smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1OCC[NH2+]CCCCCC[NH2+][C@H]1CCc2c(ccc(O)c2O)C1	ZINC000026672201	563035394	/nfs/dbraw/zinc/03/53/94/563035394.db2.gz	MYSRHFYWUJLKER-FQEVSTJZSA-N	2	0	428.573	3.782	1	10		IHCFRP
C[NH+](C)CCCOc1cccc2c1ccc1nc3cccc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000027763579	563046990	/nfs/dbraw/zinc/04/69/90/563046990.db2.gz	HBFFTQYLLICTHD-UHFFFAOYSA-N	2	0	445.567	3.558	1	10		IHCFRP
C[NH+](C)CCNc1ccc(Cl)c2c1C(=O)c1c(NCC[NH+](C)C)ccc(Cl)c1C2=O	ZINC000029406093	563079530	/nfs/dbraw/zinc/07/95/30/563079530.db2.gz	VMYJDMNGCFGRKM-UHFFFAOYSA-N	2	0	449.382	3.716	1	10		IHCFRP
CC[NH+](CC)CCOc1cccc2c1C(=O)c1c(OCC[NH+](CC)CC)cccc1C2=O	ZINC000027524223	563043023	/nfs/dbraw/zinc/04/30/23/563043023.db2.gz	VSLYRNHVUOTNBV-UHFFFAOYSA-N	2	0	438.568	3.903	1	10		IHCFRP
C[NH+](C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O	ZINC000031440409	563083307	/nfs/dbraw/zinc/08/33/07/563083307.db2.gz	HAEKNXAACCDGRU-UHFFFAOYSA-N	2	0	449.382	3.716	1	10		IHCFRP
CC[N@H+](CCNC(=O)[C@H](C)[NH3+])Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045286658	563128366	/nfs/dbraw/zinc/12/83/66/563128366.db2.gz	KPUHLEJPRONBGY-HNNXBMFYSA-N	2	0	441.963	3.623	1	10		IHCFRP
C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc([N+](=O)[O-])cc4)c3[nH+]c12	ZINC000027742572	563046575	/nfs/dbraw/zinc/04/65/75/563046575.db2.gz	SKQALBCTHBUEPF-UHFFFAOYSA-N	2	0	429.480	3.837	1	10		IHCFRP
C[NH2+]CCNc1c2cc(C(C)(C)C)oc2c(NCC[NH2+]C)c2c1C(=O)c1ccccc1C2=O	ZINC000066101165	563158264	/nfs/dbraw/zinc/15/82/64/563158264.db2.gz	RVKHDKXRRSWCNM-UHFFFAOYSA-N	2	0	448.567	3.768	1	10		IHCFRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCC[NH3+])CC3)c2c1	ZINC000029312148	563077576	/nfs/dbraw/zinc/07/75/76/563077576.db2.gz	BGRGIQMKRZGCPC-UHFFFAOYSA-N	3	0	442.007	3.818	1	10		IHCFRP
C[NH+](C)CCNc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(NCC[NH+](C)C)c1C2=O	ZINC000029406099	563079544	/nfs/dbraw/zinc/07/95/44/563079544.db2.gz	VAXHXNLYZPMCOH-UHFFFAOYSA-N	2	0	449.382	3.716	1	10		IHCFRP
C[NH+](C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O	ZINC000029410873	563079826	/nfs/dbraw/zinc/07/98/26/563079826.db2.gz	MEDMSJJBYWXUQL-UHFFFAOYSA-N	2	0	449.382	3.716	1	10		IHCFRP