smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cn1cc(CC[NH+]2CCN(Cc3nccn3C)CC2)nn1	ZINC000160019642	377237991	/nfs/dbraw/zinc/23/79/91/377237991.db2.gz	CKFOCRIRDPIERN-UHFFFAOYSA-N	1	1	347.423	-0.455	20	70		EBIDMO
C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@@H]1CCC[C@@H]1O	ZINC000159576199	377308741	/nfs/dbraw/zinc/30/87/41/377308741.db2.gz	YLSWQMWZMHKYKF-ONGXEEELSA-N	1	1	336.392	-0.271	20	70		EBIDMO
C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@@H]1CCC[C@@H]1O	ZINC000159576199	377308749	/nfs/dbraw/zinc/30/87/49/377308749.db2.gz	YLSWQMWZMHKYKF-ONGXEEELSA-N	1	1	336.392	-0.271	20	70		EBIDMO
CCC(=O)N1CC[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000161424673	419087822	/nfs/dbraw/zinc/08/78/22/419087822.db2.gz	WHUWIIMGPRQCQZ-KBPBESRZSA-N	1	1	338.452	-0.052	20	70		EBIDMO
CCC(=O)N1CC[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000161424781	419089459	/nfs/dbraw/zinc/08/94/59/419089459.db2.gz	WHUWIIMGPRQCQZ-UONOGXRCSA-N	1	1	338.452	-0.052	20	70		EBIDMO
CC[N@@H+](C)CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000160150292	377320615	/nfs/dbraw/zinc/32/06/15/377320615.db2.gz	ZXDMHSRESPUMLG-UHFFFAOYSA-N	1	1	333.392	-0.378	20	70		EBIDMO
CN(C)S(=O)(=O)CCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000159371564	546006260	/nfs/dbraw/zinc/00/62/60/546006260.db2.gz	BMRNMZBXSDNDIA-AWEZNQCLSA-N	1	1	346.497	-0.318	20	70		EBIDMO
CN(C)S(=O)(=O)CCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1	ZINC000159371564	546006264	/nfs/dbraw/zinc/00/62/64/546006264.db2.gz	BMRNMZBXSDNDIA-AWEZNQCLSA-N	1	1	346.497	-0.318	20	70		EBIDMO
CCCn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159739812	377186775	/nfs/dbraw/zinc/18/67/75/377186775.db2.gz	VQSZZVIPYDDJQT-MNOVXSKESA-N	1	1	338.408	-0.196	20	70		EBIDMO
CCCn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159739812	377186786	/nfs/dbraw/zinc/18/67/86/377186786.db2.gz	VQSZZVIPYDDJQT-MNOVXSKESA-N	1	1	338.408	-0.196	20	70		EBIDMO
Cc1nc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1C	ZINC000160995581	378325130	/nfs/dbraw/zinc/32/51/30/378325130.db2.gz	JCGZIAMYOQFVSX-ZDUSSCGKSA-N	1	1	347.419	-0.235	20	70		EBIDMO
Cn1c2[nH]c(C[N@H+](C[C@H]3CCOC3)C3CC3)nc2c(=O)n(C)c1=O	ZINC000161410272	377344515	/nfs/dbraw/zinc/34/45/15/377344515.db2.gz	UVXKGWVFFRYOAB-SNVBAGLBSA-N	1	1	333.392	-0.039	20	70		EBIDMO
Cn1c2[nH]c(C[N@@H+](C[C@H]3CCOC3)C3CC3)nc2c(=O)n(C)c1=O	ZINC000161410272	377344525	/nfs/dbraw/zinc/34/45/25/377344525.db2.gz	UVXKGWVFFRYOAB-SNVBAGLBSA-N	1	1	333.392	-0.039	20	70		EBIDMO
CN(C)S(=O)(=O)CCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159371428	545763658	/nfs/dbraw/zinc/76/36/58/545763658.db2.gz	BMRNMZBXSDNDIA-CQSZACIVSA-N	1	1	346.497	-0.318	20	70		EBIDMO
CN(C)S(=O)(=O)CCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1	ZINC000159371428	545763660	/nfs/dbraw/zinc/76/36/60/545763660.db2.gz	BMRNMZBXSDNDIA-CQSZACIVSA-N	1	1	346.497	-0.318	20	70		EBIDMO
CN(CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ncnc2[nH]cnc21	ZINC000160667994	377330658	/nfs/dbraw/zinc/33/06/58/377330658.db2.gz	UMQIXPWPIIQRCC-LBPRGKRZSA-N	1	1	347.423	-0.248	20	70		EBIDMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159641760	377309713	/nfs/dbraw/zinc/30/97/13/377309713.db2.gz	QBAFGTCOCSJHHG-VWYCJHECSA-N	1	1	338.408	-0.670	20	70		EBIDMO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159641760	377309724	/nfs/dbraw/zinc/30/97/24/377309724.db2.gz	QBAFGTCOCSJHHG-VWYCJHECSA-N	1	1	338.408	-0.670	20	70		EBIDMO
COCCCNC(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159407129	523346232	/nfs/dbraw/zinc/34/62/32/523346232.db2.gz	ZYQFNUBWEZJESZ-UKRRQHHQSA-N	1	1	340.468	-0.058	20	70		EBIDMO
Cn1c2[nH]c(C[N@H+](C[C@@H]3CCOC3)C3CC3)nc2c(=O)n(C)c1=O	ZINC000161410149	377343844	/nfs/dbraw/zinc/34/38/44/377343844.db2.gz	UVXKGWVFFRYOAB-JTQLQIEISA-N	1	1	333.392	-0.039	20	70		EBIDMO
Cn1c2[nH]c(C[N@@H+](C[C@@H]3CCOC3)C3CC3)nc2c(=O)n(C)c1=O	ZINC000161410149	377343848	/nfs/dbraw/zinc/34/38/48/377343848.db2.gz	UVXKGWVFFRYOAB-JTQLQIEISA-N	1	1	333.392	-0.039	20	70		EBIDMO
CCCn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159739672	377187770	/nfs/dbraw/zinc/18/77/70/377187770.db2.gz	VQSZZVIPYDDJQT-QWRGUYRKSA-N	1	1	338.408	-0.196	20	70		EBIDMO
CCCn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159739672	377187778	/nfs/dbraw/zinc/18/77/78/377187778.db2.gz	VQSZZVIPYDDJQT-QWRGUYRKSA-N	1	1	338.408	-0.196	20	70		EBIDMO
CC[N@H+]1CCCN(C(=O)NC2CCN(CC(=O)NC)CC2)CC1	ZINC000159645616	377311833	/nfs/dbraw/zinc/31/18/33/377311833.db2.gz	QQADFKVOYIHJSX-UHFFFAOYSA-N	1	1	325.457	-0.066	20	70		EBIDMO
CN(CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ncnc2[nH]cnc21	ZINC000160668132	377331273	/nfs/dbraw/zinc/33/12/73/377331273.db2.gz	UMQIXPWPIIQRCC-GFCCVEGCSA-N	1	1	347.423	-0.248	20	70		EBIDMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159641618	377309819	/nfs/dbraw/zinc/30/98/19/377309819.db2.gz	QBAFGTCOCSJHHG-DCAQKATOSA-N	1	1	338.408	-0.670	20	70		EBIDMO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159641618	377309825	/nfs/dbraw/zinc/30/98/25/377309825.db2.gz	QBAFGTCOCSJHHG-DCAQKATOSA-N	1	1	338.408	-0.670	20	70		EBIDMO
COCCCNC(=O)[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000159407026	376983719	/nfs/dbraw/zinc/98/37/19/376983719.db2.gz	ZYQFNUBWEZJESZ-DZGCQCFKSA-N	1	1	340.468	-0.058	20	70		EBIDMO
Cc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c(=O)[nH]c1C	ZINC000160995452	378325678	/nfs/dbraw/zinc/32/56/78/378325678.db2.gz	JCGZIAMYOQFVSX-CYBMUJFWSA-N	1	1	347.419	-0.235	20	70		EBIDMO
C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@H]1CCC[C@@H]1O	ZINC000159576322	377308671	/nfs/dbraw/zinc/30/86/71/377308671.db2.gz	YLSWQMWZMHKYKF-KOLCDFICSA-N	1	1	336.392	-0.271	20	70		EBIDMO
C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@H]1CCC[C@@H]1O	ZINC000159576322	377308677	/nfs/dbraw/zinc/30/86/77/377308677.db2.gz	YLSWQMWZMHKYKF-KOLCDFICSA-N	1	1	336.392	-0.271	20	70		EBIDMO