smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(C)CCOCC[N+]1(CC)CCOCC1	ZINC000005955449	170162203	/nfs/dbraw/zinc/16/22/03/170162203.db2.gz	VTUQMTZTKUFYIU-UHFFFAOYSA-N	2	0	260.422	0.966	10	5		CCBERP
CN1C=CC([C@H](O)[NH2+]CCC[N+](C)(C)C)=C/C1=C\N=O	ZINC000138639154	717151705	/nfs/dbraw/zinc/15/17/05/717151705.db2.gz	VXSZESOTZXIIEG-CMPYXILNSA-N	2	0	281.380	0.984	10	5		CCBERP
CN1C=CC([C@@H](O)[NH2+]CCC[N+](C)(C)C)=C/C1=C\N=O	ZINC000138638990	717152120	/nfs/dbraw/zinc/15/21/20/717152120.db2.gz	VXSZESOTZXIIEG-YPDDLIOESA-N	2	0	281.380	0.984	10	5		CCBERP
C[N+](C)(C)CCOCCOCCOCC[N+](C)(C)C	ZINC000725420028	717188866	/nfs/dbraw/zinc/18/88/66/717188866.db2.gz	CKMXTQVBNALEFI-UHFFFAOYSA-N	2	0	278.437	0.449	10	5		CCBERP
Cc1cnc(N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1	ZINC000122829768	350069760	/nfs/dbraw/zinc/06/97/60/350069760.db2.gz	QZAXZVLDCUDAFH-JTQLQIEISA-N	2	0	265.317	0.377	10	5		CCBERP
C[N+](C)(C)COC(=O)CCCCC(=O)OC[N+](C)(C)C	ZINC000001998242	169765865	/nfs/dbraw/zinc/76/58/65/169765865.db2.gz	AHGVFHQZICHNRU-UHFFFAOYSA-N	2	0	290.404	0.961	10	5		CCBERP
C[N+](C)(CCO)Cc1ccc(C[N+](C)(C)CCO)cc1	ZINC000005764713	717101873	/nfs/dbraw/zinc/10/18/73/717101873.db2.gz	VHVWDMGXVHWSEE-UHFFFAOYSA-N	2	0	282.428	0.824	10	5		CCBERP
CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000149458113	350478056	/nfs/dbraw/zinc/47/80/56/350478056.db2.gz	QLDRXHPKEMLSMW-SECBINFHSA-N	2	0	285.735	0.722	10	5		CCBERP
CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C[NH3+])C1	ZINC000226626771	636993562	/nfs/dbraw/zinc/99/35/62/636993562.db2.gz	FSXOIDNOJUSGMY-QMMMGPOBSA-N	2	0	292.299	0.210	10	5		CCBERP
Cc1cc(N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-]	ZINC000122823679	350070290	/nfs/dbraw/zinc/07/02/90/350070290.db2.gz	ZLVBBGVNMTYBQC-LBPRGKRZSA-N	2	0	264.329	0.982	10	5		CCBERP
CC[N+](C)(CC)CCOCC[N+]1(C)CCOCC1	ZINC000005955257	170162053	/nfs/dbraw/zinc/16/20/53/170162053.db2.gz	SUUWFCGJIVPMJN-UHFFFAOYSA-N	2	0	260.422	0.966	10	5		CCBERP
CN1CCN(c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000158239416	350656513	/nfs/dbraw/zinc/65/65/13/350656513.db2.gz	NESXICNOOGZQBK-SNVBAGLBSA-N	2	0	250.302	0.674	10	5		CCBERP
C[N+](C)(C)CCN(CC[N+](C)(C)C)CC[N+](C)(C)C	ZINC000005285754	170083166	/nfs/dbraw/zinc/08/31/66/170083166.db2.gz	QAVOSJATROBVIF-UHFFFAOYSA-N	3	0	275.505	0.407	10	5		CCBERP