smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C[NH+]1CCOCC1	ZINC000161114791	381045397	/nfs/dbraw/zinc/04/53/97/381045397.db2.gz	ZVAQPFFYXZHCCH-QWHCGFSZSA-N	1	1	322.413	-0.140	10	70		DBIEMO
COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H](n3cncn3)C2)nn1	ZINC000160006899	533787145	/nfs/dbraw/zinc/78/71/45/533787145.db2.gz	KPGUJUXBHHDMRT-CYBMUJFWSA-N	1	1	319.369	-0.078	10	70		DBIEMO
COCC[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161044358	376395288	/nfs/dbraw/zinc/39/52/88/376395288.db2.gz	JPNRMZNAZOAJKS-GFCCVEGCSA-N	1	1	308.386	-0.434	10	70		DBIEMO
Cn1cnc2cc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cnc21	ZINC000160469152	379583455	/nfs/dbraw/zinc/58/34/55/379583455.db2.gz	ZZICHBROPLNIGZ-LBPRGKRZSA-N	1	1	302.382	-0.056	10	70		DBIEMO
C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)C[NH+]1CCOCC1	ZINC000161114989	381045577	/nfs/dbraw/zinc/04/55/77/381045577.db2.gz	ZVAQPFFYXZHCCH-STQMWFEESA-N	1	1	322.413	-0.140	10	70		DBIEMO
CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000161302219	376402347	/nfs/dbraw/zinc/40/23/47/376402347.db2.gz	LHKHSQLGLWIUNB-GFCCVEGCSA-N	1	1	320.397	-0.564	10	70		DBIEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000161302219	376402356	/nfs/dbraw/zinc/40/23/56/376402356.db2.gz	LHKHSQLGLWIUNB-GFCCVEGCSA-N	1	1	320.397	-0.564	10	70		DBIEMO
COCC[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161044496	376395022	/nfs/dbraw/zinc/39/50/22/376395022.db2.gz	JPNRMZNAZOAJKS-LBPRGKRZSA-N	1	1	308.386	-0.434	10	70		DBIEMO
Cn1cnc2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cnc21	ZINC000160469019	379582164	/nfs/dbraw/zinc/58/21/64/379582164.db2.gz	ZZICHBROPLNIGZ-GFCCVEGCSA-N	1	1	302.382	-0.056	10	70		DBIEMO
COC(=O)Cn1cc(CC[N@H+]2CCC[C@H](n3cncn3)C2)nn1	ZINC000160006764	533787564	/nfs/dbraw/zinc/78/75/64/533787564.db2.gz	KPGUJUXBHHDMRT-ZDUSSCGKSA-N	1	1	319.369	-0.078	10	70		DBIEMO
CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000161302331	376402801	/nfs/dbraw/zinc/40/28/01/376402801.db2.gz	LHKHSQLGLWIUNB-LBPRGKRZSA-N	1	1	320.397	-0.564	10	70		DBIEMO
CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1	ZINC000161302331	376402804	/nfs/dbraw/zinc/40/28/04/376402804.db2.gz	LHKHSQLGLWIUNB-LBPRGKRZSA-N	1	1	320.397	-0.564	10	70		DBIEMO
C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)C[NH+]1CCOCC1	ZINC000161115068	381045540	/nfs/dbraw/zinc/04/55/40/381045540.db2.gz	ZVAQPFFYXZHCCH-OLZOCXBDSA-N	1	1	322.413	-0.140	10	70		DBIEMO
C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)C[NH+]1CCOCC1	ZINC000161114885	381045317	/nfs/dbraw/zinc/04/53/17/381045317.db2.gz	ZVAQPFFYXZHCCH-CHWSQXEVSA-N	1	1	322.413	-0.140	10	70		DBIEMO