smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1ncc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1	ZINC000012203629	521295893	/nfs/dbraw/zinc/29/58/93/521295893.db2.gz	MEIQRRFMXVPKPB-DEOSSOPVSA-N	2	0	451.659	4.135	50	0		JIAARP
COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cn(C)nc2C)CC1	ZINC000014888434	523760727	/nfs/dbraw/zinc/76/07/27/523760727.db2.gz	BOVLZFOKJUJWQE-MUUNZHRXSA-N	2	0	461.654	4.095	50	0		JIAARP
COc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1OC	ZINC000009265762	555041598	/nfs/dbraw/zinc/04/15/98/555041598.db2.gz	PCDRALKROWEDFK-UHFFFAOYSA-N	2	0	496.681	4.091	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)ccc3n2)CC1	ZINC000020153597	555673063	/nfs/dbraw/zinc/67/30/63/555673063.db2.gz	RBNBQBBJMDLBSS-NHCUHLMSSA-N	2	0	482.742	4.340	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCC([NH+]5CCCCC5)CC4)ccc3n2)CC1	ZINC000020153640	555673136	/nfs/dbraw/zinc/67/31/36/555673136.db2.gz	ZKQGCODGCQNWIA-UHFFFAOYSA-N	2	0	480.726	4.332	50	0		JIAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1	ZINC000014531462	555818748	/nfs/dbraw/zinc/81/87/48/555818748.db2.gz	WVYZRLGAYVHIFB-OYFGVDPJSA-N	2	0	489.704	4.335	50	0		JIAARP
O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1)N1CC[NH+](C2CCCCC2)CC1	ZINC000015722072	555956583	/nfs/dbraw/zinc/95/65/83/555956583.db2.gz	OGHNNWOFAIHMDW-UHFFFAOYSA-N	2	0	456.034	4.083	50	0		JIAARP
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCC[N@@H+]3CCc4ccccc4C3)cc12	ZINC000015961476	556092837	/nfs/dbraw/zinc/09/28/37/556092837.db2.gz	NZORQKRPSGFQLE-UHFFFAOYSA-N	2	0	488.705	4.030	50	0		JIAARP
CCC(CC)(CNC(=O)Nc1ccc(C)c(NC(=O)NCC(CC)(CC)[NH+](C)C)c1)[NH+](C)C	ZINC000031094586	556392030	/nfs/dbraw/zinc/39/20/30/556392030.db2.gz	BWMCGOZCWBLUNC-UHFFFAOYSA-N	2	0	462.683	4.479	50	0		JIAARP
O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@H](c1cccnc1)[NH+]1CCCCC1	ZINC000014986645	526993539	/nfs/dbraw/zinc/99/35/39/526993539.db2.gz	JVHRSHIVHBDAHO-FYYLOGMGSA-N	2	0	485.028	4.162	50	0		JIAARP
CC[NH+](C[C@@H](O)COc1ccc(OC[C@H](O)C[N@@H+](CC)C2CCCCC2)cc1)C1CCCCC1	ZINC000006512284	554548641	/nfs/dbraw/zinc/54/86/41/554548641.db2.gz	VSGSVHFSHDWESR-CLJLJLNGSA-N	2	0	476.702	4.475	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCC[N@H+](C)Cc4ccccc4)ccc3n2)CC1	ZINC000020153673	555672960	/nfs/dbraw/zinc/67/29/60/555672960.db2.gz	FBONWBMLAZMRQS-UHFFFAOYSA-N	2	0	476.694	4.104	50	0		JIAARP
O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012191576	555939157	/nfs/dbraw/zinc/93/91/57/555939157.db2.gz	MRAQNOMRRCDVCE-JOCHJYFZSA-N	2	0	467.576	4.211	50	0		JIAARP
COc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c(OC)c1	ZINC000009265773	555041753	/nfs/dbraw/zinc/04/17/53/555041753.db2.gz	YYQCQIRICCROGM-UHFFFAOYSA-N	2	0	496.681	4.091	50	0		JIAARP
Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1	ZINC000020576571	555831123	/nfs/dbraw/zinc/83/11/23/555831123.db2.gz	IUPXHTOAHZUREC-UHFFFAOYSA-N	2	0	450.656	4.382	50	0		JIAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000058152520	195367154	/nfs/dbraw/zinc/36/71/54/195367154.db2.gz	AFAQFPPNDMZHLQ-NRFANRHFSA-N	2	0	452.618	4.057	50	0		JIAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccccc2)C1	ZINC000014732966	524056414	/nfs/dbraw/zinc/05/64/14/524056414.db2.gz	YZXAGSVIMSHMJQ-FCHUYYIVSA-N	2	0	477.571	4.290	50	0		JIAARP
COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Cn1cccn1	ZINC000012028138	555886272	/nfs/dbraw/zinc/88/62/72/555886272.db2.gz	DSOGQCRYBVXYJV-UHFFFAOYSA-N	2	0	450.602	4.466	50	0		JIAARP
CCC[C@@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O	ZINC000012150497	555922859	/nfs/dbraw/zinc/92/28/59/555922859.db2.gz	KWYJANOWDKSMFL-RDGATRHJSA-N	2	0	494.602	4.492	50	0		JIAARP
COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@H+](Cc3cc(C)c(OC)cc3C)C2)cc1	ZINC000012191647	555939116	/nfs/dbraw/zinc/93/91/16/555939116.db2.gz	RIMUBBNDHJDUKU-FTJBHMTQSA-N	2	0	497.705	4.220	50	0		JIAARP
Cc1cccc2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)c(N3CCC([NH+]4CCC(O)CC4)CC3)nc12	ZINC000020453204	524973181	/nfs/dbraw/zinc/97/31/81/524973181.db2.gz	HGJLSZYNPQCMQJ-HSZRJFAPSA-N	2	0	466.670	4.016	50	0		JIAARP
COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CC[NH+](Cc3cccnc3)CC2)c1	ZINC000014992932	525748525	/nfs/dbraw/zinc/74/85/25/525748525.db2.gz	OZKAPBSHMCLHDS-UHFFFAOYSA-N	2	0	478.666	4.238	50	0		JIAARP
COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1	ZINC000012152666	555926713	/nfs/dbraw/zinc/92/67/13/555926713.db2.gz	DKNLVUQEHMXAAJ-MUUNZHRXSA-N	2	0	463.622	4.139	50	0		JIAARP
O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012191575	555939109	/nfs/dbraw/zinc/93/91/09/555939109.db2.gz	MRAQNOMRRCDVCE-QFIPXVFZSA-N	2	0	467.576	4.211	50	0		JIAARP
CC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000034291352	569639994	/nfs/dbraw/zinc/63/99/94/569639994.db2.gz	UONLDZHKYCFZRW-UHFFFAOYSA-N	2	0	450.712	4.082	50	0		JIAARP
CC[NH+](C[C@H](O)COc1ccc(OC[C@H](O)C[N@@H+](CC)C2CCCCC2)cc1)C1CCCCC1	ZINC000006512280	554548653	/nfs/dbraw/zinc/54/86/53/554548653.db2.gz	VSGSVHFSHDWESR-WMPKNSHKSA-N	2	0	476.702	4.475	50	0		JIAARP
Fc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1	ZINC000020576580	555831476	/nfs/dbraw/zinc/83/14/76/555831476.db2.gz	ATHVINSEHTXCSB-UHFFFAOYSA-N	2	0	454.619	4.212	50	0		JIAARP
O=c1c2c3c(sc2ncn1CCc1ccccc1Cl)C[C@@H]([NH2+]CCC[NH+]1CCCC1)CC3	ZINC000015068879	555868722	/nfs/dbraw/zinc/86/87/22/555868722.db2.gz	HPZYSTYZPIMGLH-IBGZPJMESA-N	2	0	471.070	4.287	50	0		JIAARP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1	ZINC000064666600	569623867	/nfs/dbraw/zinc/62/38/67/569623867.db2.gz	YSLFMYMVUGZFBM-UHFFFAOYSA-N	2	0	453.030	4.233	50	0		JIAARP
Cc1cccc2cc(C[NH2+][C@H]3CCOC(C)(C)C3)c(N3CCC([NH+]4CCC(O)CC4)CC3)nc12	ZINC000020453206	524973322	/nfs/dbraw/zinc/97/33/22/524973322.db2.gz	HGJLSZYNPQCMQJ-QHCPKHFHSA-N	2	0	466.670	4.016	50	0		JIAARP
CC[NH+]1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000015679780	555946841	/nfs/dbraw/zinc/94/68/41/555946841.db2.gz	ZLGNKLQDNQNVFG-UHFFFAOYSA-N	2	0	476.662	4.153	50	0		JIAARP
CCC[C@@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000014982181	520959629	/nfs/dbraw/zinc/95/96/29/520959629.db2.gz	BNCYAXLSPAJDBI-CUBQBAPOSA-N	2	0	484.685	4.099	50	0		JIAARP
CCn1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c(C)n1	ZINC000012245408	523368346	/nfs/dbraw/zinc/36/83/46/523368346.db2.gz	OZOUMGBQKOHYNM-HHHXNRCGSA-N	2	0	466.649	4.348	50	0		JIAARP
COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cn(C)nc2C)CC1	ZINC000014888432	523761095	/nfs/dbraw/zinc/76/10/95/523761095.db2.gz	BOVLZFOKJUJWQE-NDEPHWFRSA-N	2	0	461.654	4.095	50	0		JIAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccccc2)C1	ZINC000014740662	523847197	/nfs/dbraw/zinc/84/71/97/523847197.db2.gz	SDJKINQKSQEVIZ-VCTRFXNDSA-N	2	0	475.677	4.293	50	0		JIAARP
CCC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000012150496	555922816	/nfs/dbraw/zinc/92/28/16/555922816.db2.gz	KWYJANOWDKSMFL-WIOPSUGQSA-N	2	0	494.602	4.492	50	0		JIAARP
C[N@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCCCC[NH+]2C)c1)Cc1cccc2cccnc21	ZINC000012283556	555948643	/nfs/dbraw/zinc/94/86/43/555948643.db2.gz	PXXLZIHZSLQOSN-SANMLTNESA-N	2	0	460.622	4.236	50	0		JIAARP
COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1	ZINC000034760476	569657677	/nfs/dbraw/zinc/65/76/77/569657677.db2.gz	HEFSDOLFADKEFO-IGKIAQTJSA-N	2	0	467.654	4.393	50	0		JIAARP
CN(C(=O)Nc1ccc(-c2ccc(NC(=O)N(C)C3CC[NH+](C)CC3)cc2)cc1)C1CC[NH+](C)CC1	ZINC000040545855	569830218	/nfs/dbraw/zinc/83/02/18/569830218.db2.gz	JSEJFEDVZDDWSB-UHFFFAOYSA-N	2	0	492.668	4.469	50	0		JIAARP
O=C(CN1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000109050693	569860486	/nfs/dbraw/zinc/86/04/86/569860486.db2.gz	YJRMUQWVGCWAGH-IXCJQBJRSA-N	2	0	488.676	4.240	50	0		JIAARP
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1	ZINC000012612540	195054435	/nfs/dbraw/zinc/05/44/35/195054435.db2.gz	JZEOIARSROSMCL-UHFFFAOYSA-N	2	0	450.410	4.328	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4CCC(C)CC4)ccc3n2)CC1	ZINC000020153589	555672715	/nfs/dbraw/zinc/67/27/15/555672715.db2.gz	JTPPAYCBSRPEQV-UHFFFAOYSA-N	2	0	468.715	4.094	50	0		JIAARP
COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CC[NH+](Cc3ccccn3)CC2)c1	ZINC000011909048	555856010	/nfs/dbraw/zinc/85/60/10/555856010.db2.gz	KDQUCMJIFRLEDT-UHFFFAOYSA-N	2	0	478.666	4.238	50	0		JIAARP
Cn1cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c2cc(Cl)ccc21	ZINC000064669784	569623742	/nfs/dbraw/zinc/62/37/42/569623742.db2.gz	ATYLWBPCDGFAOA-UHFFFAOYSA-N	2	0	453.030	4.292	50	0		JIAARP
Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1	ZINC000014953850	527691438	/nfs/dbraw/zinc/69/14/38/527691438.db2.gz	OLMYRPCPHVRBOR-GDLZYMKVSA-N	2	0	494.655	4.194	50	0		JIAARP
Cc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1	ZINC000009265764	555041610	/nfs/dbraw/zinc/04/16/10/555041610.db2.gz	RUOIBRJSCZAUOM-UHFFFAOYSA-N	2	0	464.683	4.424	50	0		JIAARP
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc12	ZINC000020153840	555673430	/nfs/dbraw/zinc/67/34/30/555673430.db2.gz	UMJGJNMSNVPBIT-UHFFFAOYSA-N	2	0	488.705	4.246	50	0		JIAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1	ZINC000014533586	555821883	/nfs/dbraw/zinc/82/18/83/555821883.db2.gz	LTPOIIAGTXLTDV-XZOQPEGZSA-N	2	0	491.598	4.333	50	0		JIAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC1(c2ccccc2)CCCCC1)C3	ZINC000012130910	555911889	/nfs/dbraw/zinc/91/18/89/555911889.db2.gz	DUPJPQYAURXZFN-OAQYLSRUSA-N	2	0	464.679	4.369	50	0		JIAARP
CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1	ZINC000065314998	569672614	/nfs/dbraw/zinc/67/26/14/569672614.db2.gz	DNFXIFNLRBICMT-UHFFFAOYSA-N	2	0	464.629	4.499	50	0		JIAARP
CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C(=O)N(CC)CC)N(Cc3cccc4ccccc43)C2)CC1	ZINC000020995418	195264258	/nfs/dbraw/zinc/26/42/58/195264258.db2.gz	MUIIXPRGTANJJN-VPUSJEBWSA-N	2	0	450.671	4.115	50	0		JIAARP
O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1C[C@@H](c1cccnc1)[NH+]1CCCCC1	ZINC000014986647	526993398	/nfs/dbraw/zinc/99/33/98/526993398.db2.gz	JVHRSHIVHBDAHO-GGAORHGYSA-N	2	0	485.028	4.162	50	0		JIAARP
COc1ccccc1CC[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1	ZINC000009265778	555041561	/nfs/dbraw/zinc/04/15/61/555041561.db2.gz	RIWLYONDEOUTQB-UHFFFAOYSA-N	2	0	480.682	4.124	50	0		JIAARP
CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1	ZINC000015865856	556042503	/nfs/dbraw/zinc/04/25/03/556042503.db2.gz	HWYBJGGMFIDEGG-UHFFFAOYSA-N	2	0	464.629	4.499	50	0		JIAARP
CC(=O)N(C1CC[NH+](Cc2ccccc2)CC1)C1(C(=O)Nc2ccc3[nH]ccc3c2)CC[NH+](C)CC1	ZINC000108488946	569859553	/nfs/dbraw/zinc/85/95/53/569859553.db2.gz	AZBIYAXGLYDPAB-UHFFFAOYSA-N	2	0	487.648	4.084	50	0		JIAARP
CC[NH+](CC)CCC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](CC)CC)c1ccccc1CC2	ZINC000001793693	194141530	/nfs/dbraw/zinc/14/15/30/194141530.db2.gz	DOXLERIYHMSOMJ-UHFFFAOYSA-N	2	0	450.627	4.462	50	0		JIAARP
CC[NH+](CC)CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000020271787	555748939	/nfs/dbraw/zinc/74/89/39/555748939.db2.gz	BDLDTBZLZWLYLE-OAQYLSRUSA-N	2	0	481.637	4.151	50	0		JIAARP
CCCC[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+]CCCC)ccc3o2)cc1	ZINC000004326921	520691942	/nfs/dbraw/zinc/69/19/42/520691942.db2.gz	IKSJWIBLHRKRQE-UHFFFAOYSA-N	2	0	451.571	4.151	50	0	aggregator	JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)ccc3n2)CC1	ZINC000020153599	555672954	/nfs/dbraw/zinc/67/29/54/555672954.db2.gz	RBNBQBBJMDLBSS-SFTDATJTSA-N	2	0	482.742	4.340	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)ccc3n2)CC1	ZINC000020153595	555673044	/nfs/dbraw/zinc/67/30/44/555673044.db2.gz	RBNBQBBJMDLBSS-OYRHEFFESA-N	2	0	482.742	4.340	50	0		JIAARP
COCC[N@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1	ZINC000015002729	555847566	/nfs/dbraw/zinc/84/75/66/555847566.db2.gz	GTRZVZVTPPLRLQ-NDEPHWFRSA-N	2	0	463.622	4.139	50	0		JIAARP
Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1	ZINC000014953846	527691852	/nfs/dbraw/zinc/69/18/52/527691852.db2.gz	OLMYRPCPHVRBOR-LJAQVGFWSA-N	2	0	494.655	4.194	50	0		JIAARP
C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000014539031	555828673	/nfs/dbraw/zinc/82/86/73/555828673.db2.gz	KRXGHEFRIOFJRU-WIOPSUGQSA-N	2	0	463.597	4.174	50	0		JIAARP
CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1	ZINC000248216774	570076324	/nfs/dbraw/zinc/07/63/24/570076324.db2.gz	GPPNTZVMZURTSO-QFIPXVFZSA-N	2	0	477.628	4.321	50	0		JIAARP
CC(C)(C)[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+]C(C)(C)C)ccc3o2)cc1	ZINC000003663006	194355896	/nfs/dbraw/zinc/35/58/96/194355896.db2.gz	VQRAHEFJYFMVCO-UHFFFAOYSA-N	2	0	451.571	4.148	50	0		JIAARP
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CC1	ZINC000012605957	195051743	/nfs/dbraw/zinc/05/17/43/195051743.db2.gz	PFTIVLAJOBTNBS-UHFFFAOYSA-N	2	0	477.440	4.141	50	0		JIAARP
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@@H+](Cc3ccc4ccccc4c3)C2)cn1	ZINC000014744999	525438344	/nfs/dbraw/zinc/43/83/44/525438344.db2.gz	DEBKQTJBIWLFDS-RPLLCQBOSA-N	2	0	474.649	4.128	50	0		JIAARP
COc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1OCc1ccccc1	ZINC000006133867	554505650	/nfs/dbraw/zinc/50/56/50/554505650.db2.gz	VEZITLDUWWXDKG-UHFFFAOYSA-N	2	0	467.654	4.190	50	0		JIAARP
C[C@@H]([NH2+]CC(=O)NCCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1	ZINC000049580926	569848932	/nfs/dbraw/zinc/84/89/32/569848932.db2.gz	LDMQBBSAWPBPGP-FGZHOGPDSA-N	2	0	482.628	4.227	50	0		JIAARP
CCOc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)cc1	ZINC000009265775	555041716	/nfs/dbraw/zinc/04/17/16/555041716.db2.gz	IUVUBXHMFNMWRX-UHFFFAOYSA-N	2	0	480.682	4.472	50	0		JIAARP
CC[NH+](C[C@H](O)COc1ccc(OC[C@@H](O)C[N@@H+](CC)C2CCCCC2)cc1)C1CCCCC1	ZINC000011565517	555787912	/nfs/dbraw/zinc/78/79/12/555787912.db2.gz	VSGSVHFSHDWESR-UIOOFZCWSA-N	2	0	476.702	4.475	50	0		JIAARP
O=c1c(C[NH2+]CCc2c[nH]c3ccccc23)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	ZINC000012149463	555921577	/nfs/dbraw/zinc/92/15/77/555921577.db2.gz	GQUBQUAYUSZIHE-UHFFFAOYSA-N	2	0	472.589	4.030	50	0		JIAARP
CC(=O)N1CCC([N@@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)CC1	ZINC000014956345	519512317	/nfs/dbraw/zinc/51/23/17/519512317.db2.gz	MULRRLNDFNIEMZ-UHFFFAOYSA-N	2	0	477.649	4.073	50	0		JIAARP
CCC[C@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O	ZINC000014982187	521313738	/nfs/dbraw/zinc/31/37/38/521313738.db2.gz	BNCYAXLSPAJDBI-UFHPHHKVSA-N	2	0	484.685	4.099	50	0		JIAARP
C[C@@H](C1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1	ZINC000014883694	524337496	/nfs/dbraw/zinc/33/74/96/524337496.db2.gz	GXOHYBFAOQOUPM-DWACAAAGSA-N	2	0	495.639	4.111	50	0		JIAARP
COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1	ZINC000012152665	555926683	/nfs/dbraw/zinc/92/66/83/555926683.db2.gz	DKNLVUQEHMXAAJ-NDEPHWFRSA-N	2	0	463.622	4.139	50	0		JIAARP
CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)N(CC)CC)N(Cc3cccc4ccccc43)C2)CC1	ZINC000023363096	556049867	/nfs/dbraw/zinc/04/98/67/556049867.db2.gz	MUIIXPRGTANJJN-BDYUSTAISA-N	2	0	450.671	4.115	50	0		JIAARP
c1ccc(Cc2ccc[n+](CCOCCOCC[n+]3cccc(Cc4ccccc4)c3)c2)cc1	ZINC000025578142	556224084	/nfs/dbraw/zinc/22/40/84/556224084.db2.gz	DNZGGSRONUXPEV-UHFFFAOYSA-N	2	0	454.614	4.177	50	0		JIAARP
CC(C)[NH+]1CCC(N2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2CCO)CC1	ZINC000104419600	569845741	/nfs/dbraw/zinc/84/57/41/569845741.db2.gz	PYGFGADFQSVKPG-HHHXNRCGSA-N	2	0	451.655	4.007	50	0		JIAARP
CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1	ZINC000248216773	570076337	/nfs/dbraw/zinc/07/63/37/570076337.db2.gz	GPPNTZVMZURTSO-JOCHJYFZSA-N	2	0	477.628	4.321	50	0		JIAARP
Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)n3)CC2)c1	ZINC000021944982	195340359	/nfs/dbraw/zinc/34/03/59/195340359.db2.gz	UBCWVXCHDCRWMO-UHFFFAOYSA-N	2	0	477.653	4.077	50	0		JIAARP
CCOc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1	ZINC000009265770	555041653	/nfs/dbraw/zinc/04/16/53/555041653.db2.gz	MSZRMHBITGVYAT-UHFFFAOYSA-N	2	0	480.682	4.472	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[NH+]4CCCCCC4)ccc3n2)CC1	ZINC000020153586	555672686	/nfs/dbraw/zinc/67/26/86/555672686.db2.gz	ZHSXCPIUPWETCZ-UHFFFAOYSA-N	2	0	468.715	4.238	50	0		JIAARP
COCC[N@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1	ZINC000015002732	555847642	/nfs/dbraw/zinc/84/76/42/555847642.db2.gz	GTRZVZVTPPLRLQ-MUUNZHRXSA-N	2	0	463.622	4.139	50	0		JIAARP
CCC[C@@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O	ZINC000014982185	520958953	/nfs/dbraw/zinc/95/89/53/520958953.db2.gz	BNCYAXLSPAJDBI-YWEHKCAJSA-N	2	0	484.685	4.099	50	0		JIAARP
Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1	ZINC000009731741	526741936	/nfs/dbraw/zinc/74/19/36/526741936.db2.gz	NFJVAOPWLITBOJ-FQEVSTJZSA-N	2	0	452.643	4.409	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCC[N@@H+]4CCc5ccccc5C4)ccc3n2)CC1	ZINC000020153658	555673108	/nfs/dbraw/zinc/67/31/08/555673108.db2.gz	MBNYEHKGKUKPGH-UHFFFAOYSA-N	2	0	488.705	4.030	50	0		JIAARP
COc1cccc([C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1	ZINC000034760470	569657690	/nfs/dbraw/zinc/65/76/90/569657690.db2.gz	HEFSDOLFADKEFO-SQHAQQRYSA-N	2	0	467.654	4.393	50	0		JIAARP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000058152516	195367213	/nfs/dbraw/zinc/36/72/13/195367213.db2.gz	AFAQFPPNDMZHLQ-OAQYLSRUSA-N	2	0	452.618	4.057	50	0		JIAARP
Cc1ccc(NC(=O)NCCCNc2cc[nH+]cc2)cc1NC(=O)NCCCNc1cc[nH+]cc1	ZINC000072278777	569701595	/nfs/dbraw/zinc/70/15/95/569701595.db2.gz	XGSLWICMKOUBSF-UHFFFAOYSA-N	2	0	476.585	4.032	50	0		JIAARP
CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccnc5cc(Cl)ccc54)CC3)C2=O)cc1	ZINC000100210892	569755513	/nfs/dbraw/zinc/75/55/13/569755513.db2.gz	WGWNGLHKTJHUMD-XMMPIXPASA-N	2	0	478.980	4.131	50	0		JIAARP
CCn1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c(C)n1	ZINC000012245409	523367980	/nfs/dbraw/zinc/36/79/80/523367980.db2.gz	OZOUMGBQKOHYNM-MHZLTWQESA-N	2	0	466.649	4.348	50	0		JIAARP
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000089779513	569719815	/nfs/dbraw/zinc/71/98/15/569719815.db2.gz	NIEUGBIYMJZVGJ-UHFFFAOYSA-N	2	0	495.634	4.125	50	0		JIAARP
COc1ccc(OC)c(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1	ZINC000009265774	555041665	/nfs/dbraw/zinc/04/16/65/555041665.db2.gz	MTRSLUUUEUVOLR-UHFFFAOYSA-N	2	0	496.681	4.091	50	0		JIAARP
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CC[NH+](C5CCCCC5)CC4)ccc3n2)CC1	ZINC000020153633	555673010	/nfs/dbraw/zinc/67/30/10/555673010.db2.gz	KDOXHTJDRUHEOY-UHFFFAOYSA-N	2	0	480.726	4.332	50	0		JIAARP
C[NH+]1CCN(c2nc(-c3ccsc3)ccc2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000011788289	555822593	/nfs/dbraw/zinc/82/25/93/555822593.db2.gz	LSMPQOQAZOUPSO-UHFFFAOYSA-N	2	0	481.710	4.481	50	0		JIAARP
O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000023354776	556048568	/nfs/dbraw/zinc/04/85/68/556048568.db2.gz	BUXOMEYYWHYHAA-UHFFFAOYSA-N	2	0	497.687	4.155	50	0		JIAARP
O=C(NCC[NH+]1CCCC1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1	ZINC000065315002	569672595	/nfs/dbraw/zinc/67/25/95/569672595.db2.gz	LEZWRYMABSAFDW-UHFFFAOYSA-N	2	0	462.613	4.253	50	0		JIAARP
COc1cccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1	ZINC000105052489	569852658	/nfs/dbraw/zinc/85/26/58/569852658.db2.gz	HEFSDOLFADKEFO-SHQCIBLASA-N	2	0	467.654	4.393	50	0		JIAARP
COc1cccc([C@H]2C[N@H+](Cc3ccc(C)o3)C[C@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1	ZINC000248075688	570073582	/nfs/dbraw/zinc/07/35/82/570073582.db2.gz	HEFSDOLFADKEFO-RPLLCQBOSA-N	2	0	467.654	4.393	50	0		JIAARP
CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(CCc4cc(OC)cc(OC)c4)CC3)cc2)CC1	ZINC000009314386	555089701	/nfs/dbraw/zinc/08/97/01/555089701.db2.gz	ZIBIXSDVCFMIEO-UHFFFAOYSA-N	2	0	494.680	4.129	50	0		JIAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2	ZINC000014536097	555825426	/nfs/dbraw/zinc/82/54/26/555825426.db2.gz	RBDKWJYUCADKTE-XMMPIXPASA-N	2	0	477.697	4.030	50	0		JIAARP
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000020153786	555673457	/nfs/dbraw/zinc/67/34/57/555673457.db2.gz	BSCBMBWIWCBRKN-QFIPXVFZSA-N	2	0	468.715	4.236	50	0		JIAARP
CCC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O	ZINC000012150498	555922807	/nfs/dbraw/zinc/92/28/07/555922807.db2.gz	KWYJANOWDKSMFL-RCZVLFRGSA-N	2	0	494.602	4.492	50	0		JIAARP
CC(C)[NH+]1CCC(N2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1	ZINC000104421162	569845744	/nfs/dbraw/zinc/84/57/44/569845744.db2.gz	CUIGPDREZZYHBA-HHHXNRCGSA-N	2	0	451.655	4.007	50	0		JIAARP
CC[C@@H](C)[NH2+]CC(=O)Nc1ccc2oc(-c3ccc(NC(=O)C[NH2+][C@@H](C)CC)cc3)nc2c1	ZINC000004326986	522227949	/nfs/dbraw/zinc/22/79/49/522227949.db2.gz	QUJPHEWRQFVCKY-DLBZAZTESA-N	2	0	451.571	4.148	50	0		JIAARP
C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[NH+]1CCC[C@@H](c3ccccc3)C1)CCO2	ZINC000014968046	522966397	/nfs/dbraw/zinc/96/63/97/522966397.db2.gz	SKJJLIHOAVHWOD-HHHXNRCGSA-N	2	0	498.671	4.357	50	0		JIAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccccc2)C1	ZINC000014740661	523822276	/nfs/dbraw/zinc/82/22/76/523822276.db2.gz	SDJKINQKSQEVIZ-HNPKZYAISA-N	2	0	475.677	4.293	50	0		JIAARP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000020153783	555673414	/nfs/dbraw/zinc/67/34/14/555673414.db2.gz	BSCBMBWIWCBRKN-JOCHJYFZSA-N	2	0	468.715	4.236	50	0		JIAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2	ZINC000014536096	555825051	/nfs/dbraw/zinc/82/50/51/555825051.db2.gz	RBDKWJYUCADKTE-DEOSSOPVSA-N	2	0	477.697	4.030	50	0		JIAARP
C[N@H+](Cc1cccc(OCCNC(=O)[C@H]2CCCCC[NH+]2C)c1)Cc1cccc2cccnc21	ZINC000012283558	555948580	/nfs/dbraw/zinc/94/85/80/555948580.db2.gz	PXXLZIHZSLQOSN-AREMUKBSSA-N	2	0	460.622	4.236	50	0		JIAARP
C[C@@H]([NH2+]CC(=O)NCCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1	ZINC000049580925	569848869	/nfs/dbraw/zinc/84/88/69/569848869.db2.gz	LDMQBBSAWPBPGP-SZPZYZBQSA-N	2	0	482.628	4.227	50	0		JIAARP
CCCCc1ncc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1	ZINC000012203623	521295965	/nfs/dbraw/zinc/29/59/65/521295965.db2.gz	MEIQRRFMXVPKPB-XMMPIXPASA-N	2	0	451.659	4.135	50	0		JIAARP
CCC[C@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000014982183	521314066	/nfs/dbraw/zinc/31/40/66/521314066.db2.gz	BNCYAXLSPAJDBI-RBJSKKJNSA-N	2	0	484.685	4.099	50	0		JIAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(-c4ccccc4)cc3)C[C@H]2C(=O)NC(C)C)CC1	ZINC000020452187	519844406	/nfs/dbraw/zinc/84/44/06/519844406.db2.gz	PSRJMPHYZDIHLT-IAPPQJPRSA-N	2	0	462.682	4.285	50	0		JIAARP
CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1	ZINC000014881942	521586530	/nfs/dbraw/zinc/58/65/30/521586530.db2.gz	TXNCGHOEMBUXCM-MUUNZHRXSA-N	2	0	491.676	4.463	50	0		JIAARP
Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000009731744	526741711	/nfs/dbraw/zinc/74/17/11/526741711.db2.gz	NFJVAOPWLITBOJ-HXUWFJFHSA-N	2	0	452.643	4.409	50	0		JIAARP
COc1ccccc1C[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1	ZINC000009265765	555041719	/nfs/dbraw/zinc/04/17/19/555041719.db2.gz	VKJAPVKURRKNJN-UHFFFAOYSA-N	2	0	466.655	4.082	50	0		JIAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC1(c2ccccc2)CCCCC1)C3	ZINC000012130903	555911948	/nfs/dbraw/zinc/91/19/48/555911948.db2.gz	DUPJPQYAURXZFN-NRFANRHFSA-N	2	0	464.679	4.369	50	0		JIAARP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(Cl)nc2NC1CC[NH+](C(C)C)CC1	ZINC000097756584	569745857	/nfs/dbraw/zinc/74/58/57/569745857.db2.gz	GHTIAKXLWWMKSI-UHFFFAOYSA-N	2	0	462.038	4.441	50	0		JIAARP
C[C@H](C1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1	ZINC000014883696	526216372	/nfs/dbraw/zinc/21/63/72/526216372.db2.gz	GXOHYBFAOQOUPM-DFHRPNOPSA-N	2	0	495.639	4.111	50	0		JIAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1	ZINC000014531461	555818620	/nfs/dbraw/zinc/81/86/20/555818620.db2.gz	WVYZRLGAYVHIFB-RFYMFKDESA-N	2	0	489.704	4.335	50	0		JIAARP
O=c1c2c3c(sc2ncn1CCc1ccccc1Cl)C[C@H]([NH2+]CCC[NH+]1CCCC1)CC3	ZINC000015068881	555868786	/nfs/dbraw/zinc/86/87/86/555868786.db2.gz	HPZYSTYZPIMGLH-LJQANCHMSA-N	2	0	471.070	4.287	50	0		JIAARP
CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)cc2)CC1	ZINC000015105813	555877047	/nfs/dbraw/zinc/87/70/47/555877047.db2.gz	GNPMGRZRTYBHGZ-AREMUKBSSA-N	2	0	450.627	4.393	50	0		JIAARP
CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)cc2)CC1	ZINC000015105814	555877070	/nfs/dbraw/zinc/87/70/70/555877070.db2.gz	GNPMGRZRTYBHGZ-SANMLTNESA-N	2	0	450.627	4.393	50	0		JIAARP
CC[NH+](CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH+](CC)CC)ccc3o2)cc1	ZINC000004327191	520580096	/nfs/dbraw/zinc/58/00/96/520580096.db2.gz	XKVSASJQGCZUIK-UHFFFAOYSA-N	2	0	451.571	4.055	50	0		JIAARP
CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+][C@H](C)CC)ccc3o2)cc1	ZINC000004326985	522227097	/nfs/dbraw/zinc/22/70/97/522227097.db2.gz	QUJPHEWRQFVCKY-IAGOWNOFSA-N	2	0	451.571	4.148	50	0		JIAARP
COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CC[NH+](Cc3ccco3)CC2)c1	ZINC000012513043	525749213	/nfs/dbraw/zinc/74/92/13/525749213.db2.gz	BJXQFCFOXWNFAZ-UHFFFAOYSA-N	2	0	467.639	4.436	50	0		JIAARP
CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+][C@@H](C)CC)ccc3o2)cc1	ZINC000004326982	522229054	/nfs/dbraw/zinc/22/90/54/522229054.db2.gz	QUJPHEWRQFVCKY-SJORKVTESA-N	2	0	451.571	4.148	50	0		JIAARP
[NH3+]CCc1c[nH]c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc5[nH]cc(CC[NH3+])c5c4)c3)cc12	ZINC000003144307	554427227	/nfs/dbraw/zinc/42/72/27/554427227.db2.gz	USKYZXNCKUDRSH-UHFFFAOYSA-N	2	0	482.540	4.090	50	0		JIAARP
C[C@H]([NH2+]CC(=O)NCCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccc2ccccc2c1	ZINC000049580924	569848873	/nfs/dbraw/zinc/84/88/73/569848873.db2.gz	LDMQBBSAWPBPGP-VXKWHMMOSA-N	2	0	482.628	4.227	50	0		JIAARP
CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1	ZINC000014881943	521595670	/nfs/dbraw/zinc/59/56/70/521595670.db2.gz	TXNCGHOEMBUXCM-NDEPHWFRSA-N	2	0	491.676	4.463	50	0		JIAARP
CC[C@H](C)[NH2+]CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C[NH2+][C@@H](C)CC)ccc3o2)cc1	ZINC000004326983	524003709	/nfs/dbraw/zinc/00/37/09/524003709.db2.gz	QUJPHEWRQFVCKY-IRXDYDNUSA-N	2	0	451.571	4.148	50	0		JIAARP
CC[NH+](CC)CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1	ZINC000020271789	555748981	/nfs/dbraw/zinc/74/89/81/555748981.db2.gz	BDLDTBZLZWLYLE-NRFANRHFSA-N	2	0	481.637	4.151	50	0		JIAARP
COc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1	ZINC000020576577	555831500	/nfs/dbraw/zinc/83/15/00/555831500.db2.gz	FMCPLWFLLBTCBO-UHFFFAOYSA-N	2	0	466.655	4.082	50	0		JIAARP
CCC[C@@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000012150495	555922843	/nfs/dbraw/zinc/92/28/43/555922843.db2.gz	KWYJANOWDKSMFL-DHLKQENFSA-N	2	0	494.602	4.492	50	0		JIAARP
Cc1ccc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CC[NH2+]CC2)cc1	ZINC000015772739	555992009	/nfs/dbraw/zinc/99/20/09/555992009.db2.gz	ICRCUXZLHIBVKL-UHFFFAOYSA-N	2	0	457.622	4.042	50	0		JIAARP