smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=[N+]=CC(=O)CNC(=S)Nc1ccccc1	ZINC000096297839	181207603	/nfs/dbraw/zinc/20/76/03/181207603.db2.gz	PJVWIDIHXUGUPL-UHFFFAOYSA-O	1	0	235.292	0.852	10	10		BCCERO
CC(C)[C@H]([NH2+]Cc1ccccc1O)C(N)=O	ZINC000223956936	538594637	/nfs/dbraw/zinc/59/46/37/538594637.db2.gz	TWGPQMNODHTUAE-NSHDSACASA-N	1	0	222.288	0.992	10	10		BCCERO
COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N+]#N	ZINC000584606760	358266426	/nfs/dbraw/zinc/26/64/26/358266426.db2.gz	NRMULSJMFPZIST-SNVBAGLBSA-N	1	0	247.254	0.188	10	10		BCCERO
[NH3+]CC(=O)NCc1cc(Cl)ccc1O	ZINC000083348058	181354655	/nfs/dbraw/zinc/35/46/55/181354655.db2.gz	IMANJQYHIOFAKW-UHFFFAOYSA-N	1	0	214.652	0.621	10	10		BCCERO
Oc1ccc([C@H](O)C2=[NH+]CCN2)cc1O	ZINC000006092126	183278789	/nfs/dbraw/zinc/27/87/89/183278789.db2.gz	QXTDBFMUJTXKNQ-VIFPVBQESA-N	1	0	208.217	0.133	10	10		BCCERO
CCCNC(=O)C[NH2+]Cc1ccc(O)cc1O	ZINC000036780878	169228091	/nfs/dbraw/zinc/22/80/91/169228091.db2.gz	COTURZGMTCKZCD-UHFFFAOYSA-N	1	0	238.287	0.714	10	10		BCCERO
Oc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1O	ZINC000039096914	384102447	/nfs/dbraw/zinc/10/24/47/384102447.db2.gz	HMPMOARFRTVSLN-GZMMTYOYSA-N	1	0	209.245	0.883	10	10		BCCERO
C[NH2+][C@@H]1CCc2c(O)c(O)ccc2C1=O	ZINC000039096592	384103016	/nfs/dbraw/zinc/10/30/16/384103016.db2.gz	KVQODNTVZFTUMJ-MRVPVSSYSA-N	1	0	207.229	0.815	10	10		BCCERO
C[C@H]([NH3+])c1ccc(N2CCNC(=O)C2)c(F)c1	ZINC000019872624	132328564	/nfs/dbraw/zinc/32/85/64/132328564.db2.gz	NNLPJHPDVKMZRD-QMMMGPOBSA-N	1	0	237.278	0.782	10	10		BCCERO
C[C@H]([NH3+])c1ccc(N2CCNC(=O)C2)cc1	ZINC000019872632	132328587	/nfs/dbraw/zinc/32/85/87/132328587.db2.gz	XNMSAUNZFZNXJI-VIFPVBQESA-N	1	0	219.288	0.643	10	10		BCCERO
C[NH2+]Cc1ccc(N2CCS(=O)CC2)cc1	ZINC000049692195	132356221	/nfs/dbraw/zinc/35/62/21/132356221.db2.gz	RRWILLIDDUERHG-UHFFFAOYSA-N	1	0	238.356	0.975	10	10		BCCERO
CCNC(=O)C[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000036780438	170064577	/nfs/dbraw/zinc/06/45/77/170064577.db2.gz	USKALUZJQYZHLA-QMMMGPOBSA-N	1	0	238.287	0.885	10	10		BCCERO
CN(C)C(=O)C[NH2+]Cc1ccc(O)cc1O	ZINC000037225436	172369880	/nfs/dbraw/zinc/36/98/80/172369880.db2.gz	UMGDNETTWHDSJR-UHFFFAOYSA-N	1	0	224.260	0.276	10	10		BCCERO
CN1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1	ZINC000042546171	173124066	/nfs/dbraw/zinc/12/40/66/173124066.db2.gz	ROVOTNTZBQIHMJ-SNVBAGLBSA-N	1	0	222.288	0.892	10	10		BCCERO
CN1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544021	173124639	/nfs/dbraw/zinc/12/46/39/173124639.db2.gz	UTEXNEGEGXEYCY-SNVBAGLBSA-N	1	0	222.288	0.892	10	10		BCCERO
CN1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1	ZINC000042546168	173153442	/nfs/dbraw/zinc/15/34/42/173153442.db2.gz	ROVOTNTZBQIHMJ-JTQLQIEISA-N	1	0	222.288	0.892	10	10		BCCERO
CNC(=O)C[N@H+](C)Cc1ccc(N)cc1	ZINC000037115723	173269585	/nfs/dbraw/zinc/26/95/85/173269585.db2.gz	ABDMMHQWDQYLIB-UHFFFAOYSA-N	1	0	207.277	0.447	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])c(C)c1	ZINC000050582076	173272056	/nfs/dbraw/zinc/27/20/56/173272056.db2.gz	YDAXTMITLDPJQR-UHFFFAOYSA-N	1	0	221.304	0.636	10	10		BCCERO
CNC(=O)C[NH2+]Cc1cc(Cl)ccc1O	ZINC000037224804	173277641	/nfs/dbraw/zinc/27/76/41/173277641.db2.gz	QTUYNFWPBFXFST-UHFFFAOYSA-N	1	0	228.679	0.881	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1cccc(O)c1O	ZINC000042562193	173295300	/nfs/dbraw/zinc/29/53/00/173295300.db2.gz	UFJRDWTYNHAYEH-SSDOTTSWSA-N	1	0	224.260	0.322	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O	ZINC000042560453	173303694	/nfs/dbraw/zinc/30/36/94/173303694.db2.gz	YRTCIXDPWHGNHE-SFYZADRCSA-N	1	0	238.287	0.883	10	10		BCCERO
C[NH2+]C[C@H](OC(C)=O)c1ccc(O)c(O)c1	ZINC000039095979	173377629	/nfs/dbraw/zinc/37/76/29/173377629.db2.gz	BHFSCODWDJGHLV-NSHDSACASA-N	1	0	225.244	0.921	10	10		BCCERO
C[NH2+]C[C@H]1OCCc2cc(O)c(O)cc21	ZINC000039096946	173383300	/nfs/dbraw/zinc/38/33/00/173383300.db2.gz	MLHJHRSSWPEYJW-LLVKDONJSA-N	1	0	209.245	0.931	10	10		BCCERO
COC[C@@H](O)CN(C)c1ccc(C[NH3+])cc1C	ZINC000042482726	174491679	/nfs/dbraw/zinc/49/16/79/174491679.db2.gz	PFGMJSSFRRBOFS-LBPRGKRZSA-N	1	0	238.331	0.897	10	10		BCCERO
COc1ccc(N(C)C[C@@H](O)C[NH3+])c(OC)c1	ZINC000077386181	175135851	/nfs/dbraw/zinc/13/58/51/175135851.db2.gz	KYQPPALATJDPGE-VIFPVBQESA-N	1	0	240.303	0.460	10	10		BCCERO
COc1ccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)c(O)c1	ZINC000035792611	175177453	/nfs/dbraw/zinc/17/74/53/175177453.db2.gz	DMVSJRVAZSQBJZ-SFYZADRCSA-N	1	0	238.287	0.925	10	10		BCCERO
C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)C(N)=O	ZINC000050286501	176875123	/nfs/dbraw/zinc/87/51/23/176875123.db2.gz	YRMVDBROHROQOP-VIFPVBQESA-N	1	0	233.315	0.642	10	10		BCCERO
C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1O	ZINC000054075492	635344575	/nfs/dbraw/zinc/34/45/75/635344575.db2.gz	FHPHDWBOTZGUQY-SECBINFHSA-N	1	0	222.288	0.959	10	10		BCCERO
Nc1ccc(CC(=O)N2CCC[C@H]([NH3+])C2)cc1	ZINC000157841420	641623844	/nfs/dbraw/zinc/62/38/44/641623844.db2.gz	WEOVGZFUDWDXHV-LBPRGKRZSA-N	1	0	233.315	0.761	10	10		BCCERO
Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1O	ZINC000706720923	712153170	/nfs/dbraw/zinc/15/31/70/712153170.db2.gz	BZZWSXQSCZTJLJ-RYUDHWBXSA-N	1	0	237.299	0.940	10	10		BCCERO
Oc1ccc(F)cc1C[NH2+][C@H]1CCOC[C@H]1O	ZINC000706720979	712153315	/nfs/dbraw/zinc/15/33/15/712153315.db2.gz	FRGFZXDJMAVTKE-CMPLNLGQSA-N	1	0	241.262	0.771	10	10		BCCERO
O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000706726521	712153333	/nfs/dbraw/zinc/15/33/33/712153333.db2.gz	CGVYIMRJEYVOHB-QWHCGFSZSA-N	1	0	249.310	0.861	10	10		BCCERO
C[C@H]([NH3+])[C@H](O)c1ccc(O)c(O)c1F	ZINC000039096246	343382622	/nfs/dbraw/zinc/38/26/22/343382622.db2.gz	ZJWAKMGUZLRTNE-NVNXEXLPSA-N	1	0	201.197	0.618	10	10		BCCERO
C[C@@H]1COC[C@H]([C@@H]2CCCC(=O)C2=O)[NH2+]1	ZINC000124441048	537807755	/nfs/dbraw/zinc/80/77/55/537807755.db2.gz	LBSQUNMCDFPJPU-HRDYMLBCSA-N	1	0	211.261	0.302	10	10		BCCERO
CCCC[C@H](NC(=O)C[N+]#N)C(=O)OC	ZINC000033938771	345923512	/nfs/dbraw/zinc/92/35/12/345923512.db2.gz	FYWUDMKRXAJRTP-ZETCQYMHSA-O	1	0	214.245	0.144	10	10		BCCERO
Cc1ccc([C@@H](C)[NH2+]CC(N)=O)c(O)c1	ZINC000020083305	188351600	/nfs/dbraw/zinc/35/16/00/188351600.db2.gz	OBMHSLMASYJFJG-MRVPVSSYSA-N	1	0	208.261	0.837	10	10		BCCERO
O=C(NC1CC[NH2+]CC1)c1cccc(O)c1O	ZINC000072112923	182116006	/nfs/dbraw/zinc/11/60/06/182116006.db2.gz	DIFHWCKQWATHHM-UHFFFAOYSA-N	1	0	236.271	0.580	10	10		BCCERO
Oc1cc(CC2=[NH+]CCN2)cc(F)c1O	ZINC000040466769	183256981	/nfs/dbraw/zinc/25/69/81/183256981.db2.gz	WLFOSTFRKCEQJD-UHFFFAOYSA-N	1	0	210.208	0.781	10	10		BCCERO
CN1c2ccccc2C(=O)C(=[N+]=N)C1=O	ZINC000096715250	385040865	/nfs/dbraw/zinc/04/08/65/385040865.db2.gz	GCHYBQKAOCOTMR-UHFFFAOYSA-N	1	0	202.193	0.526	10	10		BCCERO
[NH3+][C@@H]1C(=O)Nc2cc(N3CCC(O)CC3)ccc21	ZINC000036194055	132340782	/nfs/dbraw/zinc/34/07/82/132340782.db2.gz	JSIPHVAGNCZABM-LBPRGKRZSA-N	1	0	247.298	0.600	10	10		BCCERO
C[NH2+][C@H]1Cc2cc(O)c(O)cc2N(C)C1=O	ZINC000039098492	132346347	/nfs/dbraw/zinc/34/63/47/132346347.db2.gz	IMYADYXMTGDERO-ZETCQYMHSA-N	1	0	222.244	0.205	10	10		BCCERO
CN(C)C(=O)CN(C)c1ccc(C[NH3+])cc1	ZINC000034653779	172364365	/nfs/dbraw/zinc/36/43/65/172364365.db2.gz	GZFWCGPSOSAWMZ-UHFFFAOYSA-N	1	0	221.304	0.670	10	10		BCCERO
C[N@@H+]1CC[C@H](NC(=O)COc2ccc(N)cc2)C1	ZINC000042543655	173149953	/nfs/dbraw/zinc/14/99/53/173149953.db2.gz	MBAHNNSHAVCCED-NSHDSACASA-N	1	0	249.314	0.468	10	10		BCCERO
CN1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544019	173151653	/nfs/dbraw/zinc/15/16/53/173151653.db2.gz	UTEXNEGEGXEYCY-JTQLQIEISA-N	1	0	222.288	0.892	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000042560450	173302894	/nfs/dbraw/zinc/30/28/94/173302894.db2.gz	YRTCIXDPWHGNHE-YUMQZZPRSA-N	1	0	238.287	0.883	10	10		BCCERO
COc1ccc(N(C)C[C@H](O)C[NH3+])cc1OC	ZINC000077386182	175136443	/nfs/dbraw/zinc/13/64/43/175136443.db2.gz	HPVRNLGKHZFBLS-SNVBAGLBSA-N	1	0	240.303	0.460	10	10		BCCERO
C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C(=O)N(C)C	ZINC000036794050	175898149	/nfs/dbraw/zinc/89/81/49/175898149.db2.gz	AZSDCFLWRHIQTO-MRVPVSSYSA-N	1	0	238.287	0.664	10	10		BCCERO
CN1CCCc2cc(C[NH2+]CC(N)=O)ccc21	ZINC000050285742	536396597	/nfs/dbraw/zinc/39/65/97/536396597.db2.gz	KGWKACBMPSXPIR-UHFFFAOYSA-N	1	0	233.315	0.644	10	10		BCCERO
Oc1ccc(F)cc1C[NH2+][C@H]1CCOC[C@@H]1O	ZINC000706720981	712153102	/nfs/dbraw/zinc/15/31/02/712153102.db2.gz	FRGFZXDJMAVTKE-JQWIXIFHSA-N	1	0	241.262	0.771	10	10		BCCERO
C[C@@H]1COC[C@@H]([C@@H]2CCCC(=O)C2=O)[NH2+]1	ZINC000124441513	537808736	/nfs/dbraw/zinc/80/87/36/537808736.db2.gz	LBSQUNMCDFPJPU-VGMNWLOBSA-N	1	0	211.261	0.302	10	10		BCCERO
C[NH2+]Cc1ccc(N(C)C[C@H](O)COC)cc1	ZINC000042511623	188294287	/nfs/dbraw/zinc/29/42/87/188294287.db2.gz	CYCJMIBYISMJTO-ZDUSSCGKSA-N	1	0	238.331	0.850	10	10		BCCERO
N=[N+]=CC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000095869816	181208327	/nfs/dbraw/zinc/20/83/27/181208327.db2.gz	PMPIEEKZIFZYFJ-UHFFFAOYSA-N	1	0	230.203	0.162	10	10		BCCERO
NC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1	ZINC000022212560	181217414	/nfs/dbraw/zinc/21/74/14/181217414.db2.gz	LVHRNLYLGLNXLJ-UHFFFAOYSA-N	1	0	233.315	0.966	10	10		BCCERO
Oc1ccc(CN2CC[NH2+]CC2)cc1O	ZINC000038086640	183269791	/nfs/dbraw/zinc/26/97/91/183269791.db2.gz	WYGXDCCXERJAES-UHFFFAOYSA-N	1	0	208.261	0.503	10	10		BCCERO
C[NH2+][C@H]1CCc2cc(O)c(O)cc2C1=O	ZINC000039096640	384104068	/nfs/dbraw/zinc/10/40/68/384104068.db2.gz	UPXUVWQMAPPLBL-QMMMGPOBSA-N	1	0	207.229	0.815	10	10		BCCERO
Cc1ccc(O)c(C[NH2+]C(CO)CO)c1	ZINC000083693177	384793961	/nfs/dbraw/zinc/79/39/61/384793961.db2.gz	PEGBIGKWNBAUDO-UHFFFAOYSA-N	1	0	211.261	0.143	10	10		BCCERO
CN(C)C1=[NH+]Cc2cc(O)c(O)cc2N1	ZINC000027753258	384910588	/nfs/dbraw/zinc/91/05/88/384910588.db2.gz	WNTWFIHSJGAPPZ-UHFFFAOYSA-N	1	0	207.233	0.941	10	10		BCCERO
COC(=O)C(=[N+]=N)S(=O)(=O)c1ccccc1	ZINC000575408793	387009350	/nfs/dbraw/zinc/00/93/50/387009350.db2.gz	ZXIUEVWCIBKDRZ-UHFFFAOYSA-N	1	0	241.248	0.271	10	10		BCCERO
[NH3+][C@H]1c2ccc(N3CCOCC3)cc2NC1=O	ZINC000036193535	132340771	/nfs/dbraw/zinc/34/07/71/132340771.db2.gz	UFVWRXTVFFTRHE-NSHDSACASA-N	1	0	233.271	0.475	10	10		BCCERO
C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3[NH3+])CCO1	ZINC000036193673	132340800	/nfs/dbraw/zinc/34/08/00/132340800.db2.gz	KIAKITZKEDKMOS-QPUJVOFHSA-N	1	0	247.298	0.864	10	10		BCCERO
[NH3+]Cc1ccc(N2CCS(=O)CC2)c(F)c1	ZINC000049691177	132356317	/nfs/dbraw/zinc/35/63/17/132356317.db2.gz	CKLJTOWXIRJSPW-UHFFFAOYSA-N	1	0	242.319	0.853	10	10		BCCERO
CC(C)NC(=O)C[NH2+]Cc1ccc(O)c(O)c1	ZINC000035136045	167058314	/nfs/dbraw/zinc/05/83/14/167058314.db2.gz	SQVHPPPINQRUFU-UHFFFAOYSA-N	1	0	238.287	0.712	10	10		BCCERO
CC(C)[NH2+]C[C@@H](O)COc1ccc(O)c(O)c1	ZINC000005962949	167110414	/nfs/dbraw/zinc/11/04/14/167110414.db2.gz	BTOQOGYPRARWDT-SECBINFHSA-N	1	0	241.287	0.836	10	10		BCCERO
CCNC(=O)C[N@H+](C)Cc1cc(N)ccc1O	ZINC000049725862	170055277	/nfs/dbraw/zinc/05/52/77/170055277.db2.gz	QNYWJSDBQCEPPD-UHFFFAOYSA-N	1	0	237.303	0.542	10	10		BCCERO
C[NH+]1CCN(c2cc3c(cc2N)OCCO3)CC1	ZINC000019868048	173095481	/nfs/dbraw/zinc/09/54/81/173095481.db2.gz	MOECWDSMFCWNON-UHFFFAOYSA-N	1	0	249.314	0.792	10	10		BCCERO
C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	ZINC000042543571	173122042	/nfs/dbraw/zinc/12/20/42/173122042.db2.gz	VUYZNNQKLYFJSF-GFCCVEGCSA-N	1	0	233.315	0.632	10	10		BCCERO
CN1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1	ZINC000042543967	173151968	/nfs/dbraw/zinc/15/19/68/173151968.db2.gz	PSRMTALXRARKIG-JTQLQIEISA-N	1	0	222.288	0.892	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])c(Cl)c1	ZINC000061845649	173272141	/nfs/dbraw/zinc/27/21/41/173272141.db2.gz	WZOYXNBLMSBYDR-UHFFFAOYSA-N	1	0	241.722	0.981	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1O	ZINC000070955348	173302777	/nfs/dbraw/zinc/30/27/77/173302777.db2.gz	QDZGKRKCTVIVCO-VIFPVBQESA-N	1	0	222.288	0.925	10	10		BCCERO
COC(C[NH2+]Cc1ccc(O)c(O)c1)OC	ZINC000037389070	173962734	/nfs/dbraw/zinc/96/27/34/173962734.db2.gz	ZIRYTNSYPBNKKD-UHFFFAOYSA-N	1	0	227.260	0.806	10	10		BCCERO
COC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1O	ZINC000083355275	174549603	/nfs/dbraw/zinc/54/96/03/174549603.db2.gz	KFOFLHWEEUDSAC-ZETCQYMHSA-N	1	0	227.260	0.928	10	10		BCCERO
COc1ccc(N(C)CC[C@@H]([NH3+])C(N)=O)cc1	ZINC000062528481	175136104	/nfs/dbraw/zinc/13/61/04/175136104.db2.gz	NQCVTBBVHNSVQF-LLVKDONJSA-N	1	0	237.303	0.334	10	10		BCCERO
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C	ZINC000110699406	176249170	/nfs/dbraw/zinc/24/91/70/176249170.db2.gz	UXMBSCOUWYRJCO-LLVKDONJSA-N	1	0	247.342	0.974	10	10		BCCERO
O=C(NCc1ccccc1O)NC1C[NH2+]C1	ZINC000258070075	631349516	/nfs/dbraw/zinc/34/95/16/631349516.db2.gz	IOLXIOHZSCBMOW-UHFFFAOYSA-N	1	0	221.260	0.163	10	10		BCCERO
O=C1NCCC[C@H]1[NH2+]Cc1ccccc1O	ZINC000050394114	643696276	/nfs/dbraw/zinc/69/62/76/643696276.db2.gz	QYIGAKROHLKANC-SNVBAGLBSA-N	1	0	220.272	0.760	10	10		BCCERO
COc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1O	ZINC000378666886	712357070	/nfs/dbraw/zinc/35/70/70/712357070.db2.gz	GZIGIWOPVVNJAO-VHSXEESVSA-N	1	0	223.272	0.871	10	10		BCCERO
NC(=O)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000716724172	712571316	/nfs/dbraw/zinc/57/13/16/712571316.db2.gz	SWENGDVTCQKYKN-UHFFFAOYSA-N	1	0	246.310	0.975	10	10		BCCERO
[NH3+][C@H]1CCCc2cc(O)c(O)cc2C1=O	ZINC000039100401	343383524	/nfs/dbraw/zinc/38/35/24/343383524.db2.gz	VEFUMHSCSGZUMW-QMMMGPOBSA-N	1	0	207.229	0.944	10	10		BCCERO
CC(C)([NH2+]Cc1ccccc1O)C(N)=O	ZINC000040674044	187284179	/nfs/dbraw/zinc/28/41/79/187284179.db2.gz	CPOXETZZJYMRJN-UHFFFAOYSA-N	1	0	208.261	0.746	10	10		BCCERO
CN(C)c1ccc([C@](C)([NH3+])C(N)=O)cc1	ZINC000037902601	350290468	/nfs/dbraw/zinc/29/04/68/350290468.db2.gz	IZSZOBXDIMTFIL-NSHDSACASA-N	1	0	207.277	0.412	10	10		BCCERO
CC(C)(CO)[NH2+]Cc1ccc(O)cc1O	ZINC000020196332	188352239	/nfs/dbraw/zinc/35/22/39/188352239.db2.gz	STVOPIFAQKFKJJ-UHFFFAOYSA-N	1	0	211.261	0.958	10	10		BCCERO
CCCn1ccnc1C1=C[C@@H](O)C[NH2+]C1	ZINC000675076539	538511569	/nfs/dbraw/zinc/51/15/69/538511569.db2.gz	CUOPPYQKPMIFQN-SNVBAGLBSA-N	1	0	207.277	0.641	10	10		BCCERO
CCCn1ccnc1C1=C[C@H](O)C[NH2+]C1	ZINC000675076538	538511753	/nfs/dbraw/zinc/51/17/53/538511753.db2.gz	CUOPPYQKPMIFQN-JTQLQIEISA-N	1	0	207.277	0.641	10	10		BCCERO
Oc1ccc(F)cc1C[NH2+]CCc1nnc[nH]1	ZINC000226620204	183275036	/nfs/dbraw/zinc/27/50/36/183275036.db2.gz	MLVNRZJVRVJWSU-UHFFFAOYSA-N	1	0	236.250	0.982	10	10		BCCERO
Oc1ccc([C@H](O)[C@H]2CCC[NH2+]2)cc1O	ZINC000039096916	183278220	/nfs/dbraw/zinc/27/82/20/183278220.db2.gz	HMPMOARFRTVSLN-KCJUWKMLSA-N	1	0	209.245	0.883	10	10		BCCERO
Oc1ccc([C@]2(O)CCC[NH2+]C2)cc1O	ZINC000011422309	183278458	/nfs/dbraw/zinc/27/84/58/183278458.db2.gz	REBGJGKBMBFBHE-NSHDSACASA-N	1	0	209.245	0.669	10	10	in-vivo	BCCERO
COc1ccc(N2CC[NH2+]CC2)c(O)c1	ZINC000082944856	384731803	/nfs/dbraw/zinc/73/18/03/384731803.db2.gz	ZUSJKBHXJDKZPH-UHFFFAOYSA-N	1	0	208.261	0.810	10	10		BCCERO
CNC(=O)C[NH2+]Cc1ccc2c(c1)CCCN2C	ZINC000050286448	132358889	/nfs/dbraw/zinc/35/88/89/132358889.db2.gz	NBOKPDQXZZEQSS-UHFFFAOYSA-N	1	0	247.342	0.905	10	10		BCCERO
CCNC(=O)C[NH2+][C@H](C)c1ccc(O)cc1O	ZINC000036780439	170065413	/nfs/dbraw/zinc/06/54/13/170065413.db2.gz	USKALUZJQYZHLA-MRVPVSSYSA-N	1	0	238.287	0.885	10	10		BCCERO
CC[NH2+]Cc1ccc(N(C)CC(N)=O)c(F)c1	ZINC000037268918	170126889	/nfs/dbraw/zinc/12/68/89/170126889.db2.gz	YFLXHHCYBRXMPF-UHFFFAOYSA-N	1	0	239.294	0.857	10	10		BCCERO
CC[NH2+][C@@H]1C(=O)Nc2cc(N(C)CCO)ccc21	ZINC000103054173	170150117	/nfs/dbraw/zinc/15/01/17/170150117.db2.gz	HGXMEUXIOLFBHX-LBPRGKRZSA-N	1	0	249.314	0.718	10	10		BCCERO
CN1CCc2cc([C@@H]([NH3+])C(N)=O)ccc21	ZINC000050287541	173171719	/nfs/dbraw/zinc/17/17/19/173171719.db2.gz	LGAOFAZKZUMKJW-SNVBAGLBSA-N	1	0	205.261	0.164	10	10		BCCERO
CNC(=O)[C@@H](C)N(C)c1ccc(C[NH3+])cc1	ZINC000034653844	173294292	/nfs/dbraw/zinc/29/42/92/173294292.db2.gz	WTEFRUDPXYOXDB-SECBINFHSA-N	1	0	221.304	0.716	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000042560318	173295276	/nfs/dbraw/zinc/29/52/76/173295276.db2.gz	HBQFBAADLBNWTH-JGVFFNPUSA-N	1	0	238.287	0.883	10	10		BCCERO
CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000042391274	173298597	/nfs/dbraw/zinc/29/85/97/173298597.db2.gz	CRZLWYABGLDVED-NSHDSACASA-N	1	0	249.314	0.685	10	10		BCCERO
CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000042391278	173307225	/nfs/dbraw/zinc/30/72/25/173307225.db2.gz	CRZLWYABGLDVED-LLVKDONJSA-N	1	0	249.314	0.685	10	10		BCCERO
C[NH2+]Cc1ccc(N2CC[C@@H](O)C2)cc1	ZINC000061711230	173389031	/nfs/dbraw/zinc/38/90/31/173389031.db2.gz	UHVLTAUTJQAUDP-GFCCVEGCSA-N	1	0	206.289	0.977	10	10		BCCERO
COCCN[C@@H](C[NH3+])c1ccc2c(c1)CCN2C	ZINC000053255732	174338275	/nfs/dbraw/zinc/33/82/75/174338275.db2.gz	OPSAFCSTDVKTHV-ZDUSSCGKSA-N	1	0	249.358	0.915	10	10		BCCERO
C[C@H]([NH2+]CC(N)=O)c1cc(O)ccc1O	ZINC000022145341	176834601	/nfs/dbraw/zinc/83/46/01/176834601.db2.gz	MPGJKGCXKZZSGM-LURJTMIESA-N	1	0	210.233	0.234	10	10		BCCERO
NC(=O)[C@H]1CCN1c1ccc(C[NH3+])cc1	ZINC000757153915	582539401	/nfs/dbraw/zinc/53/94/01/582539401.db2.gz	WIIMIXYPVALEBP-SNVBAGLBSA-N	1	0	205.261	0.209	10	10		BCCERO
Nc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1	ZINC000208833631	634601678	/nfs/dbraw/zinc/60/16/78/634601678.db2.gz	DJLNNONBNQLLFF-VIFPVBQESA-N	1	0	207.233	0.553	10	10		BCCERO
O=C(NCc1ccccc1O)[C@H]1CC[NH2+]C1	ZINC000162966120	635268217	/nfs/dbraw/zinc/26/82/17/635268217.db2.gz	KYBBFFIXNMZFQF-JTQLQIEISA-N	1	0	220.272	0.618	10	10		BCCERO
C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1O	ZINC000166200656	633108868	/nfs/dbraw/zinc/10/88/68/633108868.db2.gz	AAZZYHVNYNLADD-MWLCHTKSSA-N	1	0	234.299	0.864	10	10		BCCERO
C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	ZINC000062964153	641116724	/nfs/dbraw/zinc/11/67/24/641116724.db2.gz	ZVYAKQXMVMGMNW-CYBMUJFWSA-N	1	0	247.342	0.974	10	10		BCCERO
CN1C[C@H](C[NH2+]Cc2ccccc2O)CC1=O	ZINC000722746366	711470144	/nfs/dbraw/zinc/47/01/44/711470144.db2.gz	JEYXZPXIDAYPIJ-JTQLQIEISA-N	1	0	234.299	0.960	10	10		BCCERO
Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2O)c1	ZINC000706721554	712153230	/nfs/dbraw/zinc/15/32/30/712153230.db2.gz	MZHXUJKJXKSSIJ-AAEUAGOBSA-N	1	0	237.299	0.940	10	10		BCCERO
CC(C)N(CCO)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+]	ZINC000103416761	187291471	/nfs/dbraw/zinc/29/14/71/187291471.db2.gz	MQHYCTSQUPWVLF-GFCCVEGCSA-N	1	0	249.314	0.846	10	10		BCCERO
[NH3+][C@H](Cn1cccn1)c1ccc(O)c(O)c1	ZINC000011848822	345031488	/nfs/dbraw/zinc/03/14/88/345031488.db2.gz	BYUJTLAXRLVONZ-SECBINFHSA-N	1	0	219.244	0.994	10	10		BCCERO
Cc1cccc(C[NH2+]C[C@@H](O)CO)c1O	ZINC000083346535	179092144	/nfs/dbraw/zinc/09/21/44/179092144.db2.gz	WRXLKDZTOPSIIZ-SNVBAGLBSA-N	1	0	211.261	0.143	10	10		BCCERO
Nc1ccc(C[NH+]2CCOCC2)c(O)c1	ZINC000117777797	347194879	/nfs/dbraw/zinc/19/48/79/347194879.db2.gz	YKLTUHSLVJVJDK-UHFFFAOYSA-N	1	0	208.261	0.807	10	10		BCCERO
N=[N+]=CC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096361009	181208149	/nfs/dbraw/zinc/20/81/49/181208149.db2.gz	XDJCNTDGQPSTAJ-UHFFFAOYSA-O	1	0	249.206	0.204	10	10		BCCERO
NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000042403911	181267632	/nfs/dbraw/zinc/26/76/32/181267632.db2.gz	QFBAORQVNFOVFK-NSHDSACASA-N	1	0	249.314	0.814	10	10		BCCERO
CCCn1ccnc1C1=C[C@H]([NH3+])CNC1	ZINC000675078435	538515082	/nfs/dbraw/zinc/51/50/82/538515082.db2.gz	PMDODFLVTVHCBE-JTQLQIEISA-N	1	0	206.293	0.607	10	10		BCCERO
[NH3+][C@@H]1CCCc2cc(O)c(O)cc2[C@@H]1O	ZINC000005784220	181585662	/nfs/dbraw/zinc/58/56/62/181585662.db2.gz	CXOMNHDKNWKHID-KCJUWKMLSA-N	1	0	209.245	0.795	10	10		BCCERO
Oc1ccc(CN2CC[NH2+]CC2)c(O)c1	ZINC000038086587	183269476	/nfs/dbraw/zinc/26/94/76/183269476.db2.gz	JWKCUZHUSIXFFB-UHFFFAOYSA-N	1	0	208.261	0.503	10	10		BCCERO
Oc1ccc(C[NH2+][C@H]2CCOC2)cc1O	ZINC000076642176	183271015	/nfs/dbraw/zinc/27/10/15/183271015.db2.gz	XAJHPRKGDYCMLQ-VIFPVBQESA-N	1	0	209.245	0.976	10	10		BCCERO
Oc1ccc([C@H](O)C[NH2+]C[C@@H]2CO2)cc1O	ZINC000039096014	183278216	/nfs/dbraw/zinc/27/82/16/183278216.db2.gz	AFFQONGPKISBCD-LDYMZIIASA-N	1	0	225.244	0.120	10	10		BCCERO
Oc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1O	ZINC000039096912	183278321	/nfs/dbraw/zinc/27/83/21/183278321.db2.gz	HMPMOARFRTVSLN-KWQFWETISA-N	1	0	209.245	0.883	10	10		BCCERO
CC(C)[NH2+][C@@H](C(N)=O)c1ccc(O)c(O)c1	ZINC000037943541	167129948	/nfs/dbraw/zinc/12/99/48/167129948.db2.gz	HZQVPLUXLODGSP-SNVBAGLBSA-N	1	0	224.260	0.622	10	10		BCCERO
C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1	ZINC000042543569	173150102	/nfs/dbraw/zinc/15/01/02/173150102.db2.gz	VUYZNNQKLYFJSF-LBPRGKRZSA-N	1	0	233.315	0.632	10	10		BCCERO
CNC(=O)C[NH2+][C@H](C)c1cc(O)ccc1O	ZINC000087728077	173277886	/nfs/dbraw/zinc/27/78/86/173277886.db2.gz	SCDQNFVJEIYJFA-SSDOTTSWSA-N	1	0	224.260	0.494	10	10		BCCERO
CNC(=O)[C@H](C)N(C)c1ccc(C[NH3+])cc1	ZINC000034653842	173301854	/nfs/dbraw/zinc/30/18/54/173301854.db2.gz	WTEFRUDPXYOXDB-VIFPVBQESA-N	1	0	221.304	0.716	10	10		BCCERO
COC[C@H](O)CN(C)c1ccc(C[NH3+])cc1C	ZINC000042482728	174591238	/nfs/dbraw/zinc/59/12/38/174591238.db2.gz	PFGMJSSFRRBOFS-GFCCVEGCSA-N	1	0	238.331	0.897	10	10		BCCERO
COc1ccc(C[NH2+]CCCO)c(O)c1	ZINC000040906005	175107004	/nfs/dbraw/zinc/10/70/04/175107004.db2.gz	WFZIAQKNHCQVIV-UHFFFAOYSA-N	1	0	211.261	0.873	10	10		BCCERO
COc1ccc(C[NH2+][C@@H](C)CO)c(O)c1	ZINC000040906138	175109492	/nfs/dbraw/zinc/10/94/92/175109492.db2.gz	YBKDMWLKYPIYCN-QMMMGPOBSA-N	1	0	211.261	0.871	10	10		BCCERO
COc1ccc([C@H](C)[NH2+][C@@H](C)C(N)=O)c(O)c1	ZINC000035792608	175189255	/nfs/dbraw/zinc/18/92/55/175189255.db2.gz	DMVSJRVAZSQBJZ-YUMQZZPRSA-N	1	0	238.287	0.925	10	10		BCCERO
C[C@@H](c1ccccc1O)N(C)C(=O)C[NH3+]	ZINC000037826491	176024687	/nfs/dbraw/zinc/02/46/87/176024687.db2.gz	BBTQTWCUYGUOAY-QMMMGPOBSA-N	1	0	208.261	0.870	10	10		BCCERO
CN1CCCc2cc([C@@H]([NH3+])C(N)=O)ccc21	ZINC000050287546	536397132	/nfs/dbraw/zinc/39/71/32/536397132.db2.gz	WMSIOEUCYWWDNJ-LLVKDONJSA-N	1	0	219.288	0.554	10	10		BCCERO
NC(=O)C1CC([NH2+]Cc2ccccc2O)C1	ZINC000716754664	712572260	/nfs/dbraw/zinc/57/22/60/712572260.db2.gz	JFYPSFOAOKZIKA-UHFFFAOYSA-N	1	0	220.272	0.746	10	10		BCCERO
O[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000706726518	712153138	/nfs/dbraw/zinc/15/31/38/712153138.db2.gz	CGVYIMRJEYVOHB-OLZOCXBDSA-N	1	0	249.310	0.861	10	10		BCCERO
[NH3+][C@@H]1CCCc2cc(O)c(O)cc2C1=O	ZINC000039100400	343383591	/nfs/dbraw/zinc/38/35/91/343383591.db2.gz	VEFUMHSCSGZUMW-MRVPVSSYSA-N	1	0	207.229	0.944	10	10		BCCERO
[NH3+][C@@H](Cn1cccn1)c1ccc(O)c(O)c1	ZINC000011848821	345031135	/nfs/dbraw/zinc/03/11/35/345031135.db2.gz	BYUJTLAXRLVONZ-VIFPVBQESA-N	1	0	219.244	0.994	10	10		BCCERO
C[NH+](C)CC(=O)NCc1ccc(N)cc1	ZINC000159725780	350985998	/nfs/dbraw/zinc/98/59/98/350985998.db2.gz	PWIXUFUPPPSBEL-UHFFFAOYSA-N	1	0	207.277	0.447	10	10		BCCERO
COC(=O)[C@H]1CC[C@@H](C(=O)C[N+]#N)CC1	ZINC000584607075	358267266	/nfs/dbraw/zinc/26/72/66/358267266.db2.gz	XTDXIAHHPPZGEZ-OCAPTIKFSA-N	1	0	210.233	0.836	10	10		BCCERO
COc1ccc(OC(=O)C[N+]#N)c(OC)c1	ZINC000584623050	358290651	/nfs/dbraw/zinc/29/06/51/358290651.db2.gz	BYKKBUOEGQLRPN-UHFFFAOYSA-N	1	0	222.200	0.910	10	10		BCCERO
[NH3+]C[C@H](O)c1cc(O)c(O)cc1Cl	ZINC000006091106	181451117	/nfs/dbraw/zinc/45/11/17/181451117.db2.gz	BFLJQMNDLRDYQK-QMMMGPOBSA-N	1	0	203.625	0.743	10	10		BCCERO
[NH3+][C@@H]1CCN(c2ccc3c(c2)OCO3)C1	ZINC000033426895	181589942	/nfs/dbraw/zinc/58/99/42/181589942.db2.gz	YIFIDPSNALVQGT-MRVPVSSYSA-N	1	0	206.245	0.953	10	10		BCCERO
[NH3+][C@H]1CCN(c2ccc3c(c2)OCO3)C1	ZINC000033426896	181651491	/nfs/dbraw/zinc/65/14/91/181651491.db2.gz	YIFIDPSNALVQGT-QMMMGPOBSA-N	1	0	206.245	0.953	10	10		BCCERO
Oc1cc(F)c(CC2=[NH+]CCN2)cc1O	ZINC000040465826	183259066	/nfs/dbraw/zinc/25/90/66/183259066.db2.gz	PPPBZEXMVSHNPG-UHFFFAOYSA-N	1	0	210.208	0.781	10	10		BCCERO
Oc1ccccc1C[NH2+]CCc1nnc[nH]1	ZINC000070646033	183303015	/nfs/dbraw/zinc/30/30/15/183303015.db2.gz	AKYVQXTZYBQKIL-UHFFFAOYSA-N	1	0	218.260	0.843	10	10		BCCERO
C[NH2+][C@@H]1CCc2cc(O)c(O)cc2C1=O	ZINC000039096639	384104042	/nfs/dbraw/zinc/10/40/42/384104042.db2.gz	UPXUVWQMAPPLBL-MRVPVSSYSA-N	1	0	207.229	0.815	10	10		BCCERO
[NH3+]C[C@@H](O)c1cc(O)c(O)cc1Cl	ZINC000039096343	384104453	/nfs/dbraw/zinc/10/44/53/384104453.db2.gz	BFLJQMNDLRDYQK-MRVPVSSYSA-N	1	0	203.625	0.743	10	10		BCCERO
C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(N)=O	ZINC000035650797	132338821	/nfs/dbraw/zinc/33/88/21/132338821.db2.gz	BCMKULGIQTYZNF-SNVBAGLBSA-N	1	0	249.314	0.349	10	10		BCCERO
C[C@H]1COCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+]	ZINC000036194809	132340689	/nfs/dbraw/zinc/34/06/89/132340689.db2.gz	NTRGJAYORDOVDZ-QPUJVOFHSA-N	1	0	247.298	0.864	10	10		BCCERO
[NH3+]Cc1ccc(N2CCS(=O)CC2)cc1	ZINC000049691185	132356302	/nfs/dbraw/zinc/35/63/02/132356302.db2.gz	YIXBHZRDYJZMBI-UHFFFAOYSA-N	1	0	224.329	0.714	10	10		BCCERO
CC(C)NC(=O)C[NH2+]Cc1ccc(O)cc1O	ZINC000036781535	167059072	/nfs/dbraw/zinc/05/90/72/167059072.db2.gz	SIDVROZMCAWBRX-UHFFFAOYSA-N	1	0	238.287	0.712	10	10		BCCERO
CCNC(=O)[C@H](C)[NH2+]Cc1ccc(O)cc1O	ZINC000036794845	170094646	/nfs/dbraw/zinc/09/46/46/170094646.db2.gz	UBOHKRMVXLENCZ-QMMMGPOBSA-N	1	0	238.287	0.712	10	10		BCCERO
CN(C)C(=O)CC[NH2+]Cc1ccc(O)cc1O	ZINC000037751487	172360274	/nfs/dbraw/zinc/36/02/74/172360274.db2.gz	LIPCQFHVELBWPO-UHFFFAOYSA-N	1	0	238.287	0.666	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])cc1C	ZINC000037733210	173272592	/nfs/dbraw/zinc/27/25/92/173272592.db2.gz	HXPIMVRJDKQMKJ-UHFFFAOYSA-N	1	0	221.304	0.636	10	10		BCCERO
CNC(=O)C[N@H+](Cc1ccc(N)cc1)C1CC1	ZINC000035365981	173273329	/nfs/dbraw/zinc/27/33/29/173273329.db2.gz	CUGRHTVTOMLLAZ-UHFFFAOYSA-N	1	0	233.315	0.979	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O	ZINC000042561029	173294935	/nfs/dbraw/zinc/29/49/35/173294935.db2.gz	DZEZFNZQMXWRNC-MRVPVSSYSA-N	1	0	238.287	0.625	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2C	ZINC000050286832	173295410	/nfs/dbraw/zinc/29/54/10/173295410.db2.gz	MBFXHWWFTJKCGH-SNVBAGLBSA-N	1	0	247.342	0.903	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2C	ZINC000050286831	173302951	/nfs/dbraw/zinc/30/29/51/173302951.db2.gz	MBFXHWWFTJKCGH-JTQLQIEISA-N	1	0	247.342	0.903	10	10		BCCERO
COc1ccc(F)c([C@H]([NH3+])CO)c1O	ZINC000072197896	175126832	/nfs/dbraw/zinc/12/68/32/175126832.db2.gz	LUBXBJGEJAZBEI-ZCFIWIBFSA-N	1	0	201.197	0.532	10	10		BCCERO
O=C1NCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000769851851	585565141	/nfs/dbraw/zinc/56/51/41/585565141.db2.gz	OQRWCKGZAAZCRG-LLVKDONJSA-N	1	0	232.283	0.600	10	10		BCCERO
Oc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1O	ZINC000706791643	712155994	/nfs/dbraw/zinc/15/59/94/712155994.db2.gz	VAAINFVVPIBGSM-PWSUYJOCSA-N	1	0	223.272	0.632	10	10		BCCERO
CC(C)[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C(N)=O	ZINC000231040236	538952189	/nfs/dbraw/zinc/95/21/89/538952189.db2.gz	LGYANTNMVXSWBT-LLVKDONJSA-N	1	0	238.287	0.697	10	10		BCCERO
CC(=O)NCC[NH2+]Cc1c(O)cccc1O	ZINC000039098803	187263679	/nfs/dbraw/zinc/26/36/79/187263679.db2.gz	GBHIDJIAJHBXJU-UHFFFAOYSA-N	1	0	224.260	0.324	10	10		BCCERO
COc1ccc(N2CC[NH2+]CC2)cc1CO	ZINC000167486591	346709795	/nfs/dbraw/zinc/70/97/95/346709795.db2.gz	WPNDCVFUXXUMTD-UHFFFAOYSA-N	1	0	222.288	0.597	10	10		BCCERO
CC(C)[C@@H]([NH2+]Cc1ccccc1O)C(N)=O	ZINC000223956890	538593255	/nfs/dbraw/zinc/59/32/55/538593255.db2.gz	TWGPQMNODHTUAE-LLVKDONJSA-N	1	0	222.288	0.992	10	10		BCCERO
Oc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1O	ZINC000037998114	183270719	/nfs/dbraw/zinc/27/07/19/183270719.db2.gz	WICYQNFTVXMGFL-SNVBAGLBSA-N	1	0	239.271	0.603	10	10		BCCERO
Oc1ccc(C[NH2+]C[C@H]2COCCO2)c(O)c1	ZINC000038060533	183270769	/nfs/dbraw/zinc/27/07/69/183270769.db2.gz	VXPFEJOTPRBPRC-NSHDSACASA-N	1	0	239.271	0.603	10	10		BCCERO
Oc1ccc([C@@]2(O)CCC[NH2+]C2)cc1O	ZINC000011422310	183278366	/nfs/dbraw/zinc/27/83/66/183278366.db2.gz	REBGJGKBMBFBHE-LLVKDONJSA-N	1	0	209.245	0.669	10	10	in-vivo	BCCERO
Oc1ccc([C@H](O)C[NH2+]C[C@H]2CO2)cc1O	ZINC000039096018	183278852	/nfs/dbraw/zinc/27/88/52/183278852.db2.gz	AFFQONGPKISBCD-GZMMTYOYSA-N	1	0	225.244	0.120	10	10		BCCERO
C[NH+](C)C[C@@H]1OC(=O)c2cc(O)c(O)cc21	ZINC000039098594	384102657	/nfs/dbraw/zinc/10/26/57/384102657.db2.gz	NYPAVWXJDZCUBB-JTQLQIEISA-N	1	0	223.228	0.871	10	10		BCCERO
C[C@@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000096811644	384480358	/nfs/dbraw/zinc/48/03/58/384480358.db2.gz	OPOCGBZFJNCTML-QMMMGPOBSA-N	1	0	239.271	0.981	10	10		BCCERO
C[C@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000096811645	384480982	/nfs/dbraw/zinc/48/09/82/384480982.db2.gz	OPOCGBZFJNCTML-MRVPVSSYSA-N	1	0	239.271	0.981	10	10		BCCERO
C[C@H]([NH2+]C(CO)CO)c1ccccc1O	ZINC000083689745	384791964	/nfs/dbraw/zinc/79/19/64/384791964.db2.gz	WTQAGGFRPKAGSZ-QMMMGPOBSA-N	1	0	211.261	0.396	10	10		BCCERO
COc1cc(O)c([C@@H]([NH3+])CO)c(OC)c1	ZINC000072198195	384812958	/nfs/dbraw/zinc/81/29/58/384812958.db2.gz	ULVAYJYIKCPYIJ-ZETCQYMHSA-N	1	0	213.233	0.402	10	10		BCCERO
COc1cc(F)cc([C@H]([NH3+])CO)c1O	ZINC000072197894	384813016	/nfs/dbraw/zinc/81/30/16/384813016.db2.gz	BERQNNDAUORYAM-SSDOTTSWSA-N	1	0	201.197	0.532	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])cc1	ZINC000034653732	173271286	/nfs/dbraw/zinc/27/12/86/173271286.db2.gz	RJUUZXHZQAXQEK-UHFFFAOYSA-N	1	0	207.277	0.328	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1cccc(OC)c1O	ZINC000042560299	173295156	/nfs/dbraw/zinc/29/51/56/173295156.db2.gz	YFQKCBCEYXXGGK-MRVPVSSYSA-N	1	0	238.287	0.625	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1O	ZINC000042560321	173295709	/nfs/dbraw/zinc/29/57/09/173295709.db2.gz	HBQFBAADLBNWTH-HTQZYQBOSA-N	1	0	238.287	0.883	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cccc(O)c1O	ZINC000042562191	173303108	/nfs/dbraw/zinc/30/31/08/173303108.db2.gz	UFJRDWTYNHAYEH-ZETCQYMHSA-N	1	0	224.260	0.322	10	10		BCCERO
C[NH2+]C[C@@H]1OCCc2c(O)c(O)ccc21	ZINC000039096951	173372426	/nfs/dbraw/zinc/37/24/26/173372426.db2.gz	BTAKHIYPCGTBPZ-JTQLQIEISA-N	1	0	209.245	0.931	10	10		BCCERO
COc1ccc(CN2CC[NH2+]CC2)c(O)c1	ZINC000040906896	175099907	/nfs/dbraw/zinc/09/99/07/175099907.db2.gz	WZBQLBDYLFYWHD-UHFFFAOYSA-N	1	0	222.288	0.806	10	10		BCCERO
COc1ccc(C[NH2+][C@H](C)CO)c(O)c1	ZINC000040906140	175111318	/nfs/dbraw/zinc/11/13/18/175111318.db2.gz	YBKDMWLKYPIYCN-MRVPVSSYSA-N	1	0	211.261	0.871	10	10		BCCERO
COc1ccc(N(C)CC[C@H]([NH3+])C(N)=O)cc1	ZINC000062528478	175136612	/nfs/dbraw/zinc/13/66/12/175136612.db2.gz	NQCVTBBVHNSVQF-NSHDSACASA-N	1	0	237.303	0.334	10	10		BCCERO
C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1	ZINC000226401450	177233427	/nfs/dbraw/zinc/23/34/27/177233427.db2.gz	WPOLDNRHYDLENL-NSHDSACASA-N	1	0	247.342	0.974	10	10		BCCERO
NC(=O)[C@@H]1CCN1c1ccc(C[NH3+])cc1	ZINC000757153914	582539301	/nfs/dbraw/zinc/53/93/01/582539301.db2.gz	WIIMIXYPVALEBP-JTQLQIEISA-N	1	0	205.261	0.209	10	10		BCCERO
Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)c1O	ZINC000706720921	712153410	/nfs/dbraw/zinc/15/34/10/712153410.db2.gz	BZZWSXQSCZTJLJ-NWDGAFQWSA-N	1	0	237.299	0.940	10	10		BCCERO
COc1ccc(C[NH2+]C[C@H](C)O)c(O)c1	ZINC000040906134	343410842	/nfs/dbraw/zinc/41/08/42/343410842.db2.gz	MDPBLBFBCAZDLR-QMMMGPOBSA-N	1	0	211.261	0.871	10	10		BCCERO
Cc1ccc([C@H](C)[NH2+]CC(N)=O)c(O)c1	ZINC000020083307	187315647	/nfs/dbraw/zinc/31/56/47/187315647.db2.gz	OBMHSLMASYJFJG-QMMMGPOBSA-N	1	0	208.261	0.837	10	10		BCCERO
O[C@H]1CCOc2ccc(N3CC[NH2+]CC3)cc21	ZINC000167807777	347184304	/nfs/dbraw/zinc/18/43/04/347184304.db2.gz	ZBQXETHXHJEKAN-LBPRGKRZSA-N	1	0	234.299	0.912	10	10		BCCERO
[NH3+]Cc1ccc(N2CC(O)C2)cc1Cl	ZINC000306789491	351039402	/nfs/dbraw/zinc/03/94/02/351039402.db2.gz	TXAFTNNJHWTMJQ-UHFFFAOYSA-N	1	0	212.680	0.980	10	10		BCCERO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000037273054	181281953	/nfs/dbraw/zinc/28/19/53/181281953.db2.gz	MZERKKPQFQXAKI-SNVBAGLBSA-N	1	0	235.287	0.424	10	10		BCCERO
OCCOCC[NH2+]Cc1cccc(O)c1O	ZINC000041049403	183084053	/nfs/dbraw/zinc/08/40/53/183084053.db2.gz	RAGMTVOWJHQLAA-UHFFFAOYSA-N	1	0	227.260	0.196	10	10		BCCERO
OC[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O	ZINC000083358384	183142405	/nfs/dbraw/zinc/14/24/05/183142405.db2.gz	IKXQFIHLGBYDAJ-SECBINFHSA-N	1	0	231.679	0.488	10	10		BCCERO
Oc1ccc(C[NH2+][C@@H]2CCOC2)cc1O	ZINC000076642172	183270807	/nfs/dbraw/zinc/27/08/07/183270807.db2.gz	XAJHPRKGDYCMLQ-SECBINFHSA-N	1	0	209.245	0.976	10	10		BCCERO
Oc1ccc(C[NH2+]CCc2c[nH]cn2)c(O)c1O	ZINC000083380322	183270954	/nfs/dbraw/zinc/27/09/54/183270954.db2.gz	RKSCLPREDZQRRC-UHFFFAOYSA-N	1	0	249.270	0.859	10	10		BCCERO
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH3+]	ZINC000039098721	384103087	/nfs/dbraw/zinc/10/30/87/384103087.db2.gz	LBEFCZATBYHVCG-SSDOTTSWSA-N	1	0	224.260	0.104	10	10		BCCERO
C[C@@H]1COCCN1c1ccc2c(c1)NC(=O)[C@@H]2[NH3+]	ZINC000036194807	132340451	/nfs/dbraw/zinc/34/04/51/132340451.db2.gz	NTRGJAYORDOVDZ-PRHODGIISA-N	1	0	247.298	0.864	10	10		BCCERO
Cc1cc(C[NH3+])ccc1N1CCNC(=O)C1	ZINC000037733142	132345318	/nfs/dbraw/zinc/34/53/18/132345318.db2.gz	GGJPYLYQYFHGAT-UHFFFAOYSA-N	1	0	219.288	0.390	10	10		BCCERO
Nc1ccc(CCNC(=O)C2C[NH2+]C2)cc1	ZINC000262251761	135288085	/nfs/dbraw/zinc/28/80/85/135288085.db2.gz	DLZQPAKLBMDSAB-UHFFFAOYSA-N	1	0	219.288	0.147	10	10		BCCERO
CC[NH2+][C@H](C(N)=O)c1ccc(N(C)C)cc1	ZINC000037945545	170156287	/nfs/dbraw/zinc/15/62/87/170156287.db2.gz	DDYCSZHMKGCIBO-NSHDSACASA-N	1	0	221.304	0.889	10	10		BCCERO
CCOc1ccc(N(C)C[C@H](O)C[NH3+])cc1	ZINC000077337116	170549957	/nfs/dbraw/zinc/54/99/57/170549957.db2.gz	LSDSQFXWRRFJAD-LLVKDONJSA-N	1	0	224.304	0.841	10	10		BCCERO
CN1CCO[C@H](C[NH2+]Cc2ccccc2O)C1	ZINC000105471198	173106841	/nfs/dbraw/zinc/10/68/41/173106841.db2.gz	DELBQNUFJUZJNF-GFCCVEGCSA-N	1	0	236.315	0.812	10	10		BCCERO
CNC(=O)C[N@H+](C)Cc1cc(N)ccc1O	ZINC000037273656	173270892	/nfs/dbraw/zinc/27/08/92/173270892.db2.gz	KVLQEYNDTOINII-UHFFFAOYSA-N	1	0	223.276	0.152	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1	ZINC000042221506	173303238	/nfs/dbraw/zinc/30/32/38/173303238.db2.gz	LZNQCNSIHQCDOU-JTQLQIEISA-N	1	0	235.331	0.977	10	10		BCCERO
COCCC[NH2+]Cc1ccc(O)c(O)c1O	ZINC000083355267	174248530	/nfs/dbraw/zinc/24/85/30/174248530.db2.gz	VBZJROFXHODWNH-UHFFFAOYSA-N	1	0	227.260	0.930	10	10		BCCERO
COc1ccc(N(C)C[C@H](O)C[NH3+])cc1	ZINC000001762557	175136703	/nfs/dbraw/zinc/13/67/03/175136703.db2.gz	JZTHRYGQGPLAPA-SNVBAGLBSA-N	1	0	210.277	0.451	10	10		BCCERO
COc1ccc(N(C)C[C@H](O)C[NH3+])c(OC)c1	ZINC000077386178	175136728	/nfs/dbraw/zinc/13/67/28/175136728.db2.gz	KYQPPALATJDPGE-SECBINFHSA-N	1	0	240.303	0.460	10	10		BCCERO
COc1ccc(O)c(C[NH2+]CCc2nnc[nH]2)c1	ZINC000080573142	175159006	/nfs/dbraw/zinc/15/90/06/175159006.db2.gz	NEDKXAYQKIBJTK-UHFFFAOYSA-N	1	0	248.286	0.851	10	10		BCCERO
C[C@H]([NH2+]Cc1ccc(O)cc1O)C(N)=O	ZINC000035793763	176875389	/nfs/dbraw/zinc/87/53/89/176875389.db2.gz	VXTDFJOPDXIZEF-LURJTMIESA-N	1	0	210.233	0.061	10	10		BCCERO
C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	ZINC000062964154	641116445	/nfs/dbraw/zinc/11/64/45/641116445.db2.gz	ZVYAKQXMVMGMNW-ZDUSSCGKSA-N	1	0	247.342	0.974	10	10		BCCERO
COc1cc(O)c([C@H]([NH3+])CN)c(OC)c1	ZINC000072200823	343069606	/nfs/dbraw/zinc/06/96/06/343069606.db2.gz	FHCUNYHLLAZBQA-SSDOTTSWSA-N	1	0	212.249	0.368	10	10		BCCERO
C[NH2+]Cc1ccc(N(C)C[C@@H](O)COC)cc1	ZINC000042511626	188478173	/nfs/dbraw/zinc/47/81/73/188478173.db2.gz	CYCJMIBYISMJTO-CYBMUJFWSA-N	1	0	238.331	0.850	10	10		BCCERO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000037273056	181269345	/nfs/dbraw/zinc/26/93/45/181269345.db2.gz	MZERKKPQFQXAKI-JTQLQIEISA-N	1	0	235.287	0.424	10	10		BCCERO
CC(C)[C@H]([NH2+]Cc1ccc(O)cc1O)C(N)=O	ZINC000223966802	538596093	/nfs/dbraw/zinc/59/60/93/538596093.db2.gz	JBMHEPKYDORJNQ-NSHDSACASA-N	1	0	238.287	0.697	10	10		BCCERO
C[C@@H](NC(=O)OC(C)(C)C)C(=O)C[N+]#N	ZINC000101270454	360142530	/nfs/dbraw/zinc/14/25/30/360142530.db2.gz	XPHQCGACMYIDJE-ZCFIWIBFSA-N	1	0	213.237	0.769	10	10		BCCERO
OCCC[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027716651	183058350	/nfs/dbraw/zinc/05/83/50/183058350.db2.gz	GNCYSXKWDZSSND-LLVKDONJSA-N	1	0	227.260	0.103	10	10		BCCERO
Oc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1O	ZINC000039096918	384103111	/nfs/dbraw/zinc/10/31/11/384103111.db2.gz	HMPMOARFRTVSLN-LDYMZIIASA-N	1	0	209.245	0.883	10	10		BCCERO
[NH3+]CC[C@@H]1OC(=O)c2c1ccc(O)c2O	ZINC000039096812	384104223	/nfs/dbraw/zinc/10/42/23/384104223.db2.gz	YXVORKXTZQMDTA-ZETCQYMHSA-N	1	0	209.201	0.658	10	10		BCCERO
[NH3+]C[C@@H](O)c1c(F)cc(O)c(O)c1F	ZINC000013834249	387590582	/nfs/dbraw/zinc/59/05/82/387590582.db2.gz	OGFDKGAXVKUJBQ-RXMQYKEDSA-N	1	0	205.160	0.368	10	10		BCCERO
C[C@H](O)C[NH+]1CCN(c2ccc(N)cc2)CC1	ZINC000019862308	132327850	/nfs/dbraw/zinc/32/78/50/132327850.db2.gz	UEUPJFNEQOLWGB-NSHDSACASA-N	1	0	235.331	0.772	10	10		BCCERO
C[C@@H](O)C[NH+]1CCN(c2ccc(N)cc2)CC1	ZINC000019862305	132328004	/nfs/dbraw/zinc/32/80/04/132328004.db2.gz	UEUPJFNEQOLWGB-LLVKDONJSA-N	1	0	235.331	0.772	10	10		BCCERO
C[NH2+][C@H]1c2ccc(N3CCOCC3)cc2NC1=O	ZINC000036193539	132340448	/nfs/dbraw/zinc/34/04/48/132340448.db2.gz	RWVMWKCNTYFHFQ-LBPRGKRZSA-N	1	0	247.298	0.736	10	10		BCCERO
CCNC(=O)C[NH2+][C@H](C)c1cc(O)ccc1O	ZINC000036780397	170065469	/nfs/dbraw/zinc/06/54/69/170065469.db2.gz	LFBFAPNMBLJJER-MRVPVSSYSA-N	1	0	238.287	0.885	10	10		BCCERO
CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(O)cc1O	ZINC000036794843	170088227	/nfs/dbraw/zinc/08/82/27/170088227.db2.gz	UBOHKRMVXLENCZ-MRVPVSSYSA-N	1	0	238.287	0.712	10	10		BCCERO
CC[NH2+][C@H]1C(=O)Nc2cc(N(C)CCO)ccc21	ZINC000037899446	170165765	/nfs/dbraw/zinc/16/57/65/170165765.db2.gz	HGXMEUXIOLFBHX-GFCCVEGCSA-N	1	0	249.314	0.718	10	10		BCCERO
C[NH+](C)CCNC(=O)CCc1ccc(N)cc1	ZINC000020186534	172457119	/nfs/dbraw/zinc/45/71/19/172457119.db2.gz	CKBKXAFXPQVERN-UHFFFAOYSA-N	1	0	235.331	0.879	10	10		BCCERO
C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1	ZINC000042543657	173121525	/nfs/dbraw/zinc/12/15/25/173121525.db2.gz	MBAHNNSHAVCCED-LLVKDONJSA-N	1	0	249.314	0.468	10	10		BCCERO
CN1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1	ZINC000042543969	173124611	/nfs/dbraw/zinc/12/46/11/173124611.db2.gz	PSRMTALXRARKIG-SNVBAGLBSA-N	1	0	222.288	0.892	10	10		BCCERO
C[NH2+]Cc1nnnn1-c1ccc(OC)cc1	ZINC000054744285	173398695	/nfs/dbraw/zinc/39/86/95/173398695.db2.gz	RSLBVKQNCSHBBE-UHFFFAOYSA-N	1	0	219.248	0.390	10	10		BCCERO
C[NH2+][C@@H]1CCc2c(O)c(O)ccc2[C@@H]1O	ZINC000039096953	173438850	/nfs/dbraw/zinc/43/88/50/173438850.db2.gz	VJBMHARWYAGTQQ-SCZZXKLOSA-N	1	0	209.245	0.665	10	10		BCCERO
O=C1CC[C@H](C[NH2+]Cc2ccccc2O)N1	ZINC000070627915	582599289	/nfs/dbraw/zinc/59/92/89/582599289.db2.gz	SBBYDZDDOMQSNQ-SNVBAGLBSA-N	1	0	220.272	0.760	10	10		BCCERO
Nc1ccc(N2C[C@@H](C[NH3+])OC2=O)cc1	ZINC000202542080	589177857	/nfs/dbraw/zinc/17/78/57/589177857.db2.gz	DJLNNONBNQLLFF-SECBINFHSA-N	1	0	207.233	0.553	10	10		BCCERO
C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(N)=O	ZINC000042879765	637391474	/nfs/dbraw/zinc/39/14/74/637391474.db2.gz	INZNNDGKTNOWEF-ZCFIWIBFSA-N	1	0	238.243	0.084	10	10		BCCERO
CN1C[C@@H](C[NH2+]Cc2ccccc2O)CC1=O	ZINC000722746367	711470230	/nfs/dbraw/zinc/47/02/30/711470230.db2.gz	JEYXZPXIDAYPIJ-SNVBAGLBSA-N	1	0	234.299	0.960	10	10		BCCERO
Oc1ccccc1C[NH2+][C@H]1CCOC[C@@H]1O	ZINC000706791336	712155552	/nfs/dbraw/zinc/15/55/52/712155552.db2.gz	VAAINFVVPIBGSM-JQWIXIFHSA-N	1	0	223.272	0.632	10	10		BCCERO
Nc1ccc(CC[NH+]2CCN(CCO)CC2)cc1	ZINC000036798310	343324380	/nfs/dbraw/zinc/32/43/80/343324380.db2.gz	ATOWJDADTHIRHL-UHFFFAOYSA-N	1	0	249.358	0.421	10	10		BCCERO
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH3+]	ZINC000039098719	343383103	/nfs/dbraw/zinc/38/31/03/343383103.db2.gz	LBEFCZATBYHVCG-ZETCQYMHSA-N	1	0	224.260	0.104	10	10		BCCERO
COc1ccc(C[NH2+]C[C@@H](C)O)c(O)c1	ZINC000040906136	343410825	/nfs/dbraw/zinc/41/08/25/343410825.db2.gz	MDPBLBFBCAZDLR-MRVPVSSYSA-N	1	0	211.261	0.871	10	10		BCCERO
Cc1cccc(C[NH2+]C[C@H](O)CO)c1O	ZINC000083346534	179093515	/nfs/dbraw/zinc/09/35/15/179093515.db2.gz	WRXLKDZTOPSIIZ-JTQLQIEISA-N	1	0	211.261	0.143	10	10		BCCERO
CC(=O)N[C@H](Cc1ccccc1)C(=O)C=[N+]=N	ZINC000096361006	188147699	/nfs/dbraw/zinc/14/76/99/188147699.db2.gz	FMAPWLAZHIZYEH-LLVKDONJSA-O	1	0	232.263	0.613	10	10		BCCERO
OCC(CO)[NH2+]Cc1cc(Cl)ccc1O	ZINC000083690622	183033798	/nfs/dbraw/zinc/03/37/98/183033798.db2.gz	LHZDRWYJMLCOOO-UHFFFAOYSA-N	1	0	231.679	0.488	10	10		BCCERO
OC[C@H](O)C[NH2+]Cc1c(O)ccc2ccccc21	ZINC000083376889	183142219	/nfs/dbraw/zinc/14/22/19/183142219.db2.gz	QLBWQUYPGKBCOM-LLVKDONJSA-N	1	0	247.294	0.988	10	10		BCCERO
Oc1ccc(C[NH2+]C[C@@H]2COCCO2)c(O)c1	ZINC000038060532	183270110	/nfs/dbraw/zinc/27/01/10/183270110.db2.gz	VXPFEJOTPRBPRC-LLVKDONJSA-N	1	0	239.271	0.603	10	10		BCCERO
C[NH2+][C@H]1CCc2c(O)c(O)ccc2C1=O	ZINC000100250597	384628402	/nfs/dbraw/zinc/62/84/02/384628402.db2.gz	KVQODNTVZFTUMJ-QMMMGPOBSA-N	1	0	207.229	0.815	10	10		BCCERO
COc1cc(F)cc([C@@H]([NH3+])CO)c1O	ZINC000072197895	384812347	/nfs/dbraw/zinc/81/23/47/384812347.db2.gz	BERQNNDAUORYAM-ZETCQYMHSA-N	1	0	201.197	0.532	10	10		BCCERO
COc1cc(F)cc([C@H]([NH3+])CN)c1O	ZINC000072200563	384814646	/nfs/dbraw/zinc/81/46/46/384814646.db2.gz	LQNVESGUTRQLHP-SSDOTTSWSA-N	1	0	200.213	0.498	10	10		BCCERO
C[C@@H]([NH3+])c1ccc(N2CCNC(=O)C2)c(F)c1	ZINC000019872623	132328462	/nfs/dbraw/zinc/32/84/62/132328462.db2.gz	NNLPJHPDVKMZRD-MRVPVSSYSA-N	1	0	237.278	0.782	10	10		BCCERO
C[NH+]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1	ZINC000036193588	132340731	/nfs/dbraw/zinc/34/07/31/132340731.db2.gz	LGQRZGRVUSULAX-LBPRGKRZSA-N	1	0	246.314	0.390	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])cc1F	ZINC000037271350	173271194	/nfs/dbraw/zinc/27/11/94/173271194.db2.gz	KOKCMHBOJIWHJZ-UHFFFAOYSA-N	1	0	225.267	0.467	10	10		BCCERO
CNC(=O)C[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000087728076	173277244	/nfs/dbraw/zinc/27/72/44/173277244.db2.gz	SCDQNFVJEIYJFA-ZETCQYMHSA-N	1	0	224.260	0.494	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1O	ZINC000042562189	173295039	/nfs/dbraw/zinc/29/50/39/173295039.db2.gz	DDIHPMKENPUJJO-MRVPVSSYSA-N	1	0	238.287	0.625	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1O	ZINC000042562187	173303060	/nfs/dbraw/zinc/30/30/60/173303060.db2.gz	DDIHPMKENPUJJO-QMMMGPOBSA-N	1	0	238.287	0.625	10	10		BCCERO
COc1ccc(O)c([C@@H](C)[NH2+]CCC(N)=O)c1	ZINC000036746974	175159963	/nfs/dbraw/zinc/15/99/63/175159963.db2.gz	PJCVWEDEFLADRE-MRVPVSSYSA-N	1	0	238.287	0.927	10	10		BCCERO
COc1ccccc1NC[C@@H](O)CC[NH3+]	ZINC000071512254	175337487	/nfs/dbraw/zinc/33/74/87/175337487.db2.gz	AAZYYYKDVICRFK-VIFPVBQESA-N	1	0	210.277	0.817	10	10		BCCERO
C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1	ZINC000226401444	176267388	/nfs/dbraw/zinc/26/73/88/176267388.db2.gz	WPOLDNRHYDLENL-LLVKDONJSA-N	1	0	247.342	0.974	10	10		BCCERO
C[NH2+][C@@H]1Cc2cc(O)c(O)cc2N(C)C1=O	ZINC000039098490	536378242	/nfs/dbraw/zinc/37/82/42/536378242.db2.gz	IMYADYXMTGDERO-SSDOTTSWSA-N	1	0	222.244	0.205	10	10		BCCERO
CN1CCCc2cc([C@H]([NH3+])C(N)=O)ccc21	ZINC000050287544	536398010	/nfs/dbraw/zinc/39/80/10/536398010.db2.gz	WMSIOEUCYWWDNJ-NSHDSACASA-N	1	0	219.288	0.554	10	10		BCCERO
Nc1ccc(CCNC(=O)[C@H]2CCC[NH2+]C2)cc1	ZINC000131838006	591668904	/nfs/dbraw/zinc/66/89/04/591668904.db2.gz	VOTMRYWRATXNLK-LBPRGKRZSA-N	1	0	247.342	0.927	10	10		BCCERO
COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]1CO	ZINC000309850438	634029107	/nfs/dbraw/zinc/02/91/07/634029107.db2.gz	IUBHNAKKFVNTRZ-WCBMZHEXSA-N	1	0	223.272	0.871	10	10		BCCERO
O=C1NCCC[C@@H]1[NH2+]Cc1ccccc1O	ZINC000050394116	643694578	/nfs/dbraw/zinc/69/45/78/643694578.db2.gz	QYIGAKROHLKANC-JTQLQIEISA-N	1	0	220.272	0.760	10	10		BCCERO
Cc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2O)c1	ZINC000706721558	712153112	/nfs/dbraw/zinc/15/31/12/712153112.db2.gz	MZHXUJKJXKSSIJ-WCQYABFASA-N	1	0	237.299	0.940	10	10		BCCERO
CC(C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000042879569	343456395	/nfs/dbraw/zinc/45/63/95/343456395.db2.gz	GKBDUBPJUFHFCD-UHFFFAOYSA-N	1	0	239.271	0.981	10	10		BCCERO
Cc1n(C)c2c([n+]1C)C(=O)c1ccccc1C2=O	ZINC000002570586	179810740	/nfs/dbraw/zinc/81/07/40/179810740.db2.gz	BYEZKMXJCMCQQT-UHFFFAOYSA-N	1	0	241.270	0.933	10	10		BCCERO
[NH2+]=C(NO)N1CCc2cc(O)c(O)cc2C1	ZINC000039098579	181199957	/nfs/dbraw/zinc/19/99/57/181199957.db2.gz	YKTKCVOCOYSOSE-UHFFFAOYSA-N	1	0	223.232	0.369	10	10		BCCERO
[NH3+]Cc1cc(F)c(N2CC[C@H](O)C2)c(F)c1	ZINC000062719170	181477457	/nfs/dbraw/zinc/47/74/57/181477457.db2.gz	GPASAPVRARLRMQ-QMMMGPOBSA-N	1	0	228.242	0.995	10	10		BCCERO
Nc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1	ZINC000042432715	181720239	/nfs/dbraw/zinc/72/02/39/181720239.db2.gz	HODJITCDVWJBPM-LLVKDONJSA-N	1	0	222.288	0.931	10	10		BCCERO
O=C(CSc1nccs1)N1CC[NH2+]CC1	ZINC000043403206	182011135	/nfs/dbraw/zinc/01/11/35/182011135.db2.gz	HXSGDKGVFPVRJK-UHFFFAOYSA-N	1	0	243.357	0.667	10	10		BCCERO
OCCC[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000027716658	183059188	/nfs/dbraw/zinc/05/91/88/183059188.db2.gz	GNCYSXKWDZSSND-NSHDSACASA-N	1	0	227.260	0.103	10	10		BCCERO
OC[C@@H](O)C[NH2+]Cc1c(O)ccc2ccccc21	ZINC000083376888	183111244	/nfs/dbraw/zinc/11/12/44/183111244.db2.gz	QLBWQUYPGKBCOM-NSHDSACASA-N	1	0	247.294	0.988	10	10		BCCERO
Oc1ccc2c(c1O)C[C@@H]2C1=[NH+]CCN1	ZINC000027523940	183282949	/nfs/dbraw/zinc/28/29/49/183282949.db2.gz	YRRIOBDKLCQYEK-QMMMGPOBSA-N	1	0	204.229	0.739	10	10		BCCERO
CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000040457727	169243373	/nfs/dbraw/zinc/24/33/73/169243373.db2.gz	QXCQPGQXUGICRT-VIFPVBQESA-N	1	0	238.287	0.494	10	10		BCCERO
C[NH+](C)C[C@H]1OC(=O)c2cc(O)c(O)cc21	ZINC000039098593	384104062	/nfs/dbraw/zinc/10/40/62/384104062.db2.gz	NYPAVWXJDZCUBB-SNVBAGLBSA-N	1	0	223.228	0.871	10	10		BCCERO
Oc1ccc([C@@H](O)C2=[NH+]CCN2)cc1O	ZINC000006092141	384145959	/nfs/dbraw/zinc/14/59/59/384145959.db2.gz	QXTDBFMUJTXKNQ-SECBINFHSA-N	1	0	208.217	0.133	10	10		BCCERO
C[C@@H]([NH2+]C(CO)CO)c1ccccc1O	ZINC000083689747	384792776	/nfs/dbraw/zinc/79/27/76/384792776.db2.gz	WTQAGGFRPKAGSZ-MRVPVSSYSA-N	1	0	211.261	0.396	10	10		BCCERO
C[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=N	ZINC000575332516	386680711	/nfs/dbraw/zinc/68/07/11/386680711.db2.gz	FRCAYTIBAZKHON-LURJTMIESA-O	1	0	214.245	0.779	10	10		BCCERO
Nc1ccc(N2CC[NH+](CCCO)CC2)cc1	ZINC000011756039	132320451	/nfs/dbraw/zinc/32/04/51/132320451.db2.gz	MGDGOUWCDVDKPD-UHFFFAOYSA-N	1	0	235.331	0.773	10	10		BCCERO
C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3[NH3+])CCO1	ZINC000036193670	132340698	/nfs/dbraw/zinc/34/06/98/132340698.db2.gz	KIAKITZKEDKMOS-PRHODGIISA-N	1	0	247.298	0.864	10	10		BCCERO
CC(C)[NH2+][C@H](C(N)=O)c1ccc(O)c(O)c1	ZINC000037943540	167138167	/nfs/dbraw/zinc/13/81/67/167138167.db2.gz	HZQVPLUXLODGSP-JTQLQIEISA-N	1	0	224.260	0.622	10	10		BCCERO
CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1	ZINC000035136230	170087589	/nfs/dbraw/zinc/08/75/89/170087589.db2.gz	FXJJWXDFJDUKIQ-MRVPVSSYSA-N	1	0	238.287	0.712	10	10		BCCERO
CCNC(=O)[C@H](C)[NH2+]Cc1ccc(O)c(O)c1	ZINC000035136231	170094801	/nfs/dbraw/zinc/09/48/01/170094801.db2.gz	FXJJWXDFJDUKIQ-QMMMGPOBSA-N	1	0	238.287	0.712	10	10		BCCERO
CN1CCc2cc([C@H]([NH3+])C(N)=O)ccc21	ZINC000050287539	173172541	/nfs/dbraw/zinc/17/25/41/173172541.db2.gz	LGAOFAZKZUMKJW-JTQLQIEISA-N	1	0	205.261	0.164	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccc(O)c(O)c1	ZINC000042341978	173302879	/nfs/dbraw/zinc/30/28/79/173302879.db2.gz	FCFMOMOEHKFYGS-ZETCQYMHSA-N	1	0	224.260	0.322	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000042560312	173303236	/nfs/dbraw/zinc/30/32/36/173303236.db2.gz	HBQFBAADLBNWTH-YUMQZZPRSA-N	1	0	238.287	0.883	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O	ZINC000226585849	173303269	/nfs/dbraw/zinc/30/32/69/173303269.db2.gz	SQRNBKWCDLMEAG-ZETCQYMHSA-N	1	0	226.251	0.755	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1O	ZINC000042560315	173303473	/nfs/dbraw/zinc/30/34/73/173303473.db2.gz	HBQFBAADLBNWTH-SFYZADRCSA-N	1	0	238.287	0.883	10	10		BCCERO
C[NH2+]Cc1ccc(N2CC[C@H](O)C2)cc1	ZINC000061711229	173389048	/nfs/dbraw/zinc/38/90/48/173389048.db2.gz	UHVLTAUTJQAUDP-LBPRGKRZSA-N	1	0	206.289	0.977	10	10		BCCERO
COCCN[C@H](C[NH3+])c1ccc2c(c1)CCN2C	ZINC000053255731	174340247	/nfs/dbraw/zinc/34/02/47/174340247.db2.gz	OPSAFCSTDVKTHV-CYBMUJFWSA-N	1	0	249.358	0.915	10	10		BCCERO
COc1ccc(N(C)C[C@@H](O)CC[NH3+])cc1	ZINC000077337155	175136643	/nfs/dbraw/zinc/13/66/43/175136643.db2.gz	LWTBGOOPIZFQGA-NSHDSACASA-N	1	0	224.304	0.841	10	10		BCCERO
COc1cccc(C[NH2+]C[C@@H](C)O)c1O	ZINC000035601968	175264874	/nfs/dbraw/zinc/26/48/74/175264874.db2.gz	YEVBBVFKBRTJHF-MRVPVSSYSA-N	1	0	211.261	0.871	10	10		BCCERO
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C	ZINC000110699408	177218352	/nfs/dbraw/zinc/21/83/52/177218352.db2.gz	UXMBSCOUWYRJCO-NSHDSACASA-N	1	0	247.342	0.974	10	10		BCCERO
C[NH+](C)CCN1CCN(c2ccc(N)cc2)CC1	ZINC000020179886	535876170	/nfs/dbraw/zinc/87/61/70/535876170.db2.gz	MDXCVBZKQDAXEL-UHFFFAOYSA-N	1	0	248.374	0.952	10	10		BCCERO
O=C(NCc1ccccc1O)[C@@H]1CC[NH2+]C1	ZINC000162966007	635266916	/nfs/dbraw/zinc/26/69/16/635266916.db2.gz	KYBBFFIXNMZFQF-SNVBAGLBSA-N	1	0	220.272	0.618	10	10		BCCERO
Cc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2O)c1	ZINC000706721559	712153046	/nfs/dbraw/zinc/15/30/46/712153046.db2.gz	MZHXUJKJXKSSIJ-YPMHNXCESA-N	1	0	237.299	0.940	10	10		BCCERO
Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1O	ZINC000706720982	712153076	/nfs/dbraw/zinc/15/30/76/712153076.db2.gz	FRGFZXDJMAVTKE-PWSUYJOCSA-N	1	0	241.262	0.771	10	10		BCCERO
COc1cc(O)c([C@@H]([NH3+])CN)c(OC)c1	ZINC000072200824	343069635	/nfs/dbraw/zinc/06/96/35/343069635.db2.gz	FHCUNYHLLAZBQA-ZETCQYMHSA-N	1	0	212.249	0.368	10	10		BCCERO
C[C@H]([NH3+])[C@H](O)c1cc(O)c(O)cc1F	ZINC000039096244	343382476	/nfs/dbraw/zinc/38/24/76/343382476.db2.gz	TYAWETXXPKKEDI-IGJIYHIXSA-N	1	0	201.197	0.618	10	10		BCCERO
N#[N+]CC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000082057867	345772268	/nfs/dbraw/zinc/77/22/68/345772268.db2.gz	VHALNQYKFAEYAB-UHFFFAOYSA-N	1	0	221.172	0.939	10	10		BCCERO
CCCn1ccnc1C1=C[C@@H]([NH3+])CNC1	ZINC000675078437	538514930	/nfs/dbraw/zinc/51/49/30/538514930.db2.gz	PMDODFLVTVHCBE-SNVBAGLBSA-N	1	0	206.293	0.607	10	10		BCCERO
CC(C)[C@@H]([NH2+]Cc1ccc(O)cc1O)C(N)=O	ZINC000223966753	538596998	/nfs/dbraw/zinc/59/69/98/538596998.db2.gz	JBMHEPKYDORJNQ-LLVKDONJSA-N	1	0	238.287	0.697	10	10		BCCERO
[NH3+]CCCCNC(=O)c1ccc(O)c(O)c1	ZINC000039098723	181377650	/nfs/dbraw/zinc/37/76/50/181377650.db2.gz	ZKSJBLUVFWNNPG-UHFFFAOYSA-N	1	0	224.260	0.567	10	10		BCCERO
OC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O	ZINC000083358383	183110785	/nfs/dbraw/zinc/11/07/85/183110785.db2.gz	IKXQFIHLGBYDAJ-VIFPVBQESA-N	1	0	231.679	0.488	10	10		BCCERO
Oc1ccc(CN2CCC[NH2+]CC2)cc1O	ZINC000038086883	183268723	/nfs/dbraw/zinc/26/87/23/183268723.db2.gz	FMDIJCCVUWGXAB-UHFFFAOYSA-N	1	0	222.288	0.893	10	10		BCCERO
[NH3+]C[C@H](O)c1ccc(O)c(O)c1Cl	ZINC000006091772	384145830	/nfs/dbraw/zinc/14/58/30/384145830.db2.gz	CSNOHCAVEOSPLF-LURJTMIESA-N	1	0	203.625	0.743	10	10		BCCERO
C[C@@H](O)C[N@H+](C)Cc1cc2c(cc1O)OCO2	ZINC000130729186	385279521	/nfs/dbraw/zinc/27/95/21/385279521.db2.gz	JPSLZMVTTQAKJF-MRVPVSSYSA-N	1	0	239.271	0.934	10	10		BCCERO
OCCOc1ccc(N2CC[NH2+]CC2)cc1	ZINC000035650808	132338875	/nfs/dbraw/zinc/33/88/75/132338875.db2.gz	CPOICVAPALTGRB-UHFFFAOYSA-N	1	0	222.288	0.467	10	10		BCCERO
CCNC(=O)CN(C)c1ccc(C[NH2+]C)cc1	ZINC000049727804	170055385	/nfs/dbraw/zinc/05/53/85/170055385.db2.gz	RRDMNXJAPGWKBG-UHFFFAOYSA-N	1	0	235.331	0.978	10	10		BCCERO
CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000040457816	170090316	/nfs/dbraw/zinc/09/03/16/170090316.db2.gz	FDIPEZLEPAIQJM-QMMMGPOBSA-N	1	0	224.260	0.104	10	10		BCCERO
CCOc1ccc(N(C)C[C@@H](O)C[NH3+])cc1	ZINC000077337120	170549521	/nfs/dbraw/zinc/54/95/21/170549521.db2.gz	LSDSQFXWRRFJAD-NSHDSACASA-N	1	0	224.304	0.841	10	10		BCCERO
CNC(=O)C[NH2+][C@H](C)c1ccc(O)cc1O	ZINC000037224838	173278527	/nfs/dbraw/zinc/27/85/27/173278527.db2.gz	YXZZEYTWONOUJT-SSDOTTSWSA-N	1	0	224.260	0.494	10	10		BCCERO
CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N)cc1	ZINC000035360540	173294398	/nfs/dbraw/zinc/29/43/98/173294398.db2.gz	UWEYIHMNODMBJW-SECBINFHSA-N	1	0	221.304	0.835	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1	ZINC000042341981	173295135	/nfs/dbraw/zinc/29/51/35/173295135.db2.gz	FCFMOMOEHKFYGS-SSDOTTSWSA-N	1	0	224.260	0.322	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cccc(OC)c1O	ZINC000042560296	173302812	/nfs/dbraw/zinc/30/28/12/173302812.db2.gz	YFQKCBCEYXXGGK-QMMMGPOBSA-N	1	0	238.287	0.625	10	10		BCCERO
C[NH2+]C[C@H](O)c1ccc(O)c(O)c1F	ZINC000011422476	173377321	/nfs/dbraw/zinc/37/73/21/173377321.db2.gz	HGZKLMFEVVYGMO-ZETCQYMHSA-N	1	0	201.197	0.490	10	10		BCCERO
C[NH2+][C@H](C(N)=O)c1ccc2c(c1)CCN2C	ZINC000050287581	173442865	/nfs/dbraw/zinc/44/28/65/173442865.db2.gz	FIYYPKRMRDYHLM-NSHDSACASA-N	1	0	219.288	0.425	10	10		BCCERO
COCCN[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000053255802	174338166	/nfs/dbraw/zinc/33/81/66/174338166.db2.gz	CRFJGPYPNZRIJY-ZDUSSCGKSA-N	1	0	237.347	0.988	10	10		BCCERO
COCCN[C@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000053255801	174340373	/nfs/dbraw/zinc/34/03/73/174340373.db2.gz	CRFJGPYPNZRIJY-CYBMUJFWSA-N	1	0	237.347	0.988	10	10		BCCERO
COc1ccc(O)c([C@H](C)[NH2+]CCC(N)=O)c1	ZINC000036746973	175159773	/nfs/dbraw/zinc/15/97/73/175159773.db2.gz	PJCVWEDEFLADRE-QMMMGPOBSA-N	1	0	238.287	0.927	10	10		BCCERO
COc1ccc([C@@H](C)[NH2+][C@H](C)C(N)=O)c(O)c1	ZINC000035792617	175177872	/nfs/dbraw/zinc/17/78/72/175177872.db2.gz	DMVSJRVAZSQBJZ-HTQZYQBOSA-N	1	0	238.287	0.925	10	10		BCCERO
COc1ccc([C@H](C)[NH2+]CCC(N)=O)c(O)c1	ZINC000036746821	175188530	/nfs/dbraw/zinc/18/85/30/175188530.db2.gz	OIRDEEPSYAVLFF-QMMMGPOBSA-N	1	0	238.287	0.927	10	10		BCCERO
C[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)cc1	ZINC000054076190	635344770	/nfs/dbraw/zinc/34/47/70/635344770.db2.gz	VLJQCDUQWUXNKH-SNVBAGLBSA-N	1	0	235.331	0.977	10	10		BCCERO
Oc1ccccc1C[NH2+][C@H]1CCOC[C@H]1O	ZINC000706791333	712155227	/nfs/dbraw/zinc/15/52/27/712155227.db2.gz	VAAINFVVPIBGSM-CMPLNLGQSA-N	1	0	223.272	0.632	10	10		BCCERO
NC(=O)C1CC([NH2+]Cc2cc(F)ccc2O)C1	ZINC000716685639	712569792	/nfs/dbraw/zinc/56/97/92/712569792.db2.gz	TUOHTXOUOWJONL-UHFFFAOYSA-N	1	0	238.262	0.885	10	10		BCCERO
CC(C)[C@H]([NH2+]Cc1ccc(O)c(O)c1)C(N)=O	ZINC000231040239	538952014	/nfs/dbraw/zinc/95/20/14/538952014.db2.gz	LGYANTNMVXSWBT-NSHDSACASA-N	1	0	238.287	0.697	10	10		BCCERO
CC(C)[C@@H]([NH2+]Cc1cccc(O)c1O)C(N)=O	ZINC000231041985	538952207	/nfs/dbraw/zinc/95/22/07/538952207.db2.gz	BSHWRAQENIGGEU-SNVBAGLBSA-N	1	0	238.287	0.697	10	10		BCCERO
O[C@@H]1CCOc2ccc(N3CC[NH2+]CC3)cc21	ZINC000167807675	346718314	/nfs/dbraw/zinc/71/83/14/346718314.db2.gz	ZBQXETHXHJEKAN-GFCCVEGCSA-N	1	0	234.299	0.912	10	10		BCCERO
CC(C)N(CCO)c1ccc2c(c1)NC(=O)[C@H]2[NH3+]	ZINC000042479817	188477473	/nfs/dbraw/zinc/47/74/73/188477473.db2.gz	MQHYCTSQUPWVLF-LBPRGKRZSA-N	1	0	249.314	0.846	10	10		BCCERO
NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(N)ccc1O	ZINC000042403908	181279833	/nfs/dbraw/zinc/27/98/33/181279833.db2.gz	QFBAORQVNFOVFK-LLVKDONJSA-N	1	0	249.314	0.814	10	10		BCCERO
NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(O)c(O)c1	ZINC000037947036	181278005	/nfs/dbraw/zinc/27/80/05/181278005.db2.gz	VCAGFLFDRJUHLO-LLVKDONJSA-N	1	0	236.271	0.624	10	10		BCCERO
[NH3+]CCC(=O)NCCc1ccc(O)c(O)c1	ZINC000006091859	181367548	/nfs/dbraw/zinc/36/75/48/181367548.db2.gz	KGZWXTYWZFMLSQ-UHFFFAOYSA-N	1	0	224.260	0.105	10	10	in-vitro	BCCERO
NC(=O)[C@H]1CCCN1c1ccc(C[NH3+])cc1	ZINC000020294182	181483755	/nfs/dbraw/zinc/48/37/55/181483755.db2.gz	ADOVCTSCVJOWQE-LLVKDONJSA-N	1	0	219.288	0.599	10	10		BCCERO
Oc1ccc(CCN2C=[NH+]CC2)cc1O	ZINC000028261097	183269023	/nfs/dbraw/zinc/26/90/23/183269023.db2.gz	AKKCKWGGXCQSIW-UHFFFAOYSA-N	1	0	206.245	0.984	10	10		BCCERO
[NH3+]CCOc1ccc(N2CCOCC2)cc1	ZINC000019726704	132326277	/nfs/dbraw/zinc/32/62/77/132326277.db2.gz	FYRJPHJGBAXIOR-UHFFFAOYSA-N	1	0	222.288	0.861	10	10		BCCERO
[NH3+]Cc1ccc(N2CCNC(=O)C2)cc1	ZINC000019865395	132327836	/nfs/dbraw/zinc/32/78/36/132327836.db2.gz	HHTYQKRMCZUXLU-UHFFFAOYSA-N	1	0	205.261	0.082	10	10		BCCERO
C[NH2+]Cc1ccc(N2CCNC(=O)C2)cc1	ZINC000034824158	132337026	/nfs/dbraw/zinc/33/70/26/132337026.db2.gz	VUUGHVVLXZFGEZ-UHFFFAOYSA-N	1	0	219.288	0.342	10	10		BCCERO
O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc2c(c1)CCO2	ZINC000262148960	135282105	/nfs/dbraw/zinc/28/21/05/135282105.db2.gz	QWYIZVZAGQQBTE-CHWSQXEVSA-N	1	0	248.326	0.291	10	10		BCCERO
O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc2c(c1)CCO2	ZINC000262148969	135282264	/nfs/dbraw/zinc/28/22/64/135282264.db2.gz	QWYIZVZAGQQBTE-STQMWFEESA-N	1	0	248.326	0.291	10	10		BCCERO
CN(C)c1ccc(C[NH2+]C[C@@H](O)CO)cc1	ZINC000083353511	172553264	/nfs/dbraw/zinc/55/32/64/172553264.db2.gz	MTBKXNRWWKUPOQ-GFCCVEGCSA-N	1	0	224.304	0.195	10	10		BCCERO
CN1CC[NH+](Cc2cc(N)ccc2O)CC1	ZINC000037272051	173086704	/nfs/dbraw/zinc/08/67/04/173086704.db2.gz	DVWDFOXQOMJGGB-UHFFFAOYSA-N	1	0	221.304	0.722	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O	ZINC000162828993	173303128	/nfs/dbraw/zinc/30/31/28/173303128.db2.gz	AVGLYELJLXIHPL-VIFPVBQESA-N	1	0	222.288	0.925	10	10		BCCERO
C[NH2+]C[C@H](O)c1cc(O)c(O)cc1F	ZINC000013807919	173377034	/nfs/dbraw/zinc/37/70/34/173377034.db2.gz	DKBXREAGJFVVAP-VIFPVBQESA-N	1	0	201.197	0.490	10	10		BCCERO
C[NH2+]Cc1nc(-c2ccc(O)c(O)c2)no1	ZINC000083019135	173395790	/nfs/dbraw/zinc/39/57/90/173395790.db2.gz	FSRNIXJVWPXMCR-UHFFFAOYSA-N	1	0	221.216	0.867	10	10		BCCERO
COc1ccc(F)c([C@@H]([NH3+])CO)c1O	ZINC000072197897	175126843	/nfs/dbraw/zinc/12/68/43/175126843.db2.gz	LUBXBJGEJAZBEI-LURJTMIESA-N	1	0	201.197	0.532	10	10		BCCERO
COc1ccc(N(C)C[C@@H](O)C[NH3+])cc1OC	ZINC000077386186	175136710	/nfs/dbraw/zinc/13/67/10/175136710.db2.gz	HPVRNLGKHZFBLS-JTQLQIEISA-N	1	0	240.303	0.460	10	10		BCCERO
COc1cccc(C[NH2+]C[C@H](C)O)c1O	ZINC000035601967	175264627	/nfs/dbraw/zinc/26/46/27/175264627.db2.gz	YEVBBVFKBRTJHF-QMMMGPOBSA-N	1	0	211.261	0.871	10	10		BCCERO
C[C@H](c1ccccc1O)N(C)C(=O)C[NH3+]	ZINC000037826492	177043103	/nfs/dbraw/zinc/04/31/03/177043103.db2.gz	BBTQTWCUYGUOAY-MRVPVSSYSA-N	1	0	208.261	0.870	10	10		BCCERO
C[C@@H](O)CC[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000078781322	641954169	/nfs/dbraw/zinc/95/41/69/641954169.db2.gz	IVNJCKLAPCPVIJ-MRVPVSSYSA-N	1	0	239.271	0.981	10	10		BCCERO
Nc1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000031937899	343226452	/nfs/dbraw/zinc/22/64/52/343226452.db2.gz	SEMWVZDOPKFQFT-UHFFFAOYSA-N	1	0	208.261	0.807	10	10		BCCERO
CCCC[C@@H](NC(=O)C[N+]#N)C(=O)OC	ZINC000033938772	345923481	/nfs/dbraw/zinc/92/34/81/345923481.db2.gz	FYWUDMKRXAJRTP-SSDOTTSWSA-O	1	0	214.245	0.144	10	10		BCCERO
CN(C)c1ccc([C@@](C)([NH3+])C(N)=O)cc1	ZINC000037902600	350290856	/nfs/dbraw/zinc/29/08/56/350290856.db2.gz	IZSZOBXDIMTFIL-LLVKDONJSA-N	1	0	207.277	0.412	10	10		BCCERO
CCOC(=O)C=C(C)C([N+]#N)C(=O)OCC	ZINC000584601917	358259366	/nfs/dbraw/zinc/25/93/66/358259366.db2.gz	GDURTOZDQQLHPP-VOTSOKGWSA-N	1	0	226.232	0.730	10	10		BCCERO
[NH3+][C@H]1c2ccc(N(CCO)C3CC3)cc2NC1=O	ZINC000042479906	181570335	/nfs/dbraw/zinc/57/03/35/181570335.db2.gz	BSXWABKAKULDKW-LBPRGKRZSA-N	1	0	247.298	0.600	10	10		BCCERO
OCCOCC[NH2+]Cc1ccc(O)cc1O	ZINC000020198612	183084293	/nfs/dbraw/zinc/08/42/93/183084293.db2.gz	BNUDKVBFZZQQGN-UHFFFAOYSA-N	1	0	227.260	0.196	10	10		BCCERO
Oc1ccc(CN2CCC[NH2+]CC2)c(O)c1	ZINC000038086798	183268403	/nfs/dbraw/zinc/26/84/03/183268403.db2.gz	XXLCYOZUYKLPHW-UHFFFAOYSA-N	1	0	222.288	0.893	10	10		BCCERO
Oc1ccc2c(c1O)C[C@H]2C1=[NH+]CCN1	ZINC000027523941	183283584	/nfs/dbraw/zinc/28/35/84/183283584.db2.gz	YRRIOBDKLCQYEK-MRVPVSSYSA-N	1	0	204.229	0.739	10	10		BCCERO
[NH3+]CC[C@H]1OC(=O)c2c1ccc(O)c2O	ZINC000039096813	384104432	/nfs/dbraw/zinc/10/44/32/384104432.db2.gz	YXVORKXTZQMDTA-SSDOTTSWSA-N	1	0	209.201	0.658	10	10		BCCERO
CC(=O)NCC[NH2+]Cc1ccccc1O	ZINC000020148789	384585838	/nfs/dbraw/zinc/58/58/38/384585838.db2.gz	VQFYYXRMOIZLMQ-UHFFFAOYSA-N	1	0	208.261	0.618	10	10		BCCERO
[NH3+]C[C@H](O)c1c(F)cc(O)c(O)c1F	ZINC000013834250	387590627	/nfs/dbraw/zinc/59/06/27/387590627.db2.gz	OGFDKGAXVKUJBQ-YFKPBYRVSA-N	1	0	205.160	0.368	10	10		BCCERO
C[C@@H]([NH3+])c1ccc(N2CCNC(=O)C2)cc1	ZINC000019872630	132328402	/nfs/dbraw/zinc/32/84/02/132328402.db2.gz	XNMSAUNZFZNXJI-SECBINFHSA-N	1	0	219.288	0.643	10	10		BCCERO
CC(C)C[NH2+][C@H](C(N)=O)c1ccc(O)c(O)c1	ZINC000037946071	167013657	/nfs/dbraw/zinc/01/36/57/167013657.db2.gz	CWQZKUKZENNAPF-NSHDSACASA-N	1	0	238.287	0.870	10	10		BCCERO
CC[NH2+][C@@H](C(N)=O)c1ccc(N(C)C)cc1	ZINC000037945546	170138261	/nfs/dbraw/zinc/13/82/61/170138261.db2.gz	DDYCSZHMKGCIBO-LLVKDONJSA-N	1	0	221.304	0.889	10	10		BCCERO
Cn1ccc(/C=C\[NH+](C)C)c([N+](=O)[O-])c1=O	ZINC000216580860	172352441	/nfs/dbraw/zinc/35/24/41/172352441.db2.gz	LGJTWTMNNOATLQ-XQRVVYSFSA-N	1	0	223.232	0.826	10	10		BCCERO
CN(C)C(=O)CC[NH2+]Cc1ccc(O)c(O)c1	ZINC000037751464	172360277	/nfs/dbraw/zinc/36/02/77/172360277.db2.gz	KLBLUSMKGORDMT-UHFFFAOYSA-N	1	0	238.287	0.666	10	10		BCCERO
CNC(=O)CN(C)c1ccc(C[NH3+])cc1Cl	ZINC000062792873	173272564	/nfs/dbraw/zinc/27/25/64/173272564.db2.gz	JDLVGEKOXQWWHK-UHFFFAOYSA-N	1	0	241.722	0.981	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1O	ZINC000042560221	173295104	/nfs/dbraw/zinc/29/51/04/173295104.db2.gz	CTGSUVAOQQDMIN-MRVPVSSYSA-N	1	0	208.261	0.616	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000042560456	173295116	/nfs/dbraw/zinc/29/51/16/173295116.db2.gz	YRTCIXDPWHGNHE-JGVFFNPUSA-N	1	0	238.287	0.883	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+]Cc1ccc(O)cc1O	ZINC000042560227	173295381	/nfs/dbraw/zinc/29/53/81/173295381.db2.gz	AORJIDXPVQPKPR-SSDOTTSWSA-N	1	0	224.260	0.322	10	10		BCCERO
CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1O	ZINC000042560459	173295718	/nfs/dbraw/zinc/29/57/18/173295718.db2.gz	YRTCIXDPWHGNHE-HTQZYQBOSA-N	1	0	238.287	0.883	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccc(O)cc1O	ZINC000042560224	173302765	/nfs/dbraw/zinc/30/27/65/173302765.db2.gz	AORJIDXPVQPKPR-ZETCQYMHSA-N	1	0	224.260	0.322	10	10		BCCERO
C[NH2+]C[C@@H]1OCCc2cc(O)c(O)cc21	ZINC000039096948	173372716	/nfs/dbraw/zinc/37/27/16/173372716.db2.gz	MLHJHRSSWPEYJW-NSHDSACASA-N	1	0	209.245	0.931	10	10		BCCERO
COc1ccc([C@H](C)[NH2+][C@H](C)C(N)=O)c(O)c1	ZINC000035792614	175189790	/nfs/dbraw/zinc/18/97/90/175189790.db2.gz	DMVSJRVAZSQBJZ-JGVFFNPUSA-N	1	0	238.287	0.925	10	10		BCCERO
C[N+](C)(C)c1ccc(OC[C@H](O)CO)cc1	ZINC000001851663	717090656	/nfs/dbraw/zinc/09/06/56/717090656.db2.gz	SKQIOTQBMNKERT-LLVKDONJSA-N	1	0	226.296	0.615	10	10		BCCERO
CC(C)[C@H]([NH2+]Cc1cccc(O)c1O)C(N)=O	ZINC000231041988	538952297	/nfs/dbraw/zinc/95/22/97/538952297.db2.gz	BSHWRAQENIGGEU-JTQLQIEISA-N	1	0	238.287	0.697	10	10		BCCERO
C[C@@H]([NH3+])C(=O)NCCc1ccc(O)c(O)c1	ZINC000147461311	345711017	/nfs/dbraw/zinc/71/10/17/345711017.db2.gz	LDALKGSQOBRAOA-SSDOTTSWSA-N	1	0	224.260	0.104	10	10		BCCERO
CN=[N+](O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000022636765	188109490	/nfs/dbraw/zinc/10/94/90/188109490.db2.gz	GXNGNJQYEIIVKX-HJWRWDBZSA-N	1	0	219.197	0.335	10	10		BCCERO
[NH3+]Cc1ccc(N2CCNC(=O)CC2)c(F)c1	ZINC000062099168	181483844	/nfs/dbraw/zinc/48/38/44/181483844.db2.gz	FDZLPUMCSCXAPC-UHFFFAOYSA-N	1	0	237.278	0.611	10	10		BCCERO
CN(C)C1=[NH+]Cc2c(O)c(O)ccc2N1	ZINC000027765812	384912386	/nfs/dbraw/zinc/91/23/86/384912386.db2.gz	HOZZVBSDBGHQAM-UHFFFAOYSA-N	1	0	207.233	0.941	10	10		BCCERO
NC(=O)[C@@H]1CCCCN1c1ccc(C[NH3+])cc1	ZINC000042403566	132351229	/nfs/dbraw/zinc/35/12/29/132351229.db2.gz	JGZCZASFGTVKDJ-LBPRGKRZSA-N	1	0	233.315	0.990	10	10		BCCERO
NC(=O)[C@H]1CCCCN1c1ccc(C[NH3+])cc1	ZINC000042403564	132351232	/nfs/dbraw/zinc/35/12/32/132351232.db2.gz	JGZCZASFGTVKDJ-GFCCVEGCSA-N	1	0	233.315	0.990	10	10		BCCERO
COc1ccc2c(c1)NC(=O)[C@H]1C[NH2+]CCN21	ZINC000076679872	132402304	/nfs/dbraw/zinc/40/23/04/132402304.db2.gz	QPVDQJNEHXUWJZ-LLVKDONJSA-N	1	0	233.271	0.426	10	10		BCCERO
O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc2c(c1)CCO2	ZINC000262148966	135282245	/nfs/dbraw/zinc/28/22/45/135282245.db2.gz	QWYIZVZAGQQBTE-QWHCGFSZSA-N	1	0	248.326	0.291	10	10		BCCERO
O[C@H]1C[NH2+]C[C@H]1CNCc1ccc2c(c1)CCO2	ZINC000262148963	135282516	/nfs/dbraw/zinc/28/25/16/135282516.db2.gz	QWYIZVZAGQQBTE-OLZOCXBDSA-N	1	0	248.326	0.291	10	10		BCCERO
CCNC(=O)C[N@H+](C)CCc1ccc(N)cc1	ZINC000049725883	170054239	/nfs/dbraw/zinc/05/42/39/170054239.db2.gz	NVZBVICBZRSELD-UHFFFAOYSA-N	1	0	235.331	0.879	10	10		BCCERO
CCNC(=O)C[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000036780396	170064842	/nfs/dbraw/zinc/06/48/42/170064842.db2.gz	LFBFAPNMBLJJER-QMMMGPOBSA-N	1	0	238.287	0.885	10	10		BCCERO
CN(C)C(=O)C[NH2+]Cc1ccc(O)c(O)c1	ZINC000037207460	172370743	/nfs/dbraw/zinc/37/07/43/172370743.db2.gz	VHNZRYBJWRFCAU-UHFFFAOYSA-N	1	0	224.260	0.276	10	10		BCCERO
CN(CC[NH+]1CCN(C)CC1)c1ccc(N)cc1	ZINC000019730758	173081840	/nfs/dbraw/zinc/08/18/40/173081840.db2.gz	GZSJKNJKCAMLMP-UHFFFAOYSA-N	1	0	248.374	0.952	10	10		BCCERO
CN1CCO[C@@H](C[NH2+]Cc2ccccc2O)C1	ZINC000105471200	173103361	/nfs/dbraw/zinc/10/33/61/173103361.db2.gz	DELBQNUFJUZJNF-LBPRGKRZSA-N	1	0	236.315	0.812	10	10		BCCERO
CNC(=O)C[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000037224837	173278133	/nfs/dbraw/zinc/27/81/33/173278133.db2.gz	YXZZEYTWONOUJT-ZETCQYMHSA-N	1	0	224.260	0.494	10	10		BCCERO
C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1F	ZINC000013807918	173366529	/nfs/dbraw/zinc/36/65/29/173366529.db2.gz	HGZKLMFEVVYGMO-SSDOTTSWSA-N	1	0	201.197	0.490	10	10		BCCERO
C[NH2+]C[C@H]1OCCc2c(O)c(O)ccc21	ZINC000039096949	173383572	/nfs/dbraw/zinc/38/35/72/173383572.db2.gz	BTAKHIYPCGTBPZ-SNVBAGLBSA-N	1	0	209.245	0.931	10	10		BCCERO
COc1ccc(O)c(C[NH2+]C[C@H](C)O)c1	ZINC000035601465	175158949	/nfs/dbraw/zinc/15/89/49/175158949.db2.gz	GQVFZUBUECYXIM-QMMMGPOBSA-N	1	0	211.261	0.871	10	10		BCCERO
COc1ccccc1NC[C@H](O)CC[NH3+]	ZINC000071512253	175337578	/nfs/dbraw/zinc/33/75/78/175337578.db2.gz	AAZYYYKDVICRFK-SECBINFHSA-N	1	0	210.277	0.817	10	10		BCCERO
C[N+](C)(C)c1ccc(OC[C@@H](O)CO)cc1	ZINC000001851666	717091047	/nfs/dbraw/zinc/09/10/47/717091047.db2.gz	SKQIOTQBMNKERT-NSHDSACASA-N	1	0	226.296	0.615	10	10		BCCERO
N=[N+]=CC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000096288845	181207954	/nfs/dbraw/zinc/20/79/54/181207954.db2.gz	CSYGDTLQKAZAGB-UHFFFAOYSA-N	1	0	244.230	0.552	10	10		BCCERO
NC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000042879774	181226027	/nfs/dbraw/zinc/22/60/27/181226027.db2.gz	KHWZZBHBMHYGDY-UHFFFAOYSA-N	1	0	238.243	0.086	10	10		BCCERO
NC(=O)C[N@@H+](Cc1ccc(N)cc1)CC1CC1	ZINC000036765453	181229205	/nfs/dbraw/zinc/22/92/05/181229205.db2.gz	IBXWIOMTTXUBBD-UHFFFAOYSA-N	1	0	233.315	0.966	10	10		BCCERO
Oc1ccc(C[NH2+]C[C@H]2COCCO2)cc1O	ZINC000037998115	183270692	/nfs/dbraw/zinc/27/06/92/183270692.db2.gz	WICYQNFTVXMGFL-JTQLQIEISA-N	1	0	239.271	0.603	10	10		BCCERO
COc1cc(F)cc([C@@H]([NH3+])CN)c1O	ZINC000072200564	384816123	/nfs/dbraw/zinc/81/61/23/384816123.db2.gz	LQNVESGUTRQLHP-ZETCQYMHSA-N	1	0	200.213	0.498	10	10		BCCERO
COc1cc(O)c([C@H]([NH3+])CO)c(OC)c1	ZINC000072198194	384811139	/nfs/dbraw/zinc/81/11/39/384811139.db2.gz	ULVAYJYIKCPYIJ-SSDOTTSWSA-N	1	0	213.233	0.402	10	10		BCCERO
[NH3+]Cc1ccc(N2CCNC(=O)C2)c(Cl)c1	ZINC000062792807	132388307	/nfs/dbraw/zinc/38/83/07/132388307.db2.gz	NKDIPUYNFONFPS-UHFFFAOYSA-N	1	0	239.706	0.735	10	10		BCCERO
C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(N)=O	ZINC000035650796	132338866	/nfs/dbraw/zinc/33/88/66/132338866.db2.gz	BCMKULGIQTYZNF-JTQLQIEISA-N	1	0	249.314	0.349	10	10		BCCERO
CC[NH2+]Cc1ccc(N(C)CC(=O)NC)cc1	ZINC000037271326	170126878	/nfs/dbraw/zinc/12/68/78/170126878.db2.gz	CYZWTZFNPRIOPX-UHFFFAOYSA-N	1	0	235.331	0.978	10	10		BCCERO
Cn1ccc(/C=C/[NH+](C)C)c([N+](=O)[O-])c1=O	ZINC000095348037	172350730	/nfs/dbraw/zinc/35/07/30/172350730.db2.gz	LGJTWTMNNOATLQ-GQCTYLIASA-N	1	0	223.232	0.826	10	10		BCCERO
CN(C)C(=O)C[NH2+]Cc1cccc(O)c1O	ZINC000041049412	172369764	/nfs/dbraw/zinc/36/97/64/172369764.db2.gz	VBGLUNKIUADKRI-UHFFFAOYSA-N	1	0	224.260	0.276	10	10		BCCERO
CNC(=O)[C@H](C)[N@H+](C)Cc1ccc(N)cc1	ZINC000035360539	173301953	/nfs/dbraw/zinc/30/19/53/173301953.db2.gz	UWEYIHMNODMBJW-VIFPVBQESA-N	1	0	221.304	0.835	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1ccccc1O	ZINC000042560218	173302772	/nfs/dbraw/zinc/30/27/72/173302772.db2.gz	CTGSUVAOQQDMIN-QMMMGPOBSA-N	1	0	208.261	0.616	10	10		BCCERO
CNC(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O	ZINC000042561026	173303309	/nfs/dbraw/zinc/30/33/09/173303309.db2.gz	DZEZFNZQMXWRNC-QMMMGPOBSA-N	1	0	238.287	0.625	10	10		BCCERO
C[NH2+]C[C@@H](O)c1cc(O)c(O)cc1F	ZINC000011422475	173365520	/nfs/dbraw/zinc/36/55/20/173365520.db2.gz	DKBXREAGJFVVAP-SECBINFHSA-N	1	0	201.197	0.490	10	10		BCCERO
C[NH2+][C@@H]1CCc2c(O)c(O)ccc2[C@H]1O	ZINC000039096957	173438709	/nfs/dbraw/zinc/43/87/09/173438709.db2.gz	VJBMHARWYAGTQQ-PSASIEDQSA-N	1	0	209.245	0.665	10	10		BCCERO
COc1ccc(N(C)C[C@H](O)CC[NH3+])cc1	ZINC000077337151	175136609	/nfs/dbraw/zinc/13/66/09/175136609.db2.gz	LWTBGOOPIZFQGA-LLVKDONJSA-N	1	0	224.304	0.841	10	10		BCCERO
COc1ccc(O)c(C[NH2+]C[C@@H](C)O)c1	ZINC000035601466	175159479	/nfs/dbraw/zinc/15/94/79/175159479.db2.gz	GQVFZUBUECYXIM-MRVPVSSYSA-N	1	0	211.261	0.871	10	10		BCCERO
O=C1NCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000050395412	643698355	/nfs/dbraw/zinc/69/83/55/643698355.db2.gz	UKZZTCCHAMOAQK-GFCCVEGCSA-N	1	0	246.310	0.990	10	10		BCCERO
O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000706726525	712153199	/nfs/dbraw/zinc/15/31/99/712153199.db2.gz	CGVYIMRJEYVOHB-STQMWFEESA-N	1	0	249.310	0.861	10	10		BCCERO
Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1O	ZINC000706720918	712153496	/nfs/dbraw/zinc/15/34/96/712153496.db2.gz	BZZWSXQSCZTJLJ-NEPJUHHUSA-N	1	0	237.299	0.940	10	10		BCCERO