smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@H]([NH3+])c1cccc(Cl)c1O	ZINC000575440153	387127930	/nfs/dbraw/zinc/12/79/30/387127930.db2.gz	KWSHCVFROUPUAL-JTQLQIEISA-N	2	2	228.723	2.174	10	10		BECELP
[NH3+]CCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1O	ZINC000575438336	387130105	/nfs/dbraw/zinc/13/01/05/387130105.db2.gz	ITNSTIJAXFUDAR-VIFPVBQESA-N	2	2	249.141	2.438	10	10		BECELP
C[NH+](C)C(C)(C)CNc1ccc([NH3+])cc1	ZINC000043411201	172398503	/nfs/dbraw/zinc/39/85/03/172398503.db2.gz	UEDKZOJXZIMAAO-UHFFFAOYSA-N	2	2	207.321	2.021	10	10		BECELP
COc1ccc([N@H+](CCC[NH3+])CC2CC2)cc1	ZINC000036765317	175137337	/nfs/dbraw/zinc/13/73/37/175137337.db2.gz	GCHHWCAYFLRVNC-UHFFFAOYSA-N	2	2	234.343	2.260	10	10		BECELP
COc1ccc([N@@H+](CCC[NH3+])CC2CC2)cc1	ZINC000036765317	175137338	/nfs/dbraw/zinc/13/73/38/175137338.db2.gz	GCHHWCAYFLRVNC-UHFFFAOYSA-N	2	2	234.343	2.260	10	10		BECELP
CCN(CC)c1ccc([C@H](C[NH3+])[NH+](C)C)cc1	ZINC000039789108	388410767	/nfs/dbraw/zinc/41/07/67/388410767.db2.gz	VHVVIKIIYGVKII-AWEZNQCLSA-N	2	2	235.375	2.094	10	10		BECELP
C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000037910262	177111584	/nfs/dbraw/zinc/11/15/84/177111584.db2.gz	STYIDRPZDOTZHU-WFASDCNBSA-N	2	2	247.386	2.237	10	10		BECELP
C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000037910262	177111585	/nfs/dbraw/zinc/11/15/85/177111585.db2.gz	STYIDRPZDOTZHU-WFASDCNBSA-N	2	2	247.386	2.237	10	10		BECELP
CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1	ZINC000044539881	640402809	/nfs/dbraw/zinc/40/28/09/640402809.db2.gz	WGVSFSMSOHAWEV-HNNXBMFYSA-N	2	2	247.386	2.066	10	10		BECELP
CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1	ZINC000044539881	640402817	/nfs/dbraw/zinc/40/28/17/640402817.db2.gz	WGVSFSMSOHAWEV-HNNXBMFYSA-N	2	2	247.386	2.066	10	10		BECELP
CC[NH+](CC)CCNc1ccc([NH3+])cc1	ZINC000020381884	371275979	/nfs/dbraw/zinc/27/59/79/371275979.db2.gz	VGDBSAICXDCFAW-UHFFFAOYSA-N	2	2	207.321	2.023	10	10		BECELP
CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000020226114	169086640	/nfs/dbraw/zinc/08/66/40/169086640.db2.gz	SGCZZZGSYZRFKP-AWEZNQCLSA-N	2	2	235.375	2.094	10	10		BECELP
CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000020226114	169086641	/nfs/dbraw/zinc/08/66/41/169086641.db2.gz	SGCZZZGSYZRFKP-AWEZNQCLSA-N	2	2	235.375	2.094	10	10		BECELP
CC(C)[NH2+]CCN(c1ccc([NH3+])cc1)C(C)C	ZINC000616220992	369063834	/nfs/dbraw/zinc/06/38/34/369063834.db2.gz	WQZTUBMUVCUGSC-UHFFFAOYSA-N	2	2	235.375	2.482	10	10		BECELP
CCN(CC)c1ccc([C@@H](C[NH3+])[NH+](C)C)cc1	ZINC000039789106	388410718	/nfs/dbraw/zinc/41/07/18/388410718.db2.gz	VHVVIKIIYGVKII-CQSZACIVSA-N	2	2	235.375	2.094	10	10		BECELP
COc1ccc([NH+]2CCC3(CC[NH2+]C3)CC2)cc1	ZINC000084566182	344441965	/nfs/dbraw/zinc/44/19/65/344441965.db2.gz	DQGYCHXIMIFDTK-UHFFFAOYSA-N	2	2	246.354	2.275	10	10		BECELP
CCC[N@H+](C)[C@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000020226115	169085680	/nfs/dbraw/zinc/08/56/80/169085680.db2.gz	SGCZZZGSYZRFKP-CQSZACIVSA-N	2	2	235.375	2.094	10	10		BECELP
CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000020226115	169085681	/nfs/dbraw/zinc/08/56/81/169085681.db2.gz	SGCZZZGSYZRFKP-CQSZACIVSA-N	2	2	235.375	2.094	10	10		BECELP
CC[NH+](CC)C1=CCC([N+]#N)C=C1Cl	ZINC000138925591	384595542	/nfs/dbraw/zinc/59/55/42/384595542.db2.gz	CIQZYTLWXNTZQX-UHFFFAOYSA-N	2	2	211.696	2.409	10	10		BECELP
CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1	ZINC000044539879	640400916	/nfs/dbraw/zinc/40/09/16/640400916.db2.gz	WGVSFSMSOHAWEV-OAHLLOKOSA-N	2	2	247.386	2.066	10	10		BECELP
CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1	ZINC000044539879	640400918	/nfs/dbraw/zinc/40/09/18/640400918.db2.gz	WGVSFSMSOHAWEV-OAHLLOKOSA-N	2	2	247.386	2.066	10	10		BECELP
[NH3+]CC[C@H]([NH3+])c1c(O)cc(Cl)cc1Cl	ZINC000306773759	351015093	/nfs/dbraw/zinc/01/50/93/351015093.db2.gz	JAOKPZYEIFRRCC-ZETCQYMHSA-N	2	2	235.114	2.048	10	10		BECELP
C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000037910261	176109822	/nfs/dbraw/zinc/10/98/22/176109822.db2.gz	STYIDRPZDOTZHU-DOMZBBRYSA-N	2	2	247.386	2.237	10	10		BECELP
C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000037910261	176109823	/nfs/dbraw/zinc/10/98/23/176109823.db2.gz	STYIDRPZDOTZHU-DOMZBBRYSA-N	2	2	247.386	2.237	10	10		BECELP
[NH3+]CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1O	ZINC000306578692	360468655	/nfs/dbraw/zinc/46/86/55/360468655.db2.gz	MJSAWBJQRYQSJQ-QMMMGPOBSA-N	2	2	235.114	2.048	10	10		BECELP
[NH3+]CCOc1ccc([NH+]2CCCCC2)cc1	ZINC000019726703	132326269	/nfs/dbraw/zinc/32/62/69/132326269.db2.gz	QVBSKOVOJCFVDV-UHFFFAOYSA-N	2	2	220.316	2.014	10	10		BECELP
[NH3+]CC[C@@H]([NH3+])c1c(O)cc(Cl)cc1Cl	ZINC000306773758	351014576	/nfs/dbraw/zinc/01/45/76/351014576.db2.gz	JAOKPZYEIFRRCC-SSDOTTSWSA-N	2	2	235.114	2.048	10	10		BECELP
[NH3+]CCCC[C@@H]([NH3+])c1cccc(Cl)c1O	ZINC000575439433	387123919	/nfs/dbraw/zinc/12/39/19/387123919.db2.gz	KWSHCVFROUPUAL-SNVBAGLBSA-N	2	2	228.723	2.174	10	10		BECELP
[NH3+]CCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1O	ZINC000575438765	387120002	/nfs/dbraw/zinc/12/00/02/387120002.db2.gz	ITNSTIJAXFUDAR-SECBINFHSA-N	2	2	249.141	2.438	10	10		BECELP
CC[NH+](CC)[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000032497023	355410564	/nfs/dbraw/zinc/41/05/64/355410564.db2.gz	HHFZCYTXYQCNGD-AWEZNQCLSA-N	2	2	235.375	2.094	10	10		BECELP
[NH3+]CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1O	ZINC000306578691	360468663	/nfs/dbraw/zinc/46/86/63/360468663.db2.gz	MJSAWBJQRYQSJQ-MRVPVSSYSA-N	2	2	235.114	2.048	10	10		BECELP
CC[NH2+]Cc1ccc(OC)c(Cn2cc[nH+]c2)c1	ZINC000016942165	170127099	/nfs/dbraw/zinc/12/70/99/170127099.db2.gz	IDEVAIIBUCGMLP-UHFFFAOYSA-N	2	2	245.326	2.050	10	10		BECELP