smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F	ZINC000160679535	565255579	/nfs/dbraw/zinc/25/55/79/565255579.db2.gz	AFESODZPLCNHAB-RDTXWAMCSA-N	2	1	385.321	3.402	20	70		GGIDMP
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2F	ZINC000160679668	565255732	/nfs/dbraw/zinc/25/57/32/565255732.db2.gz	AFESODZPLCNHAB-KDOFPFPSSA-N	2	1	385.321	3.402	20	70		GGIDMP
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21	ZINC000160696516	565256893	/nfs/dbraw/zinc/25/68/93/565256893.db2.gz	HOBJUXYATMPNPD-CRAIPNDOSA-N	2	1	397.357	3.489	20	70		GGIDMP
COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Br	ZINC000160663728	565256010	/nfs/dbraw/zinc/25/60/10/565256010.db2.gz	FISUFAUZSIMREI-GOEBONIOSA-N	2	1	385.346	3.345	20	70		GGIDMP
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21	ZINC000160739470	565258023	/nfs/dbraw/zinc/25/80/23/565258023.db2.gz	KMJBFJMQNLCUHS-AEFFLSMTSA-N	2	1	397.357	3.489	20	70		GGIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034853	565270045	/nfs/dbraw/zinc/27/00/45/565270045.db2.gz	SMZJUFIXSNOEIM-IIDMSEBBSA-N	2	1	396.373	3.116	20	70		GGIDMP
COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Br	ZINC000160663861	565255453	/nfs/dbraw/zinc/25/54/53/565255453.db2.gz	FISUFAUZSIMREI-GDBMZVCRSA-N	2	1	385.346	3.345	20	70		GGIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034959	565269902	/nfs/dbraw/zinc/26/99/02/565269902.db2.gz	SMZJUFIXSNOEIM-RVKKMQEKSA-N	2	1	396.373	3.116	20	70		GGIDMP
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21	ZINC000160739599	565257765	/nfs/dbraw/zinc/25/77/65/565257765.db2.gz	KMJBFJMQNLCUHS-SJLPKXTDSA-N	2	1	397.357	3.489	20	70		GGIDMP
CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033198	565270015	/nfs/dbraw/zinc/27/00/15/565270015.db2.gz	ZWVMJQAVYRKUTI-QAPCUYQASA-N	2	1	396.373	3.118	20	70		GGIDMP
CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033361	565270313	/nfs/dbraw/zinc/27/03/13/565270313.db2.gz	ZWVMJQAVYRKUTI-CRAIPNDOSA-N	2	1	396.373	3.118	20	70		GGIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034729	565270554	/nfs/dbraw/zinc/27/05/54/565270554.db2.gz	SMZJUFIXSNOEIM-VKJFTORMSA-N	2	1	396.373	3.116	20	70		GGIDMP
OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21	ZINC000160696412	565256375	/nfs/dbraw/zinc/25/63/75/565256375.db2.gz	HOBJUXYATMPNPD-QAPCUYQASA-N	2	1	397.357	3.489	20	70		GGIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034588	565270121	/nfs/dbraw/zinc/27/01/21/565270121.db2.gz	SMZJUFIXSNOEIM-RKVPGOIHSA-N	2	1	396.373	3.116	20	70		GGIDMP