/dbraw/zinc/43/94/84/556439484.db2.gz	JKLVXGZXMUEGPF-PRYZXDJCSA-N	1	0	428.646	3.128	50	0		IGAARO
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)c1	ZINC000013039614	556445324	/nfs/dbraw/zinc/44/53/24/556445324.db2.gz	DKCALZSEWLZGTO-UHFFFAOYSA-N	1	0	445.585	3.036	50	0		IGAARO
COc1ccc(CN(C)Cc2ccon2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014981347	556470854	/nfs/dbraw/zinc/47/08/54/556470854.db2.gz	ACZAKFCSSSVARA-JOCHJYFZSA-N	1	0	425.529	3.187	50	0		IGAARO
C[C@@H]1C[NH+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)C[C@@H](C)O1	ZINC000032899227	556524575	/nfs/dbraw/zinc/52/45/75/556524575.db2.gz	OIVJXYBYXLBQJT-WOJBJXKFSA-N	1	0	433.556	3.223	50	0		IGAARO
Cc1cc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CC[NH+](C)CC1	ZINC000032901799	556537783	/nfs/dbraw/zinc/53/77/83/556537783.db2.gz	SJTLTDSINZWUMD-ABVOBTCJSA-N	1	0	438.616	3.406	50	0		IGAARO
C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	ZINC000032906898	556554630	/nfs/dbraw/zinc/55/46/30/556554630.db2.gz	WTMUDAAUNQJGTQ-KRWDZBQOSA-N	1	0	430.346	3.180	50	0		IGAARO
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000015856094	556557505	/nfs/dbraw/zinc/55/75/05/556557505.db2.gz	OWDBMNUBOQKUNX-UHFFFAOYSA-N	1	0	439.531	3.111	50	0		IGAARO
COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1Cl	ZINC000033326783	556561743	/nfs/dbraw/zinc/56/17/43/556561743.db2.gz	SXYMESOFALGFPT-UHFFFAOYSA-N	1	0	430.940	3.401	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000015996849	556572082	/nfs/dbraw/zinc/57/20/82/556572082.db2.gz	UXADPAGYIDYXOP-MSZDEVHKSA-N	1	0	429.520	3.149	50	0		IGAARO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009765	556573688	/nfs/dbraw/zinc/57/36/88/556573688.db2.gz	KCMMFVVBYHOAIY-UAKAABGRSA-N	1	0	435.911	3.334	50	0		IGAARO
COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC	ZINC000036307473	556596572	/nfs/dbraw/zinc/59/65/72/556596572.db2.gz	AVNJYWJRZLTSFF-FQEVSTJZSA-N	1	0	443.519	3.474	50	0		IGAARO
O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1	ZINC000072312059	556597293	/nfs/dbraw/zinc/59/72/93/556597293.db2.gz	XMVCXQDFORKIOO-MRXNPFEDSA-N	1	0	441.333	3.276	50	0		IGAARO
Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)cc1	ZINC000032987101	556606925	/nfs/dbraw/zinc/60/69/25/556606925.db2.gz	IXEZWANZNZAMIN-INIZCTEOSA-N	1	0	447.630	3.323	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c(C)c1	ZINC000016599210	556616834	/nfs/dbraw/zinc/61/68/34/556616834.db2.gz	LIVOGJLJRWCVHF-QFIPXVFZSA-N	1	0	443.613	3.123	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)n[nH]1	ZINC000409413057	556640315	/nfs/dbraw/zinc/64/03/15/556640315.db2.gz	ARKMUCMONBPIJB-AVRDEDQJSA-N	1	0	426.561	3.438	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000409413462	556640786	/nfs/dbraw/zinc/64/07/86/556640786.db2.gz	IDLBWXARRNAEEO-UGKGYDQZSA-N	1	0	440.588	3.398	50	0		IGAARO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)C1	ZINC000005144159	556642232	/nfs/dbraw/zinc/64/22/32/556642232.db2.gz	KFADAJRYAZAAGO-QZTJIDSGSA-N	1	0	430.622	3.029	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1	ZINC000033012095	556660475	/nfs/dbraw/zinc/66/04/75/556660475.db2.gz	SRBXPGKUPPJBLK-UHFFFAOYSA-N	1	0	431.540	3.159	50	0		IGAARO
O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3c(F)ccc(F)c3F)CC2)CC1	ZINC000055198450	556737714	/nfs/dbraw/zinc/73/77/14/556737714.db2.gz	NAKIUFXQPLIDGX-UHFFFAOYSA-N	1	0	446.517	3.492	50	0		IGAARO
O=C(CCn1cccn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055310769	556740010	/nfs/dbraw/zinc/74/00/10/556740010.db2.gz	MEYSZYZATLRMHL-HXUWFJFHSA-N	1	0	435.494	3.105	50	0		IGAARO
CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3C)nc1=O)CCC2	ZINC000005254213	556747271	/nfs/dbraw/zinc/74/72/71/556747271.db2.gz	BWOMEBLUXSHZHF-UHFFFAOYSA-N	1	0	428.602	3.421	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000061931337	556762602	/nfs/dbraw/zinc/76/26/02/556762602.db2.gz	UVNBHTBTYNDYFU-RQXXJAGISA-N	1	0	441.409	3.137	50	0		IGAARO
Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F	ZINC000058162653	556765996	/nfs/dbraw/zinc/76/59/96/556765996.db2.gz	LBCBFUZRWDXZAP-UHFFFAOYSA-N	1	0	426.536	3.349	50	0		IGAARO
CCN(CC)C(=O)c1ccc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1	ZINC000005345293	556767445	/nfs/dbraw/zinc/76/74/45/556767445.db2.gz	IOMIZCIIIVLICK-UHFFFAOYSA-N	1	0	425.529	3.183	50	0		IGAARO
COc1cc(I)c(Cl)cc1C(=O)NC[C@H](C)C[NH+]1CCCC1	ZINC000058226890	556773810	/nfs/dbraw/zinc/77/38/10/556773810.db2.gz	ZOSTVHPWHQTIMB-NSHDSACASA-N	1	0	436.721	3.415	50	0		IGAARO
Cc1cccn2c(C[N@H+](C)CCc3cnn(C)c3)c(C(=O)N(C)CCc3ccccc3)nc12	ZINC000019535172	556793871	/nfs/dbraw/zinc/79/38/71/556793871.db2.gz	KXHKNLUJXTXTLU-UHFFFAOYSA-N	1	0	444.583	3.365	50	0		IGAARO
Cc1cc(C(=O)CN(C)C2CC[NH+](C)CC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000003293534	556810667	/nfs/dbraw/zinc/81/06/67/556810667.db2.gz	UJXMREFFAKQWQF-UHFFFAOYSA-N	1	0	449.599	3.101	50	0		IGAARO
C[C@@H](CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[NH+]1CCCC1	ZINC000033131309	556871628	/nfs/dbraw/zinc/87/16/28/556871628.db2.gz	JSZNEOJETCKKAW-INIZCTEOSA-N	1	0	427.998	3.119	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)CC1	ZINC000033261228	556898864	/nfs/dbraw/zinc/89/88/64/556898864.db2.gz	XGICJLDJTTWQIJ-UHFFFAOYSA-N	1	0	448.546	3.394	50	0		IGAARO
O=C(N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1)C1(O)CCCC1	ZINC000072145298	556899580	/nfs/dbraw/zinc/89/95/80/556899580.db2.gz	DMMDTKRZQIAOIL-LJQANCHMSA-N	1	0	425.495	3.124	50	0		IGAARO
COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1OC	ZINC000019771090	556913081	/nfs/dbraw/zinc/91/30/81/556913081.db2.gz	HYGUTCLNIUHNEO-NRFANRHFSA-N	1	0	427.520	3.270	50	0		IGAARO
CCCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000019772012	556913164	/nfs/dbraw/zinc/91/31/64/556913164.db2.gz	XBTVXENGPKBWCQ-FQEVSTJZSA-N	1	0	426.513	3.347	50	0		IGAARO
Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)CC1	ZINC000019789582	556914553	/nfs/dbraw/zinc/91/45/53/556914553.db2.gz	VXXOSVXNNHSAGF-DEOSSOPVSA-N	1	0	437.607	3.472	50	0		IGAARO
O=C(c1nc2sccn2c1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1)N1CCCCC1	ZINC000019837675	556928278	/nfs/dbraw/zinc/92/82/78/556928278.db2.gz	QYKCZGPVNAMWDZ-LJQANCHMSA-N	1	0	445.633	3.099	50	0		IGAARO
CCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1	ZINC000019848235	556930178	/nfs/dbraw/zinc/93/01/78/556930178.db2.gz	TUZWNSIBMGCHLZ-MCADVSAISA-N	1	0	437.584	3.304	50	0		IGAARO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1	ZINC000019884349	556938260	/nfs/dbraw/zinc/93/82/60/556938260.db2.gz	SAYCNTJYNINOMG-IBGZPJMESA-N	1	0	425.602	3.499	50	0		IGAARO
O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1	ZINC000020272024	557004789	/nfs/dbraw/zinc/00/47/89/557004789.db2.gz	HJNHTWOPLWATFR-VWLOTQADSA-N	1	0	429.568	3.358	50	0		IGAARO
O=C(c1cccc(F)c1)N1CCC([NH2+][C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1	ZINC000020353585	557009469	/nfs/dbraw/zinc/00/94/69/557009469.db2.gz	WFAPQLTWVYPJLV-IBGZPJMESA-N	1	0	429.879	3.005	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1ccsc1	ZINC000023133315	557017099	/nfs/dbraw/zinc/01/70/99/557017099.db2.gz	PPYRCEHECSANRD-LJQANCHMSA-N	1	0	449.623	3.321	50	0		IGAARO
COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCc1ccccc1	ZINC000022942547	557053848	/nfs/dbraw/zinc/05/38/48/557053848.db2.gz	WYHXEYDIBFDYSN-UHFFFAOYSA-N	1	0	435.362	3.459	50	0		IGAARO
Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)[nH+]1	ZINC000082230408	557061462	/nfs/dbraw/zinc/06/14/62/557061462.db2.gz	KTUIEMQNBSGHDU-UHFFFAOYSA-N	1	0	443.495	3.185	50	0		IGAARO
COC(=O)c1ccc(-c2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)cc1	ZINC000023360957	557087980	/nfs/dbraw/zinc/08/79/80/557087980.db2.gz	ABIDOWRYQHVNRI-JOCHJYFZSA-N	1	0	432.524	3.198	50	0		IGAARO
CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)CC1	ZINC000033308643	557089425	/nfs/dbraw/zinc/08/94/25/557089425.db2.gz	BRVSYSRTUSCOOZ-NRFANRHFSA-N	1	0	448.567	3.154	50	0		IGAARO
Cc1nc2c(c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1)C[N@H+](Cc1ccccc1)CC2	ZINC000049400803	557096384	/nfs/dbraw/zinc/09/63/84/557096384.db2.gz	WLUAERNNQMKRGE-FQEVSTJZSA-N	1	0	444.579	3.248	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000049686625	557117642	/nfs/dbraw/zinc/11/76/42/557117642.db2.gz	IVNFQVHFWRUKIF-RQXXJAGISA-N	1	0	442.302	3.425	50	0		IGAARO
CC[NH+](CC)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1	ZINC000018019179	557219055	/nfs/dbraw/zinc/21/90/55/557219055.db2.gz	OIBUUMZIGKFIBD-HXUWFJFHSA-N	1	0	449.642	3.348	50	0		IGAARO
CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(OC)c(OC)c1	ZINC000026913810	557251342	/nfs/dbraw/zinc/25/13/42/557251342.db2.gz	PRMWZJTUJKSTTB-UHFFFAOYSA-N	1	0	429.536	3.404	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000101343062	557279197	/nfs/dbraw/zinc/27/91/97/557279197.db2.gz	SPGLMFFCGIPHHR-FDGPYGQJSA-N	1	0	435.911	3.186	50	0		IGAARO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000101410620	557284010	/nfs/dbraw/zinc/28/40/10/557284010.db2.gz	LCYCYKCRGGTNNL-FDGPYGQJSA-N	1	0	435.911	3.186	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](C)O	ZINC000105002836	557470325	/nfs/dbraw/zinc/47/03/25/557470325.db2.gz	YTPLKSFBDOCQGF-UGKGYDQZSA-N	1	0	446.613	3.281	50	0		IGAARO
COCCN(C[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000105018738	557473078	/nfs/dbraw/zinc/47/30/78/557473078.db2.gz	GPHXXHAXWKQFBV-LADGPHEKSA-N	1	0	428.548	3.471	50	0		IGAARO
C[NH+](C)CCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000003358082	562934760	/nfs/dbraw/zinc/93/47/60/562934760.db2.gz	TXMRXMDBHDZHHL-OUKQBFOZSA-N	1	0	428.492	3.337	50	0		IGAARO
COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC	ZINC000023374878	568613577	/nfs/dbraw/zinc/61/35/77/568613577.db2.gz	CWELYUUSTIQUIL-JOCHJYFZSA-N	1	0	428.573	3.214	50	0		IGAARO
CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1	ZINC000023374999	568613988	/nfs/dbraw/zinc/61/39/88/568613988.db2.gz	RXEVPPXMXYWWJH-NRFANRHFSA-N	1	0	425.577	3.432	50	0		IGAARO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc2c(=O)[nH]nc1-2	ZINC000263588195	568761079	/nfs/dbraw/zinc/76/10/79/568761079.db2.gz	QHQVRSQSQARBKP-UHFFFAOYSA-N	1	0	445.317	3.062	50	0		IGAARO
O=C(CNC(=O)c1cccc(Br)c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000084363228	568797403	/nfs/dbraw/zinc/79/74/03/568797403.db2.gz	WLSKGBOXNVRREP-UHFFFAOYSA-N	1	0	448.336	3.099	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000583652764	568837750	/nfs/dbraw/zinc/83/77/50/568837750.db2.gz	YTSZHHLZYOSNQG-VXNXHJTFSA-N	1	0	441.616	3.165	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000226932200	568885600	/nfs/dbraw/zinc/88/56/00/568885600.db2.gz	XNQZASOJZYJLNJ-KCXPTXFHSA-N	1	0	441.409	3.137	50	0		IGAARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229899548	568887062	/nfs/dbraw/zinc/88/70/62/568887062.db2.gz	IVNFQVHFWRUKIF-KCXPTXFHSA-N	1	0	442.302	3.425	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@H]3c3ccsc3)CC2)cc1	ZINC000241588292	568912413	/nfs/dbraw/zinc/91/24/13/568912413.db2.gz	PBROKNQRNLRGII-NQIIRXRSSA-N	1	0	447.626	3.115	50	0		IGAARO
CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1=O	ZINC000242273567	568912600	/nfs/dbraw/zinc/91/26/00/568912600.db2.gz	YDYOORRNCVKOJW-BAGYTPMASA-N	1	0	435.568	3.465	50	0		IGAARO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000245325926	568915108	/nfs/dbraw/zinc/91/51/08/568915108.db2.gz	HTVROKSUZNDXQZ-XFWGSAIBSA-N	1	0	442.874	3.323	50	0		IGAARO
C[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1	ZINC000036309658	568996372	/nfs/dbraw/zinc/99/63/72/568996372.db2.gz	QAZJRAZPCXOPMT-IERDGZPVSA-N	1	0	432.561	3.485	50	0		IGAARO
CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2)CC1	ZINC000036341637	569079335	/nfs/dbraw/zinc/07/93/35/569079335.db2.gz	TWCJMQBJRNMQTR-QHCPKHFHSA-N	1	0	436.556	3.019	50	0		IGAARO
Cc1c2cc(C)c(C)c(S(=O)(=O)NCC[NH+](C)C)c2oc1C(=O)N1CCCCCC1	ZINC000065010919	569087790	/nfs/dbraw/zinc/08/77/90/569087790.db2.gz	NYYQWUZLCPSUDD-UHFFFAOYSA-N	1	0	435.590	3.214	50	0		IGAARO
CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1	ZINC000065063024	569097728	/nfs/dbraw/zinc/09/77/28/569097728.db2.gz	QTCQIZQLQVBKBD-UHFFFAOYSA-N	1	0	425.558	3.223	50	0		IGAARO
Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCC2)c(C)c1	ZINC000065074659	569098982	/nfs/dbraw/zinc/09/89/82/569098982.db2.gz	NJCHVCMAPMDHQN-UHFFFAOYSA-N	1	0	432.634	3.059	50	0		IGAARO
Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)cc1	ZINC000065102568	569106138	/nfs/dbraw/zinc/10/61/38/569106138.db2.gz	NSPNYPYZINFRHB-UHFFFAOYSA-N	1	0	425.602	3.365	50	0		IGAARO
CCOc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000065153493	569111902	/nfs/dbraw/zinc/11/19/02/569111902.db2.gz	WQKPDGCCASEZKB-UHFFFAOYSA-N	1	0	446.551	3.401	50	0		IGAARO
CCc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1F)C[N@H+](Cc1ccccc1)CC2	ZINC000065153561	569112133	/nfs/dbraw/zinc/11/21/33/569112133.db2.gz	CKSBAYPBJCVXAZ-UHFFFAOYSA-N	1	0	438.478	3.281	50	0		IGAARO
CC(=O)Nc1ccc2nnc(-c3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)n2c1	ZINC000065209832	569116482	/nfs/dbraw/zinc/11/64/82/569116482.db2.gz	YKDASYCNUUGXIZ-UHFFFAOYSA-N	1	0	446.555	3.445	50	0		IGAARO
COc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)c(OC)c1	ZINC000065256099	569123243	/nfs/dbraw/zinc/12/32/43/569123243.db2.gz	BFLOGNYFKVVLLU-JOCHJYFZSA-N	1	0	432.524	3.180	50	0		IGAARO
O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12	ZINC000065270910	569127616	/nfs/dbraw/zinc/12/76/16/569127616.db2.gz	COYPTKVVCXSGQL-UHFFFAOYSA-N	1	0	447.514	3.052	50	0		IGAARO
C[C@H]1CN(CCSc2nnc(-c3c[nH]c4ccccc43)n2C[C@@H]2CCCO2)CCO1	ZINC000170605516	569143685	/nfs/dbraw/zinc/14/36/85/569143685.db2.gz	KJXBJKQQVTUNNF-IRXDYDNUSA-N	1	0	427.574	3.418	50	0		IGAARO
NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1	ZINC000170617466	569147296	/nfs/dbraw/zinc/14/72/96/569147296.db2.gz	SITMPWMDPRKWTH-INIZCTEOSA-N	1	0	439.940	3.118	50	0		IGAARO
CCSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21	ZINC000170621906	569147731	/nfs/dbraw/zinc/14/77/31/569147731.db2.gz	FCRPAYVNXXXNRJ-VKDGWMQASA-N	1	0	435.549	3.063	50	0		IGAARO
Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCc1ccccc1C	ZINC000089689359	569161326	/nfs/dbraw/zinc/16/13/26/569161326.db2.gz	HKCXBSPSJVYGCP-QFIPXVFZSA-N	1	0	431.540	3.202	50	0		IGAARO
O=C(NCC[NH2+]C1CC1)c1cccc(NC(=O)c2ccccc2I)c1	ZINC000170676839	569195353	/nfs/dbraw/zinc/19/53/53/569195353.db2.gz	GYCXLXZDXAKIKW-UHFFFAOYSA-N	1	0	449.292	3.025	50	0		IGAARO
Cc1cc(=O)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F	ZINC000195529522	569204238	/nfs/dbraw/zinc/20/42/38/569204238.db2.gz	ATIOQVYOHRCPKD-HUUCEWRRSA-N	1	0	436.478	3.410	50	0		IGAARO
CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NCc4ccccc4)CC3)C2)CC1	ZINC000581819786	569211552	/nfs/dbraw/zinc/21/15/52/569211552.db2.gz	KUYAXXCHNQHYLN-HSZRJFAPSA-N	1	0	428.621	3.183	50	0		IGAARO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000253389808	569264317	/nfs/dbraw/zinc/26/43/17/569264317.db2.gz	KAGCDJKHLXHNNM-TYZOXTDXSA-N	1	0	435.911	3.388	50	0		IGAARO
Cc1cc(N2CCC(CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc[nH+]1	ZINC000253406927	569265469	/nfs/dbraw/zinc/26/54/69/569265469.db2.gz	VGWNVRQVJHVMTR-UHFFFAOYSA-N	1	0	436.434	3.260	50	0		IGAARO
COC(=O)COc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1OC	ZINC000328591635	569317102	/nfs/dbraw/zinc/31/71/02/569317102.db2.gz	CFHRJZAISZQVML-KRWDZBQOSA-N	1	0	446.569	3.211	50	0		IGAARO
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1	ZINC000079486994	569331191	/nfs/dbraw/zinc/33/11/91/569331191.db2.gz	QHNZCWDACSYOPW-UHFFFAOYSA-N	1	0	430.980	3.052	50	0		IGAARO
C[NH+]1CCN(CCNC(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)CC1	ZINC000020321721	569360244	/nfs/dbraw/zinc/36/02/44/569360244.db2.gz	IMCCVHBDAUBQJR-UHFFFAOYSA-N	1	0	433.021	3.223	50	0		IGAARO
COC(=O)C1CC[NH+](CCCSc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1	ZINC000095468103	569371214	/nfs/dbraw/zinc/37/12/14/569371214.db2.gz	PSQUPWWYBOTVJM-UHFFFAOYSA-N	1	0	427.570	3.494	50	0		IGAARO
O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000095480120	569373837	/nfs/dbraw/zinc/37/38/37/569373837.db2.gz	ZOCWTJDQGWXDMH-FQEVSTJZSA-N	1	0	438.963	3.281	50	0		IGAARO
COc1ccc(Cl)cc1NCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000096008248	569379579	/nfs/dbraw/zinc/37/95/79/569379579.db2.gz	FLYXNXRBPQBQQR-FQEVSTJZSA-N	1	0	431.964	3.424	50	0		IGAARO
O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000096099729	569381830	/nfs/dbraw/zinc/38/18/30/569381830.db2.gz	VDYFXLWJCDXQMD-QGZVFWFLSA-N	1	0	436.961	3.352	50	0		IGAARO
O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)NCc1ccccc1	ZINC000096682218	569402296	/nfs/dbraw/zinc/40/22/96/569402296.db2.gz	FPWDEHHTCHQQKY-UHFFFAOYSA-N	1	0	442.563	3.420	50	0		IGAARO
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1	ZINC000058051275	569446214	/nfs/dbraw/zinc/44/62/14/569446214.db2.gz	AJPVGCHXKCCMNP-UHFFFAOYSA-N	1	0	443.613	3.308	50	0		IGAARO
NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1	ZINC000039992535	569482390	/nfs/dbraw/zinc/48/23/90/569482390.db2.gz	DLHNMZJEYWDMIC-HXUWFJFHSA-N	1	0	447.607	3.433	50	0		IGAARO
COc1ccccc1-c1cc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)no1	ZINC000040087422	569486712	/nfs/dbraw/zinc/48/67/12/569486712.db2.gz	YHQRIDQFGJERDJ-QFIPXVFZSA-N	1	0	434.540	3.459	50	0		IGAARO
O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NCCC[N@H+](Cc1ccco1)C1CCCC1	ZINC000009211337	569511728	/nfs/dbraw/zinc/51/17/28/569511728.db2.gz	LGWQJRYQSAGKFD-UHFFFAOYSA-N	1	0	447.539	3.422	50	0		IGAARO
Cc1nnc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)n1-c1ccccc1	ZINC000009254852	569516426	/nfs/dbraw/zinc/51/64/26/569516426.db2.gz	CBKANUQKIHSGPQ-UHFFFAOYSA-N	1	0	436.585	3.367	50	0		IGAARO
CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1	ZINC000009431600	569534244	/nfs/dbraw/zinc/53/42/44/569534244.db2.gz	FGEWOFTZBZGNDG-IBGZPJMESA-N	1	0	429.565	3.200	50	0		IGAARO
Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000009465604	569537984	/nfs/dbraw/zinc/53/79/84/569537984.db2.gz	QZRYHIYDAFSRCR-HXUWFJFHSA-N	1	0	445.585	3.330	50	0		IGAARO
C[NH+](C)CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2c(cccc2F)s1	ZINC000009707968	569561765	/nfs/dbraw/zinc/56/17/65/569561765.db2.gz	SDWBDFRGCQDCMX-UHFFFAOYSA-N	1	0	435.546	3.437	50	0		IGAARO
O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000009991623	569576873	/nfs/dbraw/zinc/57/68/73/569576873.db2.gz	XFWPMDWGGVNBDA-UHFFFAOYSA-N	1	0	444.373	3.481	50	0		IGAARO
Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(S(=O)(=O)N(C)C)c1C	ZINC000010281987	569580494	/nfs/dbraw/zinc/58/04/94/569580494.db2.gz	BQUXVZZKHVYMJI-UHFFFAOYSA-N	1	0	443.613	3.470	50	0		IGAARO
O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000010456923	569582389	/nfs/dbraw/zinc/58/23/89/569582389.db2.gz	SNCIWWNHJUDGBC-UHFFFAOYSA-N	1	0	434.334	3.074	50	0		IGAARO
CCCC[N@H+](C)CCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21	ZINC000003057123	132261168	/nfs/dbraw/zinc/26/11/68/132261168.db2.gz	HRIOMXSWGYOMCF-CJLVFECKSA-N	1	0	425.504	3.440	50	0		IGAARO
COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC	ZINC000006549538	132277759	/nfs/dbraw/zinc/27/77/59/132277759.db2.gz	JGVVWQOHOMPFSV-UHFFFAOYSA-N	1	0	441.547	3.404	50	0		IGAARO
CN1CCSc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc21	ZINC000006802516	132279139	/nfs/dbraw/zinc/27/91/39/132279139.db2.gz	MFTMDZGBHBIWFG-UHFFFAOYSA-N	1	0	428.577	3.310	50	0		IGAARO
CCC[NH+](CCC)CCNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009153024	132306987	/nfs/dbraw/zinc/30/69/87/132306987.db2.gz	JYIMOYQXGRICCX-IBGZPJMESA-N	1	0	441.624	3.007	50	0		IGAARO
CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)cc(C)c2c1	ZINC000021704290	519735071	/nfs/dbraw/zinc/73/50/71/519735071.db2.gz	YTXUSHAAMXRLBE-UHFFFAOYSA-N	1	0	437.588	3.320	50	0		IGAARO
CC(C)COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1	ZINC000020953559	519763634	/nfs/dbraw/zinc/76/36/34/519763634.db2.gz	UBBXUTWBNALLPO-NRFANRHFSA-N	1	0	437.631	3.050	50	0		IGAARO
CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCCc4ccccc4)CC3)C2=O)cc1	ZINC000022782353	520386155	/nfs/dbraw/zinc/38/61/55/520386155.db2.gz	QPNGOZLAICMVLU-DEOSSOPVSA-N	1	0	435.568	3.358	50	0		IGAARO
CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000020560256	520511112	/nfs/dbraw/zinc/51/11/12/520511112.db2.gz	JVUMCSGNSOZSIC-QHCPKHFHSA-N	1	0	440.588	3.116	50	0		IGAARO
CC1(C)Cc2c(C(N)=O)c(NC(=O)c3cc4ccccc4oc3=O)sc2C(C)(C)[NH2+]1	ZINC000012378177	520575528	/nfs/dbraw/zinc/57/55/28/520575528.db2.gz	NEYGGFWPPWCEEN-UHFFFAOYSA-N	1	0	425.510	3.365	50	0		IGAARO
CCOC(=O)C1CC[NH+]([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1	ZINC000021097941	520582882	/nfs/dbraw/zinc/58/28/82/520582882.db2.gz	KVHOVZDBEIXZAJ-HSZRJFAPSA-N	1	0	442.556	3.182	50	0		IGAARO
CCOc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OC(C)C	ZINC000040744646	520713788	/nfs/dbraw/zinc/71/37/88/520713788.db2.gz	CLEKIJIWGXBYJJ-UHFFFAOYSA-N	1	0	444.399	3.431	50	0		IGAARO
CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1	ZINC000021960359	520750352	/nfs/dbraw/zinc/75/03/52/520750352.db2.gz	NFVPXLVWNUKSSU-UHFFFAOYSA-N	1	0	434.540	3.094	50	0		IGAARO
CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)CC1	ZINC000012477398	520922679	/nfs/dbraw/zinc/92/26/79/520922679.db2.gz	ZSZWJBKSPLIEIR-UHFFFAOYSA-N	1	0	425.533	3.393	50	0		IGAARO
CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)/C=C/c1ccc(OC)c(OC)c1	ZINC000012429962	520977316	/nfs/dbraw/zinc/97/73/16/520977316.db2.gz	OHHZMNFAMVFCFR-VQHVLOKHSA-N	1	0	429.605	3.372	50	0		IGAARO
CCOC(=O)c1c2cc(OC[C@@H](O)C[NH2+]CCN(C)C)ccc2oc1-c1ccccc1	ZINC000022586464	521420309	/nfs/dbraw/zinc/42/03/09/521420309.db2.gz	BBZIUIUVODXOAO-SFHVURJKSA-N	1	0	426.513	3.167	50	0		IGAARO
CCCn1c2ccccc2c2cnn(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c(=O)c21	ZINC000020557140	521637859	/nfs/dbraw/zinc/63/78/59/521637859.db2.gz	ZZTSKEBKGBKDCE-UHFFFAOYSA-N	1	0	435.572	3.238	50	0		IGAARO
CC[NH+]1CCN(Cn2nc(-c3c[nH]c4ccccc34)n(C[C@H]3CCCO3)c2=S)CC1	ZINC000022874248	521689707	/nfs/dbraw/zinc/68/97/07/521689707.db2.gz	BHDWVKYFPLOWLY-QGZVFWFLSA-N	1	0	426.590	3.336	50	0		IGAARO
CC[NH+]1CCN([C@H](c2cccc(OC)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000020604716	521695537	/nfs/dbraw/zinc/69/55/37/521695537.db2.gz	VYXUTACJQMWABY-XMMPIXPASA-N	1	0	437.540	3.239	50	0	aggregator	IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2C)CC1	ZINC000012521712	521698950	/nfs/dbraw/zinc/69/89/50/521698950.db2.gz	FOPKMTVWEFVKDB-IBGZPJMESA-N	1	0	436.556	3.137	50	0		IGAARO
COc1cc(CN(C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012747340	522355240	/nfs/dbraw/zinc/35/52/40/522355240.db2.gz	AFFAHJNNPPTYBT-JOCHJYFZSA-N	1	0	428.577	3.123	50	0		IGAARO
COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040743979	522457091	/nfs/dbraw/zinc/45/70/91/522457091.db2.gz	PMVATBLOXOCNGR-CQSZACIVSA-N	1	0	437.334	3.254	50	0		IGAARO
COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040743980	522459080	/nfs/dbraw/zinc/45/90/80/522459080.db2.gz	PMVATBLOXOCNGR-AWEZNQCLSA-N	1	0	437.334	3.254	50	0		IGAARO
COCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1	ZINC000012710577	522972253	/nfs/dbraw/zinc/97/22/53/522972253.db2.gz	ILBXMMXWCPLLHZ-UHFFFAOYSA-N	1	0	438.484	3.441	50	0		IGAARO
CCn1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000035561300	523115569	/nfs/dbraw/zinc/11/55/69/523115569.db2.gz	XEJRSPCFXBUIQX-UHFFFAOYSA-N	1	0	448.633	3.296	50	0		IGAARO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1nc(C)n2c3ccoc3cc2c1=O	ZINC000020866538	523167563	/nfs/dbraw/zinc/16/75/63/523167563.db2.gz	USHNFFLSZKKTHI-GOSISDBHSA-N	1	0	427.549	3.102	50	0		IGAARO
COc1ccc(-c2nc(NCC[NH+](C)C)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1	ZINC000035929246	523222433	/nfs/dbraw/zinc/22/24/33/523222433.db2.gz	ROWIOJROSIJWMX-UHFFFAOYSA-N	1	0	433.516	3.055	50	0		IGAARO
COc1ccc(/C=C/C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cc1	ZINC000012594803	523405065	/nfs/dbraw/zinc/40/50/65/523405065.db2.gz	YSCYMVPQCNMHRQ-HQMUEHRGSA-N	1	0	430.570	3.408	50	0		IGAARO
CCc1c(C(=O)NCCc2ccc(OC)cc2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC	ZINC000012451919	523695267	/nfs/dbraw/zinc/69/52/67/523695267.db2.gz	JPFFGIQWUYCYLV-FQEVSTJZSA-N	1	0	425.573	3.185	50	0		IGAARO
COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1C1Cc2ccccc2C1	ZINC000023362822	523914492	/nfs/dbraw/zinc/91/44/92/523914492.db2.gz	GQLLWSFRHPODCR-IGKIAQTJSA-N	1	0	443.591	3.302	50	0		IGAARO
COc1cccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)[NH+]2CCCC2)c1	ZINC000012738948	524095379	/nfs/dbraw/zinc/09/53/79/524095379.db2.gz	OUEDPRPNVMBXIS-JOCHJYFZSA-N	1	0	435.524	3.025	50	0		IGAARO
COc1cccc2c1OCC(CN1CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC1)=C2	ZINC000012440794	524233549	/nfs/dbraw/zinc/23/35/49/524233549.db2.gz	USURSNFUOVXZJU-UHFFFAOYSA-N	1	0	427.589	3.172	50	0		IGAARO
C[C@@H](C1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)CC1)[NH+]1CCOCC1	ZINC000020455818	524336712	/nfs/dbraw/zinc/33/67/12/524336712.db2.gz	IDUSFYFVFVZLON-IBGZPJMESA-N	1	0	433.556	3.053	50	0		IGAARO
Cc1ccc(CN2CCCn3nc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3C2=O)cc1	ZINC000021643313	524452948	/nfs/dbraw/zinc/45/29/48/524452948.db2.gz	SIJAWGSOWUCQNL-UHFFFAOYSA-N	1	0	449.599	3.328	50	0		IGAARO
C[C@@H](CCn1cccn1)[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21	ZINC000012313787	524550672	/nfs/dbraw/zinc/55/06/72/524550672.db2.gz	SMYRWXBUZVPMHD-SFHVURJKSA-N	1	0	436.585	3.475	50	0		IGAARO
Cc1cc(O)c([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(=O)n1Cc1ccco1	ZINC000022698172	525326401	/nfs/dbraw/zinc/32/64/01/525326401.db2.gz	GWXBQWUOKZRGCL-JOCHJYFZSA-N	1	0	427.932	3.494	50	0		IGAARO
COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)n2C	ZINC000021529890	525603058	/nfs/dbraw/zinc/60/30/58/525603058.db2.gz	QSOAJNPNJVFRBO-ROUUACIJSA-N	1	0	440.588	3.412	50	0		IGAARO
COc1cccc(C[C@@]2(C3CC[NH+](Cc4ccccc4F)CC3)NC(=O)N(C)C2=O)c1	ZINC000012212610	526075329	/nfs/dbraw/zinc/07/53/29/526075329.db2.gz	KEYYDZYLXPVHLI-DEOSSOPVSA-N	1	0	425.504	3.209	50	0		IGAARO
Cc1ccc(C(=O)N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1	ZINC000012596973	526081799	/nfs/dbraw/zinc/08/17/99/526081799.db2.gz	KUAATFDHXUSMAH-DEOSSOPVSA-N	1	0	434.584	3.413	50	0		IGAARO
Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)nn1C	ZINC000015066353	526232284	/nfs/dbraw/zinc/23/22/84/526232284.db2.gz	JURBKKWRCQKHDE-XMMPIXPASA-N	1	0	436.600	3.229	50	0		IGAARO
Cc1cc(C(=O)N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc(C)n1	ZINC000012471420	526238818	/nfs/dbraw/zinc/23/88/18/526238818.db2.gz	MMLQNRDVDBRUBF-QHCPKHFHSA-N	1	0	449.599	3.117	50	0		IGAARO
Cc1nn(CCCC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c(=O)c2cc3occc3n21	ZINC000020866578	526279660	/nfs/dbraw/zinc/27/96/60/526279660.db2.gz	XDOBVMVSRVUDCF-IAGOWNOFSA-N	1	0	427.549	3.100	50	0		IGAARO
O=C([C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)N1CCSCC1	ZINC000035870704	526515814	/nfs/dbraw/zinc/51/58/14/526515814.db2.gz	NUZUJBZGCYFDJB-GGAORHGYSA-N	1	0	425.573	3.264	50	0		IGAARO
Cc1noc(C2CCN(CC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)n1	ZINC000065433570	526588896	/nfs/dbraw/zinc/58/88/96/526588896.db2.gz	BSOQFXPFQSRZLP-FQEVSTJZSA-N	1	0	431.968	3.164	50	0		IGAARO
O=C(c1cc2ncc(Br)cn2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1	ZINC000012428337	526644932	/nfs/dbraw/zinc/64/49/32/526644932.db2.gz	YGGXLBAPXBFADF-UHFFFAOYSA-N	1	0	444.377	3.218	50	0		IGAARO
O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1	ZINC000020999776	526767490	/nfs/dbraw/zinc/76/74/90/526767490.db2.gz	AMHILAOHXDJYDO-RDPSFJRHSA-N	1	0	436.506	3.409	50	0		IGAARO
Cn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)cc2sccc21	ZINC000020861993	527041076	/nfs/dbraw/zinc/04/10/76/527041076.db2.gz	XUSGAXFCWHBXOA-UHFFFAOYSA-N	1	0	430.618	3.474	50	0		IGAARO
O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1Br	ZINC000012745117	527209289	/nfs/dbraw/zinc/20/92/89/527209289.db2.gz	QNTRZRXSQUVGMY-UHFFFAOYSA-N	1	0	438.185	3.117	50	0		IGAARO
O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1CCc1ccccc1-2	ZINC000022937630	527666988	/nfs/dbraw/zinc/66/69/88/527666988.db2.gz	SGPVMAOJACYMHA-UHFFFAOYSA-N	1	0	429.568	3.113	50	0		IGAARO
CC[NH+](CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3	ZINC000002369604	535543271	/nfs/dbraw/zinc/54/32/71/535543271.db2.gz	ATJOQSSNANDDGP-UHFFFAOYSA-N	1	0	426.590	3.319	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1	ZINC000009469829	536421942	/nfs/dbraw/zinc/42/19/42/536421942.db2.gz	ZUWYXSPFVBRTFZ-UHFFFAOYSA-N	1	0	428.536	3.474	50	0		IGAARO
COc1ccc(N(C[C@H](O)C[NH+]2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000644845	555520117	/nfs/dbraw/zinc/52/01/17/555520117.db2.gz	NBXVKVYHBHZJPB-OAQYLSRUSA-N	1	0	432.586	3.292	50	0		IGAARO
Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CC[N@H+](Cc3ccccc3)C4)c2C)on1	ZINC000071889584	555725701	/nfs/dbraw/zinc/72/57/01/555725701.db2.gz	HTXDTVBUYBUVEJ-UHFFFAOYSA-N	1	0	442.523	3.360	50	0		IGAARO
CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1	ZINC000034677519	555795632	/nfs/dbraw/zinc/79/56/32/555795632.db2.gz	BMMDHPXAMLIPQJ-MRXNPFEDSA-N	1	0	438.931	3.388	50	0		IGAARO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1	ZINC000004122565	555965766	/nfs/dbraw/zinc/96/57/66/555965766.db2.gz	WTLWFOOQHAWZGI-UHFFFAOYSA-N	1	0	433.375	3.328	50	0		IGAARO
Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000032731732	556305320	/nfs/dbraw/zinc/30/53/20/556305320.db2.gz	BHFCHFSTEJTPHX-QGZVFWFLSA-N	1	0	443.548	3.001	50	0		IGAARO
COc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1OC	ZINC000009849661	556313442	/nfs/dbraw/zinc/31/34/42/556313442.db2.gz	FLCVRRSCGVIILN-UHFFFAOYSA-N	1	0	437.584	3.260	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O	ZINC000013941009	556338241	/nfs/dbraw/zinc/33/82/41/556338241.db2.gz	YOTHTEUFULXHPY-KNTRCKAVSA-N	1	0	432.362	3.457	50	0		IGAARO
CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC2CC[NH+](C3CCN(C)CC3)CC2)c1C	ZINC000011716819	556348522	/nfs/dbraw/zinc/34/85/22/556348522.db2.gz	LITLCXCXUUZNDG-UHFFFAOYSA-N	1	0	432.609	3.077	50	0		IGAARO
O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2	ZINC000011815339	556358474	/nfs/dbraw/zinc/35/84/74/556358474.db2.gz	APGKAZLVPCVSFI-DEOSSOPVSA-N	1	0	438.478	3.330	50	0		IGAARO
C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1	ZINC000011882196	556373688	/nfs/dbraw/zinc/37/36/88/556373688.db2.gz	FJGYBDOILMIRHI-NUTRWHQKSA-N	1	0	445.567	3.496	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cn3nc(C)cc3C)CC2)c(Cl)c1	ZINC000012051928	556392605	/nfs/dbraw/zinc/39/26/05/556392605.db2.gz	QZGCTLFZWSPYJV-GOSISDBHSA-N	1	0	448.995	3.461	50	0		IGAARO
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000014247719	556407469	/nfs/dbraw/zinc/40/74/69/556407469.db2.gz	GQJSUDOJNBMZHW-HXUWFJFHSA-N	1	0	447.626	3.490	50	0		IGAARO
Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2	ZINC000014530326	556420073	/nfs/dbraw/zinc/42/00/73/556420073.db2.gz	NCABHABPCOIZJD-SFHVURJKSA-N	1	0	435.597	3.469	50	0		IGAARO
COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000014533058	556421568	/nfs/dbraw/zinc/42/15/68/556421568.db2.gz	SQIXUQCQRUTZBU-UHFFFAOYSA-N	1	0	449.551	3.067	50	0		IGAARO
COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccs1)CC2	ZINC000014534851	556422778	/nfs/dbraw/zinc/42/27/78/556422778.db2.gz	RFKJJGPQUBNUJM-UHFFFAOYSA-N	1	0	443.569	3.202	50	0		IGAARO
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2	ZINC000014747252	556441826	/nfs/dbraw/zinc/44/18/26/556441826.db2.gz	LRMQSZNLOZOATH-UHFFFAOYSA-N	1	0	447.539	3.008	50	0		IGAARO
C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1	ZINC000013031461	556442543	/nfs/dbraw/zinc/44/25/43/556442543.db2.gz	KBYOCNKQZZDTPZ-HNNXBMFYSA-N	1	0	437.512	3.429	50	0		IGAARO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCN1c2ccccc2O[C@H](C)C1=O	ZINC000072272942	556445925	/nfs/dbraw/zinc/44/59/25/556445925.db2.gz	ISFVIRXBOPZVPM-CTNGQTDRSA-N	1	0	436.556	3.099	50	0		IGAARO
CC(C)Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	ZINC000014984363	556471884	/nfs/dbraw/zinc/47/18/84/556471884.db2.gz	LIVJZXGWNHYUCS-IBGZPJMESA-N	1	0	439.604	3.139	50	0		IGAARO
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(OC)c(C)c2)CC3)c1	ZINC000014988012	556473630	/nfs/dbraw/zinc/47/36/30/556473630.db2.gz	LVZRIZJIFZZIJB-GOSISDBHSA-N	1	0	449.555	3.153	50	0		IGAARO
COc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC000014994118	556476967	/nfs/dbraw/zinc/47/69/67/556476967.db2.gz	HYROXLPAZRQKBT-JOCHJYFZSA-N	1	0	448.571	3.257	50	0		IGAARO
CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN(C)Cc1ccncc1	ZINC000015067226	556493407	/nfs/dbraw/zinc/49/34/07/556493407.db2.gz	KWCFBJACHCJNDP-DEOSSOPVSA-N	1	0	438.616	3.325	50	0		IGAARO
CC[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1	ZINC000022937408	556506123	/nfs/dbraw/zinc/50/61/23/556506123.db2.gz	LMIIODLKHIBKNY-UHFFFAOYSA-N	1	0	449.599	3.429	50	0		IGAARO
O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)NCc1ccco1	ZINC000009473069	556552140	/nfs/dbraw/zinc/55/21/40/556552140.db2.gz	YFUWNWFMZBDQKE-UHFFFAOYSA-N	1	0	440.569	3.274	50	0		IGAARO
COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1	ZINC000015856085	556557537	/nfs/dbraw/zinc/55/75/37/556557537.db2.gz	UHFWUBIKQGHSDA-UHFFFAOYSA-N	1	0	441.547	3.404	50	0		IGAARO
Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](C(C)C)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21	ZINC000016010334	556573959	/nfs/dbraw/zinc/57/39/59/556573959.db2.gz	JYDJTIILAZQOPN-UVPKRVSESA-N	1	0	435.499	3.019	50	0		IGAARO
CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12	ZINC000016012171	556574162	/nfs/dbraw/zinc/57/41/62/556574162.db2.gz	BFMZDHYCAYZMNW-FSNCLGKMSA-N	1	0	447.988	3.065	50	0		IGAARO
CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21	ZINC000016021065	556574985	/nfs/dbraw/zinc/57/49/85/556574985.db2.gz	RFBLFZHETQSHPX-KEXUJGGDSA-N	1	0	441.890	3.056	50	0		IGAARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016033831	556577003	/nfs/dbraw/zinc/57/70/03/556577003.db2.gz	SNGLEXKIVJTIJL-CMCWBKRRSA-N	1	0	435.911	3.334	50	0		IGAARO
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000016261390	556594923	/nfs/dbraw/zinc/59/49/23/556594923.db2.gz	YWDFVJUKUVYHBZ-GOSISDBHSA-N	1	0	436.581	3.118	50	0		IGAARO
COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC	ZINC000036307475	556596568	/nfs/dbraw/zinc/59/65/68/556596568.db2.gz	AVNJYWJRZLTSFF-HXUWFJFHSA-N	1	0	443.519	3.474	50	0		IGAARO
Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]CCc4ccc(F)cc4)cc3)cc2n(C)c1=O	ZINC000016363918	556603369	/nfs/dbraw/zinc/60/33/69/556603369.db2.gz	FNPTYVDXJPPIKJ-RUZDIDTESA-N	1	0	449.526	3.461	50	0		IGAARO
CCc1nn(CC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cc3sccc3n21	ZINC000005109029	556636189	/nfs/dbraw/zinc/63/61/89/556636189.db2.gz	NJDLGULWXPZTSU-IYBDPMFKSA-N	1	0	429.590	3.042	50	0		IGAARO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)nn1C	ZINC000409413268	556640723	/nfs/dbraw/zinc/64/07/23/556640723.db2.gz	GQTSVSHGRBUGKK-NZQKXSOJSA-N	1	0	440.588	3.449	50	0		IGAARO
Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCCN2CCOCC2)cc1	ZINC000040720690	556646770	/nfs/dbraw/zinc/64/67/70/556646770.db2.gz	KJVOIQZNTZZWPE-UHFFFAOYSA-N	1	0	431.964	3.478	50	0		IGAARO
COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000040720885	556647174	/nfs/dbraw/zinc/64/71/74/556647174.db2.gz	FWMPNVKQMNMGCM-UHFFFAOYSA-N	1	0	447.963	3.096	50	0		IGAARO
CC(C)Oc1ccc(Br)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000040730178	556649017	/nfs/dbraw/zinc/64/90/17/556649017.db2.gz	HZFORGYFOJDNAQ-UHFFFAOYSA-N	1	0	427.364	3.216	50	0		IGAARO
C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000248044907	556658554	/nfs/dbraw/zinc/65/85/54/556658554.db2.gz	WGDYMXAVYKISAG-GCJKJVERSA-N	1	0	447.539	3.395	50	0		IGAARO
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)c(C)c1	ZINC000033904272	556723071	/nfs/dbraw/zinc/72/30/71/556723071.db2.gz	YQIPBAIWUSMCSB-KKPNIWNPSA-N	1	0	429.520	3.351	50	0		IGAARO
COc1ccc(CN(C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000055199668	556737555	/nfs/dbraw/zinc/73/75/55/556737555.db2.gz	VVODPJIQXKIEOV-OAQYLSRUSA-N	1	0	426.561	3.055	50	0		IGAARO
COCCNC(=O)c1ccc(OC2CC[NH+](C3CSCCSC3)CC2)c(Cl)c1	ZINC000055198783	556737662	/nfs/dbraw/zinc/73/76/62/556737662.db2.gz	RUFMTXZEXIUSRM-UHFFFAOYSA-N	1	0	445.050	3.408	50	0		IGAARO
CCc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n(C)n1	ZINC000055568968	556742455	/nfs/dbraw/zinc/74/24/55/556742455.db2.gz	FKORPMNLLHLNBK-FQEVSTJZSA-N	1	0	449.521	3.428	50	0		IGAARO
COc1cccc([C@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)[NH+]2CCCC2)c1	ZINC000057997474	556752199	/nfs/dbraw/zinc/75/21/99/556752199.db2.gz	KYOMXTSPJICSMA-QHCPKHFHSA-N	1	0	447.539	3.259	50	0		IGAARO
COc1cc(C)c(S(=O)(=O)N[C@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)cc1C	ZINC000058440061	556788684	/nfs/dbraw/zinc/78/86/84/556788684.db2.gz	UPGKNICRPUAEAM-JOCHJYFZSA-N	1	0	445.629	3.358	50	0		IGAARO
COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1	ZINC000065362697	556834676	/nfs/dbraw/zinc/83/46/76/556834676.db2.gz	NQZISOBAGGPGLO-UHFFFAOYSA-N	1	0	440.548	3.147	50	0		IGAARO
OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1	ZINC000062580276	556835927	/nfs/dbraw/zinc/83/59/27/556835927.db2.gz	DHXNWRGGHDYEQW-HSZRJFAPSA-N	1	0	428.540	3.349	50	0		IGAARO
CCN(Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000067338838	556842531	/nfs/dbraw/zinc/84/25/31/556842531.db2.gz	OYNQBJBXPUTRJQ-UHFFFAOYSA-N	1	0	429.586	3.030	50	0		IGAARO
O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC(CNS(=O)(=O)c2ccccc2)CC1	ZINC000067631280	556845454	/nfs/dbraw/zinc/84/54/54/556845454.db2.gz	KTJKIOWZFACJIX-UPSGKMMVSA-N	1	0	447.645	3.152	50	0		IGAARO
C[C@H]1CCC[N@H+](CCCNC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1	ZINC000033088546	556856624	/nfs/dbraw/zinc/85/66/24/556856624.db2.gz	BVJICDSZDLMWGU-ZDUSSCGKSA-N	1	0	436.438	3.255	50	0		IGAARO
C[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CCCCC1	ZINC000033131265	556871713	/nfs/dbraw/zinc/87/17/13/556871713.db2.gz	CGMBSFCIRIMXQZ-UHFFFAOYSA-N	1	0	427.998	3.119	50	0		IGAARO
CC(C)c1nc(CNCc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)cs1	ZINC000019741202	556882921	/nfs/dbraw/zinc/88/29/21/556882921.db2.gz	VDALDHRSAWPRSF-UHFFFAOYSA-N	1	0	432.619	3.043	50	0		IGAARO
COc1ccc2ccccc2c1C[N@H+]1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	ZINC000019835598	556928108	/nfs/dbraw/zinc/92/81/08/556928108.db2.gz	ANQPCPZBBKTMDT-UHFFFAOYSA-N	1	0	445.523	3.064	50	0		IGAARO
Cc1cccc(C)c1N1CC[NH+](C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1	ZINC000019909140	556942789	/nfs/dbraw/zinc/94/27/89/556942789.db2.gz	LLDRPVFTCCEETQ-FQEVSTJZSA-N	1	0	448.563	3.460	50	0		IGAARO
CCOc1cc(CNCC[NH+](C)C)c(Cl)cc1OCC(=O)NCCc1ccccc1	ZINC000019922745	556943957	/nfs/dbraw/zinc/94/39/57/556943957.db2.gz	XMPCJPNGSCUWRL-UHFFFAOYSA-N	1	0	433.980	3.128	50	0		IGAARO
Cc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1	ZINC000020100433	556980006	/nfs/dbraw/zinc/98/00/06/556980006.db2.gz	LZXOKAXSPHZKEQ-UHFFFAOYSA-N	1	0	435.568	3.280	50	0		IGAARO
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000020188639	556995904	/nfs/dbraw/zinc/99/59/04/556995904.db2.gz	BFIPUXHHEMQPTI-UHFFFAOYSA-N	1	0	434.540	3.491	50	0		IGAARO
CC[NH+]1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1	ZINC000023086554	556997482	/nfs/dbraw/zinc/99/74/82/556997482.db2.gz	ZTFSBISBJDQONK-QHCPKHFHSA-N	1	0	425.504	3.370	50	0		IGAARO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000046012333	557018864	/nfs/dbraw/zinc/01/88/64/557018864.db2.gz	UUZIMBFGRQYFGC-JOCHJYFZSA-N	1	0	440.975	3.021	50	0		IGAARO
CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2nc(C3CC3)sc2n1	ZINC000046032398	557024619	/nfs/dbraw/zinc/02/46/19/557024619.db2.gz	KNMYBDAZQRIURS-UHFFFAOYSA-N	1	0	444.557	3.466	50	0		IGAARO
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000048303435	557058767	/nfs/dbraw/zinc/05/87/67/557058767.db2.gz	BALFFEYSTYHDCJ-UHFFFAOYSA-N	1	0	444.523	3.341	50	0		IGAARO
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000023053565	557060147	/nfs/dbraw/zinc/06/01/47/557060147.db2.gz	IIUUOIWTQFSSJI-UHFFFAOYSA-N	1	0	446.482	3.140	50	0		IGAARO
CC[NH+]1CCN(CCCNS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)CC1	ZINC000033290107	557072251	/nfs/dbraw/zinc/07/22/51/557072251.db2.gz	OMNWXZIVTCQJMT-UHFFFAOYSA-N	1	0	442.676	3.103	50	0		IGAARO
CCS(=O)(=O)c1ncc(CN2CCC([NH+]3CCCCC3)CC2)n1CCc1ccccc1	ZINC000023338348	557085163	/nfs/dbraw/zinc/08/51/63/557085163.db2.gz	QQSLYCZJNRMUER-UHFFFAOYSA-N	1	0	444.645	3.370	50	0		IGAARO
CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1ccccc1F	ZINC000023471981	557093628	/nfs/dbraw/zinc/09/36/28/557093628.db2.gz	LONJPJPAYUHHMC-UHFFFAOYSA-N	1	0	441.341	3.237	50	0		IGAARO
COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2)c1	ZINC000049543487	557110549	/nfs/dbraw/zinc/11/05/49/557110549.db2.gz	XDPFAZYNTMVSDJ-YJBOKZPZSA-N	1	0	446.935	3.095	50	0		IGAARO
COc1ccc(CN2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1F	ZINC000023762268	557114839	/nfs/dbraw/zinc/11/48/39/557114839.db2.gz	JQSPVYONVKAFOF-OAQYLSRUSA-N	1	0	444.551	3.482	50	0		IGAARO
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N[C@H](c1nccn1C)c1ccccc1	ZINC000024902781	557177659	/nfs/dbraw/zinc/17/76/59/557177659.db2.gz	KTZXCLMYBFRATB-IBGZPJMESA-N	1	0	440.525	3.119	50	0		IGAARO
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1	ZINC000025421472	557209062	/nfs/dbraw/zinc/20/90/62/557209062.db2.gz	JAXWDNJORATTIN-QFIPXVFZSA-N	1	0	431.602	3.069	50	0		IGAARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1	ZINC000169772527	557212118	/nfs/dbraw/zinc/21/21/18/557212118.db2.gz	CZQRTKLPZPSVDZ-UHFFFAOYSA-N	1	0	447.505	3.493	50	0		IGAARO
COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000583647577	557241256	/nfs/dbraw/zinc/24/12/56/557241256.db2.gz	MLYNEDMKHUBXSI-XJUOHMSHSA-N	1	0	427.589	3.169	50	0		IGAARO
CC1CC[NH+]([C@@H](CNC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)CC1	ZINC000027574095	557266056	/nfs/dbraw/zinc/26/60/56/557266056.db2.gz	OZZLKCWLDBNXMV-IBGZPJMESA-N	1	0	427.570	3.453	50	0		IGAARO
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1	ZINC000014111704	557304848	/nfs/dbraw/zinc/30/48/48/557304848.db2.gz	JIXHXCFGBNINMJ-UHFFFAOYSA-N	1	0	429.605	3.255	50	0		IGAARO
COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000014161182	557311791	/nfs/dbraw/zinc/31/17/91/557311791.db2.gz	FGPXEMZBEUJCCM-JTSKRJEESA-N	1	0	445.585	3.137	50	0		IGAARO
C[C@@H]([NH2+]CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000014160858	557311830	/nfs/dbraw/zinc/31/18/30/557311830.db2.gz	VNODTSOQHYRVRS-WXTAPIANSA-N	1	0	448.567	3.191	50	0		IGAARO
COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2	ZINC000014532718	557339728	/nfs/dbraw/zinc/33/97/28/557339728.db2.gz	FARGMQUSQKVAQY-UHFFFAOYSA-N	1	0	426.561	3.080	50	0		IGAARO
COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccccc3)N3CC[NH+](C)CC3)c2=O)cc1	ZINC000023477070	557363276	/nfs/dbraw/zinc/36/32/76/557363276.db2.gz	WSOHNRAAGTZDBT-VWLOTQADSA-N	1	0	433.552	3.256	50	0		IGAARO
O=S(=O)(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Br)s1	ZINC000225574230	557394755	/nfs/dbraw/zinc/39/47/55/557394755.db2.gz	GDRSQAVXHQUCCK-GFCCVEGCSA-N	1	0	425.439	3.006	50	0		IGAARO
COCCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](C)O	ZINC000105003730	557470845	/nfs/dbraw/zinc/47/08/45/557470845.db2.gz	ACBRHOSXKLKMMX-SIKLNZKXSA-N	1	0	446.613	3.281	50	0		IGAARO
COCCN(C[C@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1c1ccccc1OC)C(=O)COC	ZINC000105018834	557472997	/nfs/dbraw/zinc/47/29/97/557472997.db2.gz	CSRKWIDSKPXGCA-VWNXMTODSA-N	1	0	440.584	3.341	50	0		IGAARO
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000107591648	557536475	/nfs/dbraw/zinc/53/64/75/557536475.db2.gz	YDSBGJOVIVWEAV-MDKPJZGXSA-N	1	0	447.373	3.216	50	0		IGAARO
O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000003447171	562935939	/nfs/dbraw/zinc/93/59/39/562935939.db2.gz	WCZJYVWROBPNCQ-IBGZPJMESA-N	1	0	441.572	3.116	50	0		IGAARO
COc1ccc([C@@H](CNC(=O)Cc2cc(OC)c(OC)c(OC)c2)[NH+]2CCCC2)cc1	ZINC000004144190	562942353	/nfs/dbraw/zinc/94/23/53/562942353.db2.gz	ZCFOEJZBMVWSOE-HXUWFJFHSA-N	1	0	428.529	3.217	50	0		IGAARO
COc1ccccc1-n1nnnc1SCC(=O)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000009792535	562976965	/nfs/dbraw/zinc/97/69/65/562976965.db2.gz	KKESGKJAXDHGMJ-UHFFFAOYSA-N	1	0	444.605	3.068	50	0		IGAARO
Cc1ccc(CN2CCSc3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc32)cc1	ZINC000020355099	563024489	/nfs/dbraw/zinc/02/44/89/563024489.db2.gz	QFGJRYXCULDYHZ-UHFFFAOYSA-N	1	0	438.641	3.475	50	0		IGAARO
CCn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2cc(OC)c(OC)cc2c1=O	ZINC000058011404	563143181	/nfs/dbraw/zinc/14/31/81/563143181.db2.gz	WCADNCMCYOUSPD-UHFFFAOYSA-N	1	0	427.545	3.129	50	0		IGAARO
Cn1c(SCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)nnc1C(F)(F)F	ZINC000018975598	568630918	/nfs/dbraw/zinc/63/09/18/568630918.db2.gz	KTQDVGMVVQDIAV-UHFFFAOYSA-N	1	0	449.502	3.424	50	0		IGAARO
CC(C)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCCc2cccc(Cl)c2)C1	ZINC000299778724	568757011	/nfs/dbraw/zinc/75/70/11/568757011.db2.gz	QAFGYEDQWDAMRL-JTHBVZDNSA-N	1	0	436.040	3.458	50	0		IGAARO
O=C(c1nnn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12)N1CCC([NH+]2CCCCC2)CC1	ZINC000263617950	568777485	/nfs/dbraw/zinc/77/74/85/568777485.db2.gz	QPLBCPBEJJWSLH-UHFFFAOYSA-N	1	0	440.935	3.241	50	0		IGAARO
CCOC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1	ZINC000032124087	568781671	/nfs/dbraw/zinc/78/16/71/568781671.db2.gz	BNAHVZVKZZZJKJ-QFBILLFUSA-N	1	0	425.533	3.211	50	0		IGAARO
COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)n2)cc1	ZINC000015679012	568805394	/nfs/dbraw/zinc/80/53/94/568805394.db2.gz	FVCHPFHJWHOTBV-QUCCMNQESA-N	1	0	441.576	3.200	50	0		IGAARO
c1ccc(C2=NN3CCC[C@@H]3[C@H]2c2ccnc3cc(OCCN4CCOCC4)ccc32)nc1	ZINC000102203252	568880950	/nfs/dbraw/zinc/88/09/50/568880950.db2.gz	OOKYRHQSMYPHOE-JWQCQUIFSA-N	1	0	443.551	3.307	50	0		IGAARO
C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)cc2F)C[C@H](C)O1	ZINC000229828389	568887132	/nfs/dbraw/zinc/88/71/32/568887132.db2.gz	JLEGKQUOEOXTNB-WYADAEROSA-N	1	0	434.556	3.062	50	0		IGAARO
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]3CCCC[C@@H]23)c(Cl)cc1Cl	ZINC000247962353	568918783	/nfs/dbraw/zinc/91/87/83/568918783.db2.gz	RCTJTKDCQITONR-ZLIFDBKOSA-N	1	0	448.416	3.236	50	0		IGAARO
COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCc3ccc4c(c3)OCO4)CC1)cn2C	ZINC000064669654	568943366	/nfs/dbraw/zinc/94/33/66/568943366.db2.gz	ANSJEMUHPAGBRA-UHFFFAOYSA-N	1	0	435.524	3.444	50	0		IGAARO
Cc1ccc(-c2nc3sc(N(C)CC(=O)NCC[NH+](C)C)nn3c2NC(C)(C)C)cc1	ZINC000064703997	568944458	/nfs/dbraw/zinc/94/44/58/568944458.db2.gz	OQTCHFLAYYQYLA-UHFFFAOYSA-N	1	0	443.621	3.091	50	0		IGAARO
Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(NC2CCCCC2)[nH+]1	ZINC000064814590	568964259	/nfs/dbraw/zinc/96/42/59/568964259.db2.gz	AFHQWRIUNKZWHO-UHFFFAOYSA-N	1	0	433.553	3.180	50	0		IGAARO
Cn1c2c(C(=O)NCCC3=CCCCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064836128	568969155	/nfs/dbraw/zinc/96/91/55/568969155.db2.gz	ILRDAXRHHZPTQS-UHFFFAOYSA-N	1	0	445.567	3.212	50	0		IGAARO
CCn1c2c(C(=O)Nc3ccc(F)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064835917	568969182	/nfs/dbraw/zinc/96/91/82/568969182.db2.gz	UEHNYWMDFGRFJG-UHFFFAOYSA-N	1	0	445.498	3.466	50	0		IGAARO
Cn1c2c(C(=O)Nc3cc(F)ccc3F)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2	ZINC000064836037	568969204	/nfs/dbraw/zinc/96/92/04/568969204.db2.gz	KXLLHUMYMPYISX-UHFFFAOYSA-N	1	0	449.461	3.122	50	0		IGAARO
CCCN(C)c1cc(COC)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1	ZINC000006774551	568983413	/nfs/dbraw/zinc/98/34/13/568983413.db2.gz	AWRAGBDDQSDRQY-UHFFFAOYSA-N	1	0	431.606	3.053	50	0		IGAARO
CCS(=O)(=O)Nc1ccc(C2(C(=O)N3CC[NH+](CC(C)C)CC3)CCCCC2)cc1	ZINC000065029465	569091084	/nfs/dbraw/zinc/09/10/84/569091084.db2.gz	VIBPPBMEYPRRFN-UHFFFAOYSA-N	1	0	435.634	3.450	50	0		IGAARO
CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1	ZINC000006875628	569095132	/nfs/dbraw/zinc/09/51/32/569095132.db2.gz	HHBVCLWENYPSNR-NHCUHLMSSA-N	1	0	429.586	3.133	50	0		IGAARO
C[C@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[NH+]1CCCC1	ZINC000065062064	569096964	/nfs/dbraw/zinc/09/69/64/569096964.db2.gz	YACMYDMEEFIUDB-OAHLLOKOSA-N	1	0	448.054	3.183	50	0		IGAARO
CC1CC[NH+](CCNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1	ZINC000065172568	569113310	/nfs/dbraw/zinc/11/33/10/569113310.db2.gz	JTAJHNOGFLKUQK-UHFFFAOYSA-N	1	0	445.567	3.154	50	0		IGAARO
Cc1nc(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1-c1ccccc1C(C)C	ZINC000170601444	569142959	/nfs/dbraw/zinc/14/29/59/569142959.db2.gz	SPJMWKZMHKXNQA-AREMUKBSSA-N	1	0	447.583	3.408	50	0		IGAARO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2	ZINC000010220906	569153030	/nfs/dbraw/zinc/15/30/30/569153030.db2.gz	LWGXAXHTGUWGFX-UHFFFAOYSA-N	1	0	435.981	3.059	50	0		IGAARO
COc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)cc1Cl	ZINC000013579120	569156104	/nfs/dbraw/zinc/15/61/04/569156104.db2.gz	VHFQMVAATJNDIR-SFHVURJKSA-N	1	0	442.932	3.474	50	0		IGAARO
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C	ZINC000002102536	569179893	/nfs/dbraw/zinc/17/98/93/569179893.db2.gz	MWPMSHAXOHRZSG-CVGQSACLSA-N	1	0	439.596	3.341	50	0		IGAARO
COc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C(C)=O)cc2OC)CC1	ZINC000170649065	569189421	/nfs/dbraw/zinc/18/94/21/569189421.db2.gz	SAKJCIYHCOBUQJ-UHFFFAOYSA-N	1	0	426.513	3.066	50	0		IGAARO
COC[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F	ZINC000170656149	569192478	/nfs/dbraw/zinc/19/24/78/569192478.db2.gz	CBLQYQXEVLGGOG-ZDUSSCGKSA-N	1	0	429.361	3.103	50	0		IGAARO
Cc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)NCC[NH+](C)C)o1	ZINC000037436210	569196156	/nfs/dbraw/zinc/19/61/56/569196156.db2.gz	FNAJUIDZGFZKRY-FLFQWRMESA-N	1	0	446.960	3.185	50	0		IGAARO
CC(C)[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccs3)CC2)CC1	ZINC000037525523	569198864	/nfs/dbraw/zinc/19/88/64/569198864.db2.gz	OCEXCPBLDKQCCQ-UHFFFAOYSA-N	1	0	440.613	3.313	50	0		IGAARO
CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1	ZINC000037525183	569198992	/nfs/dbraw/zinc/19/89/92/569198992.db2.gz	JMHFCKVWPCSTKI-UHFFFAOYSA-N	1	0	434.584	3.252	50	0		IGAARO
CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2	ZINC000078876568	569319743	/nfs/dbraw/zinc/31/97/43/569319743.db2.gz	PPXYOHXTTKWUHJ-YADHBBJMSA-N	1	0	445.604	3.007	50	0		IGAARO
CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@H](OCC)C12CCCCC2	ZINC000078876571	569319754	/nfs/dbraw/zinc/31/97/54/569319754.db2.gz	PPXYOHXTTKWUHJ-VXKWHMMOSA-N	1	0	445.604	3.007	50	0		IGAARO
O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)NCCCN1CCCCCC1=O	ZINC000079051974	569323388	/nfs/dbraw/zinc/32/33/88/569323388.db2.gz	JYNYVMSFWXVRPG-PKTZIBPZSA-N	1	0	429.605	3.264	50	0		IGAARO
O=c1c2ccc(OCCN3CC[NH+](CCO)CC3)cc2occ1-c1ccc(Cl)cc1	ZINC000095612551	569374984	/nfs/dbraw/zinc/37/49/84/569374984.db2.gz	AFFCLNKQNZVYFV-UHFFFAOYSA-N	1	0	428.916	3.102	50	0		IGAARO
C[NH+](C)CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CCCC1	ZINC000095940147	569375304	/nfs/dbraw/zinc/37/53/04/569375304.db2.gz	CQGXMWSMHKEUML-GOSISDBHSA-N	1	0	436.394	3.292	50	0		IGAARO
O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1	ZINC000057270808	569430285	/nfs/dbraw/zinc/43/02/85/569430285.db2.gz	KDSGABXMFXCZGN-HSZRJFAPSA-N	1	0	435.524	3.430	50	0		IGAARO
C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000003311850	569445536	/nfs/dbraw/zinc/44/55/36/569445536.db2.gz	PGTAKCUKHZQIGH-BJKOFHAPSA-N	1	0	441.531	3.313	50	0		IGAARO
CCOc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1Cl	ZINC000670462200	569461144	/nfs/dbraw/zinc/46/11/44/569461144.db2.gz	UAUMZPSFAQCGDG-IGSLEHJCSA-N	1	0	425.960	3.036	50	0		IGAARO
COC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1	ZINC000067285585	569466913	/nfs/dbraw/zinc/46/69/13/569466913.db2.gz	PRQJMXPKNJQVDI-NRFANRHFSA-N	1	0	446.979	3.071	50	0		IGAARO
COC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl	ZINC000067285821	569466958	/nfs/dbraw/zinc/46/69/58/569466958.db2.gz	ITKYFUIXPMUGEW-OAQYLSRUSA-N	1	0	446.979	3.071	50	0		IGAARO
CC(=O)Nc1ccc2c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000039992645	569482362	/nfs/dbraw/zinc/48/23/62/569482362.db2.gz	PJAVTABJZLOPRO-UHFFFAOYSA-N	1	0	433.508	3.280	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)cc2)CC1	ZINC000040130750	569490278	/nfs/dbraw/zinc/49/02/78/569490278.db2.gz	DXBBMZOJKJOFIP-QGZVFWFLSA-N	1	0	428.968	3.127	50	0		IGAARO
Cc1noc(C)c1C(=O)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1	ZINC000245171781	569497907	/nfs/dbraw/zinc/49/79/07/569497907.db2.gz	XUYIALRWEUGMMX-UHFFFAOYSA-N	1	0	437.466	3.132	50	0		IGAARO
Cc1ccc(NC(=O)CN2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000009069378	569500135	/nfs/dbraw/zinc/50/01/35/569500135.db2.gz	YKNDFTIQBGZCCS-UHFFFAOYSA-N	1	0	448.611	3.426	50	0		IGAARO
CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)cc2)CC1	ZINC000009338718	569523687	/nfs/dbraw/zinc/52/36/87/569523687.db2.gz	VJIZEQKARJRZBR-HSZRJFAPSA-N	1	0	446.551	3.401	50	0		IGAARO
Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCC3	ZINC000009405728	569529989	/nfs/dbraw/zinc/52/99/89/569529989.db2.gz	WRNPOZNWBWSEEL-UHFFFAOYSA-N	1	0	436.581	3.497	50	0		IGAARO
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000009585314	569549497	/nfs/dbraw/zinc/54/94/97/569549497.db2.gz	SPBXCNCQIKBMMS-OAQYLSRUSA-N	1	0	445.585	3.330	50	0		IGAARO
C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000009602177	569551687	/nfs/dbraw/zinc/55/16/87/569551687.db2.gz	OTCOJLVCPCGXDR-QGZVFWFLSA-N	1	0	427.545	3.461	50	0		IGAARO
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCC[NH+](C)C)c2c1CCC2	ZINC000009745912	569565728	/nfs/dbraw/zinc/56/57/28/569565728.db2.gz	VRFWXDMYRVQPQV-UHFFFAOYSA-N	1	0	434.993	3.376	50	0		IGAARO
CCc1nn(CC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc3sc(C)cc3n21	ZINC000009848639	569571245	/nfs/dbraw/zinc/57/12/45/569571245.db2.gz	YWDKGXOJGOPLJT-HOTGVXAUSA-N	1	0	443.617	3.351	50	0		IGAARO
O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000009961544	569575645	/nfs/dbraw/zinc/57/56/45/569575645.db2.gz	UKSOTTKIWKTHKX-UHFFFAOYSA-N	1	0	433.961	3.497	50	0		IGAARO
COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1	ZINC000010334142	569581084	/nfs/dbraw/zinc/58/10/84/569581084.db2.gz	JCVVSOQVMJHDPE-HSZRJFAPSA-N	1	0	431.536	3.418	50	0		IGAARO
Cc1cs/c(=N\C(=O)c2ccc(F)cc2)n1Cc1ccccc1C(=O)NCC[NH+](C)C	ZINC000040388336	569588137	/nfs/dbraw/zinc/58/81/37/569588137.db2.gz	BGZGUYQMUQDUOS-RWEWTDSWSA-N	1	0	440.544	3.078	50	0		IGAARO