smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C[NH+]1CCCC1	ZINC000019575084	202012606	/nfs/dbraw/zinc/01/26/06/202012606.db2.gz	WGLHMORYDHPQNY-XLIONFOSSA-N	2	0	343.515	2.960	40	0		EFABRP
C[NH+](C)CCn1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc21	ZINC000019583289	202013110	/nfs/dbraw/zinc/01/31/10/202013110.db2.gz	QUCYDMVADICKGL-SFHVURJKSA-N	2	0	349.482	2.982	40	0		EFABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c[nH]nc2C)CC1	ZINC000078553354	202396235	/nfs/dbraw/zinc/39/62/35/202396235.db2.gz	YXGKRWHGMAHQST-HNNXBMFYSA-N	2	0	345.466	2.850	40	0		EFABRP
CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@H+](C)Cc1ccccc1	ZINC000225798246	240231957	/nfs/dbraw/zinc/23/19/57/240231957.db2.gz	FZTNILPKQWBBHC-LJQANCHMSA-N	2	0	331.504	2.886	40	0		EFABRP
C[C@](O)(C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000090891684	203057564	/nfs/dbraw/zinc/05/75/64/203057564.db2.gz	JLPBCFNTBOBVIM-FQEVSTJZSA-N	2	0	343.446	2.682	40	0		EFABRP
c1csc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1	ZINC000253596937	244032120	/nfs/dbraw/zinc/03/21/20/244032120.db2.gz	YHQPVYQVOWOHRO-FUHWJXTLSA-N	2	0	336.501	2.594	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccs1)C2	ZINC000107738637	204245714	/nfs/dbraw/zinc/24/57/14/204245714.db2.gz	WQGHIKMQBOWTSA-FUHWJXTLSA-N	2	0	338.517	2.696	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3cccs3)C2)O1	ZINC000107739531	204247464	/nfs/dbraw/zinc/24/74/64/204247464.db2.gz	QPYBOZQNUNPMEE-WMZOPIPTSA-N	2	0	338.517	2.838	40	0		EFABRP
C[NH+](C)C/C=C/C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000095399367	218332683	/nfs/dbraw/zinc/33/26/83/218332683.db2.gz	USDYWACAHVPLMJ-VMPITWQZSA-N	2	0	349.906	2.786	40	0		EFABRP
CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079404668	276138822	/nfs/dbraw/zinc/13/88/22/276138822.db2.gz	QISDJJMZIQYXSQ-MOPGFXCFSA-N	2	0	331.504	2.873	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C(C)C	ZINC000079415891	280272708	/nfs/dbraw/zinc/27/27/08/280272708.db2.gz	YDKIQWRKZAIAAZ-OALUTQOASA-N	2	0	331.504	2.871	40	0		EFABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096047973	473268380	/nfs/dbraw/zinc/26/83/80/473268380.db2.gz	GHFCZYCTCSUJHM-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
COc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096047950	473268693	/nfs/dbraw/zinc/26/86/93/473268693.db2.gz	VVKWLHRIUFAJLA-SFHVURJKSA-N	2	0	330.472	2.915	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096048015	473269724	/nfs/dbraw/zinc/26/97/24/473269724.db2.gz	RIFUSDVGRDOEIG-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1cccs1)C2	ZINC000096051977	473276734	/nfs/dbraw/zinc/27/67/34/473276734.db2.gz	WQGHIKMQBOWTSA-WMZOPIPTSA-N	2	0	338.517	2.696	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1	ZINC000096055165	473277999	/nfs/dbraw/zinc/27/79/99/473277999.db2.gz	SGCDWWBDNBSCNK-UYAOXDASSA-N	2	0	341.455	2.706	40	0		EFABRP
c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cs1	ZINC000096055163	473278816	/nfs/dbraw/zinc/27/88/16/473278816.db2.gz	LVIVNCKPUBJPHE-RTBURBONSA-N	2	0	343.496	2.866	40	0		EFABRP
CC(=O)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21	ZINC000096064380	473286620	/nfs/dbraw/zinc/28/66/20/473286620.db2.gz	WFGGOUAJDCEZMY-AOIWGVFYSA-N	2	0	347.528	2.655	40	0		EFABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1	ZINC000112680567	473293915	/nfs/dbraw/zinc/29/39/15/473293915.db2.gz	VFXVCSHMSDAPAS-UHFFFAOYSA-N	2	0	345.531	2.911	40	0		EFABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)o1	ZINC000096106677	473298885	/nfs/dbraw/zinc/29/88/85/473298885.db2.gz	DNTKNDFIWXYIPB-LJQANCHMSA-N	2	0	348.487	2.824	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1	ZINC000096159271	473319544	/nfs/dbraw/zinc/31/95/44/473319544.db2.gz	NQDYLNHRMKMGJC-UHFFFAOYSA-N	2	0	339.487	2.692	40	0		EFABRP
Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C[NH+](C)C)CC3)CC2)cc1	ZINC000096158426	473318668	/nfs/dbraw/zinc/31/86/68/473318668.db2.gz	XCSDXEHAGZPBNH-UHFFFAOYSA-N	2	0	343.515	2.761	40	0		EFABRP
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)CC1	ZINC000096186310	473327264	/nfs/dbraw/zinc/32/72/64/473327264.db2.gz	XTWHFYKAZMLESJ-QZTJIDSGSA-N	2	0	347.528	2.655	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1cccs1)CC2	ZINC000096208111	473342160	/nfs/dbraw/zinc/34/21/60/473342160.db2.gz	JUWUGLDCKSNFEM-INIZCTEOSA-N	2	0	338.517	2.697	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2	ZINC000096207550	473342208	/nfs/dbraw/zinc/34/22/08/473342208.db2.gz	UWXJRVBHBIUJCM-QGZVFWFLSA-N	2	0	348.487	2.637	40	0		EFABRP
Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC[NH+](C)C)CC2)s1	ZINC000096217719	473350649	/nfs/dbraw/zinc/35/06/49/473350649.db2.gz	LOZJFBJOQQOODY-LJQANCHMSA-N	2	0	349.544	2.965	40	0		EFABRP
Cc1cc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]23)cc(C)[nH+]1	ZINC000096219329	473351086	/nfs/dbraw/zinc/35/10/86/473351086.db2.gz	ZWLXKGHFQKNBOQ-KFKAGJAMSA-N	2	0	327.428	2.552	40	0		EFABRP
CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000097238272	472486080	/nfs/dbraw/zinc/48/60/80/472486080.db2.gz	RKDGXXAFGLHXLF-YJBOKZPZSA-N	2	0	335.517	2.872	40	0		EFABRP
C[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1	ZINC000100766716	472528820	/nfs/dbraw/zinc/52/88/20/472528820.db2.gz	QXKDSUKKYGIQQV-IZAXUBKRSA-N	2	0	343.515	2.875	40	0		EFABRP
COc1c(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1C	ZINC000119322331	472545681	/nfs/dbraw/zinc/54/56/81/472545681.db2.gz	CGWOKXJPGWPDFP-UHFFFAOYSA-N	2	0	342.487	2.834	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000079415906	472861205	/nfs/dbraw/zinc/86/12/05/472861205.db2.gz	PGZTWVKPUCIVAU-IBGZPJMESA-N	2	0	331.504	2.871	40	0		EFABRP
Oc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1	ZINC000096453990	473429645	/nfs/dbraw/zinc/42/96/45/473429645.db2.gz	MSBWMSZANZFINV-UHFFFAOYSA-N	2	0	326.440	2.639	40	0		EFABRP
CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000195565165	474097789	/nfs/dbraw/zinc/09/77/89/474097789.db2.gz	FFALTFDBBMBPCY-OSAGKFRWSA-N	2	0	343.515	2.934	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)o1	ZINC000248063671	474253973	/nfs/dbraw/zinc/25/39/73/474253973.db2.gz	QTWXDAAEOHVMCC-RBUKOAKNSA-N	2	0	336.476	2.678	40	0		EFABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)[C@H]1O	ZINC000585289195	479309968	/nfs/dbraw/zinc/30/99/68/479309968.db2.gz	NTLYBCBEPXLXBY-CEWLAPEOSA-N	2	0	346.515	2.929	40	0		EFABRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(F)cc1	ZINC000003317519	210005410	/nfs/dbraw/zinc/00/54/10/210005410.db2.gz	JLNDHIDBTJTFEZ-UHFFFAOYSA-N	2	0	340.512	2.728	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000079404799	217219833	/nfs/dbraw/zinc/21/98/33/217219833.db2.gz	RUDMWZDUFOFUPG-FQEVSTJZSA-N	2	0	343.515	2.873	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C	ZINC000079404703	217220565	/nfs/dbraw/zinc/22/05/65/217220565.db2.gz	PUAWULFUHJTPSI-MOPGFXCFSA-N	2	0	331.504	2.729	40	0		EFABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C	ZINC000079415839	217223841	/nfs/dbraw/zinc/22/38/41/217223841.db2.gz	PCRUDJRGQDKPHN-OALUTQOASA-N	2	0	331.504	2.873	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096048014	473270069	/nfs/dbraw/zinc/27/00/69/473270069.db2.gz	RIFUSDVGRDOEIG-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
c1csc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1	ZINC000096052325	473275674	/nfs/dbraw/zinc/27/56/74/473275674.db2.gz	YHQPVYQVOWOHRO-AEFFLSMTSA-N	2	0	336.501	2.594	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccsc1)C2	ZINC000096051979	473275752	/nfs/dbraw/zinc/27/57/52/473275752.db2.gz	JIPAKPKOORNZOM-ROUUACIJSA-N	2	0	338.517	2.696	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CCC[N@H+](Cc4ccccn4)C3)CC2)cn1	ZINC000096158494	473318879	/nfs/dbraw/zinc/31/88/79/473318879.db2.gz	KLEUFWFOQDXKPM-UHFFFAOYSA-N	2	0	339.487	2.693	40	0		EFABRP
C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2	ZINC000096208162	473343392	/nfs/dbraw/zinc/34/33/92/473343392.db2.gz	MRVARIQBDDCYCG-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
C[NH+](C)CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccs1)C2	ZINC000096229854	473359776	/nfs/dbraw/zinc/35/97/76/473359776.db2.gz	YKRHNFJTSOWWDU-SFHVURJKSA-N	2	0	335.517	2.657	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C	ZINC000079404696	472860301	/nfs/dbraw/zinc/86/03/01/472860301.db2.gz	DVJZTSQKUMMMOB-MOPGFXCFSA-N	2	0	331.504	2.871	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3cccs3)C2)O1	ZINC000107739535	472980225	/nfs/dbraw/zinc/98/02/25/472980225.db2.gz	QPYBOZQNUNPMEE-AEFFLSMTSA-N	2	0	338.517	2.838	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccs1)C2	ZINC000107738633	472980366	/nfs/dbraw/zinc/98/03/66/472980366.db2.gz	WQGHIKMQBOWTSA-SJLPKXTDSA-N	2	0	338.517	2.696	40	0		EFABRP
Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)s1	ZINC000107747126	472980689	/nfs/dbraw/zinc/98/06/89/472980689.db2.gz	HEYIOBUAGCPJTH-RYQLBKOJSA-N	2	0	338.517	2.614	40	0		EFABRP
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)C1	ZINC000113947161	473427520	/nfs/dbraw/zinc/42/75/20/473427520.db2.gz	URRSPSUWLKRYOF-MRXNPFEDSA-N	2	0	329.488	2.743	40	0		EFABRP
Cc1cc(NCC[NH3+])c2cc(I)ccc2[nH+]1	ZINC000222687897	474172540	/nfs/dbraw/zinc/17/25/40/474172540.db2.gz	SEFGZGZJFLPZTH-UHFFFAOYSA-N	2	0	327.169	2.518	40	0		EFABRP
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000225447043	474213731	/nfs/dbraw/zinc/21/37/31/474213731.db2.gz	HFHWWCRPJVPLCB-FQEVSTJZSA-N	2	0	337.467	2.783	40	0		EFABRP
Cc1cccc(C[N@@H+]2C[C@H](COCC3CC3)C3(C2)CC[NH2+]CC3)n1	ZINC000247894046	474222206	/nfs/dbraw/zinc/22/22/06/474222206.db2.gz	WSFJQLAZPKHWBY-GOSISDBHSA-N	2	0	329.488	2.618	40	0		EFABRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C	ZINC000252539127	474695787	/nfs/dbraw/zinc/69/57/87/474695787.db2.gz	NSYMQKMCAVPJLY-FQBWVUSXSA-N	2	0	338.536	2.917	40	0		EFABRP
O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1C[N@H+](CC1CCCCC1)CC2	ZINC000257246800	474928150	/nfs/dbraw/zinc/92/81/50/474928150.db2.gz	IVWJDOYNHOEVKX-QGZVFWFLSA-N	2	0	330.476	2.935	40	0		EFABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000257319082	474951521	/nfs/dbraw/zinc/95/15/21/474951521.db2.gz	VQPTXBUFOPJWRI-MISYRCLQSA-N	2	0	343.515	2.780	40	0		EFABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCOCC1)CC2	ZINC000585103366	479284933	/nfs/dbraw/zinc/28/49/33/479284933.db2.gz	OOZVTQPHZZDIDT-KRWDZBQOSA-N	2	0	348.487	2.619	40	0		EFABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000585103927	479285153	/nfs/dbraw/zinc/28/51/53/479285153.db2.gz	UCYHUELTSFPQQH-IBGZPJMESA-N	2	0	329.488	2.652	40	0		EFABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000585104124	479286554	/nfs/dbraw/zinc/28/65/54/479286554.db2.gz	WRQCPHDNKOVNAT-KRWDZBQOSA-N	2	0	338.517	2.555	40	0		EFABRP
CN1CCC[C@H]1c1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n[nH]1	ZINC000585141210	479299064	/nfs/dbraw/zinc/29/90/64/479299064.db2.gz	RATMKWDSPJBQQS-SFHVURJKSA-N	2	0	341.459	2.533	40	0		EFABRP
CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O	ZINC000585288844	479309782	/nfs/dbraw/zinc/30/97/82/479309782.db2.gz	KFAZYHXTGAGERC-DFQSSKMNSA-N	2	0	334.504	2.977	40	0		EFABRP
C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2Cl)[C@@H]1O	ZINC000585288823	479310196	/nfs/dbraw/zinc/31/01/96/479310196.db2.gz	ARNRWJPQZXNZDQ-CGTJXYLNSA-N	2	0	340.895	2.932	40	0		EFABRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C	ZINC000225586105	564149861	/nfs/dbraw/zinc/14/98/61/564149861.db2.gz	NSYMQKMCAVPJLY-GFEQUFNTSA-N	2	0	338.536	2.917	40	0		EFABRP
C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2	ZINC000675009195	1099619643	/nfs/dbraw/zinc/61/96/43/1099619643.db2.gz	AXHMYDSWEGVZHG-QGZVFWFLSA-N	2	0	347.528	2.657	40	0		EFABRP
Cc1cccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)c1	ZINC000019234939	212007754	/nfs/dbraw/zinc/00/77/54/212007754.db2.gz	XOQGMTJPZQUJCD-QGZVFWFLSA-N	2	0	335.455	2.688	40	0		EFABRP
C[C@H]([NH2+]Cc1cccnc1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553310	217075613	/nfs/dbraw/zinc/07/56/13/217075613.db2.gz	GBJNFLHAINLNES-HNNXBMFYSA-N	2	0	328.435	2.823	40	0		EFABRP
CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079404677	217219921	/nfs/dbraw/zinc/21/99/21/217219921.db2.gz	MNCLUTOJRFGRIY-OALUTQOASA-N	2	0	331.504	2.730	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415902	217222821	/nfs/dbraw/zinc/22/28/21/217222821.db2.gz	RPBSGBNOOGDURV-MOPGFXCFSA-N	2	0	331.504	2.871	40	0		EFABRP
COc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000069171316	295134908	/nfs/dbraw/zinc/13/49/08/295134908.db2.gz	FEKOQCMLUZZJEJ-NRFANRHFSA-N	2	0	339.483	2.774	40	0		EFABRP
Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1C	ZINC000097102357	323213934	/nfs/dbraw/zinc/21/39/34/323213934.db2.gz	ZTWQXKPQVGYHDY-UHFFFAOYSA-N	2	0	332.492	2.793	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2nccs2)CC3)cn1	ZINC000096047214	473268463	/nfs/dbraw/zinc/26/84/63/473268463.db2.gz	YDQGGOUVSJLEKV-UHFFFAOYSA-N	2	0	345.516	2.755	40	0		EFABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096047972	473268930	/nfs/dbraw/zinc/26/89/30/473268930.db2.gz	GHFCZYCTCSUJHM-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC000096055161	473277911	/nfs/dbraw/zinc/27/79/11/473277911.db2.gz	IUORXDZPHVOVBO-IEBWSBKVSA-N	2	0	343.496	2.866	40	0		EFABRP
Cc1ccc(C[N@H+]2CCCC3(CCN(C(=O)C[NH+](C)C)CC3)C2)cc1	ZINC000096063023	473287259	/nfs/dbraw/zinc/28/72/59/473287259.db2.gz	KUPZAGVVKYHDSQ-UHFFFAOYSA-N	2	0	343.515	2.761	40	0		EFABRP
c1ccc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)cc1	ZINC000096206524	473340309	/nfs/dbraw/zinc/34/03/09/473340309.db2.gz	GMMJQMNCSPNAQB-FQEVSTJZSA-N	2	0	344.499	2.923	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](C1CCC1)CC2	ZINC000096208487	473345424	/nfs/dbraw/zinc/34/54/24/473345424.db2.gz	HVPBOBLZTZFGDF-LJQANCHMSA-N	2	0	329.488	2.937	40	0		EFABRP
C[NH+](C)CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccsc1)CC2	ZINC000096217708	473350340	/nfs/dbraw/zinc/35/03/40/473350340.db2.gz	KWPAQPXNCUCIIY-SFHVURJKSA-N	2	0	335.517	2.657	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC1CC1)CC2	ZINC000096240342	473361845	/nfs/dbraw/zinc/36/18/45/473361845.db2.gz	XYCRGGPYCUCEGF-MRXNPFEDSA-N	2	0	335.517	2.856	40	0		EFABRP
c1ccc(-c2ccc[n+](C[n+]3cccc(-c4ccccn4)c3)c2)nc1	ZINC000012943550	471806226	/nfs/dbraw/zinc/80/62/26/471806226.db2.gz	VRJIXCCCNIVACR-UHFFFAOYSA-N	2	0	326.403	2.891	40	0		EFABRP
CC(C)[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000097238275	472486441	/nfs/dbraw/zinc/48/64/41/472486441.db2.gz	RKDGXXAFGLHXLF-MAUKXSAKSA-N	2	0	335.517	2.872	40	0		EFABRP
CC1CC[NH+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1	ZINC000113947634	473427642	/nfs/dbraw/zinc/42/76/42/473427642.db2.gz	JAWURTLCAMWWLE-UHFFFAOYSA-N	2	0	329.488	2.743	40	0		EFABRP
COC1CCC([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1	ZINC000195560447	474095637	/nfs/dbraw/zinc/09/56/37/474095637.db2.gz	QQLDRFKPOZDKAC-MHJFOBGBSA-N	2	0	331.504	2.522	40	0		EFABRP
COCC[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCC1)CC2	ZINC000247896370	474222433	/nfs/dbraw/zinc/22/24/33/474222433.db2.gz	UXUGYURLLIEADA-GOSISDBHSA-N	2	0	336.520	2.626	40	0		EFABRP
CCN1CC[C@H]([NH2+]C2CCN(C)CC2)[C@H]1c1cc(F)c(F)c(F)c1	ZINC000253370729	474727689	/nfs/dbraw/zinc/72/76/89/474727689.db2.gz	VGCPTLVXNDXEMQ-FUHWJXTLSA-N	2	0	341.421	2.923	40	0		EFABRP
C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C	ZINC000257343253	474965570	/nfs/dbraw/zinc/96/55/70/474965570.db2.gz	ZSDOIEQHUBYTOL-WKILWMFISA-N	2	0	334.508	2.524	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2ccc(CN(C)Cc3ccn(C)n3)cc2)C[C@H](C)O1	ZINC000585142262	479299832	/nfs/dbraw/zinc/29/98/32/479299832.db2.gz	RXSJWYSTDPAQHM-CALCHBBNSA-N	2	0	342.487	2.661	40	0		EFABRP
CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1	ZINC000585289556	479309525	/nfs/dbraw/zinc/30/95/25/479309525.db2.gz	ROXRPDAJLKDSKW-XUVXKRRUSA-N	2	0	332.488	2.810	40	0		EFABRP
CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585288616	479309948	/nfs/dbraw/zinc/30/99/48/479309948.db2.gz	FQXOIDSGYAOMJE-IPMKNSEASA-N	2	0	338.467	2.808	40	0		EFABRP
CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](CC3CC3)CC2)cc(C)[nH+]1	ZINC000072370961	216177677	/nfs/dbraw/zinc/17/76/77/216177677.db2.gz	UJQIVUOBPHQQHQ-HXUWFJFHSA-N	2	0	342.487	2.605	40	0		EFABRP
C[NH+](C)CCn1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc21	ZINC000019583286	212047192	/nfs/dbraw/zinc/04/71/92/212047192.db2.gz	QUCYDMVADICKGL-GOSISDBHSA-N	2	0	349.482	2.982	40	0		EFABRP
[NH3+]CCn1nc([C@H]2CC[N@H+](Cc3ccccc3F)C2)c2cccnc21	ZINC000019348812	212019779	/nfs/dbraw/zinc/01/97/79/212019779.db2.gz	BDVCVMNQANAKFH-HNNXBMFYSA-N	2	0	339.418	2.519	40	0		EFABRP
C[N@@H+]1CCCN(Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1	ZINC000078553024	217074071	/nfs/dbraw/zinc/07/40/71/217074071.db2.gz	GGNMATDDKXCIFB-UHFFFAOYSA-N	2	0	339.483	2.820	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404711	217219973	/nfs/dbraw/zinc/21/99/73/217219973.db2.gz	OJCKWVXKICVMSX-MOPGFXCFSA-N	2	0	331.504	2.871	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C	ZINC000079415865	217223832	/nfs/dbraw/zinc/22/38/32/217223832.db2.gz	JEBVIFPSNAJBGS-OTWHNJEPSA-N	2	0	331.504	2.919	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C	ZINC000079415871	217223319	/nfs/dbraw/zinc/22/33/19/217223319.db2.gz	JEBVIFPSNAJBGS-FHWLQOOXSA-N	2	0	331.504	2.919	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415895	217223459	/nfs/dbraw/zinc/22/34/59/217223459.db2.gz	JTIAEFDCMSYPFH-OALUTQOASA-N	2	0	331.504	2.729	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccsc1)C2	ZINC000096051980	473275212	/nfs/dbraw/zinc/27/52/12/473275212.db2.gz	JIPAKPKOORNZOM-MSOLQXFVSA-N	2	0	338.517	2.696	40	0		EFABRP
Cn1cccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC000096158675	473318167	/nfs/dbraw/zinc/31/81/67/473318167.db2.gz	RFBWHFHTJMMWPG-SFHVURJKSA-N	2	0	343.471	2.874	40	0		EFABRP
C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)O2)CC1	ZINC000096207510	473343111	/nfs/dbraw/zinc/34/31/11/473343111.db2.gz	MJOOPPGFJDCGGB-RTBURBONSA-N	2	0	349.544	2.509	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1cccs1)CC2	ZINC000096208110	473343183	/nfs/dbraw/zinc/34/31/83/473343183.db2.gz	JUWUGLDCKSNFEM-MRXNPFEDSA-N	2	0	338.517	2.697	40	0		EFABRP
c1cc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)co1	ZINC000096206944	473343484	/nfs/dbraw/zinc/34/34/84/473343484.db2.gz	XNVIEUVXAOMBNV-GOSISDBHSA-N	2	0	334.460	2.516	40	0		EFABRP
O=C1CCC2(CC[NH+](Cc3cccs3)CC2)N1CC[NH+]1CCCC1	ZINC000096228136	473359097	/nfs/dbraw/zinc/35/90/97/473359097.db2.gz	OEPHKJBIYZGJSY-UHFFFAOYSA-N	2	0	347.528	2.801	40	0		EFABRP
CN(C(=O)OCc1ccccc1)C1(C[NH+]2CCCC2)CC[NH+](C)CC1	ZINC000002580985	471411172	/nfs/dbraw/zinc/41/11/72/471411172.db2.gz	OCRVFCRUVANALS-UHFFFAOYSA-N	2	0	345.487	2.815	40	0		EFABRP
CNc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc2c1CC[NH2+]C2	ZINC000019711337	471983570	/nfs/dbraw/zinc/98/35/70/471983570.db2.gz	QZOHRZTUMPEVEC-OAHLLOKOSA-N	2	0	341.503	2.700	40	0		EFABRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCCCC2)CC1	ZINC000076325029	472320136	/nfs/dbraw/zinc/32/01/36/472320136.db2.gz	KGEFRCSUYOFHHZ-UHFFFAOYSA-N	2	0	337.552	2.983	40	0		EFABRP
CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1	ZINC000097238270	472486574	/nfs/dbraw/zinc/48/65/74/472486574.db2.gz	RKDGXXAFGLHXLF-QAPCUYQASA-N	2	0	335.517	2.872	40	0		EFABRP
Cc1nc(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1	ZINC000120476562	472695953	/nfs/dbraw/zinc/69/59/53/472695953.db2.gz	XNYDSMYMPFUSHB-GASCZTMLSA-N	2	0	337.533	2.815	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]21	ZINC000107197531	472932504	/nfs/dbraw/zinc/93/25/04/472932504.db2.gz	YOYZGQQPDOCDEE-HOJAQTOUSA-N	2	0	329.488	2.793	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2	ZINC000107738641	472980002	/nfs/dbraw/zinc/98/00/02/472980002.db2.gz	JIPAKPKOORNZOM-QZTJIDSGSA-N	2	0	338.517	2.696	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)o1	ZINC000107738658	472980775	/nfs/dbraw/zinc/98/07/75/472980775.db2.gz	YIMMSJKPSSVFQZ-PKOBYXMFSA-N	2	0	336.476	2.536	40	0		EFABRP
C[NH+](C)[C@H]1CCOC2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1	ZINC000108528225	473036337	/nfs/dbraw/zinc/03/63/37/473036337.db2.gz	IWZMNDQMPKINCF-SFHVURJKSA-N	2	0	330.472	2.697	40	0		EFABRP
[NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1	ZINC000195560495	474095614	/nfs/dbraw/zinc/09/56/14/474095614.db2.gz	FCMVQVZPQRVGQH-VQTJNVASSA-N	2	0	343.515	2.671	40	0		EFABRP
c1snnc1CN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195560532	474096004	/nfs/dbraw/zinc/09/60/04/474096004.db2.gz	MOODXJKMMJJRAQ-SZMVWBNQSA-N	2	0	328.485	2.928	40	0		EFABRP
C[N@@H+]1CCC[C@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21	ZINC000230182181	474260162	/nfs/dbraw/zinc/26/01/62/474260162.db2.gz	AZXCNRWFSJJBRE-VQTJNVASSA-N	3	0	349.563	2.685	40	0		EFABRP
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@@H]1CCOC1=O	ZINC000189955689	474517465	/nfs/dbraw/zinc/51/74/65/474517465.db2.gz	NSUPBLUQZXBJMS-JFIYKMOQSA-N	2	0	330.472	2.686	40	0		EFABRP
C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1	ZINC000585272914	479305004	/nfs/dbraw/zinc/30/50/04/479305004.db2.gz	NITZVHDXTYDNGZ-HXUWFJFHSA-N	2	0	328.456	2.792	40	0		EFABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CC3CC[NH+](C)CC3)[C@H]2O)c1	ZINC000585289170	479309076	/nfs/dbraw/zinc/30/90/76/479309076.db2.gz	NHTGKFAHGXHQGU-XUVXKRRUSA-N	2	0	332.488	2.587	40	0		EFABRP
O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCC[NH+]1CCCC1	ZINC000585288446	479309318	/nfs/dbraw/zinc/30/93/18/479309318.db2.gz	AUANIYCLLDNWPV-XUVXKRRUSA-N	2	0	332.488	2.813	40	0		EFABRP
[NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)c2cccnc21	ZINC000019348810	202006326	/nfs/dbraw/zinc/00/63/26/202006326.db2.gz	BDVCVMNQANAKFH-OAHLLOKOSA-N	2	0	339.418	2.519	40	0		EFABRP
COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1C[NH+]1CCCC1	ZINC000019575086	202014190	/nfs/dbraw/zinc/01/41/90/202014190.db2.gz	WGLHMORYDHPQNY-YLJYHZDGSA-N	2	0	343.515	2.960	40	0		EFABRP
C[NH+](C)CC(C)(C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1Cc1ccccc1	ZINC000043568693	202514090	/nfs/dbraw/zinc/51/40/90/202514090.db2.gz	MDEDTPMQZLYQPV-VQTJNVASSA-N	2	0	329.532	2.966	40	0		EFABRP
Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1	ZINC000090882483	203058162	/nfs/dbraw/zinc/05/81/62/203058162.db2.gz	VJVYQEXGFZBXNZ-CQSZACIVSA-N	2	0	347.484	2.656	40	0		EFABRP
COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C[NH+]1CCCC1	ZINC000072324491	203201568	/nfs/dbraw/zinc/20/15/68/203201568.db2.gz	WGLHMORYDHPQNY-FXAWDEMLSA-N	2	0	343.515	2.960	40	0		EFABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096047977	473268484	/nfs/dbraw/zinc/26/84/84/473268484.db2.gz	CZBFXMSDEOILCT-IBGZPJMESA-N	2	0	341.455	2.930	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)o1	ZINC000096051984	473275565	/nfs/dbraw/zinc/27/55/65/473275565.db2.gz	YIMMSJKPSSVFQZ-IEBWSBKVSA-N	2	0	336.476	2.536	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1	ZINC000096051553	473276341	/nfs/dbraw/zinc/27/63/41/473276341.db2.gz	BTLACERURYMNAX-GOSISDBHSA-N	2	0	328.460	2.890	40	0		EFABRP
c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)nc1	ZINC000096158383	473317440	/nfs/dbraw/zinc/31/74/40/473317440.db2.gz	WGCVGIOUXHNWKN-GOSISDBHSA-N	2	0	329.488	2.796	40	0		EFABRP
C[NH+]1CCC(COC[C@@H]2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccoc3)O2)CC1	ZINC000096186108	473325819	/nfs/dbraw/zinc/32/58/19/473325819.db2.gz	GFTLWOCASNWEEC-UFYCRDLUSA-N	2	0	348.487	2.760	40	0		EFABRP
C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccccn1)CC2	ZINC000096207051	473343805	/nfs/dbraw/zinc/34/38/05/473343805.db2.gz	JVLICVLIXATXOP-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
c1coc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)c1	ZINC000096206009	473341200	/nfs/dbraw/zinc/34/12/00/473341200.db2.gz	BNNLAUCYKAKEGI-GOSISDBHSA-N	2	0	334.460	2.516	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](CC1CC1)CC2	ZINC000096206932	473342237	/nfs/dbraw/zinc/34/22/37/473342237.db2.gz	QRRHRKMUIMODCE-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
CC[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](CC3CC3)C2)C1	ZINC000096219099	473351866	/nfs/dbraw/zinc/35/18/66/473351866.db2.gz	BYYJFHCFBWKSNH-WOJBJXKFSA-N	2	0	329.488	2.652	40	0		EFABRP
CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)o1	ZINC000096249665	473364884	/nfs/dbraw/zinc/36/48/84/473364884.db2.gz	YWMZAZGTEGFLRL-OXQOHEQNSA-N	2	0	348.487	2.544	40	0		EFABRP
CNc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc2c1CC[NH2+]C2	ZINC000019711336	471982816	/nfs/dbraw/zinc/98/28/16/471982816.db2.gz	QZOHRZTUMPEVEC-HNNXBMFYSA-N	2	0	341.503	2.700	40	0		EFABRP
C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C	ZINC000100687590	472528146	/nfs/dbraw/zinc/52/81/46/472528146.db2.gz	ZSDOIEQHUBYTOL-IYBDPMFKSA-N	2	0	334.508	2.524	40	0		EFABRP
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)C1	ZINC000113947163	473426959	/nfs/dbraw/zinc/42/69/59/473426959.db2.gz	URRSPSUWLKRYOF-INIZCTEOSA-N	2	0	329.488	2.743	40	0		EFABRP
CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000195565169	474097167	/nfs/dbraw/zinc/09/71/67/474097167.db2.gz	FFALTFDBBMBPCY-SJEKWGBGSA-N	2	0	343.515	2.934	40	0		EFABRP
CC(=O)NC1CCC([NH2+]C[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000195565167	474097754	/nfs/dbraw/zinc/09/77/54/474097754.db2.gz	FFALTFDBBMBPCY-ZBRPZPHNSA-N	2	0	343.515	2.934	40	0		EFABRP
Cc1cc(NCCC[NH3+])c2cc(I)ccc2[nH+]1	ZINC000222687978	474172227	/nfs/dbraw/zinc/17/22/27/474172227.db2.gz	IALGWKIVGRLZEV-UHFFFAOYSA-N	2	0	341.196	2.909	40	0		EFABRP
Cc1nccn1-c1ccc([C@@H](C)Nc2nc3c(cnn3C)c(N)n2)cc1	ZINC000225513018	474219154	/nfs/dbraw/zinc/21/91/54/474219154.db2.gz	BCVBUXVVASCCBW-LLVKDONJSA-N	2	0	348.414	2.613	40	0		EFABRP
Cc1cccc(C[N@@H+]2C[C@@H](COCC3CC3)C3(C2)CC[NH2+]CC3)n1	ZINC000247894051	474222884	/nfs/dbraw/zinc/22/28/84/474222884.db2.gz	WSFJQLAZPKHWBY-SFHVURJKSA-N	2	0	329.488	2.618	40	0		EFABRP
C[N@@H+]1CCC[C@@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21	ZINC000230182174	474259499	/nfs/dbraw/zinc/25/94/99/474259499.db2.gz	AZXCNRWFSJJBRE-WOJBJXKFSA-N	3	0	349.563	2.685	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCOC1=O	ZINC000249301669	474555811	/nfs/dbraw/zinc/55/58/11/474555811.db2.gz	NSUPBLUQZXBJMS-OGWHTMIXSA-N	2	0	330.472	2.686	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000242495314	474560200	/nfs/dbraw/zinc/56/02/00/474560200.db2.gz	GAHXESDVRZYYBY-FHWLQOOXSA-N	2	0	331.504	2.919	40	0		EFABRP
c1nn(CC[NH+]2CCCC2)c2c1C1(CC[NH2+]CC1)Oc1ccccc1-2	ZINC000306141417	474811952	/nfs/dbraw/zinc/81/19/52/474811952.db2.gz	VVMRAMFRWAFVPQ-UHFFFAOYSA-N	2	0	338.455	2.617	40	0		EFABRP
C[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1	ZINC000257295200	474936500	/nfs/dbraw/zinc/93/65/00/474936500.db2.gz	QXKDSUKKYGIQQV-UAPYVXQJSA-N	2	0	343.515	2.875	40	0		EFABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000100768865	219105552	/nfs/dbraw/zinc/10/55/52/219105552.db2.gz	VQPTXBUFOPJWRI-YSIASYRMSA-N	2	0	343.515	2.780	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1C	ZINC000019213928	212003893	/nfs/dbraw/zinc/00/38/93/212003893.db2.gz	ZJJPSLWBOLEJHV-GOSISDBHSA-N	2	0	349.482	2.996	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404713	217220215	/nfs/dbraw/zinc/22/02/15/217220215.db2.gz	OJCKWVXKICVMSX-OALUTQOASA-N	2	0	331.504	2.871	40	0		EFABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415847	217223285	/nfs/dbraw/zinc/22/32/85/217223285.db2.gz	MAPIXEMDPPZCGS-OALUTQOASA-N	2	0	331.504	2.730	40	0		EFABRP
CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COC)C2)CC1	ZINC000093337941	218216159	/nfs/dbraw/zinc/21/61/59/218216159.db2.gz	DFIQGGGEXLKQBJ-SFHVURJKSA-N	2	0	331.504	2.687	40	0		EFABRP
O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1	ZINC000095449972	218393674	/nfs/dbraw/zinc/39/36/74/218393674.db2.gz	PKBWHFFDGCXKDD-GOSISDBHSA-N	2	0	334.423	2.729	40	0		EFABRP
CC(C)C[C@H]([NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096156948	279174507	/nfs/dbraw/zinc/17/45/07/279174507.db2.gz	OLSKMQFBFJJURO-HNNXBMFYSA-N	2	0	335.879	2.681	40	0		EFABRP
C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096048042	473268139	/nfs/dbraw/zinc/26/81/39/473268139.db2.gz	HLVGCWYRHODOAV-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
c1csc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1	ZINC000096052326	473275388	/nfs/dbraw/zinc/27/53/88/473275388.db2.gz	YHQPVYQVOWOHRO-SJLPKXTDSA-N	2	0	336.501	2.594	40	0		EFABRP
Cc1ccc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)o1	ZINC000096106676	473298923	/nfs/dbraw/zinc/29/89/23/473298923.db2.gz	DNTKNDFIWXYIPB-IBGZPJMESA-N	2	0	348.487	2.824	40	0		EFABRP
Cn1cccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1	ZINC000096158676	473318739	/nfs/dbraw/zinc/31/87/39/473318739.db2.gz	RFBWHFHTJMMWPG-GOSISDBHSA-N	2	0	343.471	2.874	40	0		EFABRP
c1ccc(C[N@H+]2CC[C@]3(C[C@H](OCC[NH+]4CCCC4)CO3)C2)cc1	ZINC000096207968	473342957	/nfs/dbraw/zinc/34/29/57/473342957.db2.gz	YJZVTJNGUDVHOV-PMACEKPBSA-N	2	0	330.472	2.532	40	0		EFABRP
c1coc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)c1	ZINC000096206008	473339972	/nfs/dbraw/zinc/33/99/72/473339972.db2.gz	BNNLAUCYKAKEGI-SFHVURJKSA-N	2	0	334.460	2.516	40	0		EFABRP
c1ccc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)cc1	ZINC000096206525	473340248	/nfs/dbraw/zinc/34/02/48/473340248.db2.gz	GMMJQMNCSPNAQB-HXUWFJFHSA-N	2	0	344.499	2.923	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](C1CCC1)CC2	ZINC000096208725	473344737	/nfs/dbraw/zinc/34/47/37/473344737.db2.gz	ITBKYRBAEMCBFZ-LJQANCHMSA-N	2	0	329.488	2.937	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](C1CCC1)CC2	ZINC000096208724	473345656	/nfs/dbraw/zinc/34/56/56/473345656.db2.gz	ITBKYRBAEMCBFZ-IBGZPJMESA-N	2	0	329.488	2.937	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC1CC1)CC2	ZINC000096240368	473362248	/nfs/dbraw/zinc/36/22/48/473362248.db2.gz	OTYDVEJMMPOVOX-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1	ZINC000097238273	472486535	/nfs/dbraw/zinc/48/65/35/472486535.db2.gz	RKDGXXAFGLHXLF-CRAIPNDOSA-N	2	0	335.517	2.872	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@H](C)O1	ZINC000072394693	472663208	/nfs/dbraw/zinc/66/32/08/472663208.db2.gz	RKNINMNFKNFZLA-OKILXGFUSA-N	2	0	328.460	2.639	40	0		EFABRP
O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC[NH+](Cc2ccccc2)CC1	ZINC000065867875	473021266	/nfs/dbraw/zinc/02/12/66/473021266.db2.gz	IBUIPMUHJOCAJP-VQTJNVASSA-N	2	0	341.499	2.642	40	0		EFABRP
Cc1noc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000195557233	474094883	/nfs/dbraw/zinc/09/48/83/474094883.db2.gz	WYZVLHWUROFKSS-OKZBNKHCSA-N	2	0	326.444	2.768	40	0		EFABRP
C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Cl)cc2F)CC1	ZINC000225465878	474214849	/nfs/dbraw/zinc/21/48/49/474214849.db2.gz	UGYAYSJTSLREOC-UHFFFAOYSA-N	2	0	327.875	2.985	40	0		EFABRP
COc1ncccc1C[N@@H+]1CCC[C@]2(C[C@H](C[NH+](C)C3CC3)CO2)C1	ZINC000248032732	474247507	/nfs/dbraw/zinc/24/75/07/474247507.db2.gz	IOMFUNZZLXZSCQ-UZLBHIALSA-N	2	0	345.487	2.556	40	0		EFABRP
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@H]1CCOC1=O	ZINC000249301663	474555624	/nfs/dbraw/zinc/55/56/24/474555624.db2.gz	NSUPBLUQZXBJMS-NUJGCVRESA-N	2	0	330.472	2.686	40	0		EFABRP
Cc1cccc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)n1	ZINC000257315670	474949849	/nfs/dbraw/zinc/94/98/49/474949849.db2.gz	VCJDKSBSZBTAJY-UHFFFAOYSA-N	2	0	339.487	2.696	40	0		EFABRP
COC[C@@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](C1CCC1)CC2	ZINC000585103912	479284412	/nfs/dbraw/zinc/28/44/12/479284412.db2.gz	TZVZEYZMTQMQAI-SFHVURJKSA-N	2	0	336.520	2.626	40	0		EFABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCOCC1)CC2	ZINC000585103386	479284709	/nfs/dbraw/zinc/28/47/09/479284709.db2.gz	OOZVTQPHZZDIDT-QGZVFWFLSA-N	2	0	348.487	2.619	40	0		EFABRP
COC[C@H]1C[N@H+](CC2CCOCC2)CC12CC[NH+](C1CCC1)CC2	ZINC000585103904	479284875	/nfs/dbraw/zinc/28/48/75/479284875.db2.gz	TZVZEYZMTQMQAI-GOSISDBHSA-N	2	0	336.520	2.626	40	0		EFABRP
CC(=O)NC1CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1	ZINC000132778163	526699068	/nfs/dbraw/zinc/69/90/68/526699068.db2.gz	DYUAETKTFGZQEC-UHFFFAOYSA-N	2	0	349.544	2.997	40	0		EFABRP
c1cc(NC2CC[NH+](Cc3ccccc3)CC2)n(C2CC[NH2+]CC2)n1	ZINC000072399289	216192893	/nfs/dbraw/zinc/19/28/93/216192893.db2.gz	ANCQVSQUHXOFHX-UHFFFAOYSA-N	2	0	339.487	2.884	40	0		EFABRP
CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079404673	217220435	/nfs/dbraw/zinc/22/04/35/217220435.db2.gz	MNCLUTOJRFGRIY-MOPGFXCFSA-N	2	0	331.504	2.730	40	0		EFABRP
C[NH+](C)CCN(C(=O)c1ccc2sccc2c1)C1CC[NH+](C)CC1	ZINC000096472722	218850753	/nfs/dbraw/zinc/85/07/53/218850753.db2.gz	FLWAMCMNZUFFNH-UHFFFAOYSA-N	2	0	345.512	2.999	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)o1	ZINC000096052309	473276390	/nfs/dbraw/zinc/27/63/90/473276390.db2.gz	QTWXDAAEOHVMCC-MOPGFXCFSA-N	2	0	336.476	2.678	40	0		EFABRP
c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1	ZINC000096055174	473277772	/nfs/dbraw/zinc/27/77/72/473277772.db2.gz	YURKWFJEPMYZNM-IEBWSBKVSA-N	2	0	343.496	2.866	40	0		EFABRP
c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cs1	ZINC000096055176	473278632	/nfs/dbraw/zinc/27/86/32/473278632.db2.gz	MQJKXLPNQAOHJC-RTBURBONSA-N	2	0	343.496	2.866	40	0		EFABRP
Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)s1	ZINC000096055207	473279504	/nfs/dbraw/zinc/27/95/04/473279504.db2.gz	HEYIOBUAGCPJTH-BPQIPLTHSA-N	2	0	338.517	2.614	40	0		EFABRP
C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccco3)C[C@@H]21	ZINC000096056292	473281719	/nfs/dbraw/zinc/28/17/19/473281719.db2.gz	ZMSOJVXWNHNFSV-ZYSHUDEJSA-N	2	0	330.428	2.842	40	0		EFABRP
COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@H](C[NH+](C)C3CC3)CO2)C1	ZINC000096075658	473290579	/nfs/dbraw/zinc/29/05/79/473290579.db2.gz	IOMFUNZZLXZSCQ-OXQOHEQNSA-N	2	0	345.487	2.556	40	0		EFABRP
C[NH+]1CCN(c2cc([C@H]3c4ccccc4CCC[N@H+]3C)ccn2)CC1	ZINC000096087168	473293449	/nfs/dbraw/zinc/29/34/49/473293449.db2.gz	QHCAXUGFOAAYCE-NRFANRHFSA-N	2	0	336.483	2.801	40	0		EFABRP
Cc1cc(C)cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1	ZINC000096157743	473316180	/nfs/dbraw/zinc/31/61/80/473316180.db2.gz	SZROITGUXSCIJH-UHFFFAOYSA-N	2	0	343.515	2.680	40	0		EFABRP
CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+]4CCCC4)N3C)C2)o1	ZINC000096185586	473327000	/nfs/dbraw/zinc/32/70/00/473327000.db2.gz	TYVRJLPXOLDXHN-UWVAXJGDSA-N	2	0	331.504	2.832	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](C1CCC1)CC2	ZINC000096208486	473345625	/nfs/dbraw/zinc/34/56/25/473345625.db2.gz	HVPBOBLZTZFGDF-IBGZPJMESA-N	2	0	329.488	2.937	40	0		EFABRP
Cc1cc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)cc(C)[nH+]1	ZINC000096219451	473351058	/nfs/dbraw/zinc/35/10/58/473351058.db2.gz	DGVABUUROXZFOW-DFQSSKMNSA-N	2	0	339.439	2.619	40	0		EFABRP
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1)C2	ZINC000096219361	473351745	/nfs/dbraw/zinc/35/17/45/473351745.db2.gz	FTFUZLVBSZSKEJ-RTWAWAEBSA-N	2	0	328.500	2.909	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1	ZINC000096249679	473365340	/nfs/dbraw/zinc/36/53/40/473365340.db2.gz	SGCDWWBDNBSCNK-AZUAARDMSA-N	2	0	341.455	2.706	40	0		EFABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1	ZINC000006521288	471548930	/nfs/dbraw/zinc/54/89/30/471548930.db2.gz	YRWJOASWSWQYET-UHFFFAOYSA-N	2	0	335.492	2.504	40	0		EFABRP
OC1([C@H]2[NH2+]CCc3ccccc32)CC[NH+](CCc2ccccc2)CC1	ZINC000031759252	472392872	/nfs/dbraw/zinc/39/28/72/472392872.db2.gz	CFCHEFXZEZPWCS-NRFANRHFSA-N	2	0	336.479	2.943	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]21	ZINC000107197526	472932015	/nfs/dbraw/zinc/93/20/15/472932015.db2.gz	YOYZGQQPDOCDEE-YZGWKJHDSA-N	2	0	329.488	2.793	40	0		EFABRP
Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1	ZINC000195267095	474043408	/nfs/dbraw/zinc/04/34/08/474043408.db2.gz	NQVBJXQZCMJSHG-GOSISDBHSA-N	2	0	345.512	2.898	40	0		EFABRP
CC[NH+](CC)C[C@H]1CC2(CC[NH+](Cc3ccc(OC)c(O)c3)CC2)O1	ZINC000306139134	474811183	/nfs/dbraw/zinc/81/11/83/474811183.db2.gz	SQCBTQDCCKXTAC-QGZVFWFLSA-N	2	0	348.487	2.866	40	0		EFABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000585104126	479286202	/nfs/dbraw/zinc/28/62/02/479286202.db2.gz	WRQCPHDNKOVNAT-QGZVFWFLSA-N	2	0	338.517	2.555	40	0		EFABRP
C[N@@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2	ZINC000675009194	1099619362	/nfs/dbraw/zinc/61/93/62/1099619362.db2.gz	AXHMYDSWEGVZHG-KRWDZBQOSA-N	2	0	347.528	2.657	40	0		EFABRP
COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C[NH+]1CCCC1	ZINC000072324492	216151071	/nfs/dbraw/zinc/15/10/71/216151071.db2.gz	WGLHMORYDHPQNY-PXNSSMCTSA-N	2	0	343.515	2.960	40	0		EFABRP
CN[C@H](CC[NH2+]CCc1ccccc1)C[NH2+]CCc1ccccc1	ZINC000022873546	212330959	/nfs/dbraw/zinc/33/09/59/212330959.db2.gz	ZKKMRRIMNBEWTO-OAQYLSRUSA-N	2	0	325.500	2.629	40	0		EFABRP
CN[C@@H](CC[NH2+]CCc1ccccc1)C[NH2+]CCc1ccccc1	ZINC000019366536	212022965	/nfs/dbraw/zinc/02/29/65/212022965.db2.gz	ZKKMRRIMNBEWTO-NRFANRHFSA-N	2	0	325.500	2.629	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1C	ZINC000019213930	212005456	/nfs/dbraw/zinc/00/54/56/212005456.db2.gz	ZJJPSLWBOLEJHV-SFHVURJKSA-N	2	0	349.482	2.996	40	0		EFABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c[nH]nc2C)CC1	ZINC000078553350	217074823	/nfs/dbraw/zinc/07/48/23/217074823.db2.gz	YXGKRWHGMAHQST-OAHLLOKOSA-N	2	0	345.466	2.850	40	0		EFABRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079289678	217203974	/nfs/dbraw/zinc/20/39/74/217203974.db2.gz	IBUIPMUHJOCAJP-WOJBJXKFSA-N	2	0	341.499	2.642	40	0		EFABRP
CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000079415856	217224005	/nfs/dbraw/zinc/22/40/05/217224005.db2.gz	JYODLIQUJCEMEY-IBGZPJMESA-N	2	0	331.504	2.730	40	0		EFABRP
CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)CC1	ZINC000093337942	218215766	/nfs/dbraw/zinc/21/57/66/218215766.db2.gz	DFIQGGGEXLKQBJ-GOSISDBHSA-N	2	0	331.504	2.687	40	0		EFABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096047976	473269459	/nfs/dbraw/zinc/26/94/59/473269459.db2.gz	CZBFXMSDEOILCT-LJQANCHMSA-N	2	0	341.455	2.930	40	0		EFABRP
Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)cn1	ZINC000096081941	473293219	/nfs/dbraw/zinc/29/32/19/473293219.db2.gz	SAQSQZXYUPDPMP-YQVWRLOYSA-N	2	0	325.460	2.775	40	0		EFABRP
Cn1ccnc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccccn3)C2)CC1	ZINC000096159260	473319626	/nfs/dbraw/zinc/31/96/26/473319626.db2.gz	NHUSPHNCFOXIDN-UHFFFAOYSA-N	2	0	339.487	2.692	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)cn1	ZINC000096158375	473317422	/nfs/dbraw/zinc/31/74/22/473317422.db2.gz	HMPRHTJEPXQQAK-UHFFFAOYSA-N	2	0	339.487	2.693	40	0		EFABRP
C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccncc3)C[C@@H]21	ZINC000096185515	473326862	/nfs/dbraw/zinc/32/68/62/473326862.db2.gz	LWXDLDLNCSPPEQ-YSIASYRMSA-N	2	0	341.455	2.644	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cccnc1OC)CC2	ZINC000096206093	473340991	/nfs/dbraw/zinc/34/09/91/473340991.db2.gz	ATXJDOGTESTMPX-SFHVURJKSA-N	2	0	347.503	2.802	40	0		EFABRP
C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1	ZINC000096207381	473342043	/nfs/dbraw/zinc/34/20/43/473342043.db2.gz	RRBDUIABYFMICP-IEBWSBKVSA-N	2	0	349.544	2.509	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1ccsc1)CC2	ZINC000096207478	473342262	/nfs/dbraw/zinc/34/22/62/473342262.db2.gz	LPCLIWNUXNLAPW-KRWDZBQOSA-N	2	0	338.517	2.697	40	0		EFABRP
CC[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](CC3CC3)C2)C1	ZINC000096216764	473350230	/nfs/dbraw/zinc/35/02/30/473350230.db2.gz	BYYJFHCFBWKSNH-VQTJNVASSA-N	2	0	329.488	2.652	40	0		EFABRP
C[NH+](C)CCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000013673813	471837544	/nfs/dbraw/zinc/83/75/44/471837544.db2.gz	ADYBOLRSHBSIFV-UHFFFAOYSA-N	2	0	337.467	2.536	40	0		EFABRP
C[NH+](C)[C@@H]1CCOC2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1	ZINC000108528221	473035301	/nfs/dbraw/zinc/03/53/01/473035301.db2.gz	IWZMNDQMPKINCF-GOSISDBHSA-N	2	0	330.472	2.697	40	0		EFABRP
C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(Br)o2)CC1	ZINC000191614517	473560954	/nfs/dbraw/zinc/56/09/54/473560954.db2.gz	KIIDYHFFVHDLMZ-UHFFFAOYSA-N	2	0	344.297	2.548	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCOC1=O	ZINC000249301657	474555548	/nfs/dbraw/zinc/55/55/48/474555548.db2.gz	NSUPBLUQZXBJMS-JFRXWTBNSA-N	2	0	330.472	2.686	40	0		EFABRP
C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O	ZINC000585289370	479309686	/nfs/dbraw/zinc/30/96/86/479309686.db2.gz	ILSXUESKZVBWGB-GVDBMIGSSA-N	2	0	326.868	2.542	40	0		EFABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H]1O	ZINC000585288552	479309774	/nfs/dbraw/zinc/30/97/74/479309774.db2.gz	DNAXCPWQRPBSMB-DFQSSKMNSA-N	2	0	332.488	2.587	40	0		EFABRP
CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O	ZINC000585289695	479310397	/nfs/dbraw/zinc/31/03/97/479310397.db2.gz	VHRRAOFJJOABMF-XUVXKRRUSA-N	2	0	334.504	2.977	40	0		EFABRP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1	ZINC000093132909	203094138	/nfs/dbraw/zinc/09/41/38/203094138.db2.gz	XQKXLOPZIRQYAJ-IBGZPJMESA-N	2	0	343.515	2.612	40	0		EFABRP
Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)s1	ZINC000107747123	204247214	/nfs/dbraw/zinc/24/72/14/204247214.db2.gz	HEYIOBUAGCPJTH-KBAYOESNSA-N	2	0	338.517	2.614	40	0		EFABRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1	ZINC000095421705	218364178	/nfs/dbraw/zinc/36/41/78/218364178.db2.gz	QSGDWRDFRTUSDM-FQEVSTJZSA-N	2	0	337.467	2.755	40	0		EFABRP
OC1CC[NH+](Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)CC1	ZINC000095421974	218364367	/nfs/dbraw/zinc/36/43/67/218364367.db2.gz	IMDWRAYGGXHCJU-UHFFFAOYSA-N	2	0	336.479	2.900	40	0		EFABRP
C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048046	473268903	/nfs/dbraw/zinc/26/89/03/473268903.db2.gz	FWYHMRXLVKEIGG-LJQANCHMSA-N	2	0	341.455	2.930	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1	ZINC000096051552	473274932	/nfs/dbraw/zinc/27/49/32/473274932.db2.gz	BTLACERURYMNAX-SFHVURJKSA-N	2	0	328.460	2.890	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)o1	ZINC000096052310	473275504	/nfs/dbraw/zinc/27/55/04/473275504.db2.gz	QTWXDAAEOHVMCC-RTBURBONSA-N	2	0	336.476	2.678	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)o1	ZINC000096051983	473275977	/nfs/dbraw/zinc/27/59/77/473275977.db2.gz	YIMMSJKPSSVFQZ-MJGOQNOKSA-N	2	0	336.476	2.536	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2	ZINC000096073277	473288800	/nfs/dbraw/zinc/28/88/00/473288800.db2.gz	JOKLBSPFKZXZCK-SFHVURJKSA-N	2	0	348.487	2.762	40	0		EFABRP
COc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2	ZINC000096207980	473342087	/nfs/dbraw/zinc/34/20/87/473342087.db2.gz	ITOZRXVNKFPQBP-UYAOXDASSA-N	2	0	330.472	2.915	40	0		EFABRP
c1cc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)co1	ZINC000096206943	473342331	/nfs/dbraw/zinc/34/23/31/473342331.db2.gz	XNVIEUVXAOMBNV-SFHVURJKSA-N	2	0	334.460	2.516	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2	ZINC000096207551	473342754	/nfs/dbraw/zinc/34/27/54/473342754.db2.gz	UWXJRVBHBIUJCM-KRWDZBQOSA-N	2	0	348.487	2.637	40	0		EFABRP
C[NH+](C)CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccsc1)CC2	ZINC000096217705	473348611	/nfs/dbraw/zinc/34/86/11/473348611.db2.gz	KWPAQPXNCUCIIY-GOSISDBHSA-N	2	0	335.517	2.657	40	0		EFABRP
C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](Cc3cccnc3)C2)CC1	ZINC000096216942	473350435	/nfs/dbraw/zinc/35/04/35/473350435.db2.gz	LERRQXKPMZNMOD-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3)C2)C1	ZINC000096219830	473353349	/nfs/dbraw/zinc/35/33/49/473353349.db2.gz	RJOYMGXZJGUXAV-LEWJYISDSA-N	2	0	328.500	2.909	40	0		EFABRP
C[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](Cc3cccnc3)C2)CC1	ZINC000096216940	473348977	/nfs/dbraw/zinc/34/89/77/473348977.db2.gz	LERRQXKPMZNMOD-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
O=C(NCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000013680155	471836951	/nfs/dbraw/zinc/83/69/51/471836951.db2.gz	AHXCWZCSHUKYFA-UHFFFAOYSA-N	2	0	329.488	2.888	40	0		EFABRP
CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(O)CC2)CC1	ZINC000088668754	472379926	/nfs/dbraw/zinc/37/99/26/472379926.db2.gz	YWKMLOVDWUGASO-UHFFFAOYSA-N	2	0	331.504	2.612	40	0		EFABRP
CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1	ZINC000089158245	472391652	/nfs/dbraw/zinc/39/16/52/472391652.db2.gz	SELBSOSONQUJNP-SJORKVTESA-N	2	0	325.497	2.706	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079391096	472856669	/nfs/dbraw/zinc/85/66/69/472856669.db2.gz	GVKUPTSVHWKTTJ-IBGZPJMESA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404776	472859982	/nfs/dbraw/zinc/85/99/82/472859982.db2.gz	VDSYMKVGFGGHHM-OALUTQOASA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C	ZINC000079404705	472860090	/nfs/dbraw/zinc/86/00/90/472860090.db2.gz	PUAWULFUHJTPSI-OALUTQOASA-N	2	0	331.504	2.729	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404759	472860552	/nfs/dbraw/zinc/86/05/52/472860552.db2.gz	WBAQSTYLPZVOCK-MOPGFXCFSA-N	2	0	329.488	2.625	40	0		EFABRP
C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1	ZINC000113972539	473429910	/nfs/dbraw/zinc/42/99/10/473429910.db2.gz	PVAYKXBYFZJWEH-MRXNPFEDSA-N	2	0	349.906	2.762	40	0		EFABRP
[NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1	ZINC000195560497	474096619	/nfs/dbraw/zinc/09/66/19/474096619.db2.gz	FCMVQVZPQRVGQH-PMACEKPBSA-N	2	0	343.515	2.671	40	0		EFABRP
C[NH+](C)C1CCN(CC[NH2+]Cc2sccc2Br)CC1	ZINC000195564555	474097580	/nfs/dbraw/zinc/09/75/80/474097580.db2.gz	BNYQXAXHUUQLJE-UHFFFAOYSA-N	2	0	346.338	2.626	40	0		EFABRP
CN(C)c1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1	ZINC000228919587	474249517	/nfs/dbraw/zinc/24/95/17/474249517.db2.gz	JLCQAYDDSNHWAJ-UHFFFAOYSA-N	2	0	337.431	2.560	40	0		EFABRP
Cc1cccc(C[N@@H+]2C[C@H](COCC3CC3)C3(C2)CC[NH+](C)CC3)n1	ZINC000248097489	474258355	/nfs/dbraw/zinc/25/83/55/474258355.db2.gz	DEZBCZSSYVESPK-LJQANCHMSA-N	2	0	343.515	2.960	40	0		EFABRP
C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C[C@@H](C)O1	ZINC000253604039	474771330	/nfs/dbraw/zinc/77/13/30/474771330.db2.gz	RLUNQUGUQYERAZ-KFWWJZLASA-N	2	0	328.460	2.639	40	0		EFABRP
CNc1ncccc1C[N@@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257291459	474937049	/nfs/dbraw/zinc/93/70/49/474937049.db2.gz	QHANIWJDCZKHHG-OAHLLOKOSA-N	2	0	325.460	2.882	40	0		EFABRP
C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](C3CCCC3)C2)OC1	ZINC000585103267	479284169	/nfs/dbraw/zinc/28/41/69/479284169.db2.gz	ANIPLZYCANRVPT-SFHVURJKSA-N	2	0	329.488	2.937	40	0		EFABRP
C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](C3CCCC3)C2)OC1	ZINC000585103254	479284202	/nfs/dbraw/zinc/28/42/02/479284202.db2.gz	ANIPLZYCANRVPT-GOSISDBHSA-N	2	0	329.488	2.937	40	0		EFABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000100768867	219105739	/nfs/dbraw/zinc/10/57/39/219105739.db2.gz	VQPTXBUFOPJWRI-RLLQIKCJSA-N	2	0	343.515	2.780	40	0		EFABRP
OC1([C@@H]2[NH2+]CCc3ccccc32)CC[NH+](CCc2ccccc2)CC1	ZINC000001564982	209760485	/nfs/dbraw/zinc/76/04/85/209760485.db2.gz	CFCHEFXZEZPWCS-OAQYLSRUSA-N	2	0	336.479	2.943	40	0		EFABRP
c1ccc(C[NH2+]CCOCCOCC[NH2+]Cc2ccccc2)cc1	ZINC000039252219	213232541	/nfs/dbraw/zinc/23/25/41/213232541.db2.gz	FQEGBHFZAGTXDY-UHFFFAOYSA-N	2	0	328.456	2.599	40	0		EFABRP
c1csc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1	ZINC000253596938	244032163	/nfs/dbraw/zinc/03/21/63/244032163.db2.gz	YHQPVYQVOWOHRO-WMZOPIPTSA-N	2	0	336.501	2.594	40	0		EFABRP
Cc1ncsc1C[NH+]1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1	ZINC000257222535	244187526	/nfs/dbraw/zinc/18/75/26/244187526.db2.gz	DTRBQARXCHLWBK-UHFFFAOYSA-N	2	0	345.516	2.758	40	0		EFABRP
Nc1cc(CC[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)cc[nH+]1	ZINC000257234065	244223134	/nfs/dbraw/zinc/22/31/34/244223134.db2.gz	GRXOKROWBINHHB-QGZVFWFLSA-N	2	0	336.439	2.979	40	0		EFABRP
CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079404680	217220315	/nfs/dbraw/zinc/22/03/15/217220315.db2.gz	AKFOWVXYPSPDJD-IBGZPJMESA-N	2	0	331.504	2.730	40	0		EFABRP
C[N@@H+]1CCC[C@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21	ZINC000092043355	218108723	/nfs/dbraw/zinc/10/87/23/218108723.db2.gz	AZXCNRWFSJJBRE-PMACEKPBSA-N	2	0	349.563	2.685	40	0		EFABRP
Cc1ccccc1C[NH2+]C[C@H]1CC[C@@]2(COCC[N@@H+](C(C)C)C2)O1	ZINC000306134874	257921411	/nfs/dbraw/zinc/92/14/11/257921411.db2.gz	OAKBUENRMGKMFB-WOJBJXKFSA-N	2	0	332.488	2.743	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3cccs3)C2)O1	ZINC000096052303	473275038	/nfs/dbraw/zinc/27/50/38/473275038.db2.gz	QPYBOZQNUNPMEE-FUHWJXTLSA-N	2	0	338.517	2.838	40	0		EFABRP
[NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1	ZINC000082091706	473285990	/nfs/dbraw/zinc/28/59/90/473285990.db2.gz	FCMVQVZPQRVGQH-UXHICEINSA-N	2	0	343.515	2.671	40	0		EFABRP
C[NH+](C)CC(=O)N1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1	ZINC000096079209	473292001	/nfs/dbraw/zinc/29/20/01/473292001.db2.gz	FNYHIFWRFVKDDX-IBGZPJMESA-N	2	0	341.499	2.649	40	0		EFABRP
Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1	ZINC000096158888	473318256	/nfs/dbraw/zinc/31/82/56/473318256.db2.gz	DDVTZZACVKEGJY-FQEVSTJZSA-N	2	0	344.499	2.698	40	0		EFABRP
Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](COCC[NH+](C)C)CC[C@@H]32)s1	ZINC000096186066	473325890	/nfs/dbraw/zinc/32/58/90/473325890.db2.gz	DBCKAJMSWOWCEB-SZMVWBNQSA-N	2	0	338.517	2.757	40	0		EFABRP
C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccncc1)CC2	ZINC000096207788	473342418	/nfs/dbraw/zinc/34/24/18/473342418.db2.gz	CBKPYFIZPWXHRB-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1)C2	ZINC000096219376	473351646	/nfs/dbraw/zinc/35/16/46/473351646.db2.gz	FTFUZLVBSZSKEJ-SFTDATJTSA-N	2	0	328.500	2.909	40	0		EFABRP
O=C(C[N@H+](CC1CC1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1	ZINC000069608096	472380326	/nfs/dbraw/zinc/38/03/26/472380326.db2.gz	VKJOROMHENGULZ-UHFFFAOYSA-N	2	0	333.520	2.774	40	0		EFABRP
Cc1noc(C)c1C[N@@H+]1CCCC12CCN(CC[NH+]1CCCC1)CC2	ZINC000063527335	472787249	/nfs/dbraw/zinc/78/72/49/472787249.db2.gz	WIVDLVMUNCXTIF-UHFFFAOYSA-N	2	0	346.519	2.818	40	0		EFABRP
Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)s1	ZINC000107747120	472980730	/nfs/dbraw/zinc/98/07/30/472980730.db2.gz	HEYIOBUAGCPJTH-CGTJXYLNSA-N	2	0	338.517	2.614	40	0		EFABRP
Cc1ncsc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1	ZINC000096453992	473429342	/nfs/dbraw/zinc/42/93/42/473429342.db2.gz	KQODBJWXKSPAOG-UHFFFAOYSA-N	2	0	331.485	2.698	40	0		EFABRP
CC(C)[N@@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21	ZINC000306135812	474810730	/nfs/dbraw/zinc/81/07/30/474810730.db2.gz	PBQYRVZWIZNVHO-GIVPXCGWSA-N	2	0	342.531	2.851	40	0		EFABRP
Cc1cc(C[N@@H+]2CCc3nc(C4CC[NH2+]CC4)[nH]c(=O)c3C2)cs1	ZINC000257280917	474930314	/nfs/dbraw/zinc/93/03/14/474930314.db2.gz	OMYHVMWHTRDWJH-UHFFFAOYSA-N	2	0	344.484	2.577	40	0		EFABRP
CNc1ncccc1C[N@@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257291458	474936853	/nfs/dbraw/zinc/93/68/53/474936853.db2.gz	QHANIWJDCZKHHG-HNNXBMFYSA-N	2	0	325.460	2.882	40	0		EFABRP
O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1	ZINC000585288958	479309706	/nfs/dbraw/zinc/30/97/06/479309706.db2.gz	CAFFCJZNKMRHRH-IPMKNSEASA-N	2	0	336.451	2.562	40	0		EFABRP
Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)CC3CC[NH+](C)CC3)[C@H]2O)c1	ZINC000585288576	479310065	/nfs/dbraw/zinc/31/00/65/479310065.db2.gz	FCFVKWFDOCIWRE-PWRODBHTSA-N	2	0	346.515	2.929	40	0		EFABRP
Nc1cc(CC[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)cc[nH+]1	ZINC000257234064	244224206	/nfs/dbraw/zinc/22/42/06/244224206.db2.gz	GRXOKROWBINHHB-KRWDZBQOSA-N	2	0	336.439	2.979	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404756	217220228	/nfs/dbraw/zinc/22/02/28/217220228.db2.gz	WBAQSTYLPZVOCK-OALUTQOASA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404796	217221021	/nfs/dbraw/zinc/22/10/21/217221021.db2.gz	JBDPPEFWHWNSQE-ICSRJNTNSA-N	2	0	343.515	2.873	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415899	217223992	/nfs/dbraw/zinc/22/39/92/217223992.db2.gz	RPBSGBNOOGDURV-OALUTQOASA-N	2	0	331.504	2.871	40	0		EFABRP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1	ZINC000093132908	218195920	/nfs/dbraw/zinc/19/59/20/218195920.db2.gz	XQKXLOPZIRQYAJ-LJQANCHMSA-N	2	0	343.515	2.612	40	0		EFABRP
CC1=C(Br)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1	ZINC000330031858	258003122	/nfs/dbraw/zinc/00/31/22/258003122.db2.gz	FCJBEWFRSAMYCY-UHFFFAOYSA-N	2	0	344.341	2.777	40	0		EFABRP
CC(C)COC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1	ZINC000089158248	264658786	/nfs/dbraw/zinc/65/87/86/264658786.db2.gz	SELBSOSONQUJNP-DLBZAZTESA-N	2	0	325.497	2.706	40	0		EFABRP
C[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2	ZINC000096208163	277022934	/nfs/dbraw/zinc/02/29/34/277022934.db2.gz	MRVARIQBDDCYCG-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2	ZINC000096048019	473268079	/nfs/dbraw/zinc/26/80/79/473268079.db2.gz	PAXWXNVFJQXJLX-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096048068	473268166	/nfs/dbraw/zinc/26/81/66/473268166.db2.gz	OJFPGAYCGYMRCY-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1	ZINC000096055179	473279541	/nfs/dbraw/zinc/27/95/41/473279541.db2.gz	UCHVROFCVYEEKD-UYAOXDASSA-N	2	0	341.455	2.706	40	0		EFABRP
C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccoc3)C[C@@H]21	ZINC000096056294	473280402	/nfs/dbraw/zinc/28/04/02/473280402.db2.gz	XYDKBINDCMYMLF-YTQUADARSA-N	2	0	330.428	2.842	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2	ZINC000096073276	473289870	/nfs/dbraw/zinc/28/98/70/473289870.db2.gz	JOKLBSPFKZXZCK-GOSISDBHSA-N	2	0	348.487	2.762	40	0		EFABRP
C[NH+](C)CC(=O)N1CCC2(C[C@@H]([NH+]3CCCC3)c3ccccc32)CC1	ZINC000096079210	473291764	/nfs/dbraw/zinc/29/17/64/473291764.db2.gz	FNYHIFWRFVKDDX-LJQANCHMSA-N	2	0	341.499	2.649	40	0		EFABRP
C[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCN(CC[NH+]1CCCC1)C2=O	ZINC000096201710	473339260	/nfs/dbraw/zinc/33/92/60/473339260.db2.gz	FGDWLPOMXUMOAY-VQIMIIECSA-N	2	0	347.528	2.514	40	0		EFABRP
CNc1cc(C[N@H+](C)CCc2ccccc2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019760064	471984773	/nfs/dbraw/zinc/98/47/73/471984773.db2.gz	GTUUXFNWSFPCCR-KRWDZBQOSA-N	2	0	325.460	2.617	40	0		EFABRP
CNc1cc(C[N@H+](C)CCc2ccccc2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019760068	471985027	/nfs/dbraw/zinc/98/50/27/471985027.db2.gz	GTUUXFNWSFPCCR-QGZVFWFLSA-N	2	0	325.460	2.617	40	0		EFABRP
CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1	ZINC000089158247	472391602	/nfs/dbraw/zinc/39/16/02/472391602.db2.gz	SELBSOSONQUJNP-IAGOWNOFSA-N	2	0	325.497	2.706	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415943	472861370	/nfs/dbraw/zinc/86/13/70/472861370.db2.gz	ORDBMOFQEYCKSQ-FQEVSTJZSA-N	2	0	343.515	2.873	40	0		EFABRP
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](Cc2ccccc2)CC1	ZINC000195529647	474088926	/nfs/dbraw/zinc/08/89/26/474088926.db2.gz	IBUIPMUHJOCAJP-UXHICEINSA-N	2	0	341.499	2.642	40	0		EFABRP
COC[C@@H]1C[N@H+](CC(C)C)CC12CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000248032241	474247978	/nfs/dbraw/zinc/24/79/78/474247978.db2.gz	LNSFBUVWMYTKHY-SFHVURJKSA-N	2	0	348.535	2.545	40	0		EFABRP
Cc1cccc(C[N@@H+]2C[C@@H](COCC3CC3)C3(C2)CC[NH+](C)CC3)n1	ZINC000248097479	474259149	/nfs/dbraw/zinc/25/91/49/474259149.db2.gz	DEZBCZSSYVESPK-IBGZPJMESA-N	2	0	343.515	2.960	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C[C@H](C)O1	ZINC000253604042	474771354	/nfs/dbraw/zinc/77/13/54/474771354.db2.gz	RLUNQUGUQYERAZ-ZNMIVQPWSA-N	2	0	328.460	2.639	40	0		EFABRP
C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1	ZINC000585272913	479304767	/nfs/dbraw/zinc/30/47/67/479304767.db2.gz	NITZVHDXTYDNGZ-FQEVSTJZSA-N	2	0	328.456	2.792	40	0		EFABRP
C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@H](C)O1	ZINC000072394694	216193153	/nfs/dbraw/zinc/19/31/53/216193153.db2.gz	RKNINMNFKNFZLA-KBPBESRZSA-N	2	0	328.460	2.639	40	0		EFABRP
Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1F	ZINC000078552419	217073393	/nfs/dbraw/zinc/07/33/93/217073393.db2.gz	WYWDVXNGUMZFOZ-UHFFFAOYSA-N	2	0	328.435	2.571	40	0		EFABRP
C[C@@H]([NH2+]Cc1cccnc1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553313	217074627	/nfs/dbraw/zinc/07/46/27/217074627.db2.gz	GBJNFLHAINLNES-OAHLLOKOSA-N	2	0	328.435	2.823	40	0		EFABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1	ZINC000079415851	217223949	/nfs/dbraw/zinc/22/39/49/217223949.db2.gz	MAPIXEMDPPZCGS-MOPGFXCFSA-N	2	0	331.504	2.730	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC1CC1)CC2	ZINC000096240341	285254426	/nfs/dbraw/zinc/25/44/26/285254426.db2.gz	XYCRGGPYCUCEGF-INIZCTEOSA-N	2	0	335.517	2.856	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C	ZINC000079404692	280271612	/nfs/dbraw/zinc/27/16/12/280271612.db2.gz	DVJZTSQKUMMMOB-OALUTQOASA-N	2	0	331.504	2.871	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C(C)C	ZINC000079415886	280272331	/nfs/dbraw/zinc/27/23/31/280272331.db2.gz	YDKIQWRKZAIAAZ-MOPGFXCFSA-N	2	0	331.504	2.871	40	0		EFABRP
C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096048043	473269512	/nfs/dbraw/zinc/26/95/12/473269512.db2.gz	HLVGCWYRHODOAV-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
Cn1cc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccccn4)C3)CC2)cn1	ZINC000096159259	473320132	/nfs/dbraw/zinc/32/01/32/473320132.db2.gz	RYUYDVDTUPNZLR-UHFFFAOYSA-N	2	0	339.487	2.692	40	0		EFABRP
Cn1cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC000096158826	473317968	/nfs/dbraw/zinc/31/79/68/473317968.db2.gz	FKDMOQUEOURREY-UHFFFAOYSA-N	2	0	345.512	2.954	40	0		EFABRP
C[NH+](C)CCOC[C@H]1CCC[C@]12C[N@H+](Cc1ccccc1)CCO2	ZINC000096159885	473320518	/nfs/dbraw/zinc/32/05/18/473320518.db2.gz	SPBZPCYRMAOLCL-UXHICEINSA-N	2	0	332.488	2.636	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC[NH+]2CCCC2)s1	ZINC000096186293	473326120	/nfs/dbraw/zinc/32/61/20/473326120.db2.gz	FWNWONDSPIUMHG-ROUUACIJSA-N	2	0	347.528	2.718	40	0		EFABRP
C[N@@H+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[NH+](Cc3ccoc3)CC[C@@H]12	ZINC000096185364	473327347	/nfs/dbraw/zinc/32/73/47/473327347.db2.gz	IQMPOSXLOQZEDD-AQNXPRMDSA-N	2	0	341.455	2.644	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1cccnc1OC)CC2	ZINC000096206092	473340038	/nfs/dbraw/zinc/34/00/38/473340038.db2.gz	ATXJDOGTESTMPX-GOSISDBHSA-N	2	0	347.503	2.802	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1ccccc1)CC2	ZINC000096206164	473340785	/nfs/dbraw/zinc/34/07/85/473340785.db2.gz	QMORYZOZXRHQJD-LJQANCHMSA-N	2	0	332.488	2.636	40	0		EFABRP
COc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2	ZINC000096208507	473344183	/nfs/dbraw/zinc/34/41/83/473344183.db2.gz	ITOZRXVNKFPQBP-AZUAARDMSA-N	2	0	330.472	2.915	40	0		EFABRP
C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3)C2)C1	ZINC000096209878	473346469	/nfs/dbraw/zinc/34/64/69/473346469.db2.gz	RJOYMGXZJGUXAV-NHCUHLMSSA-N	2	0	328.500	2.909	40	0		EFABRP
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1	ZINC000096218954	473352276	/nfs/dbraw/zinc/35/22/76/473352276.db2.gz	RRBDUIABYFMICP-PKOBYXMFSA-N	2	0	349.544	2.509	40	0		EFABRP
C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](CCOc3ccc(Cl)cc3)C2)C1	ZINC000096220248	473354587	/nfs/dbraw/zinc/35/45/87/473354587.db2.gz	VGPREDIGAOMVRC-SJLPKXTDSA-N	2	0	338.879	2.904	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)cc1	ZINC000096249666	473363961	/nfs/dbraw/zinc/36/39/61/473363961.db2.gz	ICGKXPMQEIOSNB-TZIWHRDSSA-N	2	0	344.499	2.697	40	0		EFABRP
CC(C)COC(=O)N1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1	ZINC000089158246	472391736	/nfs/dbraw/zinc/39/17/36/472391736.db2.gz	SELBSOSONQUJNP-IRXDYDNUSA-N	2	0	325.497	2.706	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079391082	472855978	/nfs/dbraw/zinc/85/59/78/472855978.db2.gz	XVWSNXCGZHYLJG-MOPGFXCFSA-N	2	0	329.488	2.625	40	0		EFABRP
COC1CCC([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1	ZINC000195560450	474096249	/nfs/dbraw/zinc/09/62/49/474096249.db2.gz	QQLDRFKPOZDKAC-SOAGJPPSSA-N	2	0	331.504	2.522	40	0		EFABRP
[NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1	ZINC000195560492	474096519	/nfs/dbraw/zinc/09/65/19/474096519.db2.gz	FCMVQVZPQRVGQH-WOJBJXKFSA-N	2	0	343.515	2.671	40	0		EFABRP
COCC[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCC1)CC2	ZINC000247896372	474222739	/nfs/dbraw/zinc/22/27/39/474222739.db2.gz	UXUGYURLLIEADA-SFHVURJKSA-N	2	0	336.520	2.626	40	0		EFABRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C	ZINC000252539129	474695120	/nfs/dbraw/zinc/69/51/20/474695120.db2.gz	NSYMQKMCAVPJLY-QQXKLLMISA-N	2	0	338.536	2.917	40	0		EFABRP
CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@H+](C)Cc1ccccc1	ZINC000225798265	240232036	/nfs/dbraw/zinc/23/20/36/240232036.db2.gz	FZTNILPKQWBBHC-IBGZPJMESA-N	2	0	331.504	2.886	40	0		EFABRP
CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](CC3CC3)CC2)cc(C)[nH+]1	ZINC000072370960	203209477	/nfs/dbraw/zinc/20/94/77/203209477.db2.gz	UJQIVUOBPHQQHQ-FQEVSTJZSA-N	2	0	342.487	2.605	40	0		EFABRP
C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@@H](C)O1	ZINC000072394695	203213417	/nfs/dbraw/zinc/21/34/17/203213417.db2.gz	RKNINMNFKNFZLA-ZIAGYGMSSA-N	2	0	328.460	2.639	40	0		EFABRP
COc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096047951	473269107	/nfs/dbraw/zinc/26/91/07/473269107.db2.gz	VVKWLHRIUFAJLA-GOSISDBHSA-N	2	0	330.472	2.915	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048072	473269567	/nfs/dbraw/zinc/26/95/67/473269567.db2.gz	WKBBYZADYUYYTF-LJQANCHMSA-N	2	0	341.455	2.930	40	0		EFABRP
CC(=O)N1[C@@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21	ZINC000096064379	473287709	/nfs/dbraw/zinc/28/77/09/473287709.db2.gz	WFGGOUAJDCEZMY-LMMKCTJWSA-N	2	0	347.528	2.655	40	0		EFABRP
c1cncc(C[N@H+]2CCCC3(CCN(CC[NH+]4CCCC4)CC3)C2)c1	ZINC000096071859	473289919	/nfs/dbraw/zinc/28/99/19/473289919.db2.gz	RDMYEQWNWNXKGP-UHFFFAOYSA-N	2	0	342.531	2.855	40	0		EFABRP
Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1	ZINC000096158889	473318008	/nfs/dbraw/zinc/31/80/08/473318008.db2.gz	DDVTZZACVKEGJY-HXUWFJFHSA-N	2	0	344.499	2.698	40	0		EFABRP
C[N@@H+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[NH+](Cc3ccco3)CC[C@@H]12	ZINC000096185363	473325723	/nfs/dbraw/zinc/32/57/23/473325723.db2.gz	YEBZJXDBMHHEAX-RLLQIKCJSA-N	2	0	341.455	2.644	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)CO1	ZINC000096224941	473356693	/nfs/dbraw/zinc/35/66/93/473356693.db2.gz	LTJKTOHEKOHIHM-GOSISDBHSA-N	2	0	334.508	2.522	40	0		EFABRP
C[NH+](C)CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccs1)C2	ZINC000096229855	473358451	/nfs/dbraw/zinc/35/84/51/473358451.db2.gz	YKRHNFJTSOWWDU-GOSISDBHSA-N	2	0	335.517	2.657	40	0		EFABRP
Cc1ccc(C[NH+]2CCC3(CCC(=O)N3CC[NH+](C)C)CC2)s1	ZINC000096228042	473359136	/nfs/dbraw/zinc/35/91/36/473359136.db2.gz	RIUDJJCHTPUXBE-UHFFFAOYSA-N	2	0	335.517	2.575	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](CC1CC1)CC2	ZINC000096240367	473362319	/nfs/dbraw/zinc/36/23/19/473362319.db2.gz	OTYDVEJMMPOVOX-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2cccnc2)n1	ZINC000120969465	472777137	/nfs/dbraw/zinc/77/71/37/472777137.db2.gz	YVKJPRLBLVDUHF-UHFFFAOYSA-N	2	0	327.476	2.881	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391092	472856063	/nfs/dbraw/zinc/85/60/63/472856063.db2.gz	XUFXQIWHPUPJLV-MOPGFXCFSA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079391084	472856621	/nfs/dbraw/zinc/85/66/21/472856621.db2.gz	XVWSNXCGZHYLJG-OALUTQOASA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079404779	472860249	/nfs/dbraw/zinc/86/02/49/472860249.db2.gz	LNFBXBMBWVIMII-IBGZPJMESA-N	2	0	329.488	2.625	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079415898	472861258	/nfs/dbraw/zinc/86/12/58/472861258.db2.gz	JTIAEFDCMSYPFH-MOPGFXCFSA-N	2	0	331.504	2.729	40	0		EFABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](CCC(F)(F)F)CC2)cn1	ZINC000257300256	474940478	/nfs/dbraw/zinc/94/04/78/474940478.db2.gz	RTQMDESREKNWES-UHFFFAOYSA-N	2	0	330.398	2.745	40	0		EFABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000257319081	474951178	/nfs/dbraw/zinc/95/11/78/474951178.db2.gz	VQPTXBUFOPJWRI-IHPCNDPISA-N	2	0	343.515	2.780	40	0		EFABRP
CN1CCC[C@@H]1c1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n[nH]1	ZINC000585141208	479299468	/nfs/dbraw/zinc/29/94/68/479299468.db2.gz	RATMKWDSPJBQQS-GOSISDBHSA-N	2	0	341.459	2.533	40	0		EFABRP
O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1	ZINC000585289676	479310747	/nfs/dbraw/zinc/31/07/47/479310747.db2.gz	UVNGAUKEIDDKMK-XUVXKRRUSA-N	2	0	332.488	2.813	40	0		EFABRP
COc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000069171318	215367362	/nfs/dbraw/zinc/36/73/62/215367362.db2.gz	FEKOQCMLUZZJEJ-OAQYLSRUSA-N	2	0	339.483	2.774	40	0		EFABRP
C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1	ZINC000072394710	216192069	/nfs/dbraw/zinc/19/20/69/216192069.db2.gz	RLUNQUGUQYERAZ-RBSFLKMASA-N	2	0	328.460	2.639	40	0		EFABRP
CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3ncccc3c2)CC1	ZINC000078552977	217073365	/nfs/dbraw/zinc/07/33/65/217073365.db2.gz	FLPAMEMURKRSNZ-UHFFFAOYSA-N	2	0	326.488	2.598	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079404775	217221067	/nfs/dbraw/zinc/22/10/67/217221067.db2.gz	VDSYMKVGFGGHHM-MOPGFXCFSA-N	2	0	329.488	2.625	40	0		EFABRP
CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000079415864	217223923	/nfs/dbraw/zinc/22/39/23/217223923.db2.gz	GAHXESDVRZYYBY-ACBHZAAOSA-N	2	0	331.504	2.919	40	0		EFABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C	ZINC000079415844	217223442	/nfs/dbraw/zinc/22/34/42/217223442.db2.gz	PCRUDJRGQDKPHN-MOPGFXCFSA-N	2	0	331.504	2.873	40	0		EFABRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1	ZINC000095421704	218364351	/nfs/dbraw/zinc/36/43/51/218364351.db2.gz	QSGDWRDFRTUSDM-HXUWFJFHSA-N	2	0	337.467	2.755	40	0		EFABRP
CC1CC[NH+](CCN2CC[NH+](CCc3ccc(F)cc3)CC2)CC1	ZINC000095426446	218368540	/nfs/dbraw/zinc/36/85/40/218368540.db2.gz	OAFPNJDTGAXARZ-UHFFFAOYSA-N	2	0	333.495	2.718	40	0		EFABRP
O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1	ZINC000095449973	218394062	/nfs/dbraw/zinc/39/40/62/218394062.db2.gz	PKBWHFFDGCXKDD-SFHVURJKSA-N	2	0	334.423	2.729	40	0		EFABRP
CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(F)cc(F)c2)CC1	ZINC000330032890	258002557	/nfs/dbraw/zinc/00/25/57/258002557.db2.gz	TYXAQYGIIQSSTI-UHFFFAOYSA-N	2	0	325.447	2.813	40	0		EFABRP
CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079404664	276136252	/nfs/dbraw/zinc/13/62/52/276136252.db2.gz	QISDJJMZIQYXSQ-OALUTQOASA-N	2	0	331.504	2.873	40	0		EFABRP
C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048047	473268846	/nfs/dbraw/zinc/26/88/46/473268846.db2.gz	FWYHMRXLVKEIGG-IBGZPJMESA-N	2	0	341.455	2.930	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096048069	473269782	/nfs/dbraw/zinc/26/97/82/473269782.db2.gz	OJFPGAYCGYMRCY-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
C[NH+]1CCN(c2cc([C@@H]3c4ccccc4CCC[N@H+]3C)ccn2)CC1	ZINC000096087167	473292523	/nfs/dbraw/zinc/29/25/23/473292523.db2.gz	QHCAXUGFOAAYCE-OAQYLSRUSA-N	2	0	336.483	2.801	40	0		EFABRP
c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)nc1	ZINC000096158382	473318194	/nfs/dbraw/zinc/31/81/94/473318194.db2.gz	WGCVGIOUXHNWKN-SFHVURJKSA-N	2	0	329.488	2.796	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CC[NH+](CC1CC1)CC2	ZINC000096206931	473342932	/nfs/dbraw/zinc/34/29/32/473342932.db2.gz	QRRHRKMUIMODCE-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
C[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccccn1)CC2	ZINC000096207052	473343535	/nfs/dbraw/zinc/34/35/35/473343535.db2.gz	JVLICVLIXATXOP-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
C[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccncc1)CC2	ZINC000096207789	473343658	/nfs/dbraw/zinc/34/36/58/473343658.db2.gz	CBKPYFIZPWXHRB-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000057128043	472383983	/nfs/dbraw/zinc/38/39/83/472383983.db2.gz	QBRBYPICZNXSPB-UHFFFAOYSA-N	2	0	331.504	2.603	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415938	472861287	/nfs/dbraw/zinc/86/12/87/472861287.db2.gz	WTOFGSGJPOHSHG-QUCCMNQESA-N	2	0	343.515	2.873	40	0		EFABRP
COc1ncccc1C[N@@H+]1CCC[C@]2(C[C@@H](C[NH+](C)C3CC3)CO2)C1	ZINC000107790580	472982645	/nfs/dbraw/zinc/98/26/45/472982645.db2.gz	IOMFUNZZLXZSCQ-JXFKEZNVSA-N	2	0	345.487	2.556	40	0		EFABRP
C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1	ZINC000113972541	473430107	/nfs/dbraw/zinc/43/01/07/473430107.db2.gz	PVAYKXBYFZJWEH-INIZCTEOSA-N	2	0	349.906	2.762	40	0		EFABRP
c1snnc1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195560530	474095845	/nfs/dbraw/zinc/09/58/45/474095845.db2.gz	MOODXJKMMJJRAQ-RYQLBKOJSA-N	2	0	328.485	2.928	40	0		EFABRP
CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000195565171	474097567	/nfs/dbraw/zinc/09/75/67/474097567.db2.gz	FFALTFDBBMBPCY-SMXDXGFJSA-N	2	0	343.515	2.934	40	0		EFABRP
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000225447078	474213938	/nfs/dbraw/zinc/21/39/38/474213938.db2.gz	HFHWWCRPJVPLCB-HXUWFJFHSA-N	2	0	337.467	2.783	40	0		EFABRP
COC[C@H]1C[N@H+](CC(C)C)CC12CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000248032238	474248065	/nfs/dbraw/zinc/24/80/65/474248065.db2.gz	LNSFBUVWMYTKHY-GOSISDBHSA-N	2	0	348.535	2.545	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C	ZINC000242538747	474559931	/nfs/dbraw/zinc/55/99/31/474559931.db2.gz	JEBVIFPSNAJBGS-QRVBRYPASA-N	2	0	331.504	2.919	40	0		EFABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000585103930	479284296	/nfs/dbraw/zinc/28/42/96/479284296.db2.gz	UCYHUELTSFPQQH-LJQANCHMSA-N	2	0	329.488	2.652	40	0		EFABRP
C[N@H+](CCCN1CC[NH+](C)CC1)CC1(c2ccc(Cl)cc2)CC1	ZINC000022593327	212309045	/nfs/dbraw/zinc/30/90/45/212309045.db2.gz	ZXEZZMNRDVIYQE-UHFFFAOYSA-N	2	0	335.923	2.941	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404791	217220750	/nfs/dbraw/zinc/22/07/50/217220750.db2.gz	JBDPPEFWHWNSQE-QUCCMNQESA-N	2	0	343.515	2.873	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079404719	217221179	/nfs/dbraw/zinc/22/11/79/217221179.db2.gz	LOAOWXRDMYABPV-IBGZPJMESA-N	2	0	331.504	2.871	40	0		EFABRP
C[N@@H+]1CCC[C@@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21	ZINC000092043356	218108898	/nfs/dbraw/zinc/10/88/98/218108898.db2.gz	AZXCNRWFSJJBRE-UXHICEINSA-N	2	0	349.563	2.685	40	0		EFABRP
Cc1cccc(C)c1OC1CC[NH+](CCCN2CC[NH+](C)CC2)CC1	ZINC000097235653	219001976	/nfs/dbraw/zinc/00/19/76/219001976.db2.gz	SMSNNJLHIMOBEP-UHFFFAOYSA-N	2	0	345.531	2.784	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2	ZINC000096048018	473268614	/nfs/dbraw/zinc/26/86/14/473268614.db2.gz	PAXWXNVFJQXJLX-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000096048017	473268965	/nfs/dbraw/zinc/26/89/65/473268965.db2.gz	VCKGMFOMRGUKBV-SFHVURJKSA-N	2	0	341.455	2.930	40	0		EFABRP
C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048073	473269269	/nfs/dbraw/zinc/26/92/69/473269269.db2.gz	WKBBYZADYUYYTF-IBGZPJMESA-N	2	0	341.455	2.930	40	0		EFABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000096048016	473270118	/nfs/dbraw/zinc/27/01/18/473270118.db2.gz	VCKGMFOMRGUKBV-GOSISDBHSA-N	2	0	341.455	2.930	40	0		EFABRP
c1cncc(C[N@H+]2CCCC23CC[NH+](CC2CCOCC2)CC3)c1	ZINC000096049322	473274015	/nfs/dbraw/zinc/27/40/15/473274015.db2.gz	HRBIBIPCFHQRHU-UHFFFAOYSA-N	2	0	329.488	2.939	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3cccs3)C2)O1	ZINC000096052304	473274998	/nfs/dbraw/zinc/27/49/98/473274998.db2.gz	QPYBOZQNUNPMEE-SJLPKXTDSA-N	2	0	338.517	2.838	40	0		EFABRP
C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccnc3)C[C@@H]21	ZINC000096056300	473281006	/nfs/dbraw/zinc/28/10/06/473281006.db2.gz	FPRGQANBWFLTRS-YSIASYRMSA-N	2	0	341.455	2.644	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1ccccc1)CC2	ZINC000096206165	473340207	/nfs/dbraw/zinc/34/02/07/473340207.db2.gz	QMORYZOZXRHQJD-IBGZPJMESA-N	2	0	332.488	2.636	40	0		EFABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](CC1CC1)CC2	ZINC000096206057	473340352	/nfs/dbraw/zinc/34/03/52/473340352.db2.gz	IIYHWPWVPXMUTI-IBGZPJMESA-N	2	0	329.488	2.795	40	0		EFABRP
Cc1cc(OC[C@H]2CO[C@@H]3C[N@@H+](C4CCSCC4)C[C@H]23)cc(C)[nH+]1	ZINC000096215895	473346366	/nfs/dbraw/zinc/34/63/66/473346366.db2.gz	GKTSLBMOIMWULI-KFKAGJAMSA-N	2	0	348.512	2.920	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)CO1	ZINC000096224940	473355683	/nfs/dbraw/zinc/35/56/83/473355683.db2.gz	LTJKTOHEKOHIHM-SFHVURJKSA-N	2	0	334.508	2.522	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391089	472856843	/nfs/dbraw/zinc/85/68/43/472856843.db2.gz	XUFXQIWHPUPJLV-OALUTQOASA-N	2	0	329.488	2.625	40	0		EFABRP
Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)o1	ZINC000107739556	472979744	/nfs/dbraw/zinc/97/97/44/472979744.db2.gz	QTWXDAAEOHVMCC-OALUTQOASA-N	2	0	336.476	2.678	40	0		EFABRP
CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2	ZINC000107738645	472979863	/nfs/dbraw/zinc/97/98/63/472979863.db2.gz	JIPAKPKOORNZOM-ZWKOTPCHSA-N	2	0	338.517	2.696	40	0		EFABRP
CCOc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000246847675	473982198	/nfs/dbraw/zinc/98/21/98/473982198.db2.gz	CLFIDMRHBRIWGB-VQIMIIECSA-N	2	0	340.471	2.876	40	0		EFABRP
Cc1noc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000195557229	474093950	/nfs/dbraw/zinc/09/39/50/474093950.db2.gz	WYZVLHWUROFKSS-FGTMMUONSA-N	2	0	326.444	2.768	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)o1	ZINC000248115845	474260547	/nfs/dbraw/zinc/26/05/47/474260547.db2.gz	SGCDWWBDNBSCNK-QUCCMNQESA-N	2	0	341.455	2.706	40	0		EFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)o1	ZINC000248115843	474260648	/nfs/dbraw/zinc/26/06/48/474260648.db2.gz	SGCDWWBDNBSCNK-ICSRJNTNSA-N	2	0	341.455	2.706	40	0		EFABRP
O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1C[N@H+](CC1CCCCC1)CC2	ZINC000257246799	474926409	/nfs/dbraw/zinc/92/64/09/474926409.db2.gz	IVWJDOYNHOEVKX-KRWDZBQOSA-N	2	0	330.476	2.935	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1	ZINC000100177579	219093647	/nfs/dbraw/zinc/09/36/47/219093647.db2.gz	GAHXESDVRZYYBY-OTWHNJEPSA-N	2	0	331.504	2.919	40	0		EFABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1O2	ZINC000019592021	212048224	/nfs/dbraw/zinc/04/82/24/212048224.db2.gz	OGKGKHXOUZGMIZ-UHFFFAOYSA-N	2	0	340.471	2.716	40	0		EFABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079415934	217223017	/nfs/dbraw/zinc/22/30/17/217223017.db2.gz	WTOFGSGJPOHSHG-ICSRJNTNSA-N	2	0	343.515	2.873	40	0		EFABRP
CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1cccs1)C2	ZINC000096051978	473275431	/nfs/dbraw/zinc/27/54/31/473275431.db2.gz	WQGHIKMQBOWTSA-AEFFLSMTSA-N	2	0	338.517	2.696	40	0		EFABRP
COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@@H](C[NH+](C)C3CC3)CO2)C1	ZINC000096075657	473290839	/nfs/dbraw/zinc/29/08/39/473290839.db2.gz	IOMFUNZZLXZSCQ-OXJNMPFZSA-N	2	0	345.487	2.556	40	0		EFABRP
c1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cs1	ZINC000096196880	473332674	/nfs/dbraw/zinc/33/26/74/473332674.db2.gz	LXTYZQNTXMTHNB-UHFFFAOYSA-N	2	0	330.501	2.989	40	0		EFABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](CC1CC1)CC2	ZINC000096206058	473340700	/nfs/dbraw/zinc/34/07/00/473340700.db2.gz	IIYHWPWVPXMUTI-LJQANCHMSA-N	2	0	329.488	2.795	40	0		EFABRP
COCC[N@@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1ccsc1)CC2	ZINC000096207477	473342675	/nfs/dbraw/zinc/34/26/75/473342675.db2.gz	LPCLIWNUXNLAPW-QGZVFWFLSA-N	2	0	338.517	2.697	40	0		EFABRP
Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC[NH+](C)C)CC2)s1	ZINC000096217722	473348828	/nfs/dbraw/zinc/34/88/28/473348828.db2.gz	LOZJFBJOQQOODY-IBGZPJMESA-N	2	0	349.544	2.965	40	0		EFABRP
C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1	ZINC000072394708	472663263	/nfs/dbraw/zinc/66/32/63/472663263.db2.gz	RLUNQUGUQYERAZ-QLFBSQMISA-N	2	0	328.460	2.639	40	0		EFABRP
O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](Cc2ccccc2)CC1	ZINC000195529648	474088698	/nfs/dbraw/zinc/08/86/98/474088698.db2.gz	IBUIPMUHJOCAJP-PMACEKPBSA-N	2	0	341.499	2.642	40	0		EFABRP
Cc1nccn1-c1ccc([C@H](C)Nc2nc3c(cnn3C)c(N)n2)cc1	ZINC000225512983	474219515	/nfs/dbraw/zinc/21/95/15/474219515.db2.gz	BCVBUXVVASCCBW-NSHDSACASA-N	2	0	348.414	2.613	40	0		EFABRP
CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C	ZINC000242538748	474559341	/nfs/dbraw/zinc/55/93/41/474559341.db2.gz	JEBVIFPSNAJBGS-QYZOEREBSA-N	2	0	331.504	2.919	40	0		EFABRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C	ZINC000252539128	474695704	/nfs/dbraw/zinc/69/57/04/474695704.db2.gz	NSYMQKMCAVPJLY-NNIGNNQHSA-N	2	0	338.536	2.917	40	0		EFABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000585102905	479284546	/nfs/dbraw/zinc/28/45/46/479284546.db2.gz	HPYKEXCQSFWQTO-INIZCTEOSA-N	2	0	338.517	2.555	40	0		EFABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000585102906	479285196	/nfs/dbraw/zinc/28/51/96/479285196.db2.gz	HPYKEXCQSFWQTO-MRXNPFEDSA-N	2	0	338.517	2.555	40	0		EFABRP
C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O	ZINC000585290000	479311028	/nfs/dbraw/zinc/31/10/28/479311028.db2.gz	YWNDJVOKIKDFSY-XUVXKRRUSA-N	2	0	332.488	2.621	40	0		EFABRP
Cc1cccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c1	ZINC000019234940	524407836	/nfs/dbraw/zinc/40/78/36/524407836.db2.gz	XOQGMTJPZQUJCD-KRWDZBQOSA-N	2	0	335.455	2.688	40	0		EFABRP