smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C2CC2)c1	ZINC000071300993	178802794	/nfs/dbraw/zinc/80/27/94/178802794.db2.gz	SNMQJMKCXHUTSN-QMTHXVAHSA-N	0	3	235.327	2.122	10	10		BECEHN
Cc1ccc(Br)c([C@@H]([NH3+])CF)c1[O-]	ZINC000238532007	345071307	/nfs/dbraw/zinc/07/13/07/345071307.db2.gz	MAZFIUIAORBNSM-ZETCQYMHSA-N	0	3	248.095	2.432	10	10		BECEHN
Cc1cccc(CN2CCO[C@H]3CCC[C@@H]32)c1O	ZINC000124561012	179079361	/nfs/dbraw/zinc/07/93/61/179079361.db2.gz	POIFVGYWXHJZBJ-KBPBESRZSA-N	0	3	247.338	2.454	10	10		BECEHN
Cc1cccc(C[N@@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1[O-]	ZINC000226379620	179084126	/nfs/dbraw/zinc/08/41/26/179084126.db2.gz	RHNPZSVRRYSPRG-JSGCOSHPSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[N@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1[O-]	ZINC000226379620	179084128	/nfs/dbraw/zinc/08/41/28/179084128.db2.gz	RHNPZSVRRYSPRG-JSGCOSHPSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1[O-]	ZINC000124703832	179100474	/nfs/dbraw/zinc/10/04/74/179100474.db2.gz	UYFQDPPOLHJHSW-YPMHNXCESA-N	0	3	235.327	2.358	10	10		BECEHN
Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1[O-]	ZINC000124815723	179101778	/nfs/dbraw/zinc/10/17/78/179101778.db2.gz	QHQJOAWDEDELMV-QWHCGFSZSA-N	0	3	235.327	2.094	10	10		BECEHN
Oc1ccccc1CN1CCO[C@H]2CCC[C@@H]21	ZINC000132761331	358736242	/nfs/dbraw/zinc/73/62/42/358736242.db2.gz	RUDZBBYUMQICIX-JSGCOSHPSA-N	0	3	233.311	2.146	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cc(F)ccc1[O-]	ZINC000134243967	384344025	/nfs/dbraw/zinc/34/40/25/384344025.db2.gz	QWLADICNYORNAB-SBMIAAHKSA-N	0	3	239.290	2.359	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1	ZINC000217747100	385890789	/nfs/dbraw/zinc/89/07/89/385890789.db2.gz	UZMDIQFLHZXZGU-JSGCOSHPSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1	ZINC000217747100	385890790	/nfs/dbraw/zinc/89/07/90/385890790.db2.gz	UZMDIQFLHZXZGU-JSGCOSHPSA-N	0	3	248.370	2.083	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@H]1CCO[C@H]1C1CC1	ZINC000230316727	387261224	/nfs/dbraw/zinc/26/12/24/387261224.db2.gz	MUYCQTDVTVLDJI-JSGCOSHPSA-N	0	3	233.311	2.049	10	10		BECEHN
CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])[C@H]2CCO[C@H]21	ZINC000229012462	134437115	/nfs/dbraw/zinc/43/71/15/134437115.db2.gz	AVXKSXVKZQUNDO-MRVWCRGKSA-N	0	3	247.338	2.295	10	10		BECEHN
CC(C)OCCC[NH2+]Cc1cccc(O)c1[O-]	ZINC000041116695	167222826	/nfs/dbraw/zinc/22/28/26/167222826.db2.gz	JUFYEYGMTUCBNM-UHFFFAOYSA-N	0	3	239.315	2.003	10	10		BECEHN
CC(C)[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-]	ZINC000020523307	167381608	/nfs/dbraw/zinc/38/16/08/167381608.db2.gz	UHXNGWYAJWIJKX-SECBINFHSA-N	0	3	209.289	2.232	10	10		BECEHN
CC1CC([NH2+]Cc2cc3c(cc2[O-])OCO3)C1	ZINC000135563512	168147147	/nfs/dbraw/zinc/14/71/47/168147147.db2.gz	DRZRRFMJTJKVRV-UHFFFAOYSA-N	0	3	235.283	2.009	10	10		BECEHN
CCOCCC[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000019962982	170381251	/nfs/dbraw/zinc/38/12/51/170381251.db2.gz	RQHOFCMKSQSMHG-JTQLQIEISA-N	0	3	239.315	2.175	10	10		BECEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1	ZINC000052270637	175160308	/nfs/dbraw/zinc/16/03/08/175160308.db2.gz	XASUFKCOHVUPMO-VDDIYKPWSA-N	0	3	221.300	2.460	10	10		BECEHN
COc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1[O-]	ZINC000003705246	175296781	/nfs/dbraw/zinc/29/67/81/175296781.db2.gz	HXAWLLXWDLNMJH-WCBMZHEXSA-N	0	3	207.273	2.071	10	10		BECEHN
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1[O-]	ZINC000156075628	177280809	/nfs/dbraw/zinc/28/08/09/177280809.db2.gz	CIRLETGMTNOXEE-GXTWGEPZSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[O-]	ZINC000156075628	177280810	/nfs/dbraw/zinc/28/08/10/177280810.db2.gz	CIRLETGMTNOXEE-GXTWGEPZSA-N	0	3	246.354	2.061	10	10		BECEHN
CC(C)COc1ccc(N2CCNCC2)cc1	ZINC000019688462	535227242	/nfs/dbraw/zinc/22/72/42/535227242.db2.gz	WTCHFSROYLHHOK-UHFFFAOYSA-N	0	3	234.343	2.131	10	10		BECEHN
COc1ccc(N2CCN[C@H](C)C2)cc1Cl	ZINC000071550339	536705685	/nfs/dbraw/zinc/70/56/85/536705685.db2.gz	SKMQCAXKGIIJNB-SECBINFHSA-N	0	3	240.734	2.147	10	10		BECEHN
COc1ccc(O)c(CNCc2ccoc2)c1	ZINC000134650497	591945391	/nfs/dbraw/zinc/94/53/91/591945391.db2.gz	BLYIJCLCDAMRJX-UHFFFAOYSA-N	0	3	233.267	2.284	10	10		BECEHN
COC[C@@H](C)C[N@H+](C)Cc1ccccc1[O-]	ZINC000132958173	645856803	/nfs/dbraw/zinc/85/68/03/645856803.db2.gz	NKKXXDWZSJRSDO-NSHDSACASA-N	0	3	223.316	2.107	10	10		BECEHN
COC[C@@H](C)C[N@@H+](C)Cc1ccccc1[O-]	ZINC000132958173	645856808	/nfs/dbraw/zinc/85/68/08/645856808.db2.gz	NKKXXDWZSJRSDO-NSHDSACASA-N	0	3	223.316	2.107	10	10		BECEHN
COCC1CC([NH2+][C@@H]2CCc3cccc([O-])c32)C1	ZINC000713981549	712475978	/nfs/dbraw/zinc/47/59/78/712475978.db2.gz	TWOCZMPYNHAPAU-KGPNIALWSA-N	0	3	247.338	2.394	10	10		BECEHN
Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1[O-]	ZINC000124833438	179094466	/nfs/dbraw/zinc/09/44/66/179094466.db2.gz	AMUUFIXWXAMKMO-TZMCWYRMSA-N	0	3	249.354	2.341	10	10		BECEHN
Cc1cccc(CNCc2ccncc2)c1O	ZINC000083356166	179096806	/nfs/dbraw/zinc/09/68/06/179096806.db2.gz	YXYPZLCYMDFNIO-UHFFFAOYSA-N	0	3	228.295	2.385	10	10		BECEHN
Cc1cccc(C[NH2+]Cc2ccncc2)c1[O-]	ZINC000083356166	179096807	/nfs/dbraw/zinc/09/68/07/179096807.db2.gz	YXYPZLCYMDFNIO-UHFFFAOYSA-N	0	3	228.295	2.385	10	10		BECEHN
Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1[O-]	ZINC000124704220	179100695	/nfs/dbraw/zinc/10/06/95/179100695.db2.gz	UYFQDPPOLHJHSW-DGCLKSJQSA-N	0	3	235.327	2.358	10	10		BECEHN
COc1ccc([C@@H](C)[NH2+]C(C)C)c([O-])c1	ZINC000020085546	188351408	/nfs/dbraw/zinc/35/14/08/188351408.db2.gz	NRYHITMJUAARHW-SECBINFHSA-N	0	3	209.289	2.460	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1	ZINC000190336800	357701260	/nfs/dbraw/zinc/70/12/60/357701260.db2.gz	LESFUOJCEOUOSC-NFAWXSAZSA-N	0	3	247.338	2.358	10	10		BECEHN
C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCO1	ZINC000226584561	386337448	/nfs/dbraw/zinc/33/74/48/386337448.db2.gz	CXDAKJQUAHJQPX-TVQRCGJNSA-N	0	3	239.290	2.188	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1	ZINC000369214509	387034355	/nfs/dbraw/zinc/03/43/55/387034355.db2.gz	LFRRRYHMZMXKLD-GXTWGEPZSA-N	0	3	247.338	2.311	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+]2CCC[C@H]3COC[C@H]32)c1	ZINC000369214509	387034359	/nfs/dbraw/zinc/03/43/59/387034359.db2.gz	LFRRRYHMZMXKLD-GXTWGEPZSA-N	0	3	247.338	2.311	10	10		BECEHN
COc1ccc([C@H]([NH3+])CC(F)F)c([O-])c1	ZINC000575437276	387107078	/nfs/dbraw/zinc/10/70/78/387107078.db2.gz	CERYERXEIPEJDX-MRVPVSSYSA-N	0	3	217.215	2.056	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1	ZINC000230316097	387261812	/nfs/dbraw/zinc/26/18/12/387261812.db2.gz	PWFQNVAPYKHMRD-UKRRQHHQSA-N	0	3	247.338	2.358	10	10		BECEHN
CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1[O-]	ZINC000367713017	388567449	/nfs/dbraw/zinc/56/74/49/388567449.db2.gz	PGTWBHAFMUPIOK-FQUUOJAGSA-N	0	3	247.338	2.325	10	10		BECEHN
CCCCN1CCN(c2ccc(N)cc2)CC1	ZINC000008030939	132318584	/nfs/dbraw/zinc/31/85/84/132318584.db2.gz	UFVUOUCMEATLAN-UHFFFAOYSA-N	0	3	233.359	2.191	10	10		BECEHN
Cc1cc(N2CCNCC2)ccc1OCC1CC1	ZINC000063063278	132388422	/nfs/dbraw/zinc/38/84/22/132388422.db2.gz	CPOVVHJPKMQFLU-UHFFFAOYSA-N	0	3	246.354	2.193	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1	ZINC000249781436	135045269	/nfs/dbraw/zinc/04/52/69/135045269.db2.gz	LESFUOJCEOUOSC-GZBFAFLISA-N	0	3	247.338	2.358	10	10		BECEHN
COc1ccc(C[NH2+]C2CCCC2)c([O-])c1	ZINC000040905608	175105746	/nfs/dbraw/zinc/10/57/46/175105746.db2.gz	OKCZHQQNIVPYLN-UHFFFAOYSA-N	0	3	221.300	2.433	10	10		BECEHN
COc1ccc(C[NH2+]Cc2cccnc2)c([O-])c1	ZINC000040905960	175107994	/nfs/dbraw/zinc/10/79/94/175107994.db2.gz	SCJYBPUDWUZYTD-UHFFFAOYSA-N	0	3	244.294	2.086	10	10		BECEHN
COc1cccc(C[NH2+]C(C)(C)C)c1[O-]	ZINC000021960142	175262954	/nfs/dbraw/zinc/26/29/54/175262954.db2.gz	AWJRSCDMXXICGD-UHFFFAOYSA-N	0	3	209.289	2.289	10	10		BECEHN
C[C@@H]1CN(CCCc2ccc(N)cc2)C[C@@H](C)O1	ZINC000058267406	176289480	/nfs/dbraw/zinc/28/94/80/176289480.db2.gz	WZHUIGKWESKDTF-CHWSQXEVSA-N	0	3	248.370	2.311	10	10		BECEHN
C[C@H]1CCC[C@](CO)([NH2+]Cc2ccccc2[O-])C1	ZINC000053115639	177143379	/nfs/dbraw/zinc/14/33/79/177143379.db2.gz	MXMTUVUOVLKPPM-WFASDCNBSA-N	0	3	249.354	2.423	10	10		BECEHN
C[C@@H]1CN(CCCc2ccc(N)cc2)C[C@H](C)O1	ZINC000058267401	177250295	/nfs/dbraw/zinc/25/02/95/177250295.db2.gz	WZHUIGKWESKDTF-BETUJISGSA-N	0	3	248.370	2.311	10	10		BECEHN
CCN(CC)c1ccc(CNC2(CO)CC2)cc1	ZINC000120396511	589409562	/nfs/dbraw/zinc/40/95/62/589409562.db2.gz	UXLBQIVVBIKBBF-UHFFFAOYSA-N	0	3	248.370	2.147	10	10		BECEHN
COC[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-]	ZINC000132564794	591720313	/nfs/dbraw/zinc/72/03/13/591720313.db2.gz	OWSLUHGNOJXKKZ-VIFPVBQESA-N	0	3	243.734	2.479	10	10		BECEHN
CC(C)[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2	ZINC000042879655	637391146	/nfs/dbraw/zinc/39/11/46/637391146.db2.gz	ZQFKCZWVHKMSIK-VIFPVBQESA-N	0	3	237.299	2.255	10	10		BECEHN
CCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-]	ZINC000044688679	640450397	/nfs/dbraw/zinc/45/03/97/640450397.db2.gz	PDIYSYCEVSBZRQ-MNOVXSKESA-N	0	3	223.316	2.468	10	10		BECEHN
CCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-]	ZINC000044688681	643548038	/nfs/dbraw/zinc/54/80/38/643548038.db2.gz	PDIYSYCEVSBZRQ-QWRGUYRKSA-N	0	3	223.316	2.468	10	10		BECEHN
CC[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1[O-]	ZINC000705187815	712125609	/nfs/dbraw/zinc/12/56/09/712125609.db2.gz	RDNQDNQMYNGAHF-GCZXYKMCSA-N	0	3	235.327	2.204	10	10		BECEHN
COc1ccc(CN[C@H]2CCO[C@H]2C)cc1C	ZINC000120837747	187294382	/nfs/dbraw/zinc/29/43/82/187294382.db2.gz	NXFQXZZAQMYTMT-AAEUAGOBSA-N	0	3	235.327	2.271	10	10		BECEHN
CN(C)c1ccc([C@H](N)CF)c(Cl)c1	ZINC000238314933	345021322	/nfs/dbraw/zinc/02/13/22/345021322.db2.gz	YXLVXGUWECWIMU-SNVBAGLBSA-N	0	3	216.687	2.375	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1[O-]	ZINC000124815001	179098980	/nfs/dbraw/zinc/09/89/80/179098980.db2.gz	QHQJOAWDEDELMV-OLZOCXBDSA-N	0	3	235.327	2.094	10	10		BECEHN
[O-]c1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O	ZINC000077205535	183304073	/nfs/dbraw/zinc/30/40/73/183304073.db2.gz	XCKVJFRDENGUBL-TZMCWYRMSA-N	0	3	235.327	2.033	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[O-]	ZINC000134236811	384341072	/nfs/dbraw/zinc/34/10/72/384341072.db2.gz	WLJRWYKTQJNOSY-JBLDHEPKSA-N	0	3	221.300	2.220	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1	ZINC000131461091	385337064	/nfs/dbraw/zinc/33/70/64/385337064.db2.gz	UZMDIQFLHZXZGU-TZMCWYRMSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1	ZINC000131461091	385337070	/nfs/dbraw/zinc/33/70/70/385337070.db2.gz	UZMDIQFLHZXZGU-TZMCWYRMSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1	ZINC000230316099	387260927	/nfs/dbraw/zinc/26/09/27/387260927.db2.gz	PWFQNVAPYKHMRD-DZGCQCFKSA-N	0	3	247.338	2.358	10	10		BECEHN
C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000296946167	388426175	/nfs/dbraw/zinc/42/61/75/388426175.db2.gz	QPRQCCBWWICCPC-DLOVCJGASA-N	0	3	233.311	2.147	10	10		BECEHN
CC[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-]	ZINC000040905605	171343339	/nfs/dbraw/zinc/34/33/39/171343339.db2.gz	QPVBUGNWCRXHNZ-VIFPVBQESA-N	0	3	209.289	2.289	10	10		BECEHN
CNCc1cc(F)c(N(C)C2CC2)c(F)c1	ZINC000062710140	173387215	/nfs/dbraw/zinc/38/72/15/173387215.db2.gz	PPHBDPFVAKWALY-UHFFFAOYSA-N	0	3	226.270	2.283	10	10		BECEHN
CC[C@@H]([NH3+])c1cc(Cl)cc(OC)c1[O-]	ZINC000757142815	582523031	/nfs/dbraw/zinc/52/30/31/582523031.db2.gz	DEHAUCFBTJNIOP-MRVPVSSYSA-N	0	3	215.680	2.464	10	10		BECEHN
Cc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1[O-]	ZINC000124694905	590075744	/nfs/dbraw/zinc/07/57/44/590075744.db2.gz	WYWWKEFQQZMUKE-ZDUSSCGKSA-N	0	3	235.327	2.359	10	10		BECEHN
COC[C@H](C)C[N@H+](C)Cc1ccccc1[O-]	ZINC000132958409	645857144	/nfs/dbraw/zinc/85/71/44/645857144.db2.gz	NKKXXDWZSJRSDO-LLVKDONJSA-N	0	3	223.316	2.107	10	10		BECEHN
COC[C@H](C)C[N@@H+](C)Cc1ccccc1[O-]	ZINC000132958409	645857146	/nfs/dbraw/zinc/85/71/46/645857146.db2.gz	NKKXXDWZSJRSDO-LLVKDONJSA-N	0	3	223.316	2.107	10	10		BECEHN
COc1ccc(C[NH2+][C@H](C)C2CC2)c([O-])c1	ZINC000040906145	1171157200	/nfs/dbraw/zinc/15/72/00/1171157200.db2.gz	ZFQVHUNRWGPDGB-SECBINFHSA-N	0	3	221.300	2.289	10	10		BECEHN
Cc1cc(CNCCO)c(C)n1-c1ccccc1	ZINC000036923325	178021292	/nfs/dbraw/zinc/02/12/92/178021292.db2.gz	AVRVEAXDWLWIHW-UHFFFAOYSA-N	0	3	244.338	2.176	10	10		BECEHN
CC(C)[C@H](CN(C)C)[NH2+]Cc1ccccc1[O-]	ZINC000049195479	187270594	/nfs/dbraw/zinc/27/05/94/187270594.db2.gz	GDDCEMVBPCHARH-ZDUSSCGKSA-N	0	3	236.359	2.068	10	10		BECEHN
Cc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1[O-]	ZINC000369212714	179077527	/nfs/dbraw/zinc/07/75/27/179077527.db2.gz	COOCAWAOUFCIHH-UONOGXRCSA-N	0	3	247.338	2.311	10	10		BECEHN
Cc1cccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1[O-]	ZINC000369212714	179077529	/nfs/dbraw/zinc/07/75/29/179077529.db2.gz	COOCAWAOUFCIHH-UONOGXRCSA-N	0	3	247.338	2.311	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1	ZINC000077204184	191006076	/nfs/dbraw/zinc/00/60/76/191006076.db2.gz	YUCCZJZUFGMHCE-TZMCWYRMSA-N	0	3	249.354	2.341	10	10		BECEHN
Cc1nccc(CN[C@@H](C)c2ccccc2O)n1	ZINC000038037465	180190585	/nfs/dbraw/zinc/19/05/85/180190585.db2.gz	XQPBAEPOJUUODA-JTQLQIEISA-N	0	3	243.310	2.341	10	10		BECEHN
CNCc1ccc(N2CCC2)cc1Cl	ZINC000307535967	353081933	/nfs/dbraw/zinc/08/19/33/353081933.db2.gz	KITYFLFYHGHIEY-UHFFFAOYSA-N	0	3	210.708	2.270	10	10		BECEHN
CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2	ZINC000231673447	353641981	/nfs/dbraw/zinc/64/19/81/353641981.db2.gz	ZECVCCDJVOXABT-MWLCHTKSSA-N	0	3	249.310	2.399	10	10		BECEHN
Oc1ccccc1CN1CCO[C@@H]2CCC[C@@H]21	ZINC000132761561	358736385	/nfs/dbraw/zinc/73/63/85/358736385.db2.gz	RUDZBBYUMQICIX-GXTWGEPZSA-N	0	3	233.311	2.146	10	10		BECEHN
[O-]c1c(O)cccc1C[NH2+]CCc1ccsc1	ZINC000042600237	183288895	/nfs/dbraw/zinc/28/88/95/183288895.db2.gz	XMQAGMLCZDTFPO-UHFFFAOYSA-N	0	3	249.335	2.492	10	10		BECEHN
[O-]c1ccccc1C[N@@H+]1CCC[C@H]2COC[C@H]21	ZINC000368528183	183300986	/nfs/dbraw/zinc/30/09/86/183300986.db2.gz	OJGTULFRMMYFCY-QWHCGFSZSA-N	0	3	233.311	2.003	10	10		BECEHN
[O-]c1ccccc1C[N@H+]1CCC[C@H]2COC[C@H]21	ZINC000368528183	183300991	/nfs/dbraw/zinc/30/09/91/183300991.db2.gz	OJGTULFRMMYFCY-QWHCGFSZSA-N	0	3	233.311	2.003	10	10		BECEHN
Cc1ccc([C@@H]([NH3+])CC(F)F)c([O-])c1	ZINC000575437753	387110498	/nfs/dbraw/zinc/11/04/98/387110498.db2.gz	SJOWIRQCJLLISO-QMMMGPOBSA-N	0	3	201.216	2.356	10	10		BECEHN
Cc1cc(F)cc([C@H]([NH3+])CCF)c1[O-]	ZINC000575439473	387123908	/nfs/dbraw/zinc/12/39/08/387123908.db2.gz	NGAVBSRXXWNGBR-SECBINFHSA-N	0	3	201.216	2.199	10	10		BECEHN
COc1ccc([O-])c([C@@H]([NH3+])CC(F)F)c1	ZINC000575437390	388621370	/nfs/dbraw/zinc/62/13/70/388621370.db2.gz	DOWDVACPPYSQQW-QMMMGPOBSA-N	0	3	217.215	2.056	10	10		BECEHN
Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)c([O-])c1	ZINC000091538894	388766863	/nfs/dbraw/zinc/76/68/63/388766863.db2.gz	BFBRQIRBNAUQMO-UNXYVOJBSA-N	0	3	235.327	2.122	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1	ZINC000249781432	135045601	/nfs/dbraw/zinc/04/56/01/135045601.db2.gz	LESFUOJCEOUOSC-GUTXKFCHSA-N	0	3	247.338	2.358	10	10		BECEHN
CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-]	ZINC000076274256	170125416	/nfs/dbraw/zinc/12/54/16/170125416.db2.gz	FOPMKPNGUTWMIK-UHFFFAOYSA-N	0	3	215.680	2.164	10	10		BECEHN
CCOCCC[NH2+][C@@H](C)c1ccc(O)cc1[O-]	ZINC000019962943	170381110	/nfs/dbraw/zinc/38/11/10/170381110.db2.gz	VMESZSSXGFZSLC-JTQLQIEISA-N	0	3	239.315	2.175	10	10		BECEHN
CNCc1cc(F)c(N2CCCC2)c(F)c1	ZINC000062708946	173386906	/nfs/dbraw/zinc/38/69/06/173386906.db2.gz	UBMHSJIWDHMLPN-UHFFFAOYSA-N	0	3	226.270	2.284	10	10		BECEHN
COCC[NH2+]Cc1c([O-])ccc2ccccc21	ZINC000019881260	174335010	/nfs/dbraw/zinc/33/50/10/174335010.db2.gz	PHUQYESHELZZJZ-UHFFFAOYSA-N	0	3	231.295	2.281	10	10		BECEHN
COc1ccc(C[NH2+]C2CCC2)c([O-])c1	ZINC000052208774	175105281	/nfs/dbraw/zinc/10/52/81/175105281.db2.gz	FZIRRRIZWNEABR-UHFFFAOYSA-N	0	3	207.273	2.043	10	10		BECEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1	ZINC000052270634	175160702	/nfs/dbraw/zinc/16/07/02/175160702.db2.gz	XASUFKCOHVUPMO-AUTRQRHGSA-N	0	3	221.300	2.460	10	10		BECEHN
C[C@@H]1CCC[C@](CO)([NH2+]Cc2ccccc2[O-])C1	ZINC000053115636	176152498	/nfs/dbraw/zinc/15/24/98/176152498.db2.gz	MXMTUVUOVLKPPM-DOMZBBRYSA-N	0	3	249.354	2.423	10	10		BECEHN
C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCS1	ZINC000180069799	177260431	/nfs/dbraw/zinc/26/04/31/177260431.db2.gz	QKYJWCHIZDCMAW-VIFPVBQESA-N	0	3	241.331	2.469	10	10		BECEHN
C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCS1	ZINC000180069799	177260432	/nfs/dbraw/zinc/26/04/32/177260432.db2.gz	QKYJWCHIZDCMAW-VIFPVBQESA-N	0	3	241.331	2.469	10	10		BECEHN
C[C@H]1C[N@H+](Cc2ccccc2[O-])CCS1	ZINC000179569761	177266954	/nfs/dbraw/zinc/26/69/54/177266954.db2.gz	JPXDIHHDZMMILU-JTQLQIEISA-N	0	3	223.341	2.330	10	10		BECEHN
C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCS1	ZINC000179569761	177266956	/nfs/dbraw/zinc/26/69/56/177266956.db2.gz	JPXDIHHDZMMILU-JTQLQIEISA-N	0	3	223.341	2.330	10	10		BECEHN
CC[C@@H](C)N1CCN(c2ccc(N)cc2)CC1	ZINC000011756035	535566238	/nfs/dbraw/zinc/56/62/38/535566238.db2.gz	PIQNUMJYSNGQRD-GFCCVEGCSA-N	0	3	233.359	2.189	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1[O-]	ZINC000127876349	590824003	/nfs/dbraw/zinc/82/40/03/590824003.db2.gz	PTFNZYGMWWCBIQ-CHWSQXEVSA-N	0	3	235.327	2.094	10	10		BECEHN
COc1ccc(CNCc2ccoc2)c(O)c1	ZINC000134227199	591902800	/nfs/dbraw/zinc/90/28/00/591902800.db2.gz	JQCPZCUDAKQXRO-UHFFFAOYSA-N	0	3	233.267	2.284	10	10		BECEHN
C[C@H]([NH2+]C1CSC1)c1ccccc1[O-]	ZINC000215965261	592000908	/nfs/dbraw/zinc/00/09/08/592000908.db2.gz	CUXZZHGYFSYDQA-QMMMGPOBSA-N	0	3	209.314	2.158	10	10		BECEHN
Cc1nccnc1[C@H](C)NCc1ccccc1O	ZINC000219125122	592211164	/nfs/dbraw/zinc/21/11/64/592211164.db2.gz	LOQPYNDACURZIS-NSHDSACASA-N	0	3	243.310	2.341	10	10		BECEHN
C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000308907560	631723613	/nfs/dbraw/zinc/72/36/13/631723613.db2.gz	PJGSHLZDDLRLIQ-IEBDPFPHSA-N	0	3	203.285	2.378	10	10		BECEHN
CC[NH+](CC)Cc1ccc(NC(C)=O)cc1[O-]	ZINC000036456990	343005381	/nfs/dbraw/zinc/00/53/81/343005381.db2.gz	USKVVSHKVGPAHH-UHFFFAOYSA-N	0	3	236.315	2.192	10	10		BECEHN
COc1ccc(C[NH2+]CC(C)C)c([O-])c1	ZINC000040905607	343410678	/nfs/dbraw/zinc/41/06/78/343410678.db2.gz	MNPUSQXRVPWHDC-UHFFFAOYSA-N	0	3	209.289	2.146	10	10		BECEHN
CC(C)[C@H](C)[NH2+]Cc1cccc(O)c1[O-]	ZINC000041049406	187291059	/nfs/dbraw/zinc/29/10/59/187291059.db2.gz	GUNGAERPJNDWBS-VIFPVBQESA-N	0	3	209.289	2.232	10	10		BECEHN
Cc1cc(CN)c([N+](=O)[O-])cc1N1CCCCC1	ZINC000196859478	348042854	/nfs/dbraw/zinc/04/28/54/348042854.db2.gz	DDEGNKVWLYNUCB-UHFFFAOYSA-N	0	3	249.314	2.352	10	10		BECEHN
NCc1ccc(Sc2nccs2)nc1	ZINC000040677107	373594167	/nfs/dbraw/zinc/59/41/67/373594167.db2.gz	WXCMIPMPBDMRFU-UHFFFAOYSA-N	0	3	223.326	2.148	10	10		BECEHN
[O-]c1c(O)cccc1C[NH2+]CC1CCCC1	ZINC000041049413	183290073	/nfs/dbraw/zinc/29/00/73/183290073.db2.gz	SYYLPPYMMAAKAM-UHFFFAOYSA-N	0	3	221.300	2.378	10	10		BECEHN
CCC[C@@H](C)N(C)CC(=O)Nc1ccc(N)cc1	ZINC000036789812	169364402	/nfs/dbraw/zinc/36/44/02/169364402.db2.gz	ZDVVSLYOQURWSD-LLVKDONJSA-N	0	3	249.358	2.328	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1[O-]	ZINC000134236852	384340076	/nfs/dbraw/zinc/34/00/76/384340076.db2.gz	WLJRWYKTQJNOSY-NHCYSSNCSA-N	0	3	221.300	2.220	10	10		BECEHN
Cc1n[n-][n+](C)c1N=Nc1ccc(N(C)C)cc1	ZINC000096331931	384452190	/nfs/dbraw/zinc/45/21/90/384452190.db2.gz	HBFNCLZUMVPLQX-CCEZHUSRSA-O	0	3	245.310	2.024	10	10		BECEHN
NCc1ccnc(Sc2nccs2)c1	ZINC000040677106	388424570	/nfs/dbraw/zinc/42/45/70/388424570.db2.gz	JLXXSBFKNKPGAD-UHFFFAOYSA-N	0	3	223.326	2.148	10	10		BECEHN
C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000296946181	388426130	/nfs/dbraw/zinc/42/61/30/388426130.db2.gz	QPRQCCBWWICCPC-WCQGTBRESA-N	0	3	233.311	2.147	10	10		BECEHN
CC(C)OCCC[NH2+]Cc1ccc(O)cc1[O-]	ZINC000020197955	167222594	/nfs/dbraw/zinc/22/25/94/167222594.db2.gz	NSWVIRZZJDPFCK-UHFFFAOYSA-N	0	3	239.315	2.003	10	10		BECEHN
CCn1ccnc1Nc1ccc(N)cc1	ZINC000050608105	172227176	/nfs/dbraw/zinc/22/71/76/172227176.db2.gz	DHSKOGZBKSWDFL-UHFFFAOYSA-N	0	3	202.261	2.229	10	10		BECEHN
COc1ccc(C[NH2+]C(C)(C)C)c([O-])c1	ZINC000040905573	175105893	/nfs/dbraw/zinc/10/58/93/175105893.db2.gz	YJLIIYRJHWHPEA-UHFFFAOYSA-N	0	3	209.289	2.289	10	10		BECEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1	ZINC000052270632	175159808	/nfs/dbraw/zinc/15/98/08/175159808.db2.gz	XASUFKCOHVUPMO-PTRXPTGYSA-N	0	3	221.300	2.460	10	10		BECEHN
C[C@H](c1cc(Cl)ccc1[O-])N1CC[NH2+]CC1	ZINC000076817252	177031631	/nfs/dbraw/zinc/03/16/31/177031631.db2.gz	KWZXFSIZHHIJSE-SECBINFHSA-N	0	3	240.734	2.012	10	10		BECEHN
CCOCCNCc1ccc2c(c1)CCCN2C	ZINC000050286533	535625793	/nfs/dbraw/zinc/62/57/93/535625793.db2.gz	KGXNGUFUORIFOG-UHFFFAOYSA-N	0	3	248.370	2.195	10	10		BECEHN
CCN1CCC[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1	ZINC000124730926	590079434	/nfs/dbraw/zinc/07/94/34/590079434.db2.gz	JHUFUGOGXUMLMD-CQSZACIVSA-N	0	3	248.370	2.275	10	10		BECEHN
COCCNC/C=C\c1ccc(N(C)C)cc1	ZINC000212327032	591352541	/nfs/dbraw/zinc/35/25/41/591352541.db2.gz	NDSJXUCCAPQLOM-PLNGDYQASA-N	0	3	234.343	2.002	10	10		BECEHN
COC1CC([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1	ZINC000230675988	641079521	/nfs/dbraw/zinc/07/95/21/641079521.db2.gz	DVXZRJFRWAUOIZ-PUSIOWJLSA-N	0	3	239.290	2.359	10	10		BECEHN
COC1CC([NH2+][C@H](C)c2cc(F)ccc2[O-])C1	ZINC000230675994	641080743	/nfs/dbraw/zinc/08/07/43/641080743.db2.gz	DVXZRJFRWAUOIZ-MFAVDMRSSA-N	0	3	239.290	2.359	10	10		BECEHN
C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1[O-]	ZINC000071445270	398150788	/nfs/dbraw/zinc/15/07/88/398150788.db2.gz	ZRKTUDIGBQVFTP-YFKPBYRVSA-N	0	3	205.179	2.431	10	10		BECEHN
Cc1cc(Br)cc([C@H]([NH3+])CF)c1[O-]	ZINC000238462815	345053401	/nfs/dbraw/zinc/05/34/01/345053401.db2.gz	TXFKZGGDDQQTGF-MRVPVSSYSA-N	0	3	248.095	2.432	10	10		BECEHN
Cc1cccc(C[N@H+](C)C[C@H]2CCCO2)c1[O-]	ZINC000124529810	179066128	/nfs/dbraw/zinc/06/61/28/179066128.db2.gz	UYUXAZAGYLDULB-CYBMUJFWSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1cccc(C[N@@H+](C)C[C@H]2CCCO2)c1[O-]	ZINC000124529810	179066131	/nfs/dbraw/zinc/06/61/31/179066131.db2.gz	UYUXAZAGYLDULB-CYBMUJFWSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1[O-]	ZINC000135607325	179097480	/nfs/dbraw/zinc/09/74/80/179097480.db2.gz	YOZZROCXCOQYJU-ZIAGYGMSSA-N	0	3	249.354	2.484	10	10		BECEHN
CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1[O-]	ZINC000367713020	367090174	/nfs/dbraw/zinc/09/01/74/367090174.db2.gz	PGTWBHAFMUPIOK-YIYPIFLZSA-N	0	3	247.338	2.325	10	10		BECEHN
[O-]c1c(O)cccc1C[NH2+]CCc1ccccc1	ZINC000041116369	183289485	/nfs/dbraw/zinc/28/94/85/183289485.db2.gz	QUKSGHZYVVIINK-UHFFFAOYSA-N	0	3	243.306	2.430	10	10		BECEHN
CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1[O-]	ZINC000052270895	384727460	/nfs/dbraw/zinc/72/74/60/384727460.db2.gz	QFUKZBBNUFJRLH-MWLCHTKSSA-N	0	3	221.300	2.289	10	10		BECEHN
C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1	ZINC000226584554	386337750	/nfs/dbraw/zinc/33/77/50/386337750.db2.gz	CXDAKJQUAHJQPX-RNCFNFMXSA-N	0	3	239.290	2.188	10	10		BECEHN
Oc1ccccc1CN1CCO[C@@H]2CCC[C@H]21	ZINC000228143682	387079753	/nfs/dbraw/zinc/07/97/53/387079753.db2.gz	RUDZBBYUMQICIX-TZMCWYRMSA-N	0	3	233.311	2.146	10	10		BECEHN
COc1cccc([C@@H]([NH3+])CC(F)F)c1[O-]	ZINC000575437194	387105464	/nfs/dbraw/zinc/10/54/64/387105464.db2.gz	AGWSRDNWONNCPS-ZETCQYMHSA-N	0	3	217.215	2.056	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000187136552	387170007	/nfs/dbraw/zinc/17/00/07/387170007.db2.gz	QBCJSHQOGSTHAW-BZPMIXESSA-N	0	3	233.311	2.049	10	10		BECEHN
Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1[O-]	ZINC000224929104	134352329	/nfs/dbraw/zinc/35/23/29/134352329.db2.gz	HHSHYSCFQPLPJZ-DZGCQCFKSA-N	0	3	247.338	2.358	10	10		BECEHN
CC(C)[C@@H](C)[NH2+]Cc1cccc(O)c1[O-]	ZINC000041049405	167382044	/nfs/dbraw/zinc/38/20/44/167382044.db2.gz	GUNGAERPJNDWBS-SECBINFHSA-N	0	3	209.289	2.232	10	10		BECEHN
CC(C)[C@@H](C[NH2+]Cc1ccccc1[O-])N(C)C	ZINC000020145571	167399193	/nfs/dbraw/zinc/39/91/93/167399193.db2.gz	GPXNYKDJOVIEET-CYBMUJFWSA-N	0	3	236.359	2.068	10	10		BECEHN
C[C@H]([NH2+]CC1CC1)c1ccc(O)cc1[O-]	ZINC000019884842	176838433	/nfs/dbraw/zinc/83/84/33/176838433.db2.gz	NQQNMVOSWLPNOZ-QMMMGPOBSA-N	0	3	207.273	2.158	10	10		BECEHN
C[C@H]1CCC[C@@](CO)([NH2+]Cc2ccccc2[O-])C1	ZINC000053115633	177128011	/nfs/dbraw/zinc/12/80/11/177128011.db2.gz	MXMTUVUOVLKPPM-SWLSCSKDSA-N	0	3	249.354	2.423	10	10		BECEHN
COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-]	ZINC000132564994	591720789	/nfs/dbraw/zinc/72/07/89/591720789.db2.gz	OWSLUHGNOJXKKZ-SECBINFHSA-N	0	3	243.734	2.479	10	10		BECEHN
CN(C)c1ccc([C@@H](N)CF)c(Cl)c1	ZINC000238314329	345021209	/nfs/dbraw/zinc/02/12/09/345021209.db2.gz	YXLVXGUWECWIMU-JTQLQIEISA-N	0	3	216.687	2.375	10	10		BECEHN
CC1(C)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2	ZINC000134209296	345403610	/nfs/dbraw/zinc/40/36/10/345403610.db2.gz	NTFTWIWFKXFDKL-UHFFFAOYSA-N	0	3	249.310	2.495	10	10		BECEHN
CC1(C)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2	ZINC000134209296	345403614	/nfs/dbraw/zinc/40/36/14/345403614.db2.gz	NTFTWIWFKXFDKL-UHFFFAOYSA-N	0	3	249.310	2.495	10	10		BECEHN
Cc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1[O-]	ZINC000124529632	179065383	/nfs/dbraw/zinc/06/53/83/179065383.db2.gz	UYUXAZAGYLDULB-ZDUSSCGKSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1cccc(C[N@@H+](C)C[C@@H]2CCCO2)c1[O-]	ZINC000124529632	179065386	/nfs/dbraw/zinc/06/53/86/179065386.db2.gz	UYUXAZAGYLDULB-ZDUSSCGKSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)c1O	ZINC000124561292	179079768	/nfs/dbraw/zinc/07/97/68/179079768.db2.gz	POIFVGYWXHJZBJ-UONOGXRCSA-N	0	3	247.338	2.454	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1[O-]	ZINC000124703624	179095153	/nfs/dbraw/zinc/09/51/53/179095153.db2.gz	UYFQDPPOLHJHSW-AAEUAGOBSA-N	0	3	235.327	2.358	10	10		BECEHN
[O-]c1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000077205525	183303425	/nfs/dbraw/zinc/30/34/25/183303425.db2.gz	XCKVJFRDENGUBL-JSGCOSHPSA-N	0	3	235.327	2.033	10	10		BECEHN
C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCO1	ZINC000226584557	386335729	/nfs/dbraw/zinc/33/57/29/386335729.db2.gz	CXDAKJQUAHJQPX-ZANVPECISA-N	0	3	239.290	2.188	10	10		BECEHN
Cc1ccc([C@H]([NH3+])CC(F)F)c([O-])c1	ZINC000575437344	387107561	/nfs/dbraw/zinc/10/75/61/387107561.db2.gz	SJOWIRQCJLLISO-MRVPVSSYSA-N	0	3	201.216	2.356	10	10		BECEHN
COc1cccc([O-])c1[C@H]([NH3+])CC(F)F	ZINC000575437327	387107828	/nfs/dbraw/zinc/10/78/28/387107828.db2.gz	RWVJIFNLPITDRY-ZCFIWIBFSA-N	0	3	217.215	2.056	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12	ZINC000187136518	387169981	/nfs/dbraw/zinc/16/99/81/387169981.db2.gz	QBCJSHQOGSTHAW-YRGRVCCFSA-N	0	3	233.311	2.049	10	10		BECEHN
C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1[O-]	ZINC000071445271	388093255	/nfs/dbraw/zinc/09/32/55/388093255.db2.gz	ZRKTUDIGBQVFTP-RXMQYKEDSA-N	0	3	205.179	2.431	10	10		BECEHN
Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1	ZINC000367707067	388567507	/nfs/dbraw/zinc/56/75/07/388567507.db2.gz	LCFFQHSYUZOGHM-ZRJCITRHSA-N	0	3	247.338	2.244	10	10		BECEHN
CC(C)CCN1CCN(c2ccc(N)cc2)CC1	ZINC000011756042	132320373	/nfs/dbraw/zinc/32/03/73/132320373.db2.gz	PEGJZIPEIMSNIS-UHFFFAOYSA-N	0	3	247.386	2.437	10	10		BECEHN
Cc1cc(N2CCNCC2)ccc1OC(C)C	ZINC000063063264	132388532	/nfs/dbraw/zinc/38/85/32/132388532.db2.gz	KGFSGFKBOOOWHI-UHFFFAOYSA-N	0	3	234.343	2.192	10	10		BECEHN
CN1CCC(Nc2c(N)cccc2Cl)CC1	ZINC000037267288	172997266	/nfs/dbraw/zinc/99/72/66/172997266.db2.gz	UTEARHVRKOGKMV-UHFFFAOYSA-N	0	3	239.750	2.428	10	10		BECEHN
COc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1C	ZINC000120837267	175109997	/nfs/dbraw/zinc/10/99/97/175109997.db2.gz	NXFQXZZAQMYTMT-DGCLKSJQSA-N	0	3	235.327	2.271	10	10		BECEHN
COc1ccc([C@@H]([NH3+])c2ccccc2)c([O-])c1	ZINC000021966796	175180137	/nfs/dbraw/zinc/18/01/37/175180137.db2.gz	JCIIGUMSSXZLOY-AWEZNQCLSA-N	0	3	229.279	2.449	10	10		BECEHN
CCN1CCC[C@H]([NH2+]Cc2cccc(C)c2[O-])C1	ZINC000124730719	590079704	/nfs/dbraw/zinc/07/97/04/590079704.db2.gz	JHUFUGOGXUMLMD-AWEZNQCLSA-N	0	3	248.370	2.275	10	10		BECEHN
[O-]c1cccc2c1[C@H]([NH2+][C@H]1CCC[C@H](O)C1)CC2	ZINC000310855839	636667846	/nfs/dbraw/zinc/66/78/46/636667846.db2.gz	MYMPAKUHXAHEFV-RWMBFGLXSA-N	0	3	247.338	2.273	10	10		BECEHN
CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-]	ZINC000132570030	398307368	/nfs/dbraw/zinc/30/73/68/398307368.db2.gz	PZYNHGSBSQFKNQ-NSHDSACASA-N	0	3	243.734	2.215	10	10		BECEHN
Cc1cc(Cl)cc([C@H]([NH3+])CF)c1[O-]	ZINC000238505711	345063715	/nfs/dbraw/zinc/06/37/15/345063715.db2.gz	YUVONQVHXLILED-MRVPVSSYSA-N	0	3	203.644	2.323	10	10		BECEHN
Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1[O-]	ZINC000124832722	179092511	/nfs/dbraw/zinc/09/25/11/179092511.db2.gz	AMUUFIXWXAMKMO-JSGCOSHPSA-N	0	3	249.354	2.341	10	10		BECEHN
CC(C)C[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000019883122	188004389	/nfs/dbraw/zinc/00/43/89/188004389.db2.gz	WTIYSNPLQPRKNQ-VIFPVBQESA-N	0	3	209.289	2.404	10	10		BECEHN
CCCN(CCC)CC(=O)Nc1ccc(N)cc1	ZINC000022151722	169147508	/nfs/dbraw/zinc/14/75/08/169147508.db2.gz	JRGMTFQDHQLCRH-UHFFFAOYSA-N	0	3	249.358	2.329	10	10		BECEHN
CC[N@H+](CCO)Cc1cc(Cl)cc(C)c1[O-]	ZINC000132479051	384233929	/nfs/dbraw/zinc/23/39/29/384233929.db2.gz	IWUNWNFDMJTAGU-UHFFFAOYSA-N	0	3	243.734	2.168	10	10		BECEHN
CC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1[O-]	ZINC000132479051	384233936	/nfs/dbraw/zinc/23/39/36/384233936.db2.gz	IWUNWNFDMJTAGU-UHFFFAOYSA-N	0	3	243.734	2.168	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCO2)c1	ZINC000132953040	384263649	/nfs/dbraw/zinc/26/36/49/384263649.db2.gz	CCEUUMMTSSVISD-CYBMUJFWSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCO2)c1	ZINC000132953040	384263655	/nfs/dbraw/zinc/26/36/55/384263655.db2.gz	CCEUUMMTSSVISD-CYBMUJFWSA-N	0	3	235.327	2.311	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cc(F)ccc1[O-]	ZINC000134243942	384342849	/nfs/dbraw/zinc/34/28/49/384342849.db2.gz	QWLADICNYORNAB-HOTUBEGUSA-N	0	3	239.290	2.359	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(F)ccc1[O-]	ZINC000134243925	384342907	/nfs/dbraw/zinc/34/29/07/384342907.db2.gz	QWLADICNYORNAB-YGOYTEALSA-N	0	3	239.290	2.359	10	10		BECEHN
C[NH2+]Cc1cc(Br)cc(C)c1[O-]	ZINC000156818418	385109262	/nfs/dbraw/zinc/10/92/62/385109262.db2.gz	CWJHMLGDKRKQFV-UHFFFAOYSA-N	0	3	230.105	2.183	10	10		BECEHN
[NH3+][C@@H](CC(F)F)c1cc(F)ccc1[O-]	ZINC000575437898	387111796	/nfs/dbraw/zinc/11/17/96/387111796.db2.gz	CHDWURWGBQQRRL-ZETCQYMHSA-N	0	3	205.179	2.186	10	10		BECEHN
Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1	ZINC000367707065	388567503	/nfs/dbraw/zinc/56/75/03/388567503.db2.gz	LCFFQHSYUZOGHM-DOERSZECSA-N	0	3	247.338	2.244	10	10		BECEHN
CC(C)=CCOc1ccc(N2CCNCC2)cc1	ZINC000035650818	132338913	/nfs/dbraw/zinc/33/89/13/132338913.db2.gz	PSGCTOOPLDVBGS-UHFFFAOYSA-N	0	3	246.354	2.441	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1[O-]	ZINC000224929068	134352221	/nfs/dbraw/zinc/35/22/21/134352221.db2.gz	HHSHYSCFQPLPJZ-UKRRQHHQSA-N	0	3	247.338	2.358	10	10		BECEHN
CC(C)C[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000019883123	167013693	/nfs/dbraw/zinc/01/36/93/167013693.db2.gz	WTIYSNPLQPRKNQ-SECBINFHSA-N	0	3	209.289	2.404	10	10		BECEHN
CCC(C)(C)[NH2+]Cc1cccc(O)c1[O-]	ZINC000041049373	168299065	/nfs/dbraw/zinc/29/90/65/168299065.db2.gz	QWWSXNUEZLQRSN-UHFFFAOYSA-N	0	3	209.289	2.376	10	10		BECEHN
CCOCCC[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000019962944	170383176	/nfs/dbraw/zinc/38/31/76/170383176.db2.gz	VMESZSSXGFZSLC-SNVBAGLBSA-N	0	3	239.315	2.175	10	10		BECEHN
COc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1[O-]	ZINC000003705247	175296532	/nfs/dbraw/zinc/29/65/32/175296532.db2.gz	HXAWLLXWDLNMJH-PSASIEDQSA-N	0	3	207.273	2.071	10	10		BECEHN
C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ccccc2[O-])C1	ZINC000053115632	176133858	/nfs/dbraw/zinc/13/38/58/176133858.db2.gz	MXMTUVUOVLKPPM-IUODEOHRSA-N	0	3	249.354	2.423	10	10		BECEHN
Cc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1[O-]	ZINC000127876107	590824351	/nfs/dbraw/zinc/82/43/51/590824351.db2.gz	PTFNZYGMWWCBIQ-STQMWFEESA-N	0	3	235.327	2.094	10	10		BECEHN
Cc1cc(Cl)cc(C[NH2+]CC[C@H](C)O)c1[O-]	ZINC000133209760	591779564	/nfs/dbraw/zinc/77/95/64/591779564.db2.gz	VVRHBYVWELSDRX-VIFPVBQESA-N	0	3	243.734	2.215	10	10		BECEHN
Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOC2)c1[O-]	ZINC000133490257	591803652	/nfs/dbraw/zinc/80/36/52/591803652.db2.gz	OAQKRLVHIBYIJZ-LLVKDONJSA-N	0	3	241.718	2.233	10	10		BECEHN
CC(C)(C)OCC[NH2+]Cc1ccccc1[O-]	ZINC000136403669	592116538	/nfs/dbraw/zinc/11/65/38/592116538.db2.gz	QFDRBYSGEPLEAB-UHFFFAOYSA-N	0	3	223.316	2.297	10	10		BECEHN
Cc1cnc(CN[C@@H](C)c2ccccc2O)cn1	ZINC000061320224	640951890	/nfs/dbraw/zinc/95/18/90/640951890.db2.gz	OFJKCLOQKCZGGP-NSHDSACASA-N	0	3	243.310	2.341	10	10		BECEHN
Cc1cc(Cl)cc([C@@H]([NH3+])CF)c1[O-]	ZINC000238505214	345063697	/nfs/dbraw/zinc/06/36/97/345063697.db2.gz	YUVONQVHXLILED-QMMMGPOBSA-N	0	3	203.644	2.323	10	10		BECEHN
Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1[O-]	ZINC000160191888	179084320	/nfs/dbraw/zinc/08/43/20/179084320.db2.gz	RHNPZSVRRYSPRG-TZMCWYRMSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1[O-]	ZINC000160191888	179084324	/nfs/dbraw/zinc/08/43/24/179084324.db2.gz	RHNPZSVRRYSPRG-TZMCWYRMSA-N	0	3	248.370	2.083	10	10		BECEHN
Oc1cccc(O)c1CNc1ccncc1	ZINC000039097795	183293154	/nfs/dbraw/zinc/29/31/54/183293154.db2.gz	HBCIVRUVOOEQMV-UHFFFAOYSA-N	0	3	216.240	2.105	10	10		BECEHN
[O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)CC2	ZINC000297598665	183298135	/nfs/dbraw/zinc/29/81/35/183298135.db2.gz	HYEGSPCEBXXGCB-UPJWGTAASA-N	0	3	247.338	2.273	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc(F)ccc1[O-]	ZINC000134243982	384342720	/nfs/dbraw/zinc/34/27/20/384342720.db2.gz	QWLADICNYORNAB-AUTRQRHGSA-N	0	3	239.290	2.359	10	10		BECEHN
CCOc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1[O-]	ZINC000052270891	384725026	/nfs/dbraw/zinc/72/50/26/384725026.db2.gz	QFUKZBBNUFJRLH-ONGXEEELSA-N	0	3	221.300	2.289	10	10		BECEHN
COc1cccc([C@H]([NH3+])CC(F)F)c1[O-]	ZINC000575436428	387100541	/nfs/dbraw/zinc/10/05/41/387100541.db2.gz	AGWSRDNWONNCPS-SSDOTTSWSA-N	0	3	217.215	2.056	10	10		BECEHN
Cc1cccc([C@@H]([NH3+])CC(F)F)c1[O-]	ZINC000575437633	387108843	/nfs/dbraw/zinc/10/88/43/387108843.db2.gz	KZCDRLDRUAYQQS-QMMMGPOBSA-N	0	3	201.216	2.356	10	10		BECEHN
COc1cccc([O-])c1[C@@H]([NH3+])CC(F)F	ZINC000575437740	387111253	/nfs/dbraw/zinc/11/12/53/387111253.db2.gz	RWVJIFNLPITDRY-LURJTMIESA-N	0	3	217.215	2.056	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1	ZINC000230316722	387261321	/nfs/dbraw/zinc/26/13/21/387261321.db2.gz	MUYCQTDVTVLDJI-GXTWGEPZSA-N	0	3	233.311	2.049	10	10		BECEHN
CCCCOc1ccc(N2CCNCC2)cc1	ZINC000019688460	132326168	/nfs/dbraw/zinc/32/61/68/132326168.db2.gz	SYXNDZQZMXENBM-UHFFFAOYSA-N	0	3	234.343	2.275	10	10		BECEHN
C[C@@H]1CN(c2ccc(OC(F)F)cc2)CCN1	ZINC000083370281	132424343	/nfs/dbraw/zinc/42/43/43/132424343.db2.gz	NOGIJTDMALOFQU-SECBINFHSA-N	0	3	242.269	2.086	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-]	ZINC000249174627	135035740	/nfs/dbraw/zinc/03/57/40/135035740.db2.gz	LXAJAYFVXHQQLK-MJBXVCDLSA-N	0	3	247.338	2.358	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000250089258	135049509	/nfs/dbraw/zinc/04/95/09/135049509.db2.gz	QBCJSHQOGSTHAW-OUCADQQQSA-N	0	3	233.311	2.049	10	10		BECEHN
CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000297744201	410047540	/nfs/dbraw/zinc/04/75/40/410047540.db2.gz	OBOXLGPDCUWIOD-AAEUAGOBSA-N	0	3	249.354	2.376	10	10		BECEHN
CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000297744208	410047557	/nfs/dbraw/zinc/04/75/57/410047557.db2.gz	OBOXLGPDCUWIOD-YPMHNXCESA-N	0	3	249.354	2.376	10	10		BECEHN
CCN(CC)c1ccc2c(c1)OCCNC2	ZINC000049453802	169804783	/nfs/dbraw/zinc/80/47/83/169804783.db2.gz	IGFVSRAMYPHRFF-UHFFFAOYSA-N	0	3	220.316	2.015	10	10		BECEHN
CCn1ncc(C[NH2+]Cc2ccccc2[O-])c1C	ZINC000020352498	172255441	/nfs/dbraw/zinc/25/54/41/172255441.db2.gz	NJJGKGVYAZGKBF-UHFFFAOYSA-N	0	3	245.326	2.207	10	10		BECEHN
CN(C)c1ccc(CNCc2ccc[nH]2)cc1	ZINC000048463029	172553333	/nfs/dbraw/zinc/55/33/33/172553333.db2.gz	ZOBXDAKYAPBYDF-UHFFFAOYSA-N	0	3	229.327	2.371	10	10		BECEHN
COc1ccc(CN[C@@H]2CCO[C@H]2C)cc1C	ZINC000120837582	175110388	/nfs/dbraw/zinc/11/03/88/175110388.db2.gz	NXFQXZZAQMYTMT-WCQYABFASA-N	0	3	235.327	2.271	10	10		BECEHN
COc1ccc([O-])c(C[NH2+]C(C)(C)C)c1	ZINC000020084205	175157059	/nfs/dbraw/zinc/15/70/59/175157059.db2.gz	AZJNMOGBDZIYMH-UHFFFAOYSA-N	0	3	209.289	2.289	10	10		BECEHN
CC[C@H]([NH2+]CC1CC(O)C1)c1ccccc1[O-]	ZINC000091524152	325687053	/nfs/dbraw/zinc/68/70/53/325687053.db2.gz	QYHAXELNEHLPAN-XIVSLSHWSA-N	0	3	235.327	2.204	10	10		BECEHN
COc1ccc(N2CCN[C@@H](C)C2)cc1Cl	ZINC000071550340	536704845	/nfs/dbraw/zinc/70/48/45/536704845.db2.gz	SKMQCAXKGIIJNB-VIFPVBQESA-N	0	3	240.734	2.147	10	10		BECEHN
CC[C@H]([NH3+])c1cc(Cl)cc(OC)c1[O-]	ZINC000757142839	582522810	/nfs/dbraw/zinc/52/28/10/582522810.db2.gz	DEHAUCFBTJNIOP-QMMMGPOBSA-N	0	3	215.680	2.464	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1[O-]	ZINC000217674754	583172568	/nfs/dbraw/zinc/17/25/68/583172568.db2.gz	VBJMPIMXLLEPPD-QJPTWQEYSA-N	0	3	235.327	2.346	10	10		BECEHN
Cc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1[O-]	ZINC000127876545	590823484	/nfs/dbraw/zinc/82/34/84/590823484.db2.gz	PTFNZYGMWWCBIQ-QWHCGFSZSA-N	0	3	235.327	2.094	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1[O-]	ZINC000217674926	592148200	/nfs/dbraw/zinc/14/82/00/592148200.db2.gz	VBJMPIMXLLEPPD-SDDRHHMPSA-N	0	3	235.327	2.346	10	10		BECEHN
C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000308907559	632394302	/nfs/dbraw/zinc/39/43/02/632394302.db2.gz	PJGSHLZDDLRLIQ-FBIMIBRVSA-N	0	3	203.285	2.378	10	10		BECEHN
[O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)CC2	ZINC000310855838	636667186	/nfs/dbraw/zinc/66/71/86/636667186.db2.gz	MYMPAKUHXAHEFV-JHJVBQTASA-N	0	3	247.338	2.273	10	10		BECEHN
Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c([O-])c1	ZINC000040672511	641534780	/nfs/dbraw/zinc/53/47/80/641534780.db2.gz	SDRWDOPHLDAIFU-OLZOCXBDSA-N	0	3	248.370	2.445	10	10		BECEHN
COc1ccc(C[NH2+][C@@H](C)C2CC2)c([O-])c1	ZINC000040906143	1171157360	/nfs/dbraw/zinc/15/73/60/1171157360.db2.gz	ZFQVHUNRWGPDGB-VIFPVBQESA-N	0	3	221.300	2.289	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1	ZINC000077204178	191006030	/nfs/dbraw/zinc/00/60/30/191006030.db2.gz	YUCCZJZUFGMHCE-JSGCOSHPSA-N	0	3	249.354	2.341	10	10		BECEHN
NCC[C@H]([NH3+])c1c([O-])cc(Cl)cc1Cl	ZINC000306773759	351015098	/nfs/dbraw/zinc/01/50/98/351015098.db2.gz	JAOKPZYEIFRRCC-ZETCQYMHSA-N	0	3	235.114	2.048	10	10		BECEHN
N[C@@H](CC[NH3+])c1c([O-])cc(Cl)cc1Cl	ZINC000306773759	351015101	/nfs/dbraw/zinc/01/51/01/351015101.db2.gz	JAOKPZYEIFRRCC-ZETCQYMHSA-N	0	3	235.114	2.048	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-]	ZINC000188570705	357562786	/nfs/dbraw/zinc/56/27/86/357562786.db2.gz	LXAJAYFVXHQQLK-MGPQQGTHSA-N	0	3	247.338	2.358	10	10		BECEHN
Cc1ccc(C([O-])=C[N+]#N)c(Br)c1	ZINC000584613054	358107166	/nfs/dbraw/zinc/10/71/66/358107166.db2.gz	SXBVVDUCSSJTSC-UHFFFAOYSA-N	0	3	239.072	2.241	10	10		BECEHN
CCC[NH2+]CCc1ccc(O)c([O-])c1Cl	ZINC000029346844	169261728	/nfs/dbraw/zinc/26/17/28/169261728.db2.gz	WRMPNQFZMPWYFI-UHFFFAOYSA-N	0	3	229.707	2.293	10	10		BECEHN
CCOc1cccc(C[NH2+][C@H]2C[C@H]2C)c1[O-]	ZINC000052270897	384728628	/nfs/dbraw/zinc/72/86/28/384728628.db2.gz	QFUKZBBNUFJRLH-KOLCDFICSA-N	0	3	221.300	2.289	10	10		BECEHN
NCc1cc(Sc2nccs2)ccn1	ZINC000061812361	384790533	/nfs/dbraw/zinc/79/05/33/384790533.db2.gz	UUCYRPOWETYJTH-UHFFFAOYSA-N	0	3	223.326	2.148	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](N(C)C)C2)c1	ZINC000131460863	385338418	/nfs/dbraw/zinc/33/84/18/385338418.db2.gz	UZMDIQFLHZXZGU-GXTWGEPZSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](N(C)C)C2)c1	ZINC000131460863	385338425	/nfs/dbraw/zinc/33/84/25/385338425.db2.gz	UZMDIQFLHZXZGU-GXTWGEPZSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cnn(CC[NH2+][C@H](C)c2ccccc2[O-])c1	ZINC000179895489	385498068	/nfs/dbraw/zinc/49/80/68/385498068.db2.gz	QWSOGQOETCZKJJ-GFCCVEGCSA-N	0	3	245.326	2.248	10	10		BECEHN
C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCO1	ZINC000226584559	386338450	/nfs/dbraw/zinc/33/84/50/386338450.db2.gz	CXDAKJQUAHJQPX-NOZJJQNGSA-N	0	3	239.290	2.188	10	10		BECEHN
[NH3+][C@H](CC(F)F)c1cc(F)ccc1[O-]	ZINC000575437277	387107810	/nfs/dbraw/zinc/10/78/10/387107810.db2.gz	CHDWURWGBQQRRL-SSDOTTSWSA-N	0	3	205.179	2.186	10	10		BECEHN
CCOc1cccc([C@@H]([NH3+])CCF)c1[O-]	ZINC000575438417	387129171	/nfs/dbraw/zinc/12/91/71/387129171.db2.gz	KMDYTHCDYFDOSM-VIFPVBQESA-N	0	3	213.252	2.150	10	10		BECEHN
[O-]c1ccccc1C[N@@H+]1CCCN(C2CC2)CC1	ZINC000180015184	134325889	/nfs/dbraw/zinc/32/58/89/134325889.db2.gz	QDZMYFJBSCXUBO-UHFFFAOYSA-N	0	3	246.354	2.062	10	10		BECEHN
[O-]c1ccccc1C[N@H+]1CCCN(C2CC2)CC1	ZINC000180015184	134325890	/nfs/dbraw/zinc/32/58/90/134325890.db2.gz	QDZMYFJBSCXUBO-UHFFFAOYSA-N	0	3	246.354	2.062	10	10		BECEHN
CC(C)C[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000019883083	167013755	/nfs/dbraw/zinc/01/37/55/167013755.db2.gz	POASXOMWVVEJIJ-SECBINFHSA-N	0	3	209.289	2.404	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1[O-]	ZINC000134236829	176925611	/nfs/dbraw/zinc/92/56/11/176925611.db2.gz	WLJRWYKTQJNOSY-UMNHJUIQSA-N	0	3	221.300	2.220	10	10		BECEHN
C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1[O-]	ZINC000245847029	177280717	/nfs/dbraw/zinc/28/07/17/177280717.db2.gz	CIRLETGMTNOXEE-JSGCOSHPSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1[O-]	ZINC000245847029	177280719	/nfs/dbraw/zinc/28/07/19/177280719.db2.gz	CIRLETGMTNOXEE-JSGCOSHPSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000308907561	632394257	/nfs/dbraw/zinc/39/42/57/632394257.db2.gz	PJGSHLZDDLRLIQ-MIMYLULJSA-N	0	3	203.285	2.378	10	10		BECEHN
[O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CCCO1	ZINC000226584327	640777754	/nfs/dbraw/zinc/77/77/54/640777754.db2.gz	NZVLHSKCHJGHPH-LBPRGKRZSA-N	0	3	239.290	2.190	10	10		BECEHN
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c([O-])c1	ZINC000040672509	641533811	/nfs/dbraw/zinc/53/38/11/641533811.db2.gz	SDRWDOPHLDAIFU-CHWSQXEVSA-N	0	3	248.370	2.445	10	10		BECEHN
Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c([O-])c1	ZINC000040672510	641534037	/nfs/dbraw/zinc/53/40/37/641534037.db2.gz	SDRWDOPHLDAIFU-QWHCGFSZSA-N	0	3	248.370	2.445	10	10		BECEHN
CC[C@H]([NH2+]C1CC(CO)C1)c1ccccc1[O-]	ZINC000705187817	712125319	/nfs/dbraw/zinc/12/53/19/712125319.db2.gz	RDNQDNQMYNGAHF-XIVSLSHWSA-N	0	3	235.327	2.204	10	10		BECEHN
CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-]	ZINC000040905603	343410542	/nfs/dbraw/zinc/41/05/42/343410542.db2.gz	QPVBUGNWCRXHNZ-SECBINFHSA-N	0	3	209.289	2.289	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1[O-]	ZINC000124704053	179096794	/nfs/dbraw/zinc/09/67/94/179096794.db2.gz	UYFQDPPOLHJHSW-WCQYABFASA-N	0	3	235.327	2.358	10	10		BECEHN
NCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-]	ZINC000306578692	360468657	/nfs/dbraw/zinc/46/86/57/360468657.db2.gz	MJSAWBJQRYQSJQ-QMMMGPOBSA-N	0	3	235.114	2.048	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[O-]	ZINC000134236785	384339891	/nfs/dbraw/zinc/33/98/91/384339891.db2.gz	WLJRWYKTQJNOSY-HOSYDEDBSA-N	0	3	221.300	2.220	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1[O-]	ZINC000051991380	384706769	/nfs/dbraw/zinc/70/67/69/384706769.db2.gz	FTQQCDKBHHFZSZ-SUHUHFCYSA-N	0	3	235.327	2.346	10	10		BECEHN
Cc1ccc([O-])c([C@@H]([NH3+])CC(F)F)c1	ZINC000575437455	387107441	/nfs/dbraw/zinc/10/74/41/387107441.db2.gz	FYAMBUXZILMAJL-QMMMGPOBSA-N	0	3	201.216	2.356	10	10		BECEHN
COc1ccc([O-])c([C@H]([NH3+])CC(F)F)c1	ZINC000575437389	387107616	/nfs/dbraw/zinc/10/76/16/387107616.db2.gz	DOWDVACPPYSQQW-MRVPVSSYSA-N	0	3	217.215	2.056	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1	ZINC000230316106	387261926	/nfs/dbraw/zinc/26/19/26/387261926.db2.gz	PWFQNVAPYKHMRD-ZFWWWQNUSA-N	0	3	247.338	2.358	10	10		BECEHN
Cc1ccc([O-])c([C@H](C)[NH2+]CC2CC(O)C2)c1	ZINC000091423406	388763368	/nfs/dbraw/zinc/76/33/68/388763368.db2.gz	MXMXFKJMWHUHAU-UNXYVOJBSA-N	0	3	235.327	2.122	10	10		BECEHN
CC(C)[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2	ZINC000042879652	167381839	/nfs/dbraw/zinc/38/18/39/167381839.db2.gz	ZQFKCZWVHKMSIK-SECBINFHSA-N	0	3	237.299	2.255	10	10		BECEHN
CC1=CCN(CCOc2ccc(N)cc2)CC1	ZINC000075423288	168113245	/nfs/dbraw/zinc/11/32/45/168113245.db2.gz	UMKFQMHVNFKHAI-UHFFFAOYSA-N	0	3	232.327	2.300	10	10		BECEHN
CCN1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1[O-]	ZINC000071406190	169972151	/nfs/dbraw/zinc/97/21/51/169972151.db2.gz	CIDPFPRFLSUWHD-CQSZACIVSA-N	0	3	248.370	2.275	10	10		BECEHN
C[C@@H](c1cc(Cl)ccc1[O-])N1CC[NH2+]CC1	ZINC000076817249	176013652	/nfs/dbraw/zinc/01/36/52/176013652.db2.gz	KWZXFSIZHHIJSE-VIFPVBQESA-N	0	3	240.734	2.012	10	10		BECEHN
Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CC(O)C2)c1	ZINC000091423404	325686517	/nfs/dbraw/zinc/68/65/17/325686517.db2.gz	MXMXFKJMWHUHAU-VOMCLLRMSA-N	0	3	235.327	2.122	10	10		BECEHN
Cc1cc(Cl)cc(C[NH2+]CC[C@@H](C)O)c1[O-]	ZINC000133209560	591779530	/nfs/dbraw/zinc/77/95/30/591779530.db2.gz	VVRHBYVWELSDRX-SECBINFHSA-N	0	3	243.734	2.215	10	10		BECEHN
Cc1nccnc1[C@@H](C)NCc1ccccc1O	ZINC000219125050	592211369	/nfs/dbraw/zinc/21/13/69/592211369.db2.gz	LOQPYNDACURZIS-LLVKDONJSA-N	0	3	243.310	2.341	10	10		BECEHN
COCC1CC([NH2+][C@H]2CCc3cccc([O-])c32)C1	ZINC000713981547	712475976	/nfs/dbraw/zinc/47/59/76/712475976.db2.gz	TWOCZMPYNHAPAU-GDKBPFBDSA-N	0	3	247.338	2.394	10	10		BECEHN
CCC(CC)N(C)CC(=O)Nc1ccc(N)cc1	ZINC000036788476	168367293	/nfs/dbraw/zinc/36/72/93/168367293.db2.gz	QKAUKLPUCNLFHU-UHFFFAOYSA-N	0	3	249.358	2.328	10	10		BECEHN
Cc1cccc(CNCc2ccc(O)cc2O)n1	ZINC000051574260	179094325	/nfs/dbraw/zinc/09/43/25/179094325.db2.gz	BXJHJOWREKZPSY-UHFFFAOYSA-N	0	3	244.294	2.091	10	10		BECEHN
NCC[C@@H]([NH3+])c1c([O-])cc(Cl)cc1Cl	ZINC000306773758	351014579	/nfs/dbraw/zinc/01/45/79/351014579.db2.gz	JAOKPZYEIFRRCC-SSDOTTSWSA-N	0	3	235.114	2.048	10	10		BECEHN
N[C@H](CC[NH3+])c1c([O-])cc(Cl)cc1Cl	ZINC000306773758	351014584	/nfs/dbraw/zinc/01/45/84/351014584.db2.gz	JAOKPZYEIFRRCC-SSDOTTSWSA-N	0	3	235.114	2.048	10	10		BECEHN
OC1CCN(C2=Cc3ccccc3C2)CC1	ZINC000584636962	358322307	/nfs/dbraw/zinc/32/23/07/358322307.db2.gz	LXTVGOPGTLUMMZ-UHFFFAOYSA-N	0	3	215.296	2.040	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1O	ZINC000167734363	183303624	/nfs/dbraw/zinc/30/36/24/183303624.db2.gz	PQGZKUYFADCTAB-TZMCWYRMSA-N	0	3	235.327	2.175	10	10		BECEHN
Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c([O-])c1	ZINC000367687155	384932215	/nfs/dbraw/zinc/93/22/15/384932215.db2.gz	KFIXOSTUCLLETP-DOERSZECSA-N	0	3	247.338	2.244	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1	ZINC000217747021	385890903	/nfs/dbraw/zinc/89/09/03/385890903.db2.gz	UZMDIQFLHZXZGU-OCCSQVGLSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1	ZINC000217747021	385890907	/nfs/dbraw/zinc/89/09/07/385890907.db2.gz	UZMDIQFLHZXZGU-OCCSQVGLSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc([C@H]([NH3+])CC(F)F)c1[O-]	ZINC000575436990	387104751	/nfs/dbraw/zinc/10/47/51/387104751.db2.gz	KZCDRLDRUAYQQS-MRVPVSSYSA-N	0	3	201.216	2.356	10	10		BECEHN
CCOc1cccc([C@H]([NH3+])CCF)c1[O-]	ZINC000575438418	387129494	/nfs/dbraw/zinc/12/94/94/387129494.db2.gz	KMDYTHCDYFDOSM-SECBINFHSA-N	0	3	213.252	2.150	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000250089263	135049401	/nfs/dbraw/zinc/04/94/01/135049401.db2.gz	QBCJSHQOGSTHAW-SCRDCRAPSA-N	0	3	233.311	2.049	10	10		BECEHN
CCN1CCc2cc(O)c(O)cc2C1(C)C	ZINC000014722976	170024201	/nfs/dbraw/zinc/02/42/01/170024201.db2.gz	PEZHTRGMGFXRCH-UHFFFAOYSA-N	0	3	221.300	2.211	10	10	biogenic,in-vitro	BECEHN
CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-]	ZINC000071408939	174750350	/nfs/dbraw/zinc/75/03/50/174750350.db2.gz	URGYMLUUVCMOCN-GXTWGEPZSA-N	0	3	235.327	2.358	10	10		BECEHN
COc1ccc([C@H](C)[NH2+]C2CC2)c([O-])c1	ZINC000020083139	175188306	/nfs/dbraw/zinc/18/83/06/175188306.db2.gz	CCBCJKPMBMHZQF-QMMMGPOBSA-N	0	3	207.273	2.214	10	10		BECEHN
COc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1[O-]	ZINC000003705245	175290659	/nfs/dbraw/zinc/29/06/59/175290659.db2.gz	HXAWLLXWDLNMJH-SCZZXKLOSA-N	0	3	207.273	2.071	10	10		BECEHN
COc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1[O-]	ZINC000003705244	175291128	/nfs/dbraw/zinc/29/11/28/175291128.db2.gz	HXAWLLXWDLNMJH-WPRPVWTQSA-N	0	3	207.273	2.071	10	10		BECEHN
C[C@H]1CN(CCCc2ccc(N)cc2)C[C@H](C)O1	ZINC000058267404	177249138	/nfs/dbraw/zinc/24/91/38/177249138.db2.gz	WZHUIGKWESKDTF-STQMWFEESA-N	0	3	248.370	2.311	10	10		BECEHN
[O-]c1cccc2c1[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)CC2	ZINC000310855840	636667592	/nfs/dbraw/zinc/66/75/92/636667592.db2.gz	MYMPAKUHXAHEFV-YNEHKIRRSA-N	0	3	247.338	2.273	10	10		BECEHN
Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c([O-])c1	ZINC000040672512	641535373	/nfs/dbraw/zinc/53/53/73/641535373.db2.gz	SDRWDOPHLDAIFU-STQMWFEESA-N	0	3	248.370	2.445	10	10		BECEHN
[O-]c1ccccc1C[NH2+]CC[C@H]1CCCO1	ZINC000038095365	712807869	/nfs/dbraw/zinc/80/78/69/712807869.db2.gz	BZVLZLZHYNYWBC-GFCCVEGCSA-N	0	3	221.300	2.051	10	10		BECEHN
Cc1cccc(CNCc2ccccn2)c1O	ZINC000083356163	179095963	/nfs/dbraw/zinc/09/59/63/179095963.db2.gz	IBGZTYIIOYRZDW-UHFFFAOYSA-N	0	3	228.295	2.385	10	10		BECEHN
NCc1ncccc1Sc1nccs1	ZINC000131016988	370734030	/nfs/dbraw/zinc/73/40/30/370734030.db2.gz	WHDMIVWEGZUFMC-UHFFFAOYSA-N	0	3	223.326	2.148	10	10		BECEHN
CCCN(C)c1ccc(CNCCOC)cc1	ZINC000062735323	169088034	/nfs/dbraw/zinc/08/80/34/169088034.db2.gz	SQQWEZNCXSNFHH-UHFFFAOYSA-N	0	3	236.359	2.269	10	10		BECEHN
COc1ccc(CN[C@H]2CCO[C@@H]2C)cc1C	ZINC000120837425	384383372	/nfs/dbraw/zinc/38/33/72/384383372.db2.gz	NXFQXZZAQMYTMT-YPMHNXCESA-N	0	3	235.327	2.271	10	10		BECEHN
Cc1cccc(CN2CCO[C@H]3CCC[C@H]32)c1O	ZINC000228174774	387080628	/nfs/dbraw/zinc/08/06/28/387080628.db2.gz	POIFVGYWXHJZBJ-KGLIPLIRSA-N	0	3	247.338	2.454	10	10		BECEHN
Cc1cc(F)cc([C@@H]([NH3+])CCF)c1[O-]	ZINC000575438848	387119227	/nfs/dbraw/zinc/11/92/27/387119227.db2.gz	NGAVBSRXXWNGBR-VIFPVBQESA-N	0	3	201.216	2.199	10	10		BECEHN
Cc1ccc(Br)c([C@H]([NH3+])CF)c1[O-]	ZINC000238532299	387875137	/nfs/dbraw/zinc/87/51/37/387875137.db2.gz	MAZFIUIAORBNSM-SSDOTTSWSA-N	0	3	248.095	2.432	10	10		BECEHN
C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000296946174	388426961	/nfs/dbraw/zinc/42/69/61/388426961.db2.gz	QPRQCCBWWICCPC-MVWJERBFSA-N	0	3	233.311	2.147	10	10		BECEHN
CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccccc1[O-]	ZINC000049195476	167395024	/nfs/dbraw/zinc/39/50/24/167395024.db2.gz	GDDCEMVBPCHARH-CYBMUJFWSA-N	0	3	236.359	2.068	10	10		BECEHN
C[C@H]([NH2+]Cc1cccnc1)c1ccc(O)cc1[O-]	ZINC000020140871	176878037	/nfs/dbraw/zinc/87/80/37/176878037.db2.gz	SYTRRJGOXFJVNW-JTQLQIEISA-N	0	3	244.294	2.344	10	10		BECEHN
Cc1cccc(CNCc2ccccc2O)n1	ZINC000051573747	631811088	/nfs/dbraw/zinc/81/10/88/631811088.db2.gz	MSMVHNYCPPSQEP-UHFFFAOYSA-N	0	3	228.295	2.385	10	10		BECEHN
COC1CC([NH2+][C@@H]2CCc3cccc([O-])c32)C1	ZINC000310350805	632726837	/nfs/dbraw/zinc/72/68/37/632726837.db2.gz	QOEQEKBUFLOVHL-HTAVTVPLSA-N	0	3	233.311	2.147	10	10		BECEHN
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1[O-]	ZINC000051991381	632772884	/nfs/dbraw/zinc/77/28/84/632772884.db2.gz	FTQQCDKBHHFZSZ-QKCSRTOESA-N	0	3	235.327	2.346	10	10		BECEHN
COc1cc(Cl)cc([C@@H]([NH3+])C2CC2)c1[O-]	ZINC000757132756	643258279	/nfs/dbraw/zinc/25/82/79/643258279.db2.gz	JYLDQFRLEIWACV-JTQLQIEISA-N	0	3	227.691	2.464	10	10		BECEHN
COCC1CC([NH2+][C@H](C)c2ccccc2[O-])C1	ZINC000713936564	712381631	/nfs/dbraw/zinc/38/16/31/712381631.db2.gz	ZUVQNUZFRTYXPW-VOMCLLRMSA-N	0	3	235.327	2.468	10	10		BECEHN
COCC1CC([NH2+]Cc2cc(F)ccc2[O-])C1	ZINC000713953753	712474548	/nfs/dbraw/zinc/47/45/48/712474548.db2.gz	SEQYMOJDWBPNMR-UHFFFAOYSA-N	0	3	239.290	2.046	10	10		BECEHN
[O-]c1ccccc1C[NH2+]CC[C@@H]1CCCO1	ZINC000038095364	712807885	/nfs/dbraw/zinc/80/78/85/712807885.db2.gz	BZVLZLZHYNYWBC-LBPRGKRZSA-N	0	3	221.300	2.051	10	10		BECEHN
Cc1cnn(CC[NH2+][C@@H](C)c2ccccc2[O-])c1	ZINC000179895472	179740056	/nfs/dbraw/zinc/74/00/56/179740056.db2.gz	QWSOGQOETCZKJJ-LBPRGKRZSA-N	0	3	245.326	2.248	10	10		BECEHN
Nc1ccncc1Sc1nccs1	ZINC000307436209	352596140	/nfs/dbraw/zinc/59/61/40/352596140.db2.gz	SOWOJXLUJGQUTR-UHFFFAOYSA-N	0	3	209.299	2.272	10	10		BECEHN
CC[C@@H](c1ccccc1O)N1CCOCC1	ZINC000132446992	371824997	/nfs/dbraw/zinc/82/49/97/371824997.db2.gz	XRCFXVMQCMIQOO-LBPRGKRZSA-N	0	3	221.300	2.176	10	10		BECEHN
[O-]c1c(O)cccc1C[NH+]1CCCCC1	ZINC000039096586	183289696	/nfs/dbraw/zinc/28/96/96/183289696.db2.gz	RVHAGVNRPCFSGH-UHFFFAOYSA-N	0	3	207.273	2.084	10	10		BECEHN
Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c([O-])c1	ZINC000367687157	384932376	/nfs/dbraw/zinc/93/23/76/384932376.db2.gz	KFIXOSTUCLLETP-ZRJCITRHSA-N	0	3	247.338	2.244	10	10		BECEHN
CCOc1cccc([C@H]([NH3+])CC(F)F)c1[O-]	ZINC000575436616	387117865	/nfs/dbraw/zinc/11/78/65/387117865.db2.gz	DZFWZKQWEYFQIZ-MRVPVSSYSA-N	0	3	231.242	2.446	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1[O-]	ZINC000249723878	387147872	/nfs/dbraw/zinc/14/78/72/387147872.db2.gz	FTQQCDKBHHFZSZ-VHRBIJSZSA-N	0	3	235.327	2.346	10	10		BECEHN
C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000296946188	388426195	/nfs/dbraw/zinc/42/61/95/388426195.db2.gz	QPRQCCBWWICCPC-ZMLRMANQSA-N	0	3	233.311	2.147	10	10		BECEHN
CC[C@@H]1CO[C@@H](C)CN1CCc1ccc(N)cc1	ZINC000036798082	171110043	/nfs/dbraw/zinc/11/00/43/171110043.db2.gz	NIDLPJLRJSQAPL-SWLSCSKDSA-N	0	3	248.370	2.311	10	10		BECEHN
CC[C@@H]1CO[C@H](C)CN1CCc1ccc(N)cc1	ZINC000036798079	171111462	/nfs/dbraw/zinc/11/14/62/171111462.db2.gz	NIDLPJLRJSQAPL-IUODEOHRSA-N	0	3	248.370	2.311	10	10		BECEHN
CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1[O-])C2	ZINC000076690961	173206610	/nfs/dbraw/zinc/20/66/10/173206610.db2.gz	GQBVFKQVWGUUIJ-AGUYFDCRSA-N	0	3	246.354	2.107	10	10		BECEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1	ZINC000052270640	175160740	/nfs/dbraw/zinc/16/07/40/175160740.db2.gz	XASUFKCOHVUPMO-HOTUBEGUSA-N	0	3	221.300	2.460	10	10		BECEHN
[O-]c1ccccc1C[NH2+]Cc1cc[nH]c1	ZINC000129980358	591426369	/nfs/dbraw/zinc/42/63/69/591426369.db2.gz	NAXWOPJUSQZUHG-UHFFFAOYSA-N	0	3	202.257	2.010	10	10		BECEHN
C[C@@H]([NH2+]C1CSC1)c1ccccc1[O-]	ZINC000215965302	592001308	/nfs/dbraw/zinc/00/13/08/592001308.db2.gz	CUXZZHGYFSYDQA-MRVPVSSYSA-N	0	3	209.314	2.158	10	10		BECEHN
COC1CC([NH2+][C@H]2CCc3cccc([O-])c32)C1	ZINC000310350806	632726530	/nfs/dbraw/zinc/72/65/30/632726530.db2.gz	QOEQEKBUFLOVHL-MCIGGMRASA-N	0	3	233.311	2.147	10	10		BECEHN
COCC1CC([NH2+][C@@H](C)c2ccccc2[O-])C1	ZINC000713936563	712381663	/nfs/dbraw/zinc/38/16/63/712381663.db2.gz	ZUVQNUZFRTYXPW-UNXYVOJBSA-N	0	3	235.327	2.468	10	10		BECEHN
C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1[O-]	ZINC000037166100	712549835	/nfs/dbraw/zinc/54/98/35/712549835.db2.gz	VBJMPIMXLLEPPD-SRVKXCTJSA-N	0	3	235.327	2.346	10	10		BECEHN
Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)O)c1[O-]	ZINC000130690594	178063183	/nfs/dbraw/zinc/06/31/83/178063183.db2.gz	XPAWTJZMRODCBE-SECBINFHSA-N	0	3	243.734	2.167	10	10		BECEHN
Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)O)c1[O-]	ZINC000130690594	178063186	/nfs/dbraw/zinc/06/31/86/178063186.db2.gz	XPAWTJZMRODCBE-SECBINFHSA-N	0	3	243.734	2.167	10	10		BECEHN
CC(=O)Nc1ccc(C[NH+]2CCCCC2)c([O-])c1	ZINC000034395916	345824570	/nfs/dbraw/zinc/82/45/70/345824570.db2.gz	OAZYOEPRHCEZFE-UHFFFAOYSA-N	0	3	248.326	2.337	10	10		BECEHN
Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1[O-]	ZINC000226379611	179082371	/nfs/dbraw/zinc/08/23/71/179082371.db2.gz	RHNPZSVRRYSPRG-OCCSQVGLSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1[O-]	ZINC000226379611	179082373	/nfs/dbraw/zinc/08/23/73/179082373.db2.gz	RHNPZSVRRYSPRG-OCCSQVGLSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1ncc(CNCc2ccc(N)cc2)s1	ZINC000049538864	180155214	/nfs/dbraw/zinc/15/52/14/180155214.db2.gz	TWFCYKTZYNFEEJ-UHFFFAOYSA-N	0	3	233.340	2.324	10	10		BECEHN
NC(=O)c1cccc2c(N)c3ccccc3nc12	ZINC000006117623	355883621	/nfs/dbraw/zinc/88/36/21/355883621.db2.gz	XQQAEEYIUMQDHR-UHFFFAOYSA-N	0	3	237.262	2.069	10	10		BECEHN
NCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-]	ZINC000306578691	360468664	/nfs/dbraw/zinc/46/86/64/360468664.db2.gz	MJSAWBJQRYQSJQ-MRVPVSSYSA-N	0	3	235.114	2.048	10	10		BECEHN
Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCO2)c1	ZINC000132952825	384264739	/nfs/dbraw/zinc/26/47/39/384264739.db2.gz	CCEUUMMTSSVISD-ZDUSSCGKSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCO2)c1	ZINC000132952825	384264744	/nfs/dbraw/zinc/26/47/44/384264744.db2.gz	CCEUUMMTSSVISD-ZDUSSCGKSA-N	0	3	235.327	2.311	10	10		BECEHN
Cc1cccc(CN2CCO[C@@H]3CCC[C@H]32)c1O	ZINC000228174767	387080542	/nfs/dbraw/zinc/08/05/42/387080542.db2.gz	POIFVGYWXHJZBJ-ZIAGYGMSSA-N	0	3	247.338	2.454	10	10		BECEHN
CCOc1cccc([C@@H]([NH3+])CC(F)F)c1[O-]	ZINC000575437414	387107572	/nfs/dbraw/zinc/10/75/72/387107572.db2.gz	DZFWZKQWEYFQIZ-QMMMGPOBSA-N	0	3	231.242	2.446	10	10		BECEHN
COc1ccc([C@@H]([NH3+])CC(F)F)c([O-])c1	ZINC000575437889	387112449	/nfs/dbraw/zinc/11/24/49/387112449.db2.gz	CERYERXEIPEJDX-QMMMGPOBSA-N	0	3	217.215	2.056	10	10		BECEHN
[O-]c1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1	ZINC000230316718	387260535	/nfs/dbraw/zinc/26/05/35/387260535.db2.gz	MUYCQTDVTVLDJI-TZMCWYRMSA-N	0	3	233.311	2.049	10	10		BECEHN
CC[C@H](C)N1CCN(c2ccc(N)cc2)CC1	ZINC000011756036	132320390	/nfs/dbraw/zinc/32/03/90/132320390.db2.gz	PIQNUMJYSNGQRD-LBPRGKRZSA-N	0	3	233.359	2.189	10	10		BECEHN
C/C=C/COc1ccc(N2CCNCC2)cc1	ZINC000035650816	132338819	/nfs/dbraw/zinc/33/88/19/132338819.db2.gz	HQYKOQVKDZJUPR-NSCUHMNNSA-N	0	3	232.327	2.051	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-]	ZINC000249174623	135035872	/nfs/dbraw/zinc/03/58/72/135035872.db2.gz	LXAJAYFVXHQQLK-BFHYXJOUSA-N	0	3	247.338	2.358	10	10		BECEHN
CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000297744203	410047466	/nfs/dbraw/zinc/04/74/66/410047466.db2.gz	OBOXLGPDCUWIOD-DGCLKSJQSA-N	0	3	249.354	2.376	10	10		BECEHN
CC(C)[C@@H](C)N(C)CC(=O)Nc1ccc(N)cc1	ZINC000036786505	167368084	/nfs/dbraw/zinc/36/80/84/167368084.db2.gz	GUCXNWXHNYLACT-LLVKDONJSA-N	0	3	249.358	2.184	10	10		BECEHN
CCOCCC[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000019962983	170381988	/nfs/dbraw/zinc/38/19/88/170381988.db2.gz	RQHOFCMKSQSMHG-SNVBAGLBSA-N	0	3	239.315	2.175	10	10		BECEHN
COc1ccc([O-])c(C[NH2+]C2CCC2)c1	ZINC000052207539	175158541	/nfs/dbraw/zinc/15/85/41/175158541.db2.gz	FTJDGRUEVPMEIR-UHFFFAOYSA-N	0	3	207.273	2.043	10	10		BECEHN
COc1ccc([C@H]([NH3+])c2ccccc2)c([O-])c1	ZINC000021966800	175192817	/nfs/dbraw/zinc/19/28/17/175192817.db2.gz	JCIIGUMSSXZLOY-CQSZACIVSA-N	0	3	229.279	2.449	10	10		BECEHN
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1[O-]	ZINC000245847034	176324550	/nfs/dbraw/zinc/32/45/50/176324550.db2.gz	CIRLETGMTNOXEE-OCCSQVGLSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1[O-]	ZINC000245847034	176324551	/nfs/dbraw/zinc/32/45/51/176324551.db2.gz	CIRLETGMTNOXEE-OCCSQVGLSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@H]([NH2+]Cc1ccc(O)cc1[O-])c1ccncc1	ZINC000020121172	176875172	/nfs/dbraw/zinc/87/51/72/176875172.db2.gz	ZRUISXQAIRIVRG-JTQLQIEISA-N	0	3	244.294	2.344	10	10		BECEHN
C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H]1C	ZINC000037909698	177111796	/nfs/dbraw/zinc/11/17/96/177111796.db2.gz	HFDCYCBXDYJSDB-QWRGUYRKSA-N	0	3	247.342	2.080	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2CCCCC[C@H]2O)c1	ZINC000135623990	491121184	/nfs/dbraw/zinc/12/11/84/491121184.db2.gz	QSHJWZMJPIKMBB-UKRRQHHQSA-N	0	3	249.354	2.484	10	10		BECEHN
Cc1cccc(C[NH2+]CC[C@H]2CCCO2)c1[O-]	ZINC000124695155	590075487	/nfs/dbraw/zinc/07/54/87/590075487.db2.gz	WYWWKEFQQZMUKE-CYBMUJFWSA-N	0	3	235.327	2.359	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1[O-]	ZINC000127875899	590824510	/nfs/dbraw/zinc/82/45/10/590824510.db2.gz	PTFNZYGMWWCBIQ-OLZOCXBDSA-N	0	3	235.327	2.094	10	10		BECEHN
C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000308907558	632393643	/nfs/dbraw/zinc/39/36/43/632393643.db2.gz	PJGSHLZDDLRLIQ-DVVUODLYSA-N	0	3	203.285	2.378	10	10		BECEHN
C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1[O-]	ZINC000037166098	712549846	/nfs/dbraw/zinc/54/98/46/712549846.db2.gz	VBJMPIMXLLEPPD-TUAOUCFPSA-N	0	3	235.327	2.346	10	10		BECEHN
Cc1cc(Cl)cc(C[NH2+]CC(C)(C)O)c1[O-]	ZINC000133193478	178064401	/nfs/dbraw/zinc/06/44/01/178064401.db2.gz	UDHGTUHJKBATJW-UHFFFAOYSA-N	0	3	243.734	2.215	10	10		BECEHN
Cc1cc(Br)cc([C@@H]([NH3+])CF)c1[O-]	ZINC000238462189	345053384	/nfs/dbraw/zinc/05/33/84/345053384.db2.gz	TXFKZGGDDQQTGF-QMMMGPOBSA-N	0	3	248.095	2.432	10	10		BECEHN
Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N(C)C)C2)c1[O-]	ZINC000160191743	179085228	/nfs/dbraw/zinc/08/52/28/179085228.db2.gz	RHNPZSVRRYSPRG-GXTWGEPZSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](N(C)C)C2)c1[O-]	ZINC000160191743	179085229	/nfs/dbraw/zinc/08/52/29/179085229.db2.gz	RHNPZSVRRYSPRG-GXTWGEPZSA-N	0	3	248.370	2.083	10	10		BECEHN
Cc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-]	ZINC000188570749	357562553	/nfs/dbraw/zinc/56/25/53/357562553.db2.gz	LXAJAYFVXHQQLK-MCIONIFRSA-N	0	3	247.338	2.358	10	10		BECEHN
Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1	ZINC000190336768	357700816	/nfs/dbraw/zinc/70/08/16/357700816.db2.gz	LESFUOJCEOUOSC-UMVBOHGHSA-N	0	3	247.338	2.358	10	10		BECEHN
COc1ccc2c(c1)CCCN2CCN(C)C	ZINC000584612928	358276777	/nfs/dbraw/zinc/27/67/77/358276777.db2.gz	UVZQAAHMXPPZJO-UHFFFAOYSA-N	0	3	234.343	2.009	10	10		BECEHN
CC[C@H](c1ccccc1O)N1CCOCC1	ZINC000132447207	371824597	/nfs/dbraw/zinc/82/45/97/371824597.db2.gz	XRCFXVMQCMIQOO-GFCCVEGCSA-N	0	3	221.300	2.176	10	10		BECEHN
CCOc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1[O-]	ZINC000052270888	384725444	/nfs/dbraw/zinc/72/54/44/384725444.db2.gz	QFUKZBBNUFJRLH-GXSJLCMTSA-N	0	3	221.300	2.289	10	10		BECEHN
Cc1ccc([O-])c([C@H]([NH3+])CC(F)F)c1	ZINC000575437454	387107248	/nfs/dbraw/zinc/10/72/48/387107248.db2.gz	FYAMBUXZILMAJL-MRVPVSSYSA-N	0	3	201.216	2.356	10	10		BECEHN
CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]2CCO[C@H]21	ZINC000229012440	387137286	/nfs/dbraw/zinc/13/72/86/387137286.db2.gz	AVXKSXVKZQUNDO-IACUBPJLSA-N	0	3	247.338	2.295	10	10		BECEHN
NCc1cccnc1Sc1nccs1	ZINC000040677109	388424558	/nfs/dbraw/zinc/42/45/58/388424558.db2.gz	XCALQWKSFVZYOF-UHFFFAOYSA-N	0	3	223.326	2.148	10	10		BECEHN
CC[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1[O-]	ZINC000091524153	388764647	/nfs/dbraw/zinc/76/46/47/388764647.db2.gz	QYHAXELNEHLPAN-GCZXYKMCSA-N	0	3	235.327	2.204	10	10		BECEHN
Cc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)c([O-])c1	ZINC000091538893	388766616	/nfs/dbraw/zinc/76/66/16/388766616.db2.gz	BFBRQIRBNAUQMO-VOMCLLRMSA-N	0	3	235.327	2.122	10	10		BECEHN
Cc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1[O-]	ZINC000224929184	134352489	/nfs/dbraw/zinc/35/24/89/134352489.db2.gz	HHSHYSCFQPLPJZ-ZFWWWQNUSA-N	0	3	247.338	2.358	10	10		BECEHN
CC(C)(C)[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000297744205	410046952	/nfs/dbraw/zinc/04/69/52/410046952.db2.gz	OBOXLGPDCUWIOD-WCQYABFASA-N	0	3	249.354	2.376	10	10		BECEHN
CC1=CCN(Cc2ccc(N)cc2)CC1	ZINC000075423276	168115732	/nfs/dbraw/zinc/11/57/32/168115732.db2.gz	DWNIAUCGTCUUNW-UHFFFAOYSA-N	0	3	202.301	2.421	10	10		BECEHN
CCC(C)(C)[NH2+]Cc1ccc(O)cc1[O-]	ZINC000019879791	168299327	/nfs/dbraw/zinc/29/93/27/168299327.db2.gz	FOGORKNZMUXBTJ-UHFFFAOYSA-N	0	3	209.289	2.376	10	10		BECEHN
COc1ccc([C@H](C)[NH2+]C(C)C)c([O-])c1	ZINC000020085547	175188610	/nfs/dbraw/zinc/18/86/10/175188610.db2.gz	NRYHITMJUAARHW-VIFPVBQESA-N	0	3	209.289	2.460	10	10		BECEHN
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1[O-]	ZINC000156075510	176322493	/nfs/dbraw/zinc/32/24/93/176322493.db2.gz	CIRLETGMTNOXEE-TZMCWYRMSA-N	0	3	246.354	2.061	10	10		BECEHN
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1[O-]	ZINC000156075510	176322494	/nfs/dbraw/zinc/32/24/94/176322494.db2.gz	CIRLETGMTNOXEE-TZMCWYRMSA-N	0	3	246.354	2.061	10	10		BECEHN
COc1cc(Cl)cc([C@H]([NH3+])C2CC2)c1[O-]	ZINC000757132773	643256105	/nfs/dbraw/zinc/25/61/05/643256105.db2.gz	JYLDQFRLEIWACV-SNVBAGLBSA-N	0	3	227.691	2.464	10	10		BECEHN