smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]C/C(=C\CCC(=O)[O-])CCCCCCCC[C@@H]1C=C(CC[NH3+])CC1	ZINC000085489225	291084431	/nfs/dbraw/zinc/08/44/31/291084431.db2.gz	WTODIMZVFAOXGW-POJBONIESA-N	1	0	364.574	4.803	1	0	biogenic,in-vitro	FJAFRO
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1	ZINC000002047484	204025106	/nfs/dbraw/zinc/02/51/06/204025106.db2.gz	FWTQOPWAMQXIMI-UHFFFAOYSA-N	1	0	373.456	4.698	1	0	in-vivo	FJAFRO
O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCC[C@H]1C[NH+]1CCCC1	ZINC000013861053	204555564	/nfs/dbraw/zinc/55/55/64/204555564.db2.gz	QRIZARXGKJRHBY-QHCPKHFHSA-N	1	0	368.565	4.754	1	0		FJAFRO
Cn1c2ccccc2c2c1CC[C@H](C[NH+]1CCC(c3ccccc3)CC1)C2=O	ZINC000027740028	204868365	/nfs/dbraw/zinc/86/83/65/204868365.db2.gz	NPFGYEBTGQFLCQ-HXUWFJFHSA-N	1	0	372.512	4.803	1	0		FJAFRO
CCCNC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](CCC)CC3	ZINC000038238400	205040380	/nfs/dbraw/zinc/04/03/80/205040380.db2.gz	YDWFTGNATPRSQH-LJQANCHMSA-N	1	0	364.489	4.717	1	0		FJAFRO
O=C1CCCCN1Cc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1	ZINC000040566985	205071766	/nfs/dbraw/zinc/07/17/66/205071766.db2.gz	DQOHQFYLWISJMK-UHFFFAOYSA-N	1	0	362.517	4.852	1	0		FJAFRO
O=C(N[C@H](CC[NH+]1CCCCC1)c1ccc(Cl)cc1)c1ccccc1	ZINC000045300369	205120168	/nfs/dbraw/zinc/12/01/68/205120168.db2.gz	LVFGABPIBKLJIV-HXUWFJFHSA-N	1	0	356.897	4.687	1	0		FJAFRO
[NH3+][C@@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)C1CCCCC1	ZINC000061908205	205288909	/nfs/dbraw/zinc/28/89/09/205288909.db2.gz	GGBWRHFKVKLPNQ-CQSZACIVSA-N	1	0	356.417	4.881	3	0		FJAFRO
C[NH+](C)CC[C@@H](O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000045302206	211812862	/nfs/dbraw/zinc/81/28/62/211812862.db2.gz	KWWVFVUAQBXNGB-GOSISDBHSA-N	1	0	350.289	4.738	1	0		FJAFRO
c1ccc(C[NH2+]CC[C@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1	ZINC000096940341	205888133	/nfs/dbraw/zinc/88/81/33/205888133.db2.gz	XESNQMLFTITTNJ-QFIPXVFZSA-N	1	0	350.506	4.623	1	0		FJAFRO
Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1Cl	ZINC000148890257	206140994	/nfs/dbraw/zinc/14/09/94/206140994.db2.gz	JLVMAEWBWUMRKB-SFHVURJKSA-N	1	0	373.287	4.808	1	0		FJAFRO
Cc1ccc(OC(=O)[C@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)cc2)[N@H+]3C)cc1	ZINC000169365750	206253031	/nfs/dbraw/zinc/25/30/31/206253031.db2.gz	QGPBRSDGYQTSKG-OYNPSCLESA-N	1	0	369.892	4.820	1	0		FJAFRO
COc1ccccc1CCC[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1	ZINC000013833001	211061790	/nfs/dbraw/zinc/06/17/90/211061790.db2.gz	WFPPMRLHRNARMQ-FDDCHVKYSA-N	1	0	353.506	4.633	1	0		FJAFRO
C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=Cc3ccccc3C3=NCCN32)cc1	ZINC000013740219	211055436	/nfs/dbraw/zinc/05/54/36/211055436.db2.gz	NEQQHVXXMSTVNA-SFHVURJKSA-N	1	0	357.501	4.635	1	0		FJAFRO
O=C1c2cccc(F)c2CC[C@H]1C1CC[NH+](CCc2ccccc2)CC1	ZINC000013734321	211055259	/nfs/dbraw/zinc/05/52/59/211055259.db2.gz	TYTUURCCMHKELI-IBGZPJMESA-N	1	0	351.465	4.526	1	0		FJAFRO
Cc1cc(C)c(C(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1C	ZINC000013684690	211047957	/nfs/dbraw/zinc/04/79/57/211047957.db2.gz	RIHQERSJRHVRIQ-HXUWFJFHSA-N	1	0	358.913	4.688	1	0		FJAFRO
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH2+]CCCc1ccccc1)O2	ZINC000013651349	211046864	/nfs/dbraw/zinc/04/68/64/211046864.db2.gz	WSWFWXQSJBZYPQ-HSZRJFAPSA-N	1	0	353.506	4.624	1	0		FJAFRO
[NH3+]CCCNc1nc(-c2ccc(-c3ccsc3)cc2)cc2ncccc21	ZINC000013489166	211035304	/nfs/dbraw/zinc/03/53/04/211035304.db2.gz	MVCGOFVBSSIGJA-UHFFFAOYSA-N	1	0	360.486	4.786	1	0		FJAFRO
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1	ZINC000040848974	136120524	/nfs/dbraw/zinc/12/05/24/136120524.db2.gz	HNJPBQIQJGUESM-UHFFFAOYSA-N	1	0	371.406	4.672	1	0		FJAFRO
C[C@]1(c2ccccc2)C[C@H](c2ccc(O)cc2)Nc2ccc(C(N)=[NH2+])cc21	ZINC000096273304	222106884	/nfs/dbraw/zinc/10/68/84/222106884.db2.gz	OXFMSTZSZNVIGR-FYYLOGMGSA-N	1	0	357.457	4.539	1	0		FJAFRO
Clc1ccc2[nH]c(-c3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1	ZINC000096282680	222111309	/nfs/dbraw/zinc/11/13/09/222111309.db2.gz	JWMNDJKJQTZJKT-UHFFFAOYSA-N	1	0	355.869	4.748	1	0		FJAFRO
C[N@@H+]1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1	ZINC000096927291	222140965	/nfs/dbraw/zinc/14/09/65/222140965.db2.gz	GDNOHCHHQSYSDA-GOTSBHOMSA-N	1	0	351.490	4.530	1	0		FJAFRO
C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)Cc2c(-c4ccc(N)cc4)n[nH]c2-3)CC1	ZINC000101115308	222262449	/nfs/dbraw/zinc/26/24/49/222262449.db2.gz	ZIVSIJBGXUGLSL-GSXCWMCISA-N	1	0	372.516	4.898	1	0		FJAFRO
c1[nH]c2ccccc2c1[C@H]1ON=C(c2ccccc2)[C@H]1C[NH+]1CCCCC1	ZINC000103288081	222332330	/nfs/dbraw/zinc/33/23/30/222332330.db2.gz	XOGORRVTFIQINH-NFBKMPQASA-N	1	0	359.473	4.746	1	0		FJAFRO
c1ccc2[nH]c(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1	ZINC000040919265	581091979	/nfs/dbraw/zinc/09/19/79/581091979.db2.gz	ODJODTWJYGPSFX-UHFFFAOYSA-N	1	0	351.450	4.610	1	0		FJAFRO
NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1	ZINC000028361908	581097288	/nfs/dbraw/zinc/09/72/88/581097288.db2.gz	RTPDDFLFZXREMW-BQYQJAHWSA-N	1	0	365.440	4.828	1	0		FJAFRO
CC(C)[N@@H+]1C[C@@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C	ZINC000000705292	210262071	/nfs/dbraw/zinc/26/20/71/210262071.db2.gz	ISISUCXOWWQKPO-MSYCTHLASA-N	1	0	351.490	4.878	2	0		FJAFRO
COc1ccc(C=Cc2cc(N)c3ccccc3[nH+]2)cc1Br	ZINC000064585896	212040073	/nfs/dbraw/zinc/04/00/73/212040073.db2.gz	MJCWABWVXSCOAC-VURMDHGXSA-N	1	0	355.235	4.589	1	0		FJAFRO
[NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccn2)n1	ZINC000061905706	212026804	/nfs/dbraw/zinc/02/68/04/212026804.db2.gz	RCUGVTFZYXHGFK-ZDUSSCGKSA-N	1	0	364.396	4.543	3	0		FJAFRO
COc1ccc2c(c1)c1c(n2CC[NH+]2CCCCC2)-c2ccccc2CC1	ZINC000001651447	204015755	/nfs/dbraw/zinc/01/57/55/204015755.db2.gz	GNAFEAWQHIWSDB-UHFFFAOYSA-N	1	0	360.501	4.901	1	0		FJAFRO
Cn1c(C(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc2ccccc21	ZINC000013684979	204546192	/nfs/dbraw/zinc/54/61/92/204546192.db2.gz	BMAXKTGAPQGADW-FQEVSTJZSA-N	1	0	370.880	4.682	1	0		FJAFRO
Cc1[nH+]c2cccc(F)c2c(N)c1CS[C@@]1(C(F)(F)F)CCCO1	ZINC000013864117	204555821	/nfs/dbraw/zinc/55/58/21/204555821.db2.gz	BOGDGZBEROWVBB-OAHLLOKOSA-N	1	0	360.376	4.567	1	0		FJAFRO
COc1ccc2cccc(CCCN3CC[NH+](C4CCCCC4)CC3)c2c1	ZINC000028711315	204886399	/nfs/dbraw/zinc/88/63/99/204886399.db2.gz	PVCGAXOYPWJBHG-UHFFFAOYSA-N	1	0	366.549	4.731	1	0		FJAFRO
Cc1nc2cc(-c3ccco3)nn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000035967113	204999432	/nfs/dbraw/zinc/99/94/32/204999432.db2.gz	TWKSRTMSUZOWTE-UHFFFAOYSA-N	1	0	373.243	4.730	1	0		FJAFRO
C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)[C@@H](c1ccccc1)C1CCCC1	ZINC000036188234	205007324	/nfs/dbraw/zinc/00/73/24/205007324.db2.gz	UXGYHPCEXONQIZ-IPJJNNNSSA-N	1	0	356.554	4.730	1	0		FJAFRO
Fc1ccc(C[n+]2ccc3c(c2)[nH]c2c3cccc2Br)cc1	ZINC000045357785	205121226	/nfs/dbraw/zinc/12/12/26/205121226.db2.gz	GQVNMSFKQAJZKR-UHFFFAOYSA-O	1	0	356.218	4.559	1	0		FJAFRO
C[NH+](C)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1	ZINC000053246949	205192202	/nfs/dbraw/zinc/19/22/02/205192202.db2.gz	QBJYSKLVDCDUGF-IBGZPJMESA-N	1	0	364.272	4.554	1	0		FJAFRO
COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)s1	ZINC000064437131	205299472	/nfs/dbraw/zinc/29/94/72/205299472.db2.gz	FAKYYWUMXNCJOE-SJLPKXTDSA-N	1	0	363.910	4.713	1	0		FJAFRO
FC(F)(F)c1ccc(-c2cn(Cc3ccccc3)c3c2C[NH2+]CC3)cc1	ZINC000066112002	205363991	/nfs/dbraw/zinc/36/39/91/205363991.db2.gz	KITFKDHTXXEJFK-UHFFFAOYSA-N	1	0	356.391	4.868	1	0		FJAFRO
CO[C@@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1[N@@H+]2C	ZINC000169356219	206254009	/nfs/dbraw/zinc/25/40/09/206254009.db2.gz	BLHLYSLDSMMWFB-CDJZJNNCSA-N	1	0	371.908	4.696	1	0		FJAFRO
c1ccn([C@@H]2c3ccccc3OC23CC[NH+](CCc2ccccc2)CC3)c1	ZINC000029318170	211509428	/nfs/dbraw/zinc/50/94/28/211509428.db2.gz	TXVBDOAZLZDQQB-HSZRJFAPSA-N	1	0	358.485	4.547	1	0		FJAFRO
C[N@@H+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C	ZINC000022938076	211370347	/nfs/dbraw/zinc/37/03/47/211370347.db2.gz	BEBKQEVGPRNSGI-AZUAARDMSA-N	1	0	356.460	4.568	1	0		FJAFRO
CCn1c2cc(Cl)ccc2[n+](CC)c1C=CN(C(C)=O)c1ccccc1	ZINC000015974235	211152296	/nfs/dbraw/zinc/15/22/96/211152296.db2.gz	DBJWSKMLICHWPM-UHFFFAOYSA-N	1	0	368.888	4.646	3	0		FJAFRO
Cc1[nH+]c2cccc(F)c2c(N)c1CS[C@]1(C(F)(F)F)CCCO1	ZINC000013864118	211063236	/nfs/dbraw/zinc/06/32/36/211063236.db2.gz	BOGDGZBEROWVBB-HNNXBMFYSA-N	1	0	360.376	4.567	1	0		FJAFRO
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ccncc2c1	ZINC000013761449	211057788	/nfs/dbraw/zinc/05/77/88/211057788.db2.gz	GWMATYYYZBEZOW-FQEVSTJZSA-N	1	0	360.501	4.838	1	0		FJAFRO
Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3C(F)(F)F)ccc2[nH+]1	ZINC000013448048	211034370	/nfs/dbraw/zinc/03/43/70/211034370.db2.gz	VALGCIZQXXKDDI-RMKNXTFCSA-N	1	0	371.362	4.796	1	0		FJAFRO
CCN(CC)c1nccn2c(Nc3ccc(Cl)cc3Cl)[nH+]c(C)c12	ZINC000013437342	211034120	/nfs/dbraw/zinc/03/41/20/211034120.db2.gz	ARFPVRNQRQPFFW-UHFFFAOYSA-N	1	0	364.280	4.934	1	0		FJAFRO
CC(C)C1CCC([NH+]2CCC(N3c4ccccc4CCC3=O)CC2)CC1	ZINC000096270674	132224720	/nfs/dbraw/zinc/22/47/20/132224720.db2.gz	BEWDVGPOPIFWLH-UHFFFAOYSA-N	1	0	354.538	4.645	1	0		FJAFRO
CC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(Cl)cc1	ZINC000103176583	132236947	/nfs/dbraw/zinc/23/69/47/132236947.db2.gz	UEWXQPJOKRHBNJ-LJQANCHMSA-N	1	0	364.836	4.613	1	0		FJAFRO
c1c(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccc1	ZINC000103265623	132237191	/nfs/dbraw/zinc/23/71/91/132237191.db2.gz	BKPIXRLXLDCBJM-UHFFFAOYSA-N	1	0	367.496	4.953	1	0		FJAFRO
Cc1cc(N2CCc3cc(Br)ccc3C2)c2ccccc2[nH+]1	ZINC000071341039	136138851	/nfs/dbraw/zinc/13/88/51/136138851.db2.gz	ZNVWUCYUAVERRR-UHFFFAOYSA-N	1	0	353.263	4.868	1	0		FJAFRO
CC(C)[C@H]1CC[C@@H]([NH+]2CCC(N3c4ccccc4[C@@H](C)C3=O)CC2)CC1	ZINC000101680332	222280521	/nfs/dbraw/zinc/28/05/21/222280521.db2.gz	UDIDJCCXFVDPEB-GUDVDZBRSA-N	1	0	354.538	4.816	1	0		FJAFRO
CN(CC[NH+](C)C)Cc1ccccc1Sc1cccc2ccccc21	ZINC000019801851	521748346	/nfs/dbraw/zinc/74/83/46/521748346.db2.gz	FGNAPWDGOUVUBN-UHFFFAOYSA-N	1	0	350.531	4.984	3	0		FJAFRO
COC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000064251786	212037466	/nfs/dbraw/zinc/03/74/66/212037466.db2.gz	QUIVXFJDADACBW-WOJBJXKFSA-N	1	0	357.881	4.651	1	0	in-vivo	FJAFRO
CC(C)[N@@H+]1CCC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1	ZINC000061930701	212028315	/nfs/dbraw/zinc/02/83/15/212028315.db2.gz	QNCUUNANXNUYCM-QFIPXVFZSA-N	1	0	352.478	4.928	3	0		FJAFRO
CC(C)[N@@H+]1C[C@@H](C)[C@@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C	ZINC000004188300	204126965	/nfs/dbraw/zinc/12/69/65/204126965.db2.gz	ISISUCXOWWQKPO-SELNLUPBSA-N	1	0	351.490	4.878	2	0		FJAFRO
Cc1c2c(c(C)c(C)c1N)O[C@](C)(C[NH2+]CCCCc1ccccc1)C2	ZINC000013652116	204542416	/nfs/dbraw/zinc/54/24/16/204542416.db2.gz	TYRCEMWEJLDBAM-QHCPKHFHSA-N	1	0	352.522	4.500	1	0		FJAFRO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1[NH+]1CCCC1	ZINC000028238211	204878071	/nfs/dbraw/zinc/87/80/71/204878071.db2.gz	NRVOCEKOSKQIOD-IRXDYDNUSA-N	1	0	355.309	4.753	1	0		FJAFRO
O[C@@H](C[NH2+]CC1CCCCC1)[C@H](c1ccccc1)n1ccc2ccccc21	ZINC000038208806	205040001	/nfs/dbraw/zinc/04/00/01/205040001.db2.gz	NEVVQGBYHRTAEI-ZEQRLZLVSA-N	1	0	362.517	4.762	1	0		FJAFRO
COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1	ZINC000040465171	205072202	/nfs/dbraw/zinc/07/22/02/205072202.db2.gz	GAHXOAGMKXAKSA-INIZCTEOSA-N	1	0	365.477	4.883	1	0		FJAFRO
O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CC[NH2+]CC2	ZINC000045231289	205118524	/nfs/dbraw/zinc/11/85/24/205118524.db2.gz	REFZIMSLNKXACY-UHFFFAOYSA-N	1	0	357.457	4.686	1	0		FJAFRO
O[C@]1(c2ccco2)CC[N@@H+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	ZINC000169319892	206250935	/nfs/dbraw/zinc/25/09/35/206250935.db2.gz	PVIODKKKZGSADP-TZBSWOFLSA-N	1	0	371.480	4.548	1	0		FJAFRO
O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1	ZINC000029123495	211505307	/nfs/dbraw/zinc/50/53/07/211505307.db2.gz	KIBJRAQKTXFONV-UHFFFAOYSA-N	1	0	362.448	4.830	1	0		FJAFRO
CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000013803484	211060044	/nfs/dbraw/zinc/06/00/44/211060044.db2.gz	YUVBUYRBSQWACN-JOCHJYFZSA-N	1	0	350.506	4.744	1	0		FJAFRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@H](c1ccccc1)C1CCCC1	ZINC000013734047	211053600	/nfs/dbraw/zinc/05/36/00/211053600.db2.gz	UXGYHPCEXONQIZ-XQBPLPMBSA-N	1	0	356.554	4.730	1	0		FJAFRO
Cn1cc(C(=O)O[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c2ccccc21	ZINC000013684982	211048920	/nfs/dbraw/zinc/04/89/20/211048920.db2.gz	CXDNKHGNUKSCRG-HXUWFJFHSA-N	1	0	370.880	4.682	1	0		FJAFRO
CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CC[N@@H+]2CCOCc1ccccc1	ZINC000013475625	211036117	/nfs/dbraw/zinc/03/61/17/211036117.db2.gz	LTDBLGLPNBHRHX-VWNXMTODSA-N	1	0	365.517	4.523	1	0		FJAFRO
CO[C@@H]1Cc2ccccc2C2(CC[NH+](CCCCc3ccccc3)CC2)O1	ZINC000013472042	211035994	/nfs/dbraw/zinc/03/59/94/211035994.db2.gz	CYEHCEOAFMAABP-QHCPKHFHSA-N	1	0	365.517	4.546	1	0		FJAFRO
Cc1cccc(-c2cccn([C@H](C[NH+]3CCCC3)c3ccccc3)c2=O)c1	ZINC000013436654	211034651	/nfs/dbraw/zinc/03/46/51/211034651.db2.gz	YIPXKVDHHLNWTL-HSZRJFAPSA-N	1	0	358.485	4.509	1	0		FJAFRO
O=C1Nc2cccc3c2[C@]1(CCCC[N@@H+]1CCc2sccc2C1)CCC3	ZINC000002007270	210377388	/nfs/dbraw/zinc/37/73/88/210377388.db2.gz	PSWCYJDXBLJOMH-QFIPXVFZSA-N	1	0	366.530	4.503	1	0		FJAFRO
OC1(c2ccc(Cl)cc2)CC[NH+](CCCCc2ccc(F)cc2)CC1	ZINC000073224424	221561539	/nfs/dbraw/zinc/56/15/39/221561539.db2.gz	ZTBBOIYRZHAFIN-UHFFFAOYSA-N	1	0	361.888	4.785	1	0		FJAFRO
C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(c2ccc(C)o2)C1C(=O)OC(C)C	ZINC000101962609	222286534	/nfs/dbraw/zinc/28/65/34/222286534.db2.gz	AWBDPDMZZWXRBX-CQGUWYRNSA-N	1	0	361.438	4.566	1	0		FJAFRO
CC(C)CCC(=O)CC[C@]1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2C	ZINC000004214665	204127031	/nfs/dbraw/zinc/12/70/31/204127031.db2.gz	JZFZEWWOIOYBTQ-YTFSRNRJSA-N	1	0	357.538	4.702	1	0	in-man	FJAFRO
CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1	ZINC000004886429	204173017	/nfs/dbraw/zinc/17/30/17/204173017.db2.gz	FXZKPMWWWRDVCA-AYHJJNSGSA-N	1	0	369.534	4.628	3	0		FJAFRO
Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1	ZINC000012365484	204454893	/nfs/dbraw/zinc/45/48/93/204454893.db2.gz	YQNWOWVFDPJBQU-UHFFFAOYSA-N	1	0	364.453	4.500	1	0		FJAFRO
CC(C)=CCn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCc1ccccc1Cl	ZINC000013743299	204550092	/nfs/dbraw/zinc/55/00/92/204550092.db2.gz	JIEGOIANEFFTCT-HXUWFJFHSA-N	1	0	370.924	4.678	1	0		FJAFRO
CC(C)(C)[NH2+]CCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1	ZINC000027104932	204860380	/nfs/dbraw/zinc/86/03/80/204860380.db2.gz	BGIWICLIRFSTGA-UHFFFAOYSA-N	1	0	351.446	4.617	1	0		FJAFRO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2nc(-c4ccccc4)no2)[N@@H+]3C)cc1	ZINC000036270972	205008520	/nfs/dbraw/zinc/00/85/20/205008520.db2.gz	WYJIEKRDCVWTRP-MXEMCNAFSA-N	1	0	359.473	4.779	1	0		FJAFRO
CC(C)[NH+]1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1	ZINC000038444291	205039826	/nfs/dbraw/zinc/03/98/26/205039826.db2.gz	HMRCFUPGLARKML-UHFFFAOYSA-N	1	0	355.869	4.550	1	0		FJAFRO
CC[NH+](CC)CCCN1CC=C2c3ccccc3C(c3ccccc3)=C2C1	ZINC000039223512	205044526	/nfs/dbraw/zinc/04/45/26/205044526.db2.gz	JVUOSBPMBYBDSJ-UHFFFAOYSA-N	1	0	358.529	4.933	1	0		FJAFRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CCN(Cc3ccc(F)cc3F)CC1)C2	ZINC000040976314	205086368	/nfs/dbraw/zinc/08/63/68/205086368.db2.gz	VCOOTZBAKHCZJY-CNDZOEFASA-N	1	0	362.508	4.734	1	0		FJAFRO
CC[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1	ZINC000040503953	205071940	/nfs/dbraw/zinc/07/19/40/205071940.db2.gz	UMQIMQWQFGSUNK-UHFFFAOYSA-N	1	0	365.908	4.647	1	0		FJAFRO
Clc1ccc(C2=CCc3ccc(Cl)cc3N=C2N2CC[NH2+]CC2)cc1	ZINC000040503881	205072348	/nfs/dbraw/zinc/07/23/48/205072348.db2.gz	KHANFSCNEHKVKC-UHFFFAOYSA-N	1	0	372.299	4.568	1	0		FJAFRO
CC[C@H](O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3	ZINC000045314949	205120115	/nfs/dbraw/zinc/12/01/15/205120115.db2.gz	FUFRFLWNWBDQQA-AYEXWZOKSA-N	1	0	369.549	4.694	1	0		FJAFRO
Cc1cc(NCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2[nH+]1	ZINC000045366432	205121824	/nfs/dbraw/zinc/12/18/24/205121824.db2.gz	IWAFCNWFYVNFOJ-UHFFFAOYSA-N	1	0	360.244	4.901	1	0		FJAFRO
Clc1ccc([C@@H]2[NH+]=C(N3CCCC3)NC3=C2CCc2ccccc23)cc1	ZINC000045302897	211813151	/nfs/dbraw/zinc/81/31/51/211813151.db2.gz	KYSMHUKHOGSUDY-FQEVSTJZSA-N	1	0	363.892	4.794	1	0		FJAFRO
CCCC[NH+](CCCC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12	ZINC000095567550	205789485	/nfs/dbraw/zinc/78/94/85/205789485.db2.gz	XWJGQYWMUSCLGO-UHFFFAOYSA-N	1	0	351.874	4.857	3	0		FJAFRO
CC1(C)CC(NC(=O)c2ccc(Sc3ccccc3)cc2)CC(C)(C)[NH2+]1	ZINC000145876729	206139537	/nfs/dbraw/zinc/13/95/37/206139537.db2.gz	VOXMADQJUSGJMQ-UHFFFAOYSA-N	1	0	368.546	4.877	1	0		FJAFRO
CC(C)(C)[C@@]1(O)CC[N@@H+]2C[C@H]3Cc4ccccc4Cc4cccc(c43)[C@H]2C1	ZINC000169337510	206252547	/nfs/dbraw/zinc/25/25/47/206252547.db2.gz	DAVHTUSZZYGLKT-QFZWGZQFSA-N	1	0	361.529	4.845	1	0		FJAFRO
COc1ccc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1	ZINC000027106499	211459646	/nfs/dbraw/zinc/45/96/46/211459646.db2.gz	PVEDDOYQFMYTGA-IRLDBZIGSA-N	1	0	370.428	4.593	1	0		FJAFRO
CC[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000019802382	211257792	/nfs/dbraw/zinc/25/77/92/211257792.db2.gz	XHQHCGIOFLGRDM-SFHVURJKSA-N	1	0	358.938	4.726	1	0		FJAFRO
CN1Cc2ccccc2C2(CC[NH+](C3CCC(C(C)(C)C)CC3)CC2)C1=O	ZINC000014977286	211111933	/nfs/dbraw/zinc/11/19/33/211111933.db2.gz	KVKKMSGMLQKOOS-UHFFFAOYSA-N	1	0	368.565	4.597	1	0		FJAFRO
CCC[C@@H]1CNC(=O)C12CC[NH+](C1(c3ccc(F)cc3)CCCCC1)CC2	ZINC000014210504	211085265	/nfs/dbraw/zinc/08/52/65/211085265.db2.gz	YGXIRUYGAMKSJZ-LJQANCHMSA-N	1	0	372.528	4.613	1	0		FJAFRO
C[N@@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccc4ccccc4c3c12	ZINC000013741139	211056007	/nfs/dbraw/zinc/05/60/07/211056007.db2.gz	HPUSLEQBUFQORT-BVZFJXPGSA-N	1	0	368.480	4.963	1	0		FJAFRO
COc1ccc2c(c1)CC[C@@H](CC[NH+]1CCC(c3ccccc3)CC1)C2=O	ZINC000013588377	211041587	/nfs/dbraw/zinc/04/15/87/211041587.db2.gz	HRMMILVLHGLQCI-FQEVSTJZSA-N	1	0	363.501	4.710	1	0		FJAFRO
C[C@H](C[N@@H+]1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1	ZINC000013475607	211035971	/nfs/dbraw/zinc/03/59/71/211035971.db2.gz	LMKGEGFYXCALHV-BSDZUQITSA-N	1	0	365.517	4.774	1	0		FJAFRO
Fc1ccc(CC[NH+]2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1	ZINC000013472077	211035642	/nfs/dbraw/zinc/03/56/42/211035642.db2.gz	HTKIFNUUHOERMF-UHFFFAOYSA-N	1	0	359.391	4.587	1	0		FJAFRO
CC[C@H](C)[C@@H](C[NH+]1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000013446372	211033800	/nfs/dbraw/zinc/03/38/00/211033800.db2.gz	DLIKNFBWOSJTBG-KBXCAEBGSA-N	1	0	371.352	4.505	1	0		FJAFRO
CCC[N@@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3	ZINC000066074347	221239082	/nfs/dbraw/zinc/23/90/82/221239082.db2.gz	FVKWMLJXSQTSBS-LJQANCHMSA-N	1	0	355.453	4.663	1	0		FJAFRO
c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]([NH2+]Cc3ccncc3)CO2)cc1	ZINC000071317161	221341845	/nfs/dbraw/zinc/34/18/45/221341845.db2.gz	KGHAHWPNNYYHEX-GOTSBHOMSA-N	1	0	358.485	4.551	1	0		FJAFRO
C[NH2+]CCC[C@@]1(C)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O	ZINC000028528300	132918321	/nfs/dbraw/zinc/91/83/21/132918321.db2.gz	JTBUWXHKRDNJAX-NRFANRHFSA-N	1	0	356.897	4.875	1	0		FJAFRO
Fc1ccc(SCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000073239724	136149916	/nfs/dbraw/zinc/14/99/16/136149916.db2.gz	QEVFANOTWOZMFN-UHFFFAOYSA-N	1	0	364.917	4.784	1	0		FJAFRO
CC[NH+](CC)C[C@@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc31)C2	ZINC000028873454	136153563	/nfs/dbraw/zinc/15/35/63/136153563.db2.gz	TXNFYPIAXHMYBE-GUXCAODWSA-N	1	0	357.929	4.835	1	0		FJAFRO
CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccccn1	ZINC000096914902	222138671	/nfs/dbraw/zinc/13/86/71/222138671.db2.gz	LCGBJGSXBKABKI-UHFFFAOYSA-N	1	0	354.457	4.786	1	0		FJAFRO
CN(C)c1cc2[nH+]c(C3CCCCC3)[nH]c2cc1NC(=O)c1ccccc1	ZINC000103255865	222329538	/nfs/dbraw/zinc/32/95/38/222329538.db2.gz	DSBJMOYFBOXLHN-UHFFFAOYSA-N	1	0	362.477	4.929	1	0		FJAFRO
c1ccc2oc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1	ZINC000040936579	581092046	/nfs/dbraw/zinc/09/20/46/581092046.db2.gz	AXAJOTXUFNUVRQ-UHFFFAOYSA-N	1	0	352.434	4.875	1	0		FJAFRO
C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000013587851	210181294	/nfs/dbraw/zinc/18/12/94/210181294.db2.gz	UVZXIKHRPFCSKF-NLGFINLOSA-N	1	0	374.613	4.710	1	0		FJAFRO
Clc1ccc2c(c1)nccc2NCCC[N@@H+]1CCc2ccccc2C1	ZINC000064573631	212040543	/nfs/dbraw/zinc/04/05/43/212040543.db2.gz	CJHQOXVRJMZKRI-UHFFFAOYSA-N	1	0	351.881	4.749	1	0		FJAFRO
COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1	ZINC000064379442	212037865	/nfs/dbraw/zinc/03/78/65/212037865.db2.gz	SUYRDAUAEDYGHW-WOJBJXKFSA-N	1	0	357.881	4.651	1	0	in-vivo	FJAFRO
Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCC2)c1	ZINC000004857154	204170192	/nfs/dbraw/zinc/17/01/92/204170192.db2.gz	MMVOFDXFPOWXGQ-VCSGRIEYSA-N	1	0	371.594	4.918	3	0		FJAFRO
C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000005573853	204216565	/nfs/dbraw/zinc/21/65/65/204216565.db2.gz	MLUKYQZFCRKVSG-XXQHSVDTSA-N	1	0	356.293	4.670	3	0		FJAFRO
Cc1ccc([C@@H]2NC(=[NH2+])NC3=C2CCOc2c4ccccc4ccc23)cc1	ZINC000006522740	204251787	/nfs/dbraw/zinc/25/17/87/204251787.db2.gz	UCXARMUKMKBNJB-FQEVSTJZSA-N	1	0	355.441	4.511	1	0		FJAFRO
CC(C)CC[N@@H+]1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3	ZINC000007991977	204313772	/nfs/dbraw/zinc/31/37/72/204313772.db2.gz	AIXQLNDNGJLHFO-QGZVFWFLSA-N	1	0	350.506	4.614	1	0		FJAFRO
OC1(c2ccccc2)CC[NH+]([C@H](Cc2ccccc2)c2ccccc2)CC1	ZINC000028708120	204886806	/nfs/dbraw/zinc/88/68/06/204886806.db2.gz	FEOIETAFCTYQIE-XMMPIXPASA-N	1	0	357.497	4.954	1	0	in-vivo	FJAFRO
CC(=O)O[C@H]1CC2([NH+](C)C)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000028863164	204889401	/nfs/dbraw/zinc/88/94/01/204889401.db2.gz	TWABYZAIMLYBQR-VOZKMPIISA-N	1	0	363.501	4.600	1	0		FJAFRO
C[NH+](C)[C@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)n2)c2ccccc12	ZINC000029343543	204898729	/nfs/dbraw/zinc/89/87/29/204898729.db2.gz	HAUBUNNZVAGIGM-UNMCSNQZSA-N	1	0	361.489	4.736	1	0		FJAFRO
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2CN(c3ccccc3)C[C@@H]2C1	ZINC000036289103	205008247	/nfs/dbraw/zinc/00/82/47/205008247.db2.gz	NIKYPYAIHGCRMC-WIOPSUGQSA-N	1	0	358.529	4.865	1	0		FJAFRO
CC(C)=CC1([NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CCCCC1	ZINC000038147587	205039088	/nfs/dbraw/zinc/03/90/88/205039088.db2.gz	YGUWHZGNNDRWKA-NRFANRHFSA-N	1	0	366.549	4.651	1	0		FJAFRO
Cc1cc(C[NH+]2CCCC2)c(C)n1Nc1ccnc2cc(Cl)ccc21	ZINC000040430683	205070020	/nfs/dbraw/zinc/07/00/20/205070020.db2.gz	MURFQFOMMRDIIU-UHFFFAOYSA-N	1	0	354.885	4.778	1	0		FJAFRO
Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(C2CC[NH2+]CC2)n1	ZINC000049052767	205168583	/nfs/dbraw/zinc/16/85/83/205168583.db2.gz	VEAPZTZLGFDHAO-UHFFFAOYSA-N	1	0	357.816	4.663	1	0		FJAFRO
C[NH+]1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1	ZINC000049112958	205170037	/nfs/dbraw/zinc/17/00/37/205170037.db2.gz	FULHSULYTYVOGW-UHFFFAOYSA-N	1	0	352.869	4.601	1	0		FJAFRO
[NH3+][C@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1	ZINC000053298302	205192056	/nfs/dbraw/zinc/19/20/56/205192056.db2.gz	CAZPUPYLGDBILQ-HNNXBMFYSA-N	1	0	373.378	4.920	1	0		FJAFRO
CCCCn1c2ccccc2c2cc(CNCCC[NH+](CC)CC)ncc21	ZINC000053313754	205192647	/nfs/dbraw/zinc/19/26/47/205192647.db2.gz	RRCRAUDLHDNLNB-UHFFFAOYSA-N	1	0	366.553	4.811	1	0		FJAFRO
[NH3+][C@@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2)n1	ZINC000061903290	205287749	/nfs/dbraw/zinc/28/77/49/205287749.db2.gz	SHLFHGPJSLTUOV-HNNXBMFYSA-N	1	0	372.881	4.683	3	0		FJAFRO
[NH3+][C@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)C1CCCCC1	ZINC000061908206	205289995	/nfs/dbraw/zinc/28/99/95/205289995.db2.gz	GGBWRHFKVKLPNQ-AWEZNQCLSA-N	1	0	356.417	4.881	3	0		FJAFRO
Cc1ccc([C@@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)nc1	ZINC000043021305	211786460	/nfs/dbraw/zinc/78/64/60/211786460.db2.gz	OWUWJHDPUJMAGB-SFHVURJKSA-N	1	0	351.277	4.817	1	0		FJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2	ZINC000101151859	205953734	/nfs/dbraw/zinc/95/37/34/205953734.db2.gz	HVRWHBXGKRCKSP-IZZQQSIFSA-N	1	0	356.491	4.517	1	0		FJAFRO
CC[C@H]1c2ccccc2N(C2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)C1=O	ZINC000117334553	206102413	/nfs/dbraw/zinc/10/24/13/206102413.db2.gz	PEUSKIKGDTWFQX-VXKWHMMOSA-N	1	0	374.528	4.549	1	0		FJAFRO
O[C@H](C[C@@H]1CCCC[NH2+]1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc21	ZINC000169334823	206251700	/nfs/dbraw/zinc/25/17/00/206251700.db2.gz	YRDGFJXTCBQLJX-HTAPYJJXSA-N	1	0	368.427	4.746	1	0		FJAFRO
c1cc2c(NC3CC[NH+](Cc4ccccc4)CC3)nc3ccsc3n2c1	ZINC000169329275	206251734	/nfs/dbraw/zinc/25/17/34/206251734.db2.gz	UXSALLQHLMCUCB-UHFFFAOYSA-N	1	0	362.502	4.626	1	0		FJAFRO
CC(C)(C)[C@]1(O)CC[C@H]2c3cccc4c3[C@@H](C[N@@H+]2C1)c1ccccc1CC4	ZINC000169343283	206252030	/nfs/dbraw/zinc/25/20/30/206252030.db2.gz	UAIWUOYHTCHUPM-HWBMXIPRSA-N	1	0	361.529	4.845	1	0		FJAFRO
Clc1ccc(-c2cnc3cc4c(cc3n2)[C@H]2C[C@@H]4C[NH2+]C2)c(Cl)c1	ZINC000028527288	211491301	/nfs/dbraw/zinc/49/13/01/211491301.db2.gz	DARDPWIATXWZOT-MNOVXSKESA-N	1	0	356.256	4.778	1	0		FJAFRO
CCC[n+]1c(/C=C/c2c(OC)cc(OC)cc2OC)ccc2ccccc21	ZINC000017063658	211174871	/nfs/dbraw/zinc/17/48/71/211174871.db2.gz	HTKARICGWUKCDH-OUKQBFOZSA-N	1	0	364.465	4.734	1	0		FJAFRO
CCCC[N@@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12	ZINC000013741145	211056976	/nfs/dbraw/zinc/05/69/76/211056976.db2.gz	NFMMEMGJUAQARN-UUOWRZLLSA-N	1	0	360.501	4.980	1	0		FJAFRO
Cc1c(Cl)cccc1C(=O)N[C@H](CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000013684677	211048133	/nfs/dbraw/zinc/04/81/33/211048133.db2.gz	HJQMMBXVBUXCGC-GOSISDBHSA-N	1	0	365.304	4.725	1	0		FJAFRO
C[C@H](C[N@@H+]1CC[C@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1	ZINC000013475610	211035729	/nfs/dbraw/zinc/03/57/29/211035729.db2.gz	LMKGEGFYXCALHV-OUPRXKBMSA-N	1	0	365.517	4.774	1	0		FJAFRO
CC(C)[NH+](C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1)C(C)C	ZINC000013436863	211034701	/nfs/dbraw/zinc/03/47/01/211034701.db2.gz	HXBMOXWVYIRYHK-REWPJTCUSA-N	1	0	350.506	4.961	1	0		FJAFRO
CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1	ZINC000066166567	221242460	/nfs/dbraw/zinc/24/24/60/221242460.db2.gz	NTUDVDVWUJGHJL-INIZCTEOSA-N	1	0	357.325	4.624	1	0		FJAFRO
CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CCCF	ZINC000071316560	221341227	/nfs/dbraw/zinc/34/12/27/221341227.db2.gz	YGQWFAZFHVPQCH-RRMPHLOHSA-N	1	0	373.541	4.756	1	0		FJAFRO
CO[C@@H]1Cc2ccccc2C2(CCC([N@H+](C)Cc3ccccc3)CC2)O1	ZINC000071332449	221344181	/nfs/dbraw/zinc/34/41/81/221344181.db2.gz	AFKWCRVKGFPGQY-APKLWFBNSA-N	1	0	351.490	4.502	1	0		FJAFRO
CC(C)([NH3+])c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1	ZINC000072118804	221408347	/nfs/dbraw/zinc/40/83/47/221408347.db2.gz	WDLADOAVWBKUSG-UHFFFAOYSA-N	1	0	367.802	4.951	1	0		FJAFRO
Clc1ccccc1[C@H]1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CC1	ZINC000100085747	132232061	/nfs/dbraw/zinc/23/20/61/132232061.db2.gz	QSUQNNQRYGZRHL-HDICACEKSA-N	1	0	355.913	4.583	1	0		FJAFRO
CC[C@@H](C)C[N@@H+]1CCN(c2ccc(NC(=O)c3cccs3)cc2)[C@@H](C)C1	ZINC000058482546	136131974	/nfs/dbraw/zinc/13/19/74/136131974.db2.gz	GLFWSJZORURSFC-SJORKVTESA-N	1	0	371.550	4.557	1	0		FJAFRO
C[NH+]1CCN(c2cnc3cccc(-c4ccc5ccccc5c4)c3c2)CC1	ZINC000071317278	136138927	/nfs/dbraw/zinc/13/89/27/136138927.db2.gz	BXWKDQODKZWDDN-UHFFFAOYSA-N	1	0	353.469	4.807	1	0		FJAFRO
Clc1ccc([C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000072184604	136143762	/nfs/dbraw/zinc/14/37/62/136143762.db2.gz	NTKIYDPPTOXAHC-QFIPXVFZSA-N	1	0	363.892	4.647	1	0		FJAFRO
O=C1C[C@H](c2ccc(Cl)cc2)[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	ZINC000096929572	222142233	/nfs/dbraw/zinc/14/22/33/222142233.db2.gz	FLOVARDSPJUOHV-PWRODBHTSA-N	1	0	368.908	4.714	1	0		FJAFRO
CCC[C@](O)(CC[NH+]1CCCCCC1)c1ccc(Br)cc1	ZINC000002922696	204067759	/nfs/dbraw/zinc/06/77/59/204067759.db2.gz	SVDDXZDOTJWEFW-SFHVURJKSA-N	1	0	354.332	4.703	1	0		FJAFRO
C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[NH+]1CCCC1)c1cccc2sccc21	ZINC000013860895	204556582	/nfs/dbraw/zinc/55/65/82/204556582.db2.gz	UMIAZJFHSCKPMM-VDGAXYAQSA-N	1	0	370.562	4.870	1	0		FJAFRO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1[NH+](CC)CC	ZINC000028237185	204877905	/nfs/dbraw/zinc/87/79/05/204877905.db2.gz	PRAPITNKKQIFOR-IRXDYDNUSA-N	1	0	357.325	4.999	1	0		FJAFRO
Clc1ccc(CN2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)cc1	ZINC000040894589	205084215	/nfs/dbraw/zinc/08/42/15/205084215.db2.gz	RZZAHLLQLSKGSP-UHFFFAOYSA-N	1	0	358.957	4.719	1	0		FJAFRO
Fc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@H]2CCC[NH2+]2)cc1	ZINC000043059579	205099320	/nfs/dbraw/zinc/09/93/20/205099320.db2.gz	ZQQZKKTVLQYQNH-QGZVFWFLSA-N	1	0	374.419	4.981	1	0		FJAFRO
COc1cc2c(cc1OC)[C@@H](Cc1ccc(-c3ccccc3)cc1)[NH2+]CC2	ZINC000040567183	205071719	/nfs/dbraw/zinc/07/17/19/205071719.db2.gz	TWQRQCHZCOBGHG-JOCHJYFZSA-N	1	0	359.469	4.800	1	0		FJAFRO
Cc1cc(C)c(C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000045168750	205117389	/nfs/dbraw/zinc/11/73/89/205117389.db2.gz	ZOWNMACSRLEUJC-JXFKEZNVSA-N	1	0	365.439	4.885	1	0		FJAFRO
Cc1c(C[NH2+][C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1	ZINC000043071920	205099987	/nfs/dbraw/zinc/09/99/87/205099987.db2.gz	GEYZUIQCDURJOF-HIFRSBDPSA-N	1	0	373.369	4.534	1	0		FJAFRO
Cc1ccnc([C@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)c1	ZINC000043078114	211787661	/nfs/dbraw/zinc/78/76/61/211787661.db2.gz	PWCRFPCCCWITCB-GOSISDBHSA-N	1	0	351.277	4.817	1	0		FJAFRO
c1ccc(CC[NH2+][C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1	ZINC000103228722	205987607	/nfs/dbraw/zinc/98/76/07/205987607.db2.gz	RGYZGJKKKYQJQI-RPWUZVMVSA-N	1	0	357.497	4.808	1	0		FJAFRO
Oc1cccc([C@@H](Cc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000169317910	206249896	/nfs/dbraw/zinc/24/98/96/206249896.db2.gz	LGLGIHXESONYFR-XMMPIXPASA-N	1	0	364.533	4.626	1	0		FJAFRO
Cc1ccc(-c2cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c3cc(F)ccc3n2)cc1	ZINC000169334815	206252147	/nfs/dbraw/zinc/25/21/47/206252147.db2.gz	JOQWCIZAXJWNHJ-FDDCHVKYSA-N	1	0	364.464	4.915	1	0		FJAFRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000029555034	211514802	/nfs/dbraw/zinc/51/48/02/211514802.db2.gz	JNOQHEQRKNYCJI-WOJBJXKFSA-N	1	0	364.533	4.501	1	0		FJAFRO
Fc1ccc(-[n+]2nc(-c3cccc4ccccc43)nn2-c2ccccc2)cc1	ZINC000029130861	211505607	/nfs/dbraw/zinc/50/56/07/211505607.db2.gz	APJKVVZNHUYUMY-UHFFFAOYSA-N	1	0	367.407	4.503	1	0		FJAFRO
CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCC[NH3+])c1	ZINC000026485864	211448431	/nfs/dbraw/zinc/44/84/31/211448431.db2.gz	AAKQJTJLPOJEEF-NRFANRHFSA-N	1	0	359.558	4.681	1	0		FJAFRO
CC[N@H+](Cc1ccccc1)Cc1ccccc1C(=O)N(C)c1ccccc1	ZINC000013862495	211064389	/nfs/dbraw/zinc/06/43/89/211064389.db2.gz	JIBPVCGAGDZNGL-UHFFFAOYSA-N	1	0	358.485	4.985	1	0		FJAFRO
O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1	ZINC000013861052	211063816	/nfs/dbraw/zinc/06/38/16/211063816.db2.gz	QRIZARXGKJRHBY-HSZRJFAPSA-N	1	0	368.565	4.754	1	0		FJAFRO
C[NH+](C)Cc1ccc2n1Cc1ccccc1S[C@@H]2c1ccc(F)cc1	ZINC000013799832	211059672	/nfs/dbraw/zinc/05/96/72/211059672.db2.gz	BNYCBMXEHRYBIC-OAQYLSRUSA-N	1	0	352.478	4.932	1	0		FJAFRO
Clc1ccc(OCc2nc3ccccc3n2CCC2CC[NH2+]CC2)cc1	ZINC000013780290	211059299	/nfs/dbraw/zinc/05/92/99/211059299.db2.gz	MRRRBCQPWCOTKO-UHFFFAOYSA-N	1	0	369.896	4.658	1	0		FJAFRO
CCC[N@H+](CCc1cccs1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1	ZINC000013741760	211055848	/nfs/dbraw/zinc/05/58/48/211055848.db2.gz	NATZFOMSDOBVCC-GOSISDBHSA-N	1	0	366.530	4.854	1	0		FJAFRO
Cc1cccc(Cl)c1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000013684741	211049120	/nfs/dbraw/zinc/04/91/20/211049120.db2.gz	AVFNQIJRKYRGOK-KRWDZBQOSA-N	1	0	365.304	4.725	1	0		FJAFRO
CC(C)C1CC[NH+](CCCCN2c3cccc4cccc(c34)C2=O)CC1	ZINC000013531145	211038261	/nfs/dbraw/zinc/03/82/61/211038261.db2.gz	DFEGJCFQOIKENM-UHFFFAOYSA-N	1	0	350.506	4.948	1	0		FJAFRO
CC(C)[C@@H](C[NH+]1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000013446354	211034283	/nfs/dbraw/zinc/03/42/83/211034283.db2.gz	BMSLJPQGUMZLNE-GOSISDBHSA-N	1	0	371.352	4.505	1	0		FJAFRO
FC(F)(F)Oc1ccc(-c2cn(Cc3ccccc3)c3c2C[NH2+]CC3)cc1	ZINC000066112000	221241806	/nfs/dbraw/zinc/24/18/06/221241806.db2.gz	JZHOADSBUGKCTH-UHFFFAOYSA-N	1	0	372.390	4.748	1	0		FJAFRO
Cc1c(-c2ccccc2)c2cc(Cl)ccc2nc1N1CC[NH+](C)CC1	ZINC000001623109	132382280	/nfs/dbraw/zinc/38/22/80/132382280.db2.gz	NZQWFHXJDJCBPA-UHFFFAOYSA-N	1	0	351.881	4.615	1	0		FJAFRO
CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](C)CC1)=N2	ZINC000102116007	222289149	/nfs/dbraw/zinc/28/91/49/222289149.db2.gz	NNUXVQJBURIDOK-UHFFFAOYSA-N	1	0	359.517	4.556	1	0		FJAFRO
Cc1ccc(-c2cc([C@H](O)C[C@H]3CCCC[NH2+]3)c3cc(F)ccc3n2)cc1	ZINC000169334819	222563484	/nfs/dbraw/zinc/56/34/84/222563484.db2.gz	JOQWCIZAXJWNHJ-WZONZLPQSA-N	1	0	364.464	4.915	1	0		FJAFRO
CCCCCCNC(=[NH2+])c1ccc(N2CCN(c3ccccc3)CC2)cc1	ZINC000073197802	534990661	/nfs/dbraw/zinc/99/06/61/534990661.db2.gz	OMYKTUCWWFAHNI-UHFFFAOYSA-N	1	0	364.537	4.508	1	0		FJAFRO
[NH3+][C@@H](Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1	ZINC000061928460	212027758	/nfs/dbraw/zinc/02/77/58/212027758.db2.gz	SFDXUDKASGPRNY-ZDUSSCGKSA-N	1	0	364.396	4.543	3	0		FJAFRO
O=C(Oc1ccccc1)N1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000003956316	204117386	/nfs/dbraw/zinc/11/73/86/204117386.db2.gz	MOXIYCNISXAIQV-UHFFFAOYSA-N	1	0	364.489	4.564	1	0		FJAFRO
COc1cccc(NC(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1	ZINC000013684812	204546396	/nfs/dbraw/zinc/54/63/96/204546396.db2.gz	DVOLCAAFHLSTNK-SFHVURJKSA-N	1	0	362.857	4.590	1	0		FJAFRO
CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2CC[NH+](C)CC2)cc1	ZINC000013814360	204554460	/nfs/dbraw/zinc/55/44/60/204554460.db2.gz	ZREUYGHIRGMBCR-UHFFFAOYSA-N	1	0	362.517	4.696	1	0		FJAFRO
CN(C(=O)Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[NH+]1CCCCC1	ZINC000027900436	204872168	/nfs/dbraw/zinc/87/21/68/204872168.db2.gz	PCSNJPSRIZXIRW-WOJBJXKFSA-N	1	0	370.562	4.699	1	0		FJAFRO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCC[C@@H]1[NH+](C)C	ZINC000028237287	204878082	/nfs/dbraw/zinc/87/80/82/204878082.db2.gz	CKBBSTXXVDRFDD-IRXDYDNUSA-N	1	0	357.325	4.999	1	0		FJAFRO
Fc1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1	ZINC000038322612	205039678	/nfs/dbraw/zinc/03/96/78/205039678.db2.gz	KQGGYEZSINLKFH-BJKOFHAPSA-N	1	0	374.503	4.868	1	0		FJAFRO
CCCCCCC(CCCCCC)NC(=O)CCCc1c[nH+]c(N)[nH]1	ZINC000043013591	205099839	/nfs/dbraw/zinc/09/98/39/205099839.db2.gz	WKHWXZVYODILOE-UHFFFAOYSA-N	1	0	350.551	4.740	1	0		FJAFRO
Cc1ccc([C@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)nc1	ZINC000043021303	205100098	/nfs/dbraw/zinc/10/00/98/205100098.db2.gz	OWUWJHDPUJMAGB-GOSISDBHSA-N	1	0	351.277	4.817	1	0		FJAFRO
C[C@]1(Oc2ccc(Cl)cc2)CC[N@H+](Cc2cccn2-c2nccs2)C1	ZINC000061929196	205289655	/nfs/dbraw/zinc/28/96/55/205289655.db2.gz	WGYSJJLXSWGZDW-IBGZPJMESA-N	1	0	373.909	4.631	3	0		FJAFRO
CCCCCC[C@@]1(C)NC(=[NH2+])N=C(N)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000045209702	211811090	/nfs/dbraw/zinc/81/10/90/211811090.db2.gz	IWCHSUVCEDNRLB-RHSMWYFYSA-N	1	0	355.313	4.911	1	0		FJAFRO
CC(C)=CC1([NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CCCCC1	ZINC000038147588	211698093	/nfs/dbraw/zinc/69/80/93/211698093.db2.gz	YGUWHZGNNDRWKA-OAQYLSRUSA-N	1	0	366.549	4.651	1	0		FJAFRO
Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1Cl	ZINC000148890076	206142002	/nfs/dbraw/zinc/14/20/02/206142002.db2.gz	JLVMAEWBWUMRKB-GOSISDBHSA-N	1	0	373.287	4.808	1	0		FJAFRO
CCC[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1	ZINC000169325774	206250749	/nfs/dbraw/zinc/25/07/49/206250749.db2.gz	WJQRFSGEUIIICW-UHFFFAOYSA-N	1	0	374.941	4.589	1	0		FJAFRO
OC1(c2ccccc2Cc2ccccc2)CC[NH+](CCc2ccccc2)CC1	ZINC000169322412	206250914	/nfs/dbraw/zinc/25/09/14/206250914.db2.gz	RKKMVARMISEJST-UHFFFAOYSA-N	1	0	371.524	4.804	1	0		FJAFRO
COc1cc(N[C@H](C)CCC[NH3+])c2nccc(CC3CCCCC3)c2c1	ZINC000169329218	206251607	/nfs/dbraw/zinc/25/16/07/206251607.db2.gz	FEGDZHPGXCANQG-MRXNPFEDSA-N	1	0	355.526	4.906	1	0		FJAFRO
CCCCN1N=C2/C(=C/c3ccccc3)C[N@@H+](C)C[C@@H]2[C@@H]1c1ccccc1	ZINC000169328998	206252701	/nfs/dbraw/zinc/25/27/01/206252701.db2.gz	ZAQZOHNCTFTXGU-FPRUBCACSA-N	1	0	359.517	4.845	1	0		FJAFRO
C[N@@H+]1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3c(ccc4ccccc34)c12	ZINC000013741137	211055153	/nfs/dbraw/zinc/05/51/53/211055153.db2.gz	LAODXGIVJPBGKB-BVZFJXPGSA-N	1	0	368.480	4.963	1	0		FJAFRO
CC(C)=CC[N@H+]1CC[C@]2(C)c3c(Br)c(O)ccc3C[C@H]1[C@H]2C	ZINC000013742460	211057116	/nfs/dbraw/zinc/05/71/16/211057116.db2.gz	DOUQADGXCVUBSK-WTANOLMUSA-N	1	0	364.327	4.645	1	0		FJAFRO
CC(C)=CC[N@H+]1CC[C@]2(C)c3cc(O)c(Br)cc3C[C@H]1[C@H]2C	ZINC000013742461	211056862	/nfs/dbraw/zinc/05/68/62/211056862.db2.gz	YTONQGWHDGBSSY-FMEYXAORSA-N	1	0	364.327	4.645	1	0		FJAFRO
COc1ccc(OCC2=[NH+][C@H](c3ccccc3)c3ccccc3CN2C)cc1	ZINC000013600235	211042189	/nfs/dbraw/zinc/04/21/89/211042189.db2.gz	LZJXEVKNPXCUIU-XMMPIXPASA-N	1	0	372.468	4.708	1	0		FJAFRO
C[NH+](C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1	ZINC000013611465	211043077	/nfs/dbraw/zinc/04/30/77/211043077.db2.gz	FXHLGRYCQSRFHY-OHNRDTAOSA-N	1	0	374.278	4.730	1	0		FJAFRO
C[NH+](C)C[C@H]1C[C@@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1	ZINC000013611467	211042915	/nfs/dbraw/zinc/04/29/15/211042915.db2.gz	FXHLGRYCQSRFHY-MUKKUYKPSA-N	1	0	374.278	4.730	1	0		FJAFRO
CC(C)C[C@@H](C[NH+]1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000013446375	211034614	/nfs/dbraw/zinc/03/46/14/211034614.db2.gz	SGHSVADHKSBPNW-INIZCTEOSA-N	1	0	371.352	4.505	1	0		FJAFRO
Clc1ccccc1[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1	ZINC000100085743	132232020	/nfs/dbraw/zinc/23/20/20/132232020.db2.gz	QSUQNNQRYGZRHL-IYARVYRRSA-N	1	0	355.913	4.583	1	0		FJAFRO
C[NH2+]CCC[C@@H]1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000028528518	132918384	/nfs/dbraw/zinc/91/83/84/132918384.db2.gz	GTKJFGPZQFGMLW-OAHLLOKOSA-N	1	0	362.395	4.542	1	0		FJAFRO
CC[N@@H+]1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1	ZINC000040878942	136120548	/nfs/dbraw/zinc/12/05/48/136120548.db2.gz	NDISOCGETLUCIC-GFCCVEGCSA-N	1	0	366.962	4.637	1	0		FJAFRO
c1ccc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1	ZINC000096940342	222145569	/nfs/dbraw/zinc/14/55/69/222145569.db2.gz	XESNQMLFTITTNJ-JOCHJYFZSA-N	1	0	350.506	4.623	1	0		FJAFRO
c1ccc(CC[NH2+][C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1	ZINC000103228714	222326186	/nfs/dbraw/zinc/32/61/86/222326186.db2.gz	RGYZGJKKKYQJQI-ZEQRLZLVSA-N	1	0	357.497	4.808	1	0		FJAFRO
CSc1sc(C(N)=[NH2+])cc1-c1csc(NCc2ccc(C)cc2)n1	ZINC000028006273	581096596	/nfs/dbraw/zinc/09/65/96/581096596.db2.gz	YODCXSDDGBHEEN-UHFFFAOYSA-N	1	0	374.560	4.798	1	0		FJAFRO
CC(C)[N@@H+]1CCC[C@@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1	ZINC000061930700	212027709	/nfs/dbraw/zinc/02/77/09/212027709.db2.gz	QNCUUNANXNUYCM-JOCHJYFZSA-N	1	0	352.478	4.928	3	0		FJAFRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccn1)c1cccc2ccccc21	ZINC000036476027	205015582	/nfs/dbraw/zinc/01/55/82/205015582.db2.gz	KVMPYEHGZNAKJG-MTNREXPMSA-N	1	0	373.500	4.627	1	0		FJAFRO
CC(C)NC(=[NH2+])c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1	ZINC000040403780	205069621	/nfs/dbraw/zinc/06/96/21/205069621.db2.gz	SNBVHMLQLRNYBU-UHFFFAOYSA-N	1	0	372.881	4.525	1	0		FJAFRO
Cc1cc(-c2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)cnc1N	ZINC000045320654	205120563	/nfs/dbraw/zinc/12/05/63/205120563.db2.gz	AIGSJZRJEDXSRO-UHFFFAOYSA-N	1	0	351.881	4.625	1	0		FJAFRO
Cc1c2cc([C@@H]([NH3+])c3cccc(C)c3)ccc2sc1-c1ccnc(N)n1	ZINC000049036128	205169382	/nfs/dbraw/zinc/16/93/82/205169382.db2.gz	WUUOFVCLZPFLPB-IBGZPJMESA-N	1	0	360.486	4.605	1	0		FJAFRO
COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000064491741	205298540	/nfs/dbraw/zinc/29/85/40/205298540.db2.gz	MOEMZDNFRMSDIA-WOJBJXKFSA-N	1	0	357.881	4.651	1	0	in-vivo	FJAFRO
COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCCc1ccccc1	ZINC000064436528	205299389	/nfs/dbraw/zinc/29/93/89/205299389.db2.gz	TYKSHJPRQWJNHO-DHIUTWEWSA-N	1	0	365.517	4.821	1	0	in-vivo	FJAFRO
O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)C1CC[NH2+]CC1	ZINC000095578436	205789940	/nfs/dbraw/zinc/78/99/40/205789940.db2.gz	WGZJUMQTUKBYBS-UHFFFAOYSA-N	1	0	374.893	4.542	1	0		FJAFRO
c1ccc(C[N@@H+]2CCc3c(ccnc3Nc3ccc4ncccc4c3)C2)cc1	ZINC000143691041	206138152	/nfs/dbraw/zinc/13/81/52/206138152.db2.gz	KXNYOWOFBIQOKU-UHFFFAOYSA-N	1	0	366.468	4.932	1	0		FJAFRO
Cc1cccc(Oc2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)c1	ZINC000145871856	206139588	/nfs/dbraw/zinc/13/95/88/206139588.db2.gz	XZUCOWDYJTXXQD-UHFFFAOYSA-N	1	0	366.505	4.826	1	0		FJAFRO
CC[C@@H]1c2ccccc2N(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1=O	ZINC000169341835	206251781	/nfs/dbraw/zinc/25/17/81/206251781.db2.gz	IHHKRBWQSBPVHH-LJQANCHMSA-N	1	0	373.500	4.673	1	0		FJAFRO
Cc1c(Sc2ccc(Cl)c(Cl)c2)ccc2[nH+]c(N)nc(N)c12	ZINC000169337660	206252506	/nfs/dbraw/zinc/25/25/06/206252506.db2.gz	FNNGUKSZIXNARY-UHFFFAOYSA-N	1	0	351.262	4.561	1	0		FJAFRO
Fc1ccc2c(c1)c1c(n2CCCOc2ccccc2Cl)CC[NH2+]C1	ZINC000169350523	206252959	/nfs/dbraw/zinc/25/29/59/206252959.db2.gz	YETROFXSPKYAMU-UHFFFAOYSA-N	1	0	358.844	4.549	1	0		FJAFRO
Oc1ccc2c(c1)CCC[C@@H]2CCCN1CC[NH+](C2CCCCC2)CC1	ZINC000022931144	211371270	/nfs/dbraw/zinc/37/12/70/211371270.db2.gz	QGKGZEGBAYIKEG-LJQANCHMSA-N	1	0	356.554	4.543	1	0		FJAFRO
Cc1ccc([C@H]([NH3+])[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F	ZINC000022941570	211370645	/nfs/dbraw/zinc/37/06/45/211370645.db2.gz	WRBMJDRZZULRBX-GOTSBHOMSA-N	1	0	360.476	4.998	1	0		FJAFRO
CCC[C@H]1CNC(=O)C12CC[NH+](C1(c3ccc(F)cc3)CCCCC1)CC2	ZINC000013982676	211064913	/nfs/dbraw/zinc/06/49/13/211064913.db2.gz	YGXIRUYGAMKSJZ-IBGZPJMESA-N	1	0	372.528	4.613	1	0		FJAFRO
Cc1[nH]c2c(cccc2C)c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000013596887	211042925	/nfs/dbraw/zinc/04/29/25/211042925.db2.gz	BYHBJKWGXFGDAI-UHFFFAOYSA-N	1	0	362.517	4.602	3	0		FJAFRO
COC(=O)[C@H]1C[N@H+](CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1	ZINC000013475005	211036270	/nfs/dbraw/zinc/03/62/70/211036270.db2.gz	GCOMVGGFTNTLHZ-RTWAWAEBSA-N	1	0	371.908	4.551	1	0		FJAFRO
CO[C@H]1Cc2ccccc2C2(CC[NH+](CCCCc3ccccc3)CC2)O1	ZINC000013472043	211036179	/nfs/dbraw/zinc/03/61/79/211036179.db2.gz	CYEHCEOAFMAABP-HSZRJFAPSA-N	1	0	365.517	4.546	1	0		FJAFRO
c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]([NH2+]Cc3cccnc3)CO2)cc1	ZINC000071319423	221342879	/nfs/dbraw/zinc/34/28/79/221342879.db2.gz	VXBABFFANNWQMK-GOTSBHOMSA-N	1	0	358.485	4.551	1	0		FJAFRO
COc1ccccc1N1CC[NH+](Cc2ccccc2-c2ccccc2)CC1	ZINC000096910221	132226213	/nfs/dbraw/zinc/22/62/13/132226213.db2.gz	HFGOJHZGZKOYOH-UHFFFAOYSA-N	1	0	358.485	4.684	1	0		FJAFRO
CC[C@H](C)C[N@@H+]1CCN(c2ccc(NC(=O)c3cccs3)cc2)[C@@H](C)C1	ZINC000169305623	132261363	/nfs/dbraw/zinc/26/13/63/132261363.db2.gz	GLFWSJZORURSFC-IRXDYDNUSA-N	1	0	371.550	4.557	1	0		FJAFRO
FC(F)(F)c1ccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)cc1	ZINC000096285118	222111419	/nfs/dbraw/zinc/11/14/19/222111419.db2.gz	LFVMOHJIGYWNQP-UHFFFAOYSA-N	1	0	359.395	4.699	1	0		FJAFRO
Cc1ccsc1C[NH2+]CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1	ZINC000096940327	222145293	/nfs/dbraw/zinc/14/52/93/222145293.db2.gz	HBGXISQFYOPFQK-OAQYLSRUSA-N	1	0	370.562	4.992	1	0		FJAFRO
CCC(=O)N(c1ccccc1)[C@@H]1CCC[N@H+](CCc2cccs2)CC1	ZINC000103230037	222325868	/nfs/dbraw/zinc/32/58/68/222325868.db2.gz	JMBXBTYIZOYHHH-LJQANCHMSA-N	1	0	356.535	4.588	1	0		FJAFRO
C[NH2+][C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1	ZINC000101509246	222278362	/nfs/dbraw/zinc/27/83/62/222278362.db2.gz	DYNODBXGYMORGO-HDJSIYSDSA-N	1	0	352.507	4.912	1	0		FJAFRO
C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(c2cccs2)C1C(=O)OC(C)C	ZINC000101637176	222279306	/nfs/dbraw/zinc/27/93/06/222279306.db2.gz	IPXBIJBWBKOEEQ-XMGGNUPJSA-N	1	0	363.479	4.726	1	0		FJAFRO
C[N@@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000000608026	219305852	/nfs/dbraw/zinc/30/58/52/219305852.db2.gz	FKFABDZLGKRECY-HXUWFJFHSA-N	1	0	351.490	4.625	1	0	in-man	FJAFRO
COc1ccc2c(C)cc(C)cc2c1-c1ccc2c(c1)[C@](C)(O)[NH2+][C@H](C)C2	ZINC000095486205	291084991	/nfs/dbraw/zinc/08/49/91/291084991.db2.gz	HMLSYQKZLKHYSQ-GYCJOSAFSA-N	1	0	361.485	4.831	1	0	biogenic,in-vitro	FJAFRO
C[C@H](c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000146104042	209381420	/nfs/dbraw/zinc/38/14/20/209381420.db2.gz	AGTHEFVFFLUTGJ-QGZVFWFLSA-N	1	0	364.533	4.877	1	0		FJAFRO
CN(C)c1cc2[nH+]c(C3CCCCC3)[nH]c2cc1NC(=O)c1cccs1	ZINC000103255800	209251292	/nfs/dbraw/zinc/25/12/92/209251292.db2.gz	WSDAIHXSQVCBTQ-UHFFFAOYSA-N	1	0	368.506	4.990	1	0		FJAFRO
Cc1ccc2c(c1)c(/C=C1/[C@H](O)C3CC[NH+]1CC3)cn2Cc1cccc(C)c1	ZINC000102429974	209236366	/nfs/dbraw/zinc/23/63/66/209236366.db2.gz	FHNBDDZCOVNESU-RVEICJNFSA-N	1	0	372.512	4.734	1	0		FJAFRO
Cn1cc(C(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)c2ccccc21	ZINC000013684985	220086103	/nfs/dbraw/zinc/08/61/03/220086103.db2.gz	CXDNKHGNUKSCRG-FQEVSTJZSA-N	1	0	370.880	4.682	1	0		FJAFRO
COc1ccc(NC(=O)O[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1	ZINC000013684763	220086401	/nfs/dbraw/zinc/08/64/01/220086401.db2.gz	JGEPIEFNRYBGEJ-GOSISDBHSA-N	1	0	362.857	4.590	1	0		FJAFRO
CO[C@@H]1C[C@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1[N@@H+]2C	ZINC000013643549	220080752	/nfs/dbraw/zinc/08/07/52/220080752.db2.gz	BLHLYSLDSMMWFB-BDHVOXNPSA-N	1	0	371.908	4.696	1	0		FJAFRO
CC(C)=CCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccccc1Cl	ZINC000013743300	220091764	/nfs/dbraw/zinc/09/17/64/220091764.db2.gz	JIEGOIANEFFTCT-FQEVSTJZSA-N	1	0	370.924	4.678	1	0		FJAFRO
Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2ccc(Cl)cc2)[N@@H+]3C)cc1	ZINC000013740258	220091901	/nfs/dbraw/zinc/09/19/01/220091901.db2.gz	ZVYVEQWQWNSQIJ-KCLUMXDGSA-N	1	0	369.892	4.820	1	0		FJAFRO
CCC[N@H+](CCc1cccs1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1	ZINC000013741761	220092571	/nfs/dbraw/zinc/09/25/71/220092571.db2.gz	NATZFOMSDOBVCC-SFHVURJKSA-N	1	0	366.530	4.854	1	0		FJAFRO
Cc1cccc(Cl)c1Nc1nc2ccc(N(C)C)cc2n2c[nH+]cc12	ZINC000013860316	220098661	/nfs/dbraw/zinc/09/86/61/220098661.db2.gz	UOEVKFRUNHRBHM-UHFFFAOYSA-N	1	0	351.841	4.654	1	0		FJAFRO
COc1cccc(-[n+]2c(-c3cccs3)cn3c2CCc2ccccc2-3)c1	ZINC000015953138	220173380	/nfs/dbraw/zinc/17/33/80/220173380.db2.gz	KGLIOXNBVPTMIW-UHFFFAOYSA-N	1	0	359.474	4.590	3	0		FJAFRO
CCCCN[C@H](c1cccc(O)c1)[C@@H]([NH2+]CCCC)c1cccc(O)c1	ZINC000027899183	207941593	/nfs/dbraw/zinc/94/15/93/207941593.db2.gz	NYFJJXRDCLDJDJ-SZPZYZBQSA-N	1	0	356.510	4.660	1	0		FJAFRO
CCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21	ZINC000028222329	207953289	/nfs/dbraw/zinc/95/32/89/207953289.db2.gz	NRNJWZLAKSNZKA-INIZCTEOSA-N	1	0	359.514	4.742	1	0		FJAFRO
Cc1nc2ccccn2c1-c1ccc2cc(CC[N@H+]3CCC[C@H]3C)ccc2n1	ZINC000034635191	208105432	/nfs/dbraw/zinc/10/54/32/208105432.db2.gz	KOLWUEPBLSFTTN-QGZVFWFLSA-N	1	0	370.500	4.885	1	0		FJAFRO
Cc1ccc([C@@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)cn1	ZINC000043077091	208300684	/nfs/dbraw/zinc/30/06/84/208300684.db2.gz	JAKBXJLCBFHUQX-SFHVURJKSA-N	1	0	351.277	4.817	1	0		FJAFRO
Nc1c2cc(NC(=O)CCCc3ccccc3)ccc2[nH+]c2c1CCCC2	ZINC000045335361	208330817	/nfs/dbraw/zinc/33/08/17/208330817.db2.gz	MUNUEDRMELBSIX-UHFFFAOYSA-N	1	0	359.473	4.657	1	0		FJAFRO
CCCC[NH+]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1	ZINC000045391115	208334167	/nfs/dbraw/zinc/33/41/67/208334167.db2.gz	JGRAVBMTGBCFBR-UHFFFAOYSA-N	1	0	368.912	4.893	1	0		FJAFRO
Fc1cccc(-c2ccc3c(c2)C[C@@H]([NH2+]Cc2c[nH]c4cnccc24)C3)c1	ZINC000045228675	208327114	/nfs/dbraw/zinc/32/71/14/208327114.db2.gz	YTMBKGYNJHYPDL-NRFANRHFSA-N	1	0	357.432	4.626	1	0		FJAFRO
c1ccc(OCC[NH2+]C[C@H]2CCC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000073279527	208878800	/nfs/dbraw/zinc/87/88/00/208878800.db2.gz	STDDNPFGFREFHT-XMMPIXPASA-N	1	0	373.496	4.778	1	0		FJAFRO
C[C@@H](C[N@@H+]1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1[C@H]2C)OCc1ccccc1	ZINC000058500474	221121081	/nfs/dbraw/zinc/12/10/81/221121081.db2.gz	CUHNXKIICYLWNY-SRWPTAKMSA-N	1	0	365.517	4.522	1	0		FJAFRO
Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)CC3)CC2)c1	ZINC000064559109	221148125	/nfs/dbraw/zinc/14/81/25/221148125.db2.gz	BOXHESMXGWQKOM-UHFFFAOYSA-N	1	0	362.517	4.513	1	0		FJAFRO
C[C@@H]1O[C@@H](OCCCc2c3ccccc3oc2-c2ccccc2)CC[C@@H]1[NH3+]	ZINC000066123252	221243220	/nfs/dbraw/zinc/24/32/20/221243220.db2.gz	JGLVDODUOBEEGX-XUEUYAKLSA-N	1	0	365.473	4.901	1	0		FJAFRO
c1ccc2c(c1)ncc1c2N(CC[NH+]2CCCCC2)c2cccnc2S1	ZINC000098082839	132231828	/nfs/dbraw/zinc/23/18/28/132231828.db2.gz	SOEWDSODMIPXKV-UHFFFAOYSA-N	1	0	362.502	4.718	1	0		FJAFRO
C[C@@H]1C[C@@H]2[C@H](C1)[C@@]2(c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1	ZINC000101511260	132234257	/nfs/dbraw/zinc/23/42/57/132234257.db2.gz	HHIGXPZDEMMQCT-WKJJFCIUSA-N	1	0	350.481	4.519	1	0		FJAFRO
CC(=O)C[C@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(Cl)cc1	ZINC000103176585	132236975	/nfs/dbraw/zinc/23/69/75/132236975.db2.gz	UEWXQPJOKRHBNJ-IBGZPJMESA-N	1	0	364.836	4.613	1	0		FJAFRO
CC(C)(C)OC(=O)Nc1ccc(CC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000098053118	222222803	/nfs/dbraw/zinc/22/28/03/222222803.db2.gz	JBBWXRZCIQADQF-UHFFFAOYSA-N	1	0	352.478	4.634	1	0		FJAFRO
CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@@H]([NH3+])C[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000263613847	529338117	/nfs/dbraw/zinc/33/81/17/529338117.db2.gz	ZSSPHCDGLYDLSV-DKGDVPFNSA-N	1	0	359.554	4.844	1	0		FJAFRO
CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@H]([NH3+])C[C@]4(C)[C@@H]3CC[C@]12C	ZINC000263613849	529338635	/nfs/dbraw/zinc/33/86/35/529338635.db2.gz	ZSSPHCDGLYDLSV-LSVOKTCQSA-N	1	0	359.554	4.844	1	0		FJAFRO
CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@H]([NH3+])C[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000263613848	210006849	/nfs/dbraw/zinc/00/68/49/210006849.db2.gz	ZSSPHCDGLYDLSV-HBHMPODDSA-N	1	0	359.554	4.844	1	0		FJAFRO
C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@@H](Cc5ccc(O)cc5)C4)(C[C@H]([NH3+])[C@@H]31)O2	ZINC000085543294	291085228	/nfs/dbraw/zinc/08/52/28/291085228.db2.gz	BZCXVPHXXDEZKB-LKHCFKMOSA-N	1	0	369.549	4.806	1	0	biogenic,in-vitro	FJAFRO
Cc1ccc([C@@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc1	ZINC000103268661	209251084	/nfs/dbraw/zinc/25/10/84/209251084.db2.gz	FNEQXOFFAYFDIL-HXUWFJFHSA-N	1	0	358.441	4.843	1	0		FJAFRO
CCC(=O)N(c1ccccc1)[C@H]1CCC[N@H+](CCc2cccs2)CC1	ZINC000103230038	209249936	/nfs/dbraw/zinc/24/99/36/209249936.db2.gz	JMBXBTYIZOYHHH-IBGZPJMESA-N	1	0	356.535	4.588	1	0		FJAFRO
c1[nH]c2ccccc2c1[C@@H]1CC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)CC1	ZINC000100788541	209218161	/nfs/dbraw/zinc/21/81/61/209218161.db2.gz	WYVYDCVFEZZZCK-BGYRXZFFSA-N	1	0	374.532	4.659	1	0		FJAFRO
c1ccc2c(c1)CN(C[C@H]1C[C@H]3c4ccccc4Cc4ccccc4N3O1)C2	ZINC000013437042	220067405	/nfs/dbraw/zinc/06/74/05/220067405.db2.gz	XKZZKFWMYWZWDI-RDGATRHJSA-N	1	0	368.480	4.858	1	0		FJAFRO
O=C1c2ccc(Cl)cc2CCC12CC[NH+](CCc1ccccc1)CC2	ZINC000013472081	220067945	/nfs/dbraw/zinc/06/79/45/220067945.db2.gz	IWOPGTFNUXEULQ-UHFFFAOYSA-N	1	0	353.893	4.794	1	0		FJAFRO
CC1(C)C[NH2+]Cc2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc21	ZINC000013475198	220069449	/nfs/dbraw/zinc/06/94/49/220069449.db2.gz	RWLRSQSRJNWRJK-UHFFFAOYSA-N	1	0	361.276	4.994	1	0		FJAFRO
C[C@@H](C[N@@H+]1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1	ZINC000013475605	220069860	/nfs/dbraw/zinc/06/98/60/220069860.db2.gz	LMKGEGFYXCALHV-YJGRUCBDSA-N	1	0	365.517	4.774	1	0		FJAFRO
Cc1c(F)c(Oc2cccc(F)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F	ZINC000013474025	220070156	/nfs/dbraw/zinc/07/01/56/220070156.db2.gz	WCTBUHGDESSWES-UHFFFAOYSA-N	1	0	373.334	4.676	1	0		FJAFRO
Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CCC1	ZINC000013560066	220073503	/nfs/dbraw/zinc/07/35/03/220073503.db2.gz	HEIQNYAVPBPIJD-DKZVUGQWSA-N	1	0	367.562	4.737	1	0	in-vivo	FJAFRO
Cc1cccc(Cl)c1C(=O)N[C@H](CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000013684738	220086042	/nfs/dbraw/zinc/08/60/42/220086042.db2.gz	AVFNQIJRKYRGOK-QGZVFWFLSA-N	1	0	365.304	4.725	1	0		FJAFRO
Cc1cc(C)c(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1C	ZINC000013684692	220085598	/nfs/dbraw/zinc/08/55/98/220085598.db2.gz	RIHQERSJRHVRIQ-FQEVSTJZSA-N	1	0	358.913	4.688	1	0		FJAFRO
O=C1c2cccc(F)c2CC[C@@H]1C1CC[NH+](CCc2ccccc2)CC1	ZINC000013734318	220090959	/nfs/dbraw/zinc/09/09/59/220090959.db2.gz	TYTUURCCMHKELI-LJQANCHMSA-N	1	0	351.465	4.526	1	0		FJAFRO
c1ccc(CC[NH+]2CCC3(CCc4c(-c5ccccc5)n[nH]c43)CC2)cc1	ZINC000013763874	220093223	/nfs/dbraw/zinc/09/32/23/220093223.db2.gz	VOWFPVSNWUSCMB-UHFFFAOYSA-N	1	0	357.501	4.599	1	0		FJAFRO
C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc([S@](C)=O)cc21	ZINC000013917418	220099034	/nfs/dbraw/zinc/09/90/34/220099034.db2.gz	KUDFJDYXEMEWNB-PUMRXTBWSA-N	1	0	368.329	4.917	1	0		FJAFRO
NC(=[NH2+])c1ccc2[nH]c(Cc3cccc(CCc4ccccc4)c3)cc2c1	ZINC000028763896	207974532	/nfs/dbraw/zinc/97/45/32/207974532.db2.gz	QLGWIXVKXLGMJW-UHFFFAOYSA-N	1	0	353.469	4.828	1	0		FJAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1	ZINC000035996501	208139290	/nfs/dbraw/zinc/13/92/90/208139290.db2.gz	PPMCUVCEZBSOGR-QGZVFWFLSA-N	1	0	368.484	4.872	1	0		FJAFRO
Clc1ccc([C@H](c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1	ZINC000035246369	208120988	/nfs/dbraw/zinc/12/09/88/208120988.db2.gz	DBNOSIUJVKLZRW-NRFANRHFSA-N	1	0	351.881	4.770	1	0		FJAFRO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2nnc(-c4ccccc4)o2)[N@@H+]3C)cc1	ZINC000036177156	208149135	/nfs/dbraw/zinc/14/91/35/208149135.db2.gz	MRDOIVGFARRMGI-MXEMCNAFSA-N	1	0	359.473	4.779	1	0		FJAFRO
CC[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccccc2Cl)CC1	ZINC000040800954	208270336	/nfs/dbraw/zinc/27/03/36/208270336.db2.gz	OBVKBRRTRUDWKS-UHFFFAOYSA-N	1	0	365.908	4.647	1	0		FJAFRO
Clc1ccc2[nH]c(-c3ccccc3OCC[NH+]3CCCCC3)nc2c1	ZINC000043079967	208299720	/nfs/dbraw/zinc/29/97/20/208299720.db2.gz	IDIIRZSOMQVODC-UHFFFAOYSA-N	1	0	355.869	4.748	1	0		FJAFRO
Fc1cccc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000020766609	220340179	/nfs/dbraw/zinc/34/01/79/220340179.db2.gz	BYZGCYHBCXWIAX-UHFFFAOYSA-N	1	0	358.460	4.713	1	0		FJAFRO
C1C2CC3CC1CC(C2)C3N1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000022782485	220399411	/nfs/dbraw/zinc/39/94/11/220399411.db2.gz	USLMSRRGTCBRDN-UHFFFAOYSA-N	1	0	368.609	4.644	1	0		FJAFRO
COc1ccc(C[C@H]2[NH2+]CCc3c4cc(C(C)C)ccc4[nH]c32)cc1OC	ZINC000026665778	220518730	/nfs/dbraw/zinc/51/87/30/220518730.db2.gz	ZLJVEUHUDWRXMP-HXUWFJFHSA-N	1	0	364.489	4.738	1	0		FJAFRO
Cc1c(C2CC[NH2+]CC2)ccnc1O[C@H](c1cccc(F)c1)C(F)(F)F	ZINC000040938895	220925298	/nfs/dbraw/zinc/92/52/98/220925298.db2.gz	TTZFFXORXRZDPG-QGZVFWFLSA-N	1	0	368.374	4.679	1	0		FJAFRO
CC(C)[N@@H+]1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1	ZINC000049088370	221018913	/nfs/dbraw/zinc/01/89/13/221018913.db2.gz	XVMSTDBLFRGHSD-GOSISDBHSA-N	1	0	351.469	4.812	1	0		FJAFRO
CN1OC[C@@H]2C[NH2+][C@H](c3cccc(-c4cc(Cl)cc(Cl)c4)c3)C[C@@H]21	ZINC000061942630	221138403	/nfs/dbraw/zinc/13/84/03/221138403.db2.gz	ZREUUERGZFECCT-SNRMKQJTSA-N	1	0	363.288	4.557	3	0		FJAFRO
CC(C)c1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](C)CC1)=N2	ZINC000101167560	222265082	/nfs/dbraw/zinc/26/50/82/222265082.db2.gz	GVJICTNRRRAALR-UHFFFAOYSA-N	1	0	359.517	4.727	1	0		FJAFRO
C[C@@H](c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000146103866	209381045	/nfs/dbraw/zinc/38/10/45/209381045.db2.gz	AGTHEFVFFLUTGJ-KRWDZBQOSA-N	1	0	364.533	4.877	1	0		FJAFRO
CC1(C)c2nnsc2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1	ZINC000103277126	209251120	/nfs/dbraw/zinc/25/11/20/209251120.db2.gz	QXMYGAOEVFPWOJ-NVXWUHKLSA-N	1	0	357.429	4.528	1	0		FJAFRO
CC(C)[C@H]1CC[C@@H]([NH+]2CCC(N3c4ccccc4[C@H](C)C3=O)CC2)CC1	ZINC000101680328	209229574	/nfs/dbraw/zinc/22/95/74/209229574.db2.gz	UDIDJCCXFVDPEB-FHWLQOOXSA-N	1	0	354.538	4.816	1	0		FJAFRO
Fc1ccc([C@H](Oc2ccc(C(F)(F)F)cc2)[C@H]2CCC[NH2+]C2)cc1	ZINC000013530727	220071881	/nfs/dbraw/zinc/07/18/81/220071881.db2.gz	GGOSQACPTXPREV-KSSFIOAISA-N	1	0	353.359	4.964	1	0		FJAFRO
Fc1ccc([C@H](Oc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[NH2+]C2)cc1	ZINC000013530721	220072240	/nfs/dbraw/zinc/07/22/40/220072240.db2.gz	GGOSQACPTXPREV-KDOFPFPSSA-N	1	0	353.359	4.964	1	0		FJAFRO
C[C@@H](C[N@@H+]1CC[C@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1	ZINC000013475608	220070064	/nfs/dbraw/zinc/07/00/64/220070064.db2.gz	LMKGEGFYXCALHV-OZWPHOJSSA-N	1	0	365.517	4.774	1	0		FJAFRO
CN1Cc2ccccc2[C@@](C)(c2ccccc2)[NH+]=C1C[C@@H](O)c1ccccc1	ZINC000013600311	220078253	/nfs/dbraw/zinc/07/82/53/220078253.db2.gz	IQMYQKPHIUDPJW-ILBGXUMGSA-N	1	0	370.496	4.918	1	0		FJAFRO
CO[C@@H]1C[C@H]2C[C@@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1[N@@H+]2C	ZINC000013643552	220080363	/nfs/dbraw/zinc/08/03/63/220080363.db2.gz	BLHLYSLDSMMWFB-QMCAAQAGSA-N	1	0	371.908	4.696	1	0		FJAFRO
OC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccn(-c3ccccc3)c2)CC1	ZINC000013744957	220091823	/nfs/dbraw/zinc/09/18/23/220091823.db2.gz	VDEUXXAFBFOEGY-UHFFFAOYSA-N	1	0	366.892	4.614	1	0		FJAFRO
CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1	ZINC000013741758	220092162	/nfs/dbraw/zinc/09/21/62/220092162.db2.gz	GVFSLSBQCUQRBA-OAQYLSRUSA-N	1	0	360.501	4.792	1	0		FJAFRO
Fc1ccc2c(c1)CCC1(CC[NH+]([C@H]3CCc4ccccc4C3)CC1)O2	ZINC000013472086	207461992	/nfs/dbraw/zinc/46/19/92/207461992.db2.gz	QFHXIJAGZCPYPV-NRFANRHFSA-N	1	0	351.465	4.543	1	0		FJAFRO
CC1(C)CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC[NH2+]1	ZINC000022938030	207828114	/nfs/dbraw/zinc/82/81/14/207828114.db2.gz	YBDPFVPDVAAUOC-ICSRJNTNSA-N	1	0	358.888	4.740	1	0		FJAFRO
C[NH2+]CC[C@@H](c1cccc(F)c1)N1c2ccccc2C2(CCCCC2)C1=O	ZINC000034986250	208117935	/nfs/dbraw/zinc/11/79/35/208117935.db2.gz	DWTJKIXZDHRVPT-FQEVSTJZSA-N	1	0	366.480	4.725	1	0		FJAFRO
CC(C)(C)CC[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	ZINC000040421755	208252340	/nfs/dbraw/zinc/25/23/40/208252340.db2.gz	OVPYRUXSNJNEFM-UHFFFAOYSA-N	1	0	371.352	4.871	1	0		FJAFRO
O=c1oc2ccccc2n1CC1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000040408043	208253312	/nfs/dbraw/zinc/25/33/12/208253312.db2.gz	VMQUOBMIHLXHRG-UHFFFAOYSA-N	1	0	372.468	4.660	1	0		FJAFRO
C[NH+](C)CC[C@H](O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000045302205	208328658	/nfs/dbraw/zinc/32/86/58/208328658.db2.gz	KWWVFVUAQBXNGB-SFHVURJKSA-N	1	0	350.289	4.738	1	0		FJAFRO
Fc1ccc([C@H]2[NH+]=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1	ZINC000045291000	208329226	/nfs/dbraw/zinc/32/92/26/208329226.db2.gz	NPAIUWCXVKERBJ-OAQYLSRUSA-N	1	0	361.464	4.669	1	0		FJAFRO
C[NH2+]CCNCc1ccc(-c2ccc(-c3nc4c(cccc4C)[nH]3)cc2)cc1	ZINC000045192328	208326528	/nfs/dbraw/zinc/32/65/28/208326528.db2.gz	WUXAQHIDFHUZGN-UHFFFAOYSA-N	1	0	370.500	4.514	1	0		FJAFRO
CCCCCC[C@]1(C)NC(=[NH2+])N=C(N)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000045209715	208326610	/nfs/dbraw/zinc/32/66/10/208326610.db2.gz	IWCHSUVCEDNRLB-YOEHRIQHSA-N	1	0	355.313	4.911	1	0		FJAFRO
C[N@@H+]1Cc2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2C(C)(C)C1	ZINC000045228888	208326814	/nfs/dbraw/zinc/32/68/14/208326814.db2.gz	FGGMVOKVRSOIMA-DHZHZOJOSA-N	1	0	354.881	4.715	1	0		FJAFRO
COc1ccc(C=Cc2cc(N)c3ccccc3[nH+]2)cc1Br	ZINC000045194269	208327210	/nfs/dbraw/zinc/32/72/10/208327210.db2.gz	MJCWABWVXSCOAC-SOFGYWHQSA-N	1	0	355.235	4.589	1	0		FJAFRO
C[NH+](C)CC[C@@]1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1	ZINC000053244188	208444713	/nfs/dbraw/zinc/44/47/13/208444713.db2.gz	PPNRLPHHDUNWIB-VWLOTQADSA-N	1	0	371.480	4.914	1	0		FJAFRO
Fc1cccc(C[n+]2ccc3c(c2)[nH]c2ccc(Br)cc23)c1	ZINC000045355450	220970596	/nfs/dbraw/zinc/97/05/96/220970596.db2.gz	VAAIIBFAUGAOSE-UHFFFAOYSA-O	1	0	356.218	4.559	1	0		FJAFRO
CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000053059660	221042054	/nfs/dbraw/zinc/04/20/54/221042054.db2.gz	GBUCMOFKIFALMI-BETUJISGSA-N	1	0	372.513	4.609	1	0		FJAFRO
Fc1ccc2c(c1)sc1nc(-c3ccccc3)c(C[NH+]3CCCC3)n21	ZINC000095555828	209078682	/nfs/dbraw/zinc/07/86/82/209078682.db2.gz	CJUHIFJEEFWCNO-UHFFFAOYSA-N	1	0	351.450	4.951	1	0		FJAFRO
CCc1cccc([C@@](SCC[NH3+])(c2ccccc2)c2cccc(O)c2)c1	ZINC000095584425	209082767	/nfs/dbraw/zinc/08/27/67/209082767.db2.gz	LKEJFEOGGYEWTI-QHCPKHFHSA-N	1	0	363.526	4.938	1	0		FJAFRO
c1[nH]c2ccccc2c1[C@@H]1ON=C(c2ccccc2)[C@@H]1C[NH+]1CCCCC1	ZINC000103288094	222332080	/nfs/dbraw/zinc/33/20/80/222332080.db2.gz	XOGORRVTFIQINH-REWPJTCUSA-N	1	0	359.473	4.746	1	0		FJAFRO
Cc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCC[NH2+]3)c3cc(F)ccc3n2)cc1	ZINC000169334814	222564193	/nfs/dbraw/zinc/56/41/93/222564193.db2.gz	JOQWCIZAXJWNHJ-MBSDFSHPSA-N	1	0	364.464	4.915	1	0		FJAFRO
c1coc(-c2ccc(Oc3ccc(OCC[NH+]4CCCC4)cc3)cc2)n1	ZINC000049872015	581092069	/nfs/dbraw/zinc/09/20/69/581092069.db2.gz	IMGGKNXDSXRLHK-UHFFFAOYSA-N	1	0	350.418	4.609	1	0		FJAFRO
Cc1ccc2c(c1)c(/C=C1/[C@@H](O)C3CC[NH+]1CC3)cn2Cc1cccc(C)c1	ZINC000102429978	209235693	/nfs/dbraw/zinc/23/56/93/209235693.db2.gz	FHNBDDZCOVNESU-KXERKJKRSA-N	1	0	372.512	4.734	1	0		FJAFRO
O[C@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccccc12	ZINC000101185017	209222402	/nfs/dbraw/zinc/22/24/02/209222402.db2.gz	AXPWNFAVTPIWHV-HATOLVCRSA-N	1	0	366.892	4.836	1	0		FJAFRO
O=C1C[C@H](c2ccccc2Cl)[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1	ZINC000096929566	209162927	/nfs/dbraw/zinc/16/29/27/209162927.db2.gz	QXQUNBGYCUXRRG-PWRODBHTSA-N	1	0	368.908	4.714	1	0		FJAFRO
CCC[NH+](CCC)[C@H]1COc2c(cccc2-c2c(OC)cccc2OC)C1	ZINC000013581265	220075606	/nfs/dbraw/zinc/07/56/06/220075606.db2.gz	DVEUPIAVYAIYIM-GOSISDBHSA-N	1	0	369.505	4.796	1	0		FJAFRO
Clc1ccc(OCc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1	ZINC000013780322	220094590	/nfs/dbraw/zinc/09/45/90/220094590.db2.gz	WIJROCGFVQGECR-UHFFFAOYSA-N	1	0	369.896	4.755	1	0		FJAFRO
C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000005573837	207106641	/nfs/dbraw/zinc/10/66/41/207106641.db2.gz	MLUKYQZFCRKVSG-QLOXRLCESA-N	1	0	356.293	4.670	3	0		FJAFRO
CC(C)=CCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1cccc(Cl)c1	ZINC000013743302	207484110	/nfs/dbraw/zinc/48/41/10/207484110.db2.gz	GDVFHFMHDFUEFD-FQEVSTJZSA-N	1	0	370.924	4.678	1	0		FJAFRO
COc1ccccc1-c1cc2cc(C)ccc2nc1SCC[NH+](C)C	ZINC000026380624	207914982	/nfs/dbraw/zinc/91/49/82/207914982.db2.gz	YSOVFTBZNQOARN-UHFFFAOYSA-N	1	0	352.503	4.873	1	0		FJAFRO
COc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)c(F)c1	ZINC000040972986	208278659	/nfs/dbraw/zinc/27/86/59/208278659.db2.gz	VMMQPLXBEYNKBU-OAOOKAIFSA-N	1	0	374.544	4.603	1	0		FJAFRO
O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040752791	208269353	/nfs/dbraw/zinc/26/93/53/208269353.db2.gz	ZYCCDGNCYIZABH-JOACEPGESA-N	1	0	361.529	4.953	1	0		FJAFRO
C[N@@H+]1CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1	ZINC000045319314	208328793	/nfs/dbraw/zinc/32/87/93/208328793.db2.gz	KXQOQYVYXBOPLS-UHFFFAOYSA-N	1	0	350.249	4.625	1	0		FJAFRO
Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1	ZINC000045301183	208329798	/nfs/dbraw/zinc/32/97/98/208329798.db2.gz	LLOBTJUATYGLGK-BEFAXECRSA-N	1	0	351.412	4.576	1	0		FJAFRO
C[N@@H+]1CCC[C@H]1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21	ZINC000045315322	208330599	/nfs/dbraw/zinc/33/05/99/208330599.db2.gz	LFTRETXSBJCGDP-INIZCTEOSA-N	1	0	352.522	4.991	1	0		FJAFRO
CC[C@@H](C)C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccs3)cc2)CC1	ZINC000045189211	208327028	/nfs/dbraw/zinc/32/70/28/208327028.db2.gz	SXKVYMFSOXTTJQ-QGZVFWFLSA-N	1	0	371.550	4.559	1	0		FJAFRO
CNC(=O)c1cccc2c1[C@@H]([NH2+]C)CC[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000028571361	220579762	/nfs/dbraw/zinc/57/97/62/220579762.db2.gz	TUDVVMCZTNBXMS-SJCJKPOMSA-N	1	0	363.288	4.539	1	0		FJAFRO
CC(C)(C)[C@H](Oc1cccc2[nH+]c(N)nc(N)c21)c1ccc(Cl)cc1	ZINC000028971989	220590357	/nfs/dbraw/zinc/59/03/57/220590357.db2.gz	MDGMYIGNKOEWMA-MRXNPFEDSA-N	1	0	356.857	4.614	1	0		FJAFRO
COc1ccc(Cn2c3ccccc3nc2[C@@H]2CCC[N@@H+](C(C)C)C2)cc1	ZINC000049072940	221018793	/nfs/dbraw/zinc/01/87/93/221018793.db2.gz	BUNJVHAEMQLYJI-LJQANCHMSA-N	1	0	363.505	4.681	1	0		FJAFRO
[NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccn2)n1	ZINC000061905705	221137278	/nfs/dbraw/zinc/13/72/78/221137278.db2.gz	RCUGVTFZYXHGFK-CYBMUJFWSA-N	1	0	364.396	4.543	3	0		FJAFRO
[NH3+][C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2)n1	ZINC000061903289	221135955	/nfs/dbraw/zinc/13/59/55/221135955.db2.gz	SHLFHGPJSLTUOV-OAHLLOKOSA-N	1	0	372.881	4.683	3	0		FJAFRO
CC[N@H+](Cc1ccccc1)C1CCC2(CC1)O[C@@H](OC)Cc1ccccc12	ZINC000071341189	221343864	/nfs/dbraw/zinc/34/38/64/221343864.db2.gz	ICNREZSCROYFDM-SHSGKGFPSA-N	1	0	365.517	4.892	1	0		FJAFRO
CC[N@H+](Cc1ccccc1)C1CCC2(CC1)O[C@H](OC)Cc1ccccc12	ZINC000071341190	221344138	/nfs/dbraw/zinc/34/41/38/221344138.db2.gz	ICNREZSCROYFDM-RZMWZJFBSA-N	1	0	365.517	4.892	1	0		FJAFRO
COc1cccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)c1	ZINC000096910222	132226238	/nfs/dbraw/zinc/22/62/38/132226238.db2.gz	WZFAVDDTRQICHQ-UHFFFAOYSA-N	1	0	358.485	4.684	1	0		FJAFRO
O=C(OCC[NH+]1CCCCC1)N1c2ccccc2Sc2ccccc21	ZINC000040934871	136120610	/nfs/dbraw/zinc/12/06/10/136120610.db2.gz	VXBXQJYNDYKUKJ-UHFFFAOYSA-N	1	0	354.475	4.912	1	0		FJAFRO
COc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1F	ZINC000095582567	209082662	/nfs/dbraw/zinc/08/26/62/209082662.db2.gz	LAPHIUZIUYQUJZ-UHFFFAOYSA-N	1	0	367.489	4.818	1	0		FJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2	ZINC000101152200	222263219	/nfs/dbraw/zinc/26/32/19/222263219.db2.gz	FMMKJMIJNXFPMS-BCDXTJNWSA-N	1	0	356.491	4.517	1	0		FJAFRO
O[C@@]1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc2ccccc12	ZINC000101185390	222265123	/nfs/dbraw/zinc/26/51/23/222265123.db2.gz	FSRGBFIJCFDRBB-NGRWLJPCSA-N	1	0	351.421	4.587	1	0		FJAFRO
O=C(CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1	ZINC000169332236	222562696	/nfs/dbraw/zinc/56/26/96/222562696.db2.gz	AFPXPRGYAOEEEP-UHFFFAOYSA-N	1	0	362.311	4.580	1	0		FJAFRO
COc1ccc2onc(CCC3CC[NH+](Cc4ccccc4)CC3)c2c1	ZINC000000605782	219305434	/nfs/dbraw/zinc/30/54/34/219305434.db2.gz	WLEKXXPTBPECMY-UHFFFAOYSA-N	1	0	350.462	4.681	1	0		FJAFRO
CC[NH+](CC)CCC(=O)N[C@@H]1c2ccc(Cl)cc2Oc2c(C)cccc21	ZINC000001635139	219413743	/nfs/dbraw/zinc/41/37/43/219413743.db2.gz	HDMNGWOXOWJJKZ-HXUWFJFHSA-N	1	0	372.896	4.692	1	0		FJAFRO
C[NH2+]C1(c2ccccc2)CCC2(CC1)OCCc1c3cc(F)ccc3[nH]c12	ZINC000003950149	219532145	/nfs/dbraw/zinc/53/21/45/219532145.db2.gz	AMXGKMSRYLZAEO-UHFFFAOYSA-N	1	0	364.464	4.764	1	0	in-man	FJAFRO
CC1(C)c2nnsc2[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1	ZINC000103277127	209251125	/nfs/dbraw/zinc/25/11/25/209251125.db2.gz	QXMYGAOEVFPWOJ-RDJZCZTQSA-N	1	0	357.429	4.528	1	0		FJAFRO
CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](C(C)C)CC1)=N2	ZINC000102091603	209232647	/nfs/dbraw/zinc/23/26/47/209232647.db2.gz	OXGFUMZROOXADD-UHFFFAOYSA-N	1	0	373.544	4.945	1	0		FJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2	ZINC000101152338	209222269	/nfs/dbraw/zinc/22/22/69/209222269.db2.gz	NNUZSHSDIMQZLW-SCAQPMJSSA-N	1	0	362.520	4.578	1	0		FJAFRO
CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000101060964	209220289	/nfs/dbraw/zinc/22/02/89/209220289.db2.gz	JSMMTOCSBNIMIR-AERCQKQUSA-N	1	0	356.460	4.611	1	0		FJAFRO
COc1ccc(/C=C2/c3ccccc3C(CC[NH+]3CCOCC3)=C2C)cc1	ZINC000100903074	209219028	/nfs/dbraw/zinc/21/90/28/209219028.db2.gz	RRIVHTQLWXZTQY-JJIBRWJFSA-N	1	0	361.485	4.745	1	0		FJAFRO
Cc1csc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1	ZINC000096940328	209164811	/nfs/dbraw/zinc/16/48/11/209164811.db2.gz	PRBMCNUQSIUDRH-OAQYLSRUSA-N	1	0	370.562	4.992	1	0		FJAFRO
CC(=O)c1ccc2c(c1)c1c(ccc3c1CCC3=O)n2CC[C@H]1CCC[N@H+]1C	ZINC000096935368	209162724	/nfs/dbraw/zinc/16/27/24/209162724.db2.gz	HCMMBTOYIMVPBJ-QGZVFWFLSA-N	1	0	374.484	4.610	1	0		FJAFRO
Fc1ccc(CC[NH+]2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1	ZINC000013472076	220068101	/nfs/dbraw/zinc/06/81/01/220068101.db2.gz	RJHAJYOHAGENKY-UHFFFAOYSA-N	1	0	361.407	4.506	1	0		FJAFRO
COc1ccc(OCC2=[NH+][C@@H](c3ccccc3)c3ccccc3CN2C)cc1	ZINC000013600233	220078460	/nfs/dbraw/zinc/07/84/60/220078460.db2.gz	LZJXEVKNPXCUIU-DEOSSOPVSA-N	1	0	372.468	4.708	1	0		FJAFRO
COc1cccc(NC(=O)O[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1	ZINC000013684815	220086132	/nfs/dbraw/zinc/08/61/32/220086132.db2.gz	DVOLCAAFHLSTNK-GOSISDBHSA-N	1	0	362.857	4.590	1	0		FJAFRO
CSc1cccc2c1CCC[C@@H]2C[N@H+](C)CCc1ccc2c(c1)OCO2	ZINC000013761403	220093574	/nfs/dbraw/zinc/09/35/74/220093574.db2.gz	YAXOAGCEKYYMDZ-QGZVFWFLSA-N	1	0	369.530	4.732	1	0		FJAFRO
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ncccc2c1	ZINC000013761450	220093765	/nfs/dbraw/zinc/09/37/65/220093765.db2.gz	FRLJZMNQTHYBIN-FQEVSTJZSA-N	1	0	360.501	4.838	1	0		FJAFRO
C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21	ZINC000013835649	220096866	/nfs/dbraw/zinc/09/68/66/220096866.db2.gz	NXXKPCNTNLASCC-MEDUHNTESA-N	1	0	352.261	4.807	1	0		FJAFRO
Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1	ZINC000004888002	207058531	/nfs/dbraw/zinc/05/85/31/207058531.db2.gz	QJBJGFACSBPWFU-NOTZXAQLSA-N	1	0	362.517	4.619	1	0		FJAFRO
O=C1Nc2cccc3c2[C@@]1(CCCCC[N@@H+]1CCc2ccccc2C1)CCC3	ZINC000013817854	207486748	/nfs/dbraw/zinc/48/67/48/207486748.db2.gz	UECFQSURZLIICR-RUZDIDTESA-N	1	0	374.528	4.832	1	0		FJAFRO
COc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(N)=[NH2+]	ZINC000013864743	207490891	/nfs/dbraw/zinc/49/08/91/207490891.db2.gz	FSCCYDSFQBJKGI-UHFFFAOYSA-N	1	0	357.413	4.500	1	0		FJAFRO
Oc1ccc(C[NH2+][C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1	ZINC000035821109	208137190	/nfs/dbraw/zinc/13/71/90/208137190.db2.gz	CFCFEXCFOQWYQK-ISKFKSNPSA-N	1	0	373.496	4.862	1	0		FJAFRO
CO[C@H]1Cc2sccc2C2(CC[NH+](CCCCc3ccccc3)CC2)O1	ZINC000040951251	208276063	/nfs/dbraw/zinc/27/60/63/208276063.db2.gz	ZPZLQTRNWNNBTL-OAQYLSRUSA-N	1	0	371.546	4.607	1	0		FJAFRO
O[C@H]1C[C@H](C[NH+]2CCC(c3ccccc3Cl)CC2)CCc2cccnc21	ZINC000040423085	208253371	/nfs/dbraw/zinc/25/33/71/208253371.db2.gz	LEEXRKTXTQAPQU-IERDGZPVSA-N	1	0	370.924	4.601	1	0		FJAFRO
CC[C@@]1(c2ccc(Br)cc2)C[N@H+](C)Cc2sc(C)cc21	ZINC000040632505	208260181	/nfs/dbraw/zinc/26/01/81/208260181.db2.gz	UOOCESXSMDYWAS-KRWDZBQOSA-N	1	0	350.325	4.961	1	0		FJAFRO
CC[C@]1(c2ccc(Br)cc2)C[N@H+](C)Cc2sc(C)cc21	ZINC000040632503	208260932	/nfs/dbraw/zinc/26/09/32/208260932.db2.gz	UOOCESXSMDYWAS-QGZVFWFLSA-N	1	0	350.325	4.961	1	0		FJAFRO
COc1cc(OC)c(-c2ccc(O)c3ccccc32)c2c1C[NH2+]C(C)(C)C2	ZINC000042887327	208297734	/nfs/dbraw/zinc/29/77/34/208297734.db2.gz	HINNHOVESZQNMS-UHFFFAOYSA-N	1	0	363.457	4.654	1	0		FJAFRO
Fc1ccc(C[n+]2ccc3c(c2)[nH]c2ccc(Br)cc23)cc1	ZINC000045354952	208332430	/nfs/dbraw/zinc/33/24/30/208332430.db2.gz	UNDDDMDTWXHWPE-UHFFFAOYSA-O	1	0	356.218	4.559	1	0		FJAFRO
CCCCCCN(CCCCCC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+]	ZINC000026967032	220525840	/nfs/dbraw/zinc/52/58/40/220525840.db2.gz	ZUIBNTGTAHQESF-JTHBVZDNSA-N	1	0	358.570	4.892	1	0		FJAFRO
N=C(Nc1ccc2ccn(CC[NH+]3CCCCC3)c2c1)c1cccs1	ZINC000034805727	220763636	/nfs/dbraw/zinc/76/36/36/220763636.db2.gz	FKCNYVLXQRSYPN-UHFFFAOYSA-N	1	0	352.507	4.626	1	0		FJAFRO
[NH3+][C@@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1	ZINC000053298299	221044889	/nfs/dbraw/zinc/04/48/89/221044889.db2.gz	CAZPUPYLGDBILQ-OAHLLOKOSA-N	1	0	373.378	4.920	1	0		FJAFRO
CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1	ZINC000066156353	221242743	/nfs/dbraw/zinc/24/27/43/221242743.db2.gz	NTUDVDVWUJGHJL-MRXNPFEDSA-N	1	0	357.325	4.624	1	0		FJAFRO
c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]([NH2+]Cc3ccccn3)CO2)cc1	ZINC000071317499	221341205	/nfs/dbraw/zinc/34/12/05/221341205.db2.gz	HBMSACOGKHEUHN-GOTSBHOMSA-N	1	0	358.485	4.551	1	0		FJAFRO
CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CC1	ZINC000071318441	221343041	/nfs/dbraw/zinc/34/30/41/221343041.db2.gz	NQUGQFFOHDQSRF-DKZVUGQWSA-N	1	0	367.562	4.806	1	0		FJAFRO
CO[C@H]1Cc2ccccc2C2(CCC([N@H+](C)Cc3ccccc3)CC2)O1	ZINC000071332447	221343744	/nfs/dbraw/zinc/34/37/44/221343744.db2.gz	AFKWCRVKGFPGQY-GTMAMOSYSA-N	1	0	351.490	4.502	1	0		FJAFRO
Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCCC1	ZINC000096938819	222143501	/nfs/dbraw/zinc/14/35/01/222143501.db2.gz	KARKKBOPJCCXQK-GHTZIAJQSA-N	1	0	369.553	4.577	1	0		FJAFRO
CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](CC)CC1)=N2	ZINC000100764016	222251706	/nfs/dbraw/zinc/25/17/06/222251706.db2.gz	AOCFSQZCKHYCDU-UHFFFAOYSA-N	1	0	373.544	4.946	1	0		FJAFRO
CCC[N@H+](CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1	ZINC000013471442	581094211	/nfs/dbraw/zinc/09/42/11/581094211.db2.gz	HQRKZFCEXOHQII-UHFFFAOYSA-N	1	0	353.506	4.516	1	0		FJAFRO
COc1cccc2c(CCC3CC[NH+](Cc4ccccc4)CC3)noc21	ZINC000000605783	219305499	/nfs/dbraw/zinc/30/54/99/219305499.db2.gz	LYTYXHJYOPFOCO-UHFFFAOYSA-N	1	0	350.462	4.681	1	0		FJAFRO
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)CCS2	ZINC000003794812	219525488	/nfs/dbraw/zinc/52/54/88/219525488.db2.gz	SQIVJTIOUMTFSA-IBGZPJMESA-N	1	0	367.558	4.938	1	0		FJAFRO
c1ccc(C[N@@H+]2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1	ZINC000143318713	209380037	/nfs/dbraw/zinc/38/00/37/209380037.db2.gz	WVIVDSQVVHCZNX-UHFFFAOYSA-N	1	0	366.468	4.932	1	0		FJAFRO
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2[nH+]1	ZINC000103236424	209249998	/nfs/dbraw/zinc/24/99/98/209249998.db2.gz	HOFPMWLVJOCYDY-UHFFFAOYSA-N	1	0	373.378	4.716	1	0		FJAFRO
Cc1cccc(-c2ccc([C@@H]3[C@@H]4CN(C(=O)C5CCCCC5)C[C@H]3[NH2+]4)cc2)c1	ZINC000100108536	209208612	/nfs/dbraw/zinc/20/86/12/209208612.db2.gz	BEAADIHJGAPFHC-UBRQYEGLSA-N	1	0	374.528	4.509	1	0		FJAFRO
O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](C2CCC2)CC1	ZINC000012715701	220020706	/nfs/dbraw/zinc/02/07/06/220020706.db2.gz	GECBTYGBJATYFD-UHFFFAOYSA-N	1	0	352.453	4.696	3	0		FJAFRO
CC[C@@H](C)[C@@H](C[NH+]1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000013446369	220068566	/nfs/dbraw/zinc/06/85/66/220068566.db2.gz	DLIKNFBWOSJTBG-RDTXWAMCSA-N	1	0	371.352	4.505	1	0		FJAFRO
COc1ccc(NC(=O)O[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1	ZINC000013684759	220085358	/nfs/dbraw/zinc/08/53/58/220085358.db2.gz	JGEPIEFNRYBGEJ-SFHVURJKSA-N	1	0	362.857	4.590	1	0		FJAFRO
CN(C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)[N@@H+]2C)c1ccccc1	ZINC000013740280	220091889	/nfs/dbraw/zinc/09/18/89/220091889.db2.gz	QBSLGQKCSOHHBR-BQJUDKOJSA-N	1	0	368.908	4.569	1	0		FJAFRO
CC(C)(C)c1cc(-c2nnc(SCC[NH3+])s2)cc(C(C)(C)C)c1O	ZINC000013796293	220094622	/nfs/dbraw/zinc/09/46/22/220094622.db2.gz	AKGGOFKXDGINAT-UHFFFAOYSA-N	1	0	365.568	4.557	1	0		FJAFRO
Clc1ccc(OCc2nc3ccccc3n2CC[C@@H]2CCC[NH2+]C2)cc1	ZINC000013780284	220094799	/nfs/dbraw/zinc/09/47/99/220094799.db2.gz	TUQGRYVTVRNIIC-INIZCTEOSA-N	1	0	369.896	4.658	1	0		FJAFRO
CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccc(OC)c3CC)c1)[N@@H+]2C	ZINC000013862679	220098673	/nfs/dbraw/zinc/09/86/73/220098673.db2.gz	AEOXYMZMDLKZPQ-VDEVERMRSA-N	1	0	365.517	4.956	1	0		FJAFRO
C[NH+](C)C[C@H]1CCCC[C@H]1[C@]1(O)c2ccsc2SCc2ccccc21	ZINC000013111043	207450575	/nfs/dbraw/zinc/45/05/75/207450575.db2.gz	YKADOOIFTVIBPM-QLVMHMETSA-N	1	0	373.587	4.958	1	0		FJAFRO
C[C@@H](C[N@@H+]1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1[C@@H]2C)OCc1ccccc1	ZINC000013475630	207463779	/nfs/dbraw/zinc/46/37/79/207463779.db2.gz	CUHNXKIICYLWNY-GASWSPIPSA-N	1	0	365.517	4.522	1	0		FJAFRO
CCCCCCN(CCCCCC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH3+]	ZINC000026967015	207923450	/nfs/dbraw/zinc/92/34/50/207923450.db2.gz	ZUIBNTGTAHQESF-FYYLOGMGSA-N	1	0	358.570	4.892	1	0		FJAFRO
Brc1ccc(/C=C\c2cc[n+](Cc3ccccc3)cc2)cc1	ZINC000033908838	208100024	/nfs/dbraw/zinc/10/00/24/208100024.db2.gz	YBSBRTBEDGFWLK-SREVYHEPSA-N	1	0	351.267	4.955	1	0		FJAFRO
Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2nnc(-c4ccccc4)o2)[N@@H+]3C)cc1	ZINC000036271690	208152345	/nfs/dbraw/zinc/15/23/45/208152345.db2.gz	MRDOIVGFARRMGI-CGXNFDGLSA-N	1	0	359.473	4.779	1	0		FJAFRO
Fc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1	ZINC000038289027	208202107	/nfs/dbraw/zinc/20/21/07/208202107.db2.gz	KQGGYEZSINLKFH-ZEQRLZLVSA-N	1	0	374.503	4.868	1	0		FJAFRO
Cc1ccnc([C@@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)c1	ZINC000043078117	208299927	/nfs/dbraw/zinc/29/99/27/208299927.db2.gz	PWCRFPCCCWITCB-SFHVURJKSA-N	1	0	351.277	4.817	1	0		FJAFRO
CCCCCCOc1ccc(C(=O)CC[NH+](C)C)c(Br)c1	ZINC000043024703	208300084	/nfs/dbraw/zinc/30/00/84/208300084.db2.gz	LZOVXMFTOXYNNG-UHFFFAOYSA-N	1	0	356.304	4.543	1	0		FJAFRO
Cc1ccc([C@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)cn1	ZINC000043077088	208300179	/nfs/dbraw/zinc/30/01/79/208300179.db2.gz	JAKBXJLCBFHUQX-GOSISDBHSA-N	1	0	351.277	4.817	1	0		FJAFRO
Fc1cccc(-c2ccc3c(c2)C[C@H]([NH2+]Cc2c[nH]c4cnccc24)C3)c1	ZINC000045228672	208327629	/nfs/dbraw/zinc/32/76/29/208327629.db2.gz	YTMBKGYNJHYPDL-OAQYLSRUSA-N	1	0	357.432	4.626	1	0		FJAFRO
CCCCCC[C@]1(C)NC(=[NH2+])N=C(N)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000045209706	220967055	/nfs/dbraw/zinc/96/70/55/220967055.db2.gz	IWCHSUVCEDNRLB-PBHICJAKSA-N	1	0	355.313	4.911	1	0		FJAFRO
[NH3+][C@H](Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1	ZINC000061928462	221137159	/nfs/dbraw/zinc/13/71/59/221137159.db2.gz	SFDXUDKASGPRNY-CYBMUJFWSA-N	1	0	364.396	4.543	3	0		FJAFRO
CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1	ZINC000066139243	221243277	/nfs/dbraw/zinc/24/32/77/221243277.db2.gz	LJUAIJJBBDXWLJ-CQSZACIVSA-N	1	0	357.325	4.624	1	0		FJAFRO
COc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)c(F)c1	ZINC000095584107	209082573	/nfs/dbraw/zinc/08/25/73/209082573.db2.gz	RZCHHVDFTCOSDU-UHFFFAOYSA-N	1	0	367.489	4.818	1	0		FJAFRO
COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1	ZINC000096880864	222136162	/nfs/dbraw/zinc/13/61/62/222136162.db2.gz	GAHXOAGMKXAKSA-MRXNPFEDSA-N	1	0	365.477	4.883	1	0		FJAFRO
COc1cc2c(c(OC)c1)[C@@H](Cc1ccc(-c3ccccc3)cc1)[NH2+]CC2	ZINC000103173749	222323177	/nfs/dbraw/zinc/32/31/77/222323177.db2.gz	AAWYNXATVJQBBM-JOCHJYFZSA-N	1	0	359.469	4.800	1	0		FJAFRO
CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](CC)CC1)=N2	ZINC000101761057	222282980	/nfs/dbraw/zinc/28/29/80/222282980.db2.gz	OODKZSFMFWCVQT-UHFFFAOYSA-N	1	0	359.517	4.556	1	0		FJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])CC4CCCCC4)c3)cc12	ZINC000014957872	581091600	/nfs/dbraw/zinc/09/16/00/581091600.db2.gz	NXCVSEMGRNAQQP-IBGZPJMESA-N	1	0	364.493	4.610	1	0		FJAFRO
CC(=O)OC1=C(c2cccc3ccccc32)Oc2ncccc2[N+]2=C1CC=C2	ZINC000101376427	209225540	/nfs/dbraw/zinc/22/55/40/209225540.db2.gz	SOAVQLQAAUVZRF-UHFFFAOYSA-N	1	0	369.400	4.562	1	0		FJAFRO
Cc1cccc(-c2ccc([C@H]3[C@@H]4CN(Cc5cccc(F)c5)C[C@H]3[NH2+]4)cc2)c1	ZINC000100107965	209209284	/nfs/dbraw/zinc/20/92/84/209209284.db2.gz	WHPSFYUBLFYTTM-QEIWAGNOSA-N	1	0	372.487	4.741	1	0		FJAFRO
O=C(Nc1cc2[nH]c(C3CCCCC3)[nH+]c2cc1N1CCCC1)C1CC1	ZINC000096928353	209162777	/nfs/dbraw/zinc/16/27/77/209162777.db2.gz	LFHASYXCOWGFRI-UHFFFAOYSA-N	1	0	352.482	4.559	1	0		FJAFRO
c1csc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1	ZINC000096940350	209164307	/nfs/dbraw/zinc/16/43/07/209164307.db2.gz	PJLIHYXPEOMIMJ-HXUWFJFHSA-N	1	0	356.535	4.684	1	0		FJAFRO
C[NH+](C)C[C@H]1CCCC[C@@H]1[C@]1(O)c2ccsc2SCc2ccccc21	ZINC000013111042	220057919	/nfs/dbraw/zinc/05/79/19/220057919.db2.gz	YKADOOIFTVIBPM-LDBYXDLTSA-N	1	0	373.587	4.958	1	0		FJAFRO
Cc1ccc(Nc2cccn([C@H](C[NH+]3CCCC3)c3ccccc3)c2=O)cc1	ZINC000013488454	220069787	/nfs/dbraw/zinc/06/97/87/220069787.db2.gz	JLCLSMWGDDQREJ-HSZRJFAPSA-N	1	0	373.500	4.586	1	0		FJAFRO
CN1Cc2ccccc2[C@@](C)(c2ccccc2)[NH+]=C1C[C@H](O)c1ccccc1	ZINC000013600315	220078141	/nfs/dbraw/zinc/07/81/41/220078141.db2.gz	IQMYQKPHIUDPJW-UKILVPOCSA-N	1	0	370.496	4.918	1	0		FJAFRO
Cn1c(C(=O)O[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc2ccccc21	ZINC000013684975	220085836	/nfs/dbraw/zinc/08/58/36/220085836.db2.gz	BMAXKTGAPQGADW-HXUWFJFHSA-N	1	0	370.880	4.682	1	0		FJAFRO
O[C@]1(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)C[NH+]2CCC1CC2	ZINC000013757092	220093050	/nfs/dbraw/zinc/09/30/50/220093050.db2.gz	NRFSHENQAHFSKL-VWLOTQADSA-N	1	0	355.481	4.934	1	0		FJAFRO
Clc1ccc(OCc2nc3ccccc3n2CC[C@@H]2CCCC[NH2+]2)cc1	ZINC000013780280	220094304	/nfs/dbraw/zinc/09/43/04/220094304.db2.gz	OJXMFPOBPZXOPS-KRWDZBQOSA-N	1	0	369.896	4.801	1	0		FJAFRO
CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000013803482	220095514	/nfs/dbraw/zinc/09/55/14/220095514.db2.gz	YUVBUYRBSQWACN-QFIPXVFZSA-N	1	0	350.506	4.744	1	0		FJAFRO
CC[NH+](CC)CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C	ZINC000028770241	207974571	/nfs/dbraw/zinc/97/45/71/207974571.db2.gz	VWUDFTACGOEWGV-KRWDZBQOSA-N	1	0	363.505	4.520	1	0		FJAFRO
Cc1c(C2CC[NH2+]CC2)ccnc1O[C@@H](c1cccc(F)c1)C(F)(F)F	ZINC000040938893	208276025	/nfs/dbraw/zinc/27/60/25/208276025.db2.gz	TTZFFXORXRZDPG-KRWDZBQOSA-N	1	0	368.374	4.679	1	0		FJAFRO
Clc1ccc(CN2CCC([NH2+]C34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000040394948	208251573	/nfs/dbraw/zinc/25/15/73/208251573.db2.gz	RFQWOEYYEIRCHO-UHFFFAOYSA-N	1	0	358.957	4.863	1	0		FJAFRO
CC[NH+]1CCN(C2=Nc3ccc(Cl)cc3CC=C2c2ccccc2)CC1	ZINC000040641012	208260675	/nfs/dbraw/zinc/26/06/75/208260675.db2.gz	DIYGMMSJHYNZKY-UHFFFAOYSA-N	1	0	365.908	4.647	1	0		FJAFRO
CC(C)(C)c1cc(C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(O)c(C(C)(C)C)c1	ZINC000045194330	208328421	/nfs/dbraw/zinc/32/84/21/208328421.db2.gz	GLNKYEQSHODVMY-UHFFFAOYSA-N	1	0	367.493	4.524	1	0		FJAFRO
Cc1cccc2c([C@@H](O)[C@@H]3CCCC[NH2+]3)cc(-c3ccc(F)cc3)nc12	ZINC000027523640	220536422	/nfs/dbraw/zinc/53/64/22/220536422.db2.gz	PAZWBPKSOQPBME-SIKLNZKXSA-N	1	0	350.437	4.525	1	0		FJAFRO
C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(-n3cncn3)cc21	ZINC000028571472	220579684	/nfs/dbraw/zinc/57/96/84/220579684.db2.gz	ZSNSOTIXFBSXLU-LIRRHRJNSA-N	1	0	373.287	4.760	1	0		FJAFRO
N=C(Nc1ccc2ccn(CCC[NH+]3CCCC3)c2c1)c1cccs1	ZINC000034806406	220764275	/nfs/dbraw/zinc/76/42/75/220764275.db2.gz	DDHBYBSCEWKJLW-UHFFFAOYSA-N	1	0	352.507	4.626	1	0		FJAFRO
COc1cccc([C@H]2CC[C@@H]([NH+]3CCN(c4ccccc4)CC3)CC2)c1	ZINC000101226018	132233831	/nfs/dbraw/zinc/23/38/31/132233831.db2.gz	XCLCSOAFYUDOLP-XYWHTSSQSA-N	1	0	350.506	4.544	1	0		FJAFRO
C[NH2+]CCC[C@H]1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000028528519	132918412	/nfs/dbraw/zinc/91/84/12/132918412.db2.gz	GTKJFGPZQFGMLW-HNNXBMFYSA-N	1	0	362.395	4.542	1	0		FJAFRO
Clc1ccc([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000072184605	136143768	/nfs/dbraw/zinc/14/37/68/136143768.db2.gz	NTKIYDPPTOXAHC-JOCHJYFZSA-N	1	0	363.892	4.647	1	0		FJAFRO
Cc1ccc(-c2nc(CN3CCN(c4cc(C)ccc4C)CC3)co2)cc1	ZINC000072185207	136143844	/nfs/dbraw/zinc/14/38/44/136143844.db2.gz	KAAMRBVEHVSZED-UHFFFAOYSA-N	1	0	361.489	4.589	1	0		FJAFRO
Clc1ccc(C[NH2+]CCCNc2nc3ccccc3o2)cc1Cl	ZINC000084596878	221723181	/nfs/dbraw/zinc/72/31/81/221723181.db2.gz	HUNAFVOHQZXCIW-UHFFFAOYSA-N	1	0	350.249	4.726	1	0		FJAFRO
Cc1ccc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)s1	ZINC000096940329	222145035	/nfs/dbraw/zinc/14/50/35/222145035.db2.gz	ZQWLJMFFLMCLNJ-OAQYLSRUSA-N	1	0	370.562	4.992	1	0		FJAFRO
c1cc(C[NH2+]CC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cs1	ZINC000096940351	222145166	/nfs/dbraw/zinc/14/51/66/222145166.db2.gz	JTXOJTRNUCFUMJ-HXUWFJFHSA-N	1	0	356.535	4.684	1	0		FJAFRO
Cc1cccc2c([C@H](O)C[C@@H]3CCCC[NH2+]3)cc(-c3ccc(F)cc3)nc12	ZINC000169333449	222562130	/nfs/dbraw/zinc/56/21/30/222562130.db2.gz	ICRCFOVMEGQGOD-PGRDOPGGSA-N	1	0	364.464	4.915	1	0		FJAFRO
O=C(CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1	ZINC000169330330	222563104	/nfs/dbraw/zinc/56/31/04/222563104.db2.gz	CTKJHZIGMVBKSX-UHFFFAOYSA-N	1	0	362.311	4.580	1	0		FJAFRO
Cc1[nH+]c2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1	ZINC000013864122	581091632	/nfs/dbraw/zinc/09/16/32/581091632.db2.gz	NCYVOMWFZQBIFF-UHFFFAOYSA-N	1	0	374.362	4.587	1	0		FJAFRO
COc1cccc(-c2csc(-c3cc(C(N)=[NH2+])sc3SC)n2)c1	ZINC000002007207	581096600	/nfs/dbraw/zinc/09/66/00/581096600.db2.gz	HFUGBKCICWUZIJ-UHFFFAOYSA-N	1	0	361.517	4.553	1	0		FJAFRO
[NH2+]=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1	ZINC000103259095	209250856	/nfs/dbraw/zinc/25/08/56/209250856.db2.gz	YLIFVXFYMMMGEW-UHFFFAOYSA-N	1	0	352.400	4.717	1	0		FJAFRO
Fc1cccc(F)c1[C@H]1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)CC1	ZINC000101768939	209230996	/nfs/dbraw/zinc/23/09/96/209230996.db2.gz	SYNAAQKVKRSFKL-UAPYVXQJSA-N	1	0	362.508	4.941	1	0		FJAFRO
CCC[NH+](CCC)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1	ZINC000096913290	209162111	/nfs/dbraw/zinc/16/21/11/209162111.db2.gz	BBDCSXDOCZFIBO-UHFFFAOYSA-N	1	0	350.915	4.837	1	0		FJAFRO
CC(C)Cn1c2ccccc2c2cc(NC(=O)CC[NH+]3CCCC3)ccc21	ZINC000013490273	220069289	/nfs/dbraw/zinc/06/92/89/220069289.db2.gz	TWGPOUODHSYXBJ-UHFFFAOYSA-N	1	0	363.505	4.875	1	0		FJAFRO
COc1ccccc1C1CC[NH+](C[C@H]2CCc3ccccc3C(=O)C2)CC1	ZINC000013488323	220070230	/nfs/dbraw/zinc/07/02/30/220070230.db2.gz	CDERSZAVJZTQTD-SFHVURJKSA-N	1	0	363.501	4.710	1	0		FJAFRO
CC[NH+](CC)CCCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1	ZINC000013553567	220073764	/nfs/dbraw/zinc/07/37/64/220073764.db2.gz	HVACNPZMKCTZCT-NRFANRHFSA-N	1	0	351.494	4.746	1	0		FJAFRO
CC(C)c1ccc(-c2c3c(nnc2N)c2ccccc2n3CC[NH+](C)C)cc1	ZINC000013580569	220075884	/nfs/dbraw/zinc/07/58/84/220075884.db2.gz	QXCFJVDWAKNVNJ-UHFFFAOYSA-N	1	0	373.504	4.519	1	0		FJAFRO
COc1ccc2c(c1)CC[C@H](CC[NH+]1CCC(c3ccccc3)CC1)C2=O	ZINC000013588376	220077665	/nfs/dbraw/zinc/07/76/65/220077665.db2.gz	HRMMILVLHGLQCI-HXUWFJFHSA-N	1	0	363.501	4.710	1	0		FJAFRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C1(c2ccccc2)CCCCC1	ZINC000013734059	220091295	/nfs/dbraw/zinc/09/12/95/220091295.db2.gz	QMNHUHKQSGXSPA-BGYRXZFFSA-N	1	0	356.554	4.658	1	0		FJAFRO
O=C1c2ccc(F)cc2CC[C@@H]1C1CC[NH+](CCc2ccccc2)CC1	ZINC000013734312	220091344	/nfs/dbraw/zinc/09/13/44/220091344.db2.gz	PFOHALKXQIXUFE-OAQYLSRUSA-N	1	0	351.465	4.526	1	0		FJAFRO
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccc(Cl)cc2)[N@@H+]3C)cc1	ZINC000036271732	208150870	/nfs/dbraw/zinc/15/08/70/208150870.db2.gz	ZVYVEQWQWNSQIJ-BVOGOJNSSA-N	1	0	369.892	4.820	1	0		FJAFRO
CO[C@@H]1Cc2sccc2C2(CC[NH+](CCCCc3ccccc3)CC2)O1	ZINC000040951248	208276985	/nfs/dbraw/zinc/27/69/85/208276985.db2.gz	ZPZLQTRNWNNBTL-NRFANRHFSA-N	1	0	371.546	4.607	1	0		FJAFRO
CCCCCC[C@@]1(C)NC(=[NH2+])N=C(N)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000045209711	208326506	/nfs/dbraw/zinc/32/65/06/208326506.db2.gz	IWCHSUVCEDNRLB-WMLDXEAASA-N	1	0	355.313	4.911	1	0		FJAFRO
C[NH+](C)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Cc2ccccc2C(=O)O1	ZINC000053246860	208443853	/nfs/dbraw/zinc/44/38/53/208443853.db2.gz	OOHAGGVXCUXHDP-VWLOTQADSA-N	1	0	371.480	4.914	1	0		FJAFRO
C[NH+](C)CC[C@]1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1	ZINC000053244186	221044763	/nfs/dbraw/zinc/04/47/63/221044763.db2.gz	PPNRLPHHDUNWIB-RUZDIDTESA-N	1	0	371.480	4.914	1	0		FJAFRO
C[NH+](C)CC[C@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1	ZINC000053246946	221045314	/nfs/dbraw/zinc/04/53/14/221045314.db2.gz	QBJYSKLVDCDUGF-LJQANCHMSA-N	1	0	364.272	4.554	1	0		FJAFRO
CC[NH+](CC)CCCOc1ccc2c3c1ccnc3-c1ccccc1C2=O	ZINC000071335225	221343829	/nfs/dbraw/zinc/34/38/29/221343829.db2.gz	ZDPSFZOJIPSGRF-UHFFFAOYSA-N	1	0	360.457	4.557	1	0		FJAFRO
c1ccc(CC[N@@H+]2CCN3C[C@H](c4ccccc4)c4ccccc4[C@@H]3C2)cc1	ZINC000096900945	222136803	/nfs/dbraw/zinc/13/68/03/222136803.db2.gz	ZTNUFLBDJULOLU-FTJBHMTQSA-N	1	0	368.524	4.734	1	0		FJAFRO
COc1cc2c(c(OC)c1)[C@H](Cc1ccc(-c3ccccc3)cc1)[NH2+]CC2	ZINC000103173747	222322967	/nfs/dbraw/zinc/32/29/67/222322967.db2.gz	AAWYNXATVJQBBM-QFIPXVFZSA-N	1	0	359.469	4.800	1	0		FJAFRO
c1[nH]c2ccccc2c1[C@H]1ON=C(c2ccccc2)[C@@H]1C[NH+]1CCCCC1	ZINC000103288089	222331957	/nfs/dbraw/zinc/33/19/57/222331957.db2.gz	XOGORRVTFIQINH-NZQKXSOJSA-N	1	0	359.473	4.746	1	0		FJAFRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000103283884	222332007	/nfs/dbraw/zinc/33/20/07/222332007.db2.gz	ZPIPOBYWEXESSF-MSEWRSJXSA-N	1	0	358.526	4.518	1	0		FJAFRO
C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(c2ccc(C)o2)C1C(=O)OC(C)C	ZINC000101962607	222287024	/nfs/dbraw/zinc/28/70/24/222287024.db2.gz	AWBDPDMZZWXRBX-BDBAMQCISA-N	1	0	361.438	4.566	1	0		FJAFRO
CC[NH+](CC)C[C@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc31)C2	ZINC000028873458	535599211	/nfs/dbraw/zinc/59/92/11/535599211.db2.gz	TXNFYPIAXHMYBE-QINHECLXSA-N	1	0	357.929	4.835	1	0		FJAFRO