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)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1	ZINC000015885105	553540186	/nfs/dbraw/zinc/54/01/86/553540186.db2.gz	WRKRKCSYDGDHGK-QFIPXVFZSA-N	0	3	517.579	1.987	50	30		KDEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1	ZINC000015885107	553540173	/nfs/dbraw/zinc/54/01/73/553540173.db2.gz	WRKRKCSYDGDHGK-JOCHJYFZSA-N	0	3	517.579	1.987	50	30		KDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@]12c1ccccc1N(C)C2=O	ZINC000016742413	553580429	/nfs/dbraw/zinc/58/04/29/553580429.db2.gz	SDBQVOAVPUTZJQ-SANMLTNESA-N	0	3	526.615	1.598	50	30		KDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@]12c1ccccc1N(C)C2=O	ZINC000016742414	553580467	/nfs/dbraw/zinc/58/04/67/553580467.db2.gz	SDBQVOAVPUTZJQ-AREMUKBSSA-N	0	3	526.615	1.598	50	30		KDEAHN
COc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000016742415	553580491	/nfs/dbraw/zinc/58/04/91/553580491.db2.gz	DQGCNRSQNHRUOH-QHCPKHFHSA-N	0	3	529.615	1.856	50	30		KDEAHN
COc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000016742416	553580476	/nfs/dbraw/zinc/58/04/76/553580476.db2.gz	DQGCNRSQNHRUOH-HSZRJFAPSA-N	0	3	529.615	1.856	50	30		KDEAHN
C=C(C)CN1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)CN3CCN(CC(=C)C)CC3)cc2)CC1	ZINC000019314417	553612957	/nfs/dbraw/zinc/61/29/57/553612957.db2.gz	IBLYJNZFTQOXCS-UIOOFZCWSA-N	0	3	502.700	1.553	50	30		KDEAHN
C=C(C)CN1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CCN(CC(=C)C)CC3)cc2)CC1	ZINC000019314420	553613110	/nfs/dbraw/zinc/61/31/10/553613110.db2.gz	IBLYJNZFTQOXCS-CLJLJLNGSA-N	0	3	502.700	1.553	50	30		KDEAHN
C=C(C)CN1CCN(C[C@@H](O)COc2ccc(OC[C@@H](O)CN3CCN(CC(=C)C)CC3)cc2)CC1	ZINC000022916769	553766456	/nfs/dbraw/zinc/76/64/56/553766456.db2.gz	IBLYJNZFTQOXCS-WMPKNSHKSA-N	0	3	502.700	1.553	50	30		KDEAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1	ZINC000071328688	553635451	/nfs/dbraw/zinc/63/54/51/553635451.db2.gz	VFDYLVPNVMHPJL-MOPGFXCFSA-N	0	3	505.666	1.122	50	30		KDEAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1	ZINC000071328689	553635366	/nfs/dbraw/zinc/63/53/66/553635366.db2.gz	VFDYLVPNVMHPJL-OALUTQOASA-N	0	3	505.666	1.122	50	30		KDEAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)CC1	ZINC000071328690	553635393	/nfs/dbraw/zinc/63/53/93/553635393.db2.gz	VFDYLVPNVMHPJL-RTBURBONSA-N	0	3	505.666	1.122	50	30		KDEAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)CC1	ZINC000071328691	553635386	/nfs/dbraw/zinc/63/53/86/553635386.db2.gz	VFDYLVPNVMHPJL-RBUKOAKNSA-N	0	3	505.666	1.122	50	30		KDEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000097987828	554027284	/nfs/dbraw/zinc/02/72/84/554027284.db2.gz	FTDJXQXAQCDBPI-MHZLTWQESA-N	0	3	540.642	1.988	50	30		KDEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)=C(O)C(=O)N2CCCN(C)C	ZINC000097987829	554027231	/nfs/dbraw/zinc/02/72/31/554027231.db2.gz	FTDJXQXAQCDBPI-HHHXNRCGSA-N	0	3	540.642	1.988	50	30		KDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@]12c1ccccc1N(C)C2=O	ZINC000098046773	554143393	/nfs/dbraw/zinc/14/33/93/554143393.db2.gz	XSOXOCMJBZFHJS-NDEPHWFRSA-N	0	3	568.652	1.368	50	30		KDEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@]12c1ccccc1N(C)C2=O	ZINC000098046774	554143481	/nfs/dbraw/zinc/14/34/81/554143481.db2.gz	XSOXOCMJBZFHJS-MUUNZHRXSA-N	0	3	568.652	1.368	50	30		KDEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046785	554143371	/nfs/dbraw/zinc/14/33/71/554143371.db2.gz	DYOZHWMSIRUWAC-LJAQVGFWSA-N	0	3	582.679	1.758	50	30		KDEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046786	554143752	/nfs/dbraw/zinc/14/37/52/554143752.db2.gz	DYOZHWMSIRUWAC-GDLZYMKVSA-N	0	3	582.679	1.758	50	30		KDEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046789	554143812	/nfs/dbraw/zinc/14/38/12/554143812.db2.gz	GLOWWASZIPBLGX-MHZLTWQESA-N	0	3	540.642	1.988	50	30		KDEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046790	554143824	/nfs/dbraw/zinc/14/38/24/554143824.db2.gz	GLOWWASZIPBLGX-HHHXNRCGSA-N	0	3	540.642	1.988	50	30		KDEAHN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046819	554144187	/nfs/dbraw/zinc/14/41/87/554144187.db2.gz	JWJBTCFEULQLCF-SSEXGKCCSA-N	0	3	594.690	1.924	50	30		KDEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)=C(O)C(=O)N2CCCN(C)C	ZINC000098046820	554144196	/nfs/dbraw/zinc/14/41/96/554144196.db2.gz	JWJBTCFEULQLCF-PMERELPUSA-N	0	3	594.690	1.924	50	30		KDEAHN
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)Nc2cc(nc(NCc3ccccn3)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952977226	1066392848	/nfs/dbraw/zinc/39/28/48/1066392848.db2.gz	SSROWXWEYFIESG-BFMBIBTESA-N	0	3	544.660	1.190	50	30		KDEAHN