smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3sc1ccccc21	ZINC000029311859	563077624	/nfs/dbraw/zinc/07/76/24/563077624.db2.gz	RAMDFKOSIVSKDD-UHFFFAOYSA-N	2	0	425.602	3.740	1	5		IHBFRP
C[NH+](C)CCNc1ccc2c3c1cc1c(Cl)cccc1c3C(=O)N(CC[NH+](C)C)C2=O	ZINC000029343736	563078672	/nfs/dbraw/zinc/07/86/72/563078672.db2.gz	IQCFWJIJLFBEFD-UHFFFAOYSA-N	2	0	438.959	3.778	1	5		IHBFRP
CC[NH+](CC)CCOc1ccc2cc3ccc(OCC[NH+](CC)CC)c(N)c3nc2c1N	ZINC000029462344	563080237	/nfs/dbraw/zinc/08/02/37/563080237.db2.gz	QWVBCPIXQKIUTC-UHFFFAOYSA-N	2	0	439.604	3.994	1	5		IHBFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH2+]CCO)c2ccccc2sc31	ZINC000029335496	563078234	/nfs/dbraw/zinc/07/82/34/563078234.db2.gz	NWIAIZYCMLSVJQ-UHFFFAOYSA-N	2	0	425.602	3.740	1	5		IHBFRP
COc1ccc2[nH]c3c(c2c1)c(C)c1c(cc[nH+]c1NCCC[NH+](CCO)CCO)c3C	ZINC000029546058	563081768	/nfs/dbraw/zinc/08/17/68/563081768.db2.gz	IASFTLBWFHWYIA-UHFFFAOYSA-N	2	0	436.556	3.583	1	5		IHBFRP
O[C@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@@H](O)C6)c4)c3)CCC1CC2	ZINC000071331703	717133199	/nfs/dbraw/zinc/13/31/99/717133199.db2.gz	NJMHXRYJKBZHDO-FAPJWQGMSA-N	2	0	434.624	3.556	1	5		IHBFRP
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@@]43C)[C@@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O	ZINC000095563598	563182912	/nfs/dbraw/zinc/18/29/12/563182912.db2.gz	SBFYZJRWOSILAW-XVNATOMISA-N	2	0	434.709	3.920	1	5		IHBFRP
O[C@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@H](O)C6)c4)c3)CCC1CC2	ZINC000071331701	717133055	/nfs/dbraw/zinc/13/30/55/717133055.db2.gz	NJMHXRYJKBZHDO-ZIIBRXAFSA-N	2	0	434.624	3.556	1	5		IHBFRP
CC[NH+](CC)CCn1ncc2c1ccc1c2c(=O)c2cccnc2n1CC[NH+](CC)CC	ZINC000001638200	562923449	/nfs/dbraw/zinc/92/34/49/562923449.db2.gz	ARODSBOXDTXECO-UHFFFAOYSA-N	2	0	434.588	3.583	1	5		IHBFRP
CC[NH+](CC)CCn1ncc2ccc3c(c21)c(=O)c1cccnc1n3CC[NH+](CC)CC	ZINC000001638201	562923473	/nfs/dbraw/zinc/92/34/73/562923473.db2.gz	CUZKGQBVNAMXQJ-UHFFFAOYSA-N	2	0	434.588	3.583	1	5		IHBFRP
O[C@@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@H](O)C6)c4)c3)CCC1CC2	ZINC000071331700	717133245	/nfs/dbraw/zinc/13/32/45/717133245.db2.gz	NJMHXRYJKBZHDO-CZISBDIISA-N	2	0	434.624	3.556	1	5		IHBFRP
CC(=[NH2+])N1CCC(Oc2ccc(NC/C=C/c3cccc(C(N)=[NH2+])c3)cc2[N+](=O)[O-])CC1	ZINC000013441105	562986342	/nfs/dbraw/zinc/98/63/42/562986342.db2.gz	YNYVXZDENRCRMJ-ZDIRTLHWSA-N	2	0	436.516	3.845	1	5		IHBFRP