smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCNC(=O)[C@@H](N)CCC[C@H]([NH3+])C(=O)NCCCCCC	ZINC000045187273	205117083	/nfs/dbraw/zinc/11/70/83/205117083.db2.gz	JSMOJFLNBGJRIR-IRXDYDNUSA-N	1	3	356.555	2.204	1	0		FEAFHO
C[NH2+]CCNC[C@H]1CCC[C@@]12C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2	ZINC000085547576	291050084	/nfs/dbraw/zinc/05/00/84/291050084.db2.gz	MGICYJJSAWMNGJ-AIGJGIFASA-N	1	3	350.547	2.294	1	0	biogenic,in-vitro	FEAFHO
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc2ccc(C3=NCCN3)cc2o1	ZINC000006535485	204252282	/nfs/dbraw/zinc/25/22/82/204252282.db2.gz	CJFUDTPVJOJIIZ-UHFFFAOYSA-N	1	3	373.416	2.385	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=NCCC[NH3+])c1c(n2C)N[C@H]2C=CC=C[C@@H]12	ZINC000103164676	132236625	/nfs/dbraw/zinc/23/66/25/132236625.db2.gz	AHFQPZUEVZSQGJ-ZBFHGGJFSA-N	1	3	364.449	2.095	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=[NH+]CCCN)c1c(n2C)N[C@H]2C=CC=C[C@@H]12	ZINC000103164676	132236626	/nfs/dbraw/zinc/23/66/26/132236626.db2.gz	AHFQPZUEVZSQGJ-ZBFHGGJFSA-N	1	3	364.449	2.095	1	0		FEAFHO
CN(C)CCNc1ccc2c3c1cccc3C(=O)N(CCC[NH+](C)C)C2=O	ZINC000040980654	208278383	/nfs/dbraw/zinc/27/83/83/208278383.db2.gz	YLXNOXYCBDMBHF-UHFFFAOYSA-N	1	3	368.481	2.361	1	0		FEAFHO
Cc1ccc(O[C@@H]2C[NH2+][C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1	ZINC000049089526	221019147	/nfs/dbraw/zinc/01/91/47/221019147.db2.gz	ZZKBBEYDJQTXJT-VQTJNVASSA-N	1	3	357.498	2.191	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=NCCC[NH3+])c1c(n2C)N[C@@H]2C=CC=C[C@H]12	ZINC000103164674	132236602	/nfs/dbraw/zinc/23/66/02/132236602.db2.gz	AHFQPZUEVZSQGJ-GOEBONIOSA-N	1	3	364.449	2.095	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=[NH+]CCCN)c1c(n2C)N[C@@H]2C=CC=C[C@H]12	ZINC000103164674	132236603	/nfs/dbraw/zinc/23/66/03/132236603.db2.gz	AHFQPZUEVZSQGJ-GOEBONIOSA-N	1	3	364.449	2.095	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=NCCC[NH3+])c1c(n2C)N[C@@H]2C=CC=C[C@@H]12	ZINC000103164678	132236886	/nfs/dbraw/zinc/23/68/86/132236886.db2.gz	AHFQPZUEVZSQGJ-GDBMZVCRSA-N	1	3	364.449	2.095	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=[NH+]CCCN)c1c(n2C)N[C@@H]2C=CC=C[C@@H]12	ZINC000103164678	132236888	/nfs/dbraw/zinc/23/68/88/132236888.db2.gz	AHFQPZUEVZSQGJ-GDBMZVCRSA-N	1	3	364.449	2.095	1	0		FEAFHO
CN(C)CCN1C(=O)c2cccc3c(NCCC[NH+](C)C)ccc(c32)C1=O	ZINC000040950166	208277371	/nfs/dbraw/zinc/27/73/71/208277371.db2.gz	CDPDHPAHHZPPHB-UHFFFAOYSA-N	1	3	368.481	2.361	1	0		FEAFHO
CCCCCCNC(=O)[C@H](N)CCC[C@@H]([NH3+])C(=O)NCCCCCC	ZINC000045187276	208328447	/nfs/dbraw/zinc/32/84/47/208328447.db2.gz	JSMOJFLNBGJRIR-IAGOWNOFSA-N	1	3	356.555	2.204	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=NCCC[NH3+])c1c(n2C)N[C@H]2C=CC=C[C@H]12	ZINC000103164672	132236558	/nfs/dbraw/zinc/23/65/58/132236558.db2.gz	AHFQPZUEVZSQGJ-HOCLYGCPSA-N	1	3	364.449	2.095	1	0		FEAFHO
COC(=O)c1ccc2c(c1)c(=[NH+]CCCN)c1c(n2C)N[C@H]2C=CC=C[C@H]12	ZINC000103164672	132236560	/nfs/dbraw/zinc/23/65/60/132236560.db2.gz	AHFQPZUEVZSQGJ-HOCLYGCPSA-N	1	3	364.449	2.095	1	0		FEAFHO