smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1	ZINC000051356264	181382046	/nfs/dbraw/zinc/38/20/46/181382046.db2.gz	GFJPWHXGOAVBCE-UHFFFAOYSA-N	2	0	239.275	0.912	10	5		BCBERP
CN(C)C[C@H]1[C@H](C[NH+](C)C)C2CC[N+]1(C)CC2	ZINC000005115324	717098518	/nfs/dbraw/zinc/09/85/18/717098518.db2.gz	QQLGITONQJBNOJ-DLOXAQCQSA-N	2	0	240.415	0.965	10	5		BCBERP
CN(C)C[C@@H]1[C@@H](C[NH+](C)C)C2CC[N+]1(C)CC2	ZINC000005115328	717098746	/nfs/dbraw/zinc/09/87/46/717098746.db2.gz	QQLGITONQJBNOJ-YRTQGLMCSA-N	2	0	240.415	0.965	10	5		BCBERP
C[n+]1cccc(C(=O)OCC[N+](C)(C)C)c1	ZINC000033883433	717123053	/nfs/dbraw/zinc/12/30/53/717123053.db2.gz	GROFKWVBGDSCJQ-UHFFFAOYSA-N	2	0	224.304	0.374	10	5		BCBERP
C[C@@H](C[N+](C)(C)C)OCC[N+](C)(C)C	ZINC000005735249	717101037	/nfs/dbraw/zinc/10/10/37/717101037.db2.gz	KMMKIOHAGBSFCY-NSHDSACASA-N	2	0	204.358	0.804	10	5		BCBERP
C[N+](C)(C)CCOC(=O)[C@@H]1CCC[N+](C)(C)C1	ZINC000033883482	717123153	/nfs/dbraw/zinc/12/31/53/717123153.db2.gz	SERTZVLJTRGMPQ-GFCCVEGCSA-N	2	0	244.379	0.722	10	5		BCBERP
[NH3+]CCCNc1ccc(C[NH3+])cc1[N+](=O)[O-]	ZINC000137065785	181383917	/nfs/dbraw/zinc/38/39/17/181383917.db2.gz	UEUYIFUTFQDIGC-UHFFFAOYSA-N	2	0	224.264	0.814	10	5		BCBERP
CN(CC[N+](C)(C)C)CC[N+](C)(C)C	ZINC000033649756	717121628	/nfs/dbraw/zinc/12/16/28/717121628.db2.gz	HBXIZDUVYOKQBP-UHFFFAOYSA-N	2	0	203.374	0.331	10	5		BCBERP
CN(C)C[C@H]1[C@@H](C[NH+](C)C)C2CC[N+]1(C)CC2	ZINC000005115331	717098731	/nfs/dbraw/zinc/09/87/31/717098731.db2.gz	QQLGITONQJBNOJ-CWVKQELPSA-N	2	0	240.415	0.965	10	5		BCBERP
C[n+]1ccccc1CC[N+]1(C)CCOCC1	ZINC000003636464	717097296	/nfs/dbraw/zinc/09/72/96/717097296.db2.gz	AYTSVHYZGXEPJR-UHFFFAOYSA-N	2	0	222.332	0.530	10	5		BCBERP
CN(C)C[C@@H]1[C@H](C[NH+](C)C)C2CC[N+]1(C)CC2	ZINC000005115321	172485043	/nfs/dbraw/zinc/48/50/43/172485043.db2.gz	QQLGITONQJBNOJ-YXXKGXSTSA-N	2	0	240.415	0.965	10	5		BCBERP
C[C@H](C[N+](C)(C)C)OCC[N+](C)(C)C	ZINC000005751535	717100996	/nfs/dbraw/zinc/10/09/96/717100996.db2.gz	KMMKIOHAGBSFCY-LLVKDONJSA-N	2	0	204.358	0.804	10	5		BCBERP
C[N+](C)(C)CCOCC[N+]1(C)CCOCC1	ZINC000006068274	717104558	/nfs/dbraw/zinc/10/45/58/717104558.db2.gz	ZHCDTLBCZZYOND-UHFFFAOYSA-N	2	0	232.368	0.186	10	5		BCBERP
C[N+](C)(C)CCOC(=O)[C@H]1CCC[N+](C)(C)C1	ZINC000033883481	717123075	/nfs/dbraw/zinc/12/30/75/717123075.db2.gz	SERTZVLJTRGMPQ-LBPRGKRZSA-N	2	0	244.379	0.722	10	5		BCBERP
C[N+](C)(C)CCOCC[N+]1(C)CCCC1	ZINC000033852454	717122200	/nfs/dbraw/zinc/12/22/00/717122200.db2.gz	ISBDKWYSJPHPSI-UHFFFAOYSA-N	2	0	216.369	0.950	10	5		BCBERP
C[N+](C)(C)CCOC(=O)CC[N+]1(C)CCCC1	ZINC000003603560	177487335	/nfs/dbraw/zinc/48/73/35/177487335.db2.gz	OYMSOZFLSKHTTP-UHFFFAOYSA-N	2	0	244.379	0.866	10	5		BCBERP
C[N+](C)(C)CCOC(=O)CC[N+](C)(C)C	ZINC000002021875	717093447	/nfs/dbraw/zinc/09/34/47/717093447.db2.gz	IXIGZCVIXJPUFC-UHFFFAOYSA-N	2	0	218.341	0.332	10	5		BCBERP