smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1	ZINC000538094921	483799604	/nfs/dbraw/zinc/79/96/04/483799604.db2.gz	VLDBLGDLLPCZHZ-HNNXBMFYSA-N	2	1	369.422	-0.689	20	5		FBBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1	ZINC000538094922	483799193	/nfs/dbraw/zinc/79/91/93/483799193.db2.gz	VLDBLGDLLPCZHZ-OAHLLOKOSA-N	2	1	369.422	-0.689	20	5		FBBDMP
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228483	483869151	/nfs/dbraw/zinc/86/91/51/483869151.db2.gz	FHPXBFUZVZQIBX-CABCVRRESA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228483	483869148	/nfs/dbraw/zinc/86/91/48/483869148.db2.gz	FHPXBFUZVZQIBX-CABCVRRESA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228506	483869206	/nfs/dbraw/zinc/86/92/06/483869206.db2.gz	FHPXBFUZVZQIBX-GJZGRUSLSA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228506	483869203	/nfs/dbraw/zinc/86/92/03/483869203.db2.gz	FHPXBFUZVZQIBX-GJZGRUSLSA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228507	483869041	/nfs/dbraw/zinc/86/90/41/483869041.db2.gz	FHPXBFUZVZQIBX-HUUCEWRRSA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228507	483869040	/nfs/dbraw/zinc/86/90/40/483869040.db2.gz	FHPXBFUZVZQIBX-HUUCEWRRSA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228509	483869622	/nfs/dbraw/zinc/86/96/22/483869622.db2.gz	FHPXBFUZVZQIBX-LSDHHAIUSA-N	2	1	368.438	-0.316	20	5		FBBDMP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000569228509	483869621	/nfs/dbraw/zinc/86/96/21/483869621.db2.gz	FHPXBFUZVZQIBX-LSDHHAIUSA-N	2	1	368.438	-0.316	20	5		FBBDMP
NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385677	483965533	/nfs/dbraw/zinc/96/55/33/483965533.db2.gz	MNEFKFVVEZMJFJ-GXTWGEPZSA-N	2	1	354.411	-0.671	20	5		FBBDMP
NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385690	483964449	/nfs/dbraw/zinc/96/44/49/483964449.db2.gz	MNEFKFVVEZMJFJ-JSGCOSHPSA-N	2	1	354.411	-0.671	20	5		FBBDMP
NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385692	483964318	/nfs/dbraw/zinc/96/43/18/483964318.db2.gz	MNEFKFVVEZMJFJ-OCCSQVGLSA-N	2	1	354.411	-0.671	20	5		FBBDMP
NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000577385694	483965333	/nfs/dbraw/zinc/96/53/33/483965333.db2.gz	MNEFKFVVEZMJFJ-TZMCWYRMSA-N	2	1	354.411	-0.671	20	5		FBBDMP
O=C(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCNCC1	ZINC000584715380	483873209	/nfs/dbraw/zinc/87/32/09/483873209.db2.gz	KTCNVRDJBXTFDG-UHFFFAOYSA-N	2	1	358.358	-0.058	20	5		FBBDMP
C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001055633153	662378778	/nfs/dbraw/zinc/37/87/78/662378778.db2.gz	CLBXYGYHLJHZQI-ZIAGYGMSSA-N	2	1	355.439	-0.700	20	5		FBBDMP
C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350776	842930050	/nfs/dbraw/zinc/93/00/50/842930050.db2.gz	NFNNLICTPCXVMR-GDBMZVCRSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350776	842930045	/nfs/dbraw/zinc/93/00/45/842930045.db2.gz	NFNNLICTPCXVMR-GDBMZVCRSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350777	842929790	/nfs/dbraw/zinc/92/97/90/842929790.db2.gz	NFNNLICTPCXVMR-GOEBONIOSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350777	842929779	/nfs/dbraw/zinc/92/97/79/842929779.db2.gz	NFNNLICTPCXVMR-GOEBONIOSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350778	842929847	/nfs/dbraw/zinc/92/98/47/842929847.db2.gz	NFNNLICTPCXVMR-HOCLYGCPSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350778	842929839	/nfs/dbraw/zinc/92/98/39/842929839.db2.gz	NFNNLICTPCXVMR-HOCLYGCPSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350779	842930098	/nfs/dbraw/zinc/93/00/98/842930098.db2.gz	NFNNLICTPCXVMR-ZBFHGGJFSA-N	2	1	352.439	-0.136	20	5		FBBDMP
C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1	ZINC001116350779	842930094	/nfs/dbraw/zinc/93/00/94/842930094.db2.gz	NFNNLICTPCXVMR-ZBFHGGJFSA-N	2	1	352.439	-0.136	20	5		FBBDMP