smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H](CNC(N)=[NH2+])[NH+](C)C)cc1	ZINC000899264110	584188937	/nfs/dbraw/zinc/18/89/37/584188937.db2.gz	ZUNSLFOEYKJLKA-LBPRGKRZSA-N	2	1	249.362	0.838	20	10		BCCDMP
C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000841060149	587941879	/nfs/dbraw/zinc/94/18/79/587941879.db2.gz	QSKGTBXYHMLOKW-GFCCVEGCSA-N	2	1	249.358	0.960	20	10		BCCDMP
[NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2O)CCCO1	ZINC000313359594	711717719	/nfs/dbraw/zinc/71/77/19/711717719.db2.gz	RTVBBDSSZUHRBX-GFCCVEGCSA-N	2	1	236.315	0.942	20	10		BCCDMP
C[N@H+](CCOCC[NH3+])Cc1cccc(F)c1O	ZINC000863651515	589307504	/nfs/dbraw/zinc/30/75/04/589307504.db2.gz	KIBKFKTTWKTAGE-UHFFFAOYSA-N	2	1	242.294	0.938	20	10		BCCDMP
C[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1O	ZINC000863651515	589307506	/nfs/dbraw/zinc/30/75/06/589307506.db2.gz	KIBKFKTTWKTAGE-UHFFFAOYSA-N	2	1	242.294	0.938	20	10		BCCDMP
C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2O)C1	ZINC000702550853	712055129	/nfs/dbraw/zinc/05/51/29/712055129.db2.gz	NECFPEGCKCWQDV-ZDUSSCGKSA-N	2	1	236.315	0.548	20	10		BCCDMP
C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2O)C1	ZINC000702550853	712055130	/nfs/dbraw/zinc/05/51/30/712055130.db2.gz	NECFPEGCKCWQDV-ZDUSSCGKSA-N	2	1	236.315	0.548	20	10		BCCDMP
C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841082128	587945223	/nfs/dbraw/zinc/94/52/23/587945223.db2.gz	WGFOTMJUGVSBEV-HTQZYQBOSA-N	2	1	238.287	0.946	20	10		BCCDMP
C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C[NH3+]	ZINC000841093039	587946443	/nfs/dbraw/zinc/94/64/43/587946443.db2.gz	PTZCJNANZXZFGE-SNVBAGLBSA-N	2	1	244.722	0.797	20	10		BCCDMP
C[C@@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841063578	587941160	/nfs/dbraw/zinc/94/11/60/587941160.db2.gz	NTLMTFZCHGNHDR-ZETCQYMHSA-N	2	1	224.260	0.558	20	10		BCCDMP
C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2O)C1	ZINC000702550850	712055074	/nfs/dbraw/zinc/05/50/74/712055074.db2.gz	NECFPEGCKCWQDV-CYBMUJFWSA-N	2	1	236.315	0.548	20	10		BCCDMP
C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2O)C1	ZINC000702550850	712055075	/nfs/dbraw/zinc/05/50/75/712055075.db2.gz	NECFPEGCKCWQDV-CYBMUJFWSA-N	2	1	236.315	0.548	20	10		BCCDMP
[NH3+]CCN(CCO)Cc1cccc(F)c1[O-]	ZINC000841059179	587940321	/nfs/dbraw/zinc/94/03/21/587940321.db2.gz	MFVWYCQWFJEBEH-UHFFFAOYSA-N	2	1	228.267	0.284	20	10		BCCDMP
CC[C@@H]([NH3+])C[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841071189	587942898	/nfs/dbraw/zinc/94/28/98/587942898.db2.gz	ZYHDSSYCHVHGHD-SECBINFHSA-N	2	1	238.287	0.948	20	10		BCCDMP
C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1O	ZINC000071148816	643104247	/nfs/dbraw/zinc/10/42/47/643104247.db2.gz	LVQSWAXQJVFING-UHFFFAOYSA-N	2	1	249.358	0.729	20	10		BCCDMP
Cc1cc(O)c(C[N@@H+](C)C[C@H](O)C[NH3+])cc1C	ZINC000841091662	587946189	/nfs/dbraw/zinc/94/61/89/587946189.db2.gz	CNLBYRZHBGDJRU-GFCCVEGCSA-N	2	1	238.331	0.760	20	10		BCCDMP
CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1	ZINC000841094616	587946665	/nfs/dbraw/zinc/94/66/65/587946665.db2.gz	ZIAWHSJRBIRYMK-ZDUSSCGKSA-N	2	1	237.347	0.504	20	10		BCCDMP
CN(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1	ZINC000841094615	587946683	/nfs/dbraw/zinc/94/66/83/587946683.db2.gz	ZIAWHSJRBIRYMK-CYBMUJFWSA-N	2	1	237.347	0.504	20	10		BCCDMP
C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1O	ZINC000846217826	588260649	/nfs/dbraw/zinc/26/06/49/588260649.db2.gz	DGFVLTCBMMZBDL-CYBMUJFWSA-N	2	1	238.331	0.794	20	10		BCCDMP
[NH3+]C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1	ZINC000904451639	637416387	/nfs/dbraw/zinc/41/63/87/637416387.db2.gz	XQKPEYJMOMNCIU-UHFFFAOYSA-N	2	1	236.271	0.702	20	10		BCCDMP
C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000841063849	587941350	/nfs/dbraw/zinc/94/13/50/587941350.db2.gz	QSKGTBXYHMLOKW-LBPRGKRZSA-N	2	1	249.358	0.960	20	10		BCCDMP
C[C@H](C[NH3+])[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841059950	587942079	/nfs/dbraw/zinc/94/20/79/587942079.db2.gz	NTLMTFZCHGNHDR-SSDOTTSWSA-N	2	1	224.260	0.558	20	10		BCCDMP
COc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1	ZINC000841079048	587944546	/nfs/dbraw/zinc/94/45/46/587944546.db2.gz	WIEWSBXNFFDDRC-PJXYFTJBSA-N	2	1	234.299	0.708	20	10		BCCDMP
C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841082132	587944897	/nfs/dbraw/zinc/94/48/97/587944897.db2.gz	WGFOTMJUGVSBEV-SFYZADRCSA-N	2	1	238.287	0.946	20	10		BCCDMP
C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C[NH3+]	ZINC000841093034	587946260	/nfs/dbraw/zinc/94/62/60/587946260.db2.gz	PTZCJNANZXZFGE-JTQLQIEISA-N	2	1	244.722	0.797	20	10		BCCDMP
[NH3+]CCCOCC[NH2+]Cc1cccc(F)c1O	ZINC000863485168	589293148	/nfs/dbraw/zinc/29/31/48/589293148.db2.gz	VSLNQKDFRUGISB-UHFFFAOYSA-N	2	1	242.294	0.986	20	10		BCCDMP
Oc1ccc(F)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC000841079111	587945001	/nfs/dbraw/zinc/94/50/01/587945001.db2.gz	YNSCZMNZRRGGON-IAZYJMLFSA-N	2	1	222.263	0.839	20	10		BCCDMP
[NH3+]C[C@H]1C[N@@H+](Cc2ccccc2O)CCCO1	ZINC000313359596	711717570	/nfs/dbraw/zinc/71/75/70/711717570.db2.gz	RTVBBDSSZUHRBX-LBPRGKRZSA-N	2	1	236.315	0.942	20	10		BCCDMP
CN(C)c1ccc([C@@H](CNC(N)=[NH2+])[NH+](C)C)cc1	ZINC000899264109	584188963	/nfs/dbraw/zinc/18/89/63/584188963.db2.gz	ZUNSLFOEYKJLKA-GFCCVEGCSA-N	2	1	249.362	0.838	20	10		BCCDMP
C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](C)[NH3+]	ZINC000841082130	587944635	/nfs/dbraw/zinc/94/46/35/587944635.db2.gz	WGFOTMJUGVSBEV-JGVFFNPUSA-N	2	1	238.287	0.946	20	10		BCCDMP
Oc1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)OCO2	ZINC000841077217	587945179	/nfs/dbraw/zinc/94/51/79/587945179.db2.gz	DXASJWKVRNBXGH-WOFXILAISA-N	2	1	248.282	0.428	20	10		BCCDMP
C[N@@H+](Cc1ccccc1O)[C@H]1C[C@H]([NH3+])C[C@@H]1O	ZINC000923305352	644339565	/nfs/dbraw/zinc/33/95/65/644339565.db2.gz	AAJKGYZOQOMHEE-GVXVVHGQSA-N	2	1	236.315	0.675	20	10		BCCDMP
[NH3+]CCN(CCO)Cc1cccc(Cl)c1O	ZINC000841059500	587940746	/nfs/dbraw/zinc/94/07/46/587940746.db2.gz	SUQZCUVGDKQRDX-UHFFFAOYSA-N	2	1	244.722	0.799	20	10		BCCDMP
COc1ccc(O)c(C[NH2+][C@H](C)C[NH3+])c1	ZINC000841060317	587941729	/nfs/dbraw/zinc/94/17/29/587941729.db2.gz	USIUTYDEWWGNOO-MRVPVSSYSA-N	2	1	210.277	0.838	20	10		BCCDMP
CC[C@H]([NH3+])C[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841071191	587942586	/nfs/dbraw/zinc/94/25/86/587942586.db2.gz	ZYHDSSYCHVHGHD-VIFPVBQESA-N	2	1	238.287	0.948	20	10		BCCDMP
Cc1cc(O)c(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C	ZINC000841091663	587946457	/nfs/dbraw/zinc/94/64/57/587946457.db2.gz	CNLBYRZHBGDJRU-LBPRGKRZSA-N	2	1	238.331	0.760	20	10		BCCDMP
c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc2c1OCC2	ZINC000841077951	587945073	/nfs/dbraw/zinc/94/50/73/587945073.db2.gz	PWZMOTDLRSVPEO-IMRBUKKESA-N	2	1	230.311	0.929	20	10		BCCDMP
C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccccc1O	ZINC000846217827	588260727	/nfs/dbraw/zinc/26/07/27/588260727.db2.gz	DGFVLTCBMMZBDL-ZDUSSCGKSA-N	2	1	238.331	0.794	20	10		BCCDMP
COc1ccc(O)c(C[NH2+][C@@H](C)C[NH3+])c1	ZINC000841064173	587942150	/nfs/dbraw/zinc/94/21/50/587942150.db2.gz	USIUTYDEWWGNOO-QMMMGPOBSA-N	2	1	210.277	0.838	20	10		BCCDMP
C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2	ZINC000841082133	587945226	/nfs/dbraw/zinc/94/52/26/587945226.db2.gz	WGFOTMJUGVSBEV-YUMQZZPRSA-N	2	1	238.287	0.946	20	10		BCCDMP
C[N@@H+](CCC[NH3+])Cc1cc2c(cc1O)OCO2	ZINC000843050628	588076944	/nfs/dbraw/zinc/07/69/44/588076944.db2.gz	MTHAONXYUVCZSO-UHFFFAOYSA-N	2	1	238.287	0.902	20	10		BCCDMP
COc1cccc(O)c1C[NH2+]CC1([NH3+])CC1	ZINC000904450818	637417449	/nfs/dbraw/zinc/41/74/49/637417449.db2.gz	SZYPVRVEGICMNN-UHFFFAOYSA-N	2	1	222.288	0.982	20	10		BCCDMP