smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CC[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCCC(=O)NO)cc1	ZINC000029054555	563093431	/nfs/dbraw/zinc/09/34/31/563093431.db2.gz	ITDFXJAEHXFADT-UHFFFAOYSA-N	2	0	463.667	2.607	1	30		JFEFRP
NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000036285362	563125282	/nfs/dbraw/zinc/12/52/82/563125282.db2.gz	ZPOQUKYSTRZAFA-JIMJEQGWSA-N	2	0	473.621	2.950	1	30		JFEFRP
C[C@@H]1[NH2+][C@H](C[C@@H](CC=O)CCCCCCC[C@](O)(C[NH2+]C2(C)CC[NH2+]CC2)CC(=O)[O-])CC[C@H]1O	ZINC000085488094	560075804	/nfs/dbraw/zinc/07/58/04/560075804.db2.gz	JEOLEFVONPTMJQ-WVBYHWPDSA-N	2	0	497.721	2.751	1	30	biogenic,in-vitro	JFEFRP
C[C@@H]1[NH2+][C@H](CCCC[C@H]2C#CC[C@@H]3C[C@@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])CCCC2)CC[C@H]1O	ZINC000085488075	560075952	/nfs/dbraw/zinc/07/59/52/560075952.db2.gz	TWVFRTLVMWXBJM-MAANRKEISA-N	2	0	491.717	2.938	1	30	biogenic,in-vitro	JFEFRP
C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3OCCO3)cc2)cc1)CC1OCCO1	ZINC000013649935	562981019	/nfs/dbraw/zinc/98/10/19/562981019.db2.gz	KINWZQQPZDGOFV-UHFFFAOYSA-N	2	0	498.620	2.618	1	30		JFEFRP
CC[NH+]=C(NCCC[NH+](C)C)N(CC)Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O	ZINC000049034749	563198564	/nfs/dbraw/zinc/19/85/64/563198564.db2.gz	GGLXLVAUMFNCFU-UHFFFAOYSA-N	2	0	468.650	2.677	1	30		JFEFRP
CCC[NH+]1CCN(c2nc3ccc(/[NH+]=C/N(C)C)cc3nc2N2CC[NH+](CCC)CC2)CC1	ZINC000053257417	563205485	/nfs/dbraw/zinc/20/54/85/563205485.db2.gz	PYQRPNZZTJLWTE-LHLOQNFPSA-N	3	0	452.651	2.915	1	30		JFEFRP
CCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000043552601	563170372	/nfs/dbraw/zinc/17/03/72/563170372.db2.gz	RZWVLCPAKHBVGN-UHFFFAOYSA-N	4	0	463.777	2.725	1	30		JFEFRP
C[N+](C)(CC#CCN1OCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O	ZINC000013679132	562983918	/nfs/dbraw/zinc/98/39/18/562983918.db2.gz	LFGRXJRAKYIVBG-UHFFFAOYSA-N	2	0	498.668	2.553	1	30		JFEFRP
C[N+]1(CC(=O)c2ccc(Oc3ccc(C(=O)C[N+]4(C)CCOCC4)cc3)cc2)CCOCC1	ZINC000036382672	525357832	/nfs/dbraw/zinc/35/78/32/525357832.db2.gz	DFZPEKPOSVMALN-UHFFFAOYSA-N	2	0	454.567	2.798	1	30		JFEFRP
CNC(=[NH2+])Nc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)cc(OCC[NH2+]C)c1O	ZINC000085597087	291484137	/nfs/dbraw/zinc/48/41/37/291484137.db2.gz	LWFNCSUCAPLJBG-FNORWQNLSA-N	2	0	470.570	2.961	1	30	biogenic,in-vitro	JFEFRP
C[N+](CC(=O)NCC(=O)NCC[N+]1(C)CCCCC1)(Cc1ccccc1)Cc1ccccc1	ZINC000040498395	563144732	/nfs/dbraw/zinc/14/47/32/563144732.db2.gz	WPXMBYOIQROYIZ-UHFFFAOYSA-P	2	0	452.643	2.696	1	30		JFEFRP
C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCNC(N)=[NH2+])cc2)c2ccc(N)cc21	ZINC000026842872	563036920	/nfs/dbraw/zinc/03/69/20/563036920.db2.gz	KNGDDSNVUIICCK-UHFFFAOYSA-O	2	0	478.602	2.549	1	30		JFEFRP