smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[NH+]1CCC(O)CC1	ZINC000103262347	204070654	/nfs/dbraw/zinc/07/06/54/204070654.db2.gz	LOZLXXRVMRXAQK-UHFFFAOYSA-N	0	1	337.419	3.686	1	10		EHCFMN
C[C@H](COc1ccc2c(c1)oc1c2C(=O)c2ccccc2C1=O)N(C)C	ZINC000028713984	202175943	/nfs/dbraw/zinc/17/59/43/202175943.db2.gz	HTJRAEYDZNBECV-GFCCVEGCSA-N	0	1	349.386	3.537	1	10		EHCFMN
CCc1c([O-])[n+]2c3ccccc3sc2n(CC2CCCCC2)c1=O	ZINC000101336231	204004926	/nfs/dbraw/zinc/00/49/26/204004926.db2.gz	DSAFEZWPXHHTBJ-CQSZACIVSA-N	0	1	343.472	3.782	1	10		EHCFMN
C[C@H]1Oc2c(c3oc(-c4ccccc4)cc(O)c-3c(=O)c2O)C1(C)C	ZINC000071295934	203091201	/nfs/dbraw/zinc/09/12/01/203091201.db2.gz	BMQYTTWLJMDLLS-SNVBAGLBSA-N	0	1	338.359	3.930	1	10		EHCFMN
CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079534	202287067	/nfs/dbraw/zinc/28/70/67/202287067.db2.gz	SONFQCBNQQMLEZ-OAQYLSRUSA-N	0	1	338.451	3.558	1	10		EHCFMN
CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079535	213007043	/nfs/dbraw/zinc/00/70/43/213007043.db2.gz	SONFQCBNQQMLEZ-NRFANRHFSA-N	0	1	338.451	3.558	1	10		EHCFMN
Cn1c2ccccc2c(=[NH+]Nc2ccccc2C(=O)[O-])c2ccccc21	ZINC000073406821	216384114	/nfs/dbraw/zinc/38/41/14/216384114.db2.gz	JXOZYPCJFBLQQM-UHFFFAOYSA-N	0	1	343.386	3.958	1	10		EHCFMN
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[N@H+]1CCC[C@@H](O)C1	ZINC000103262344	219279186	/nfs/dbraw/zinc/27/91/86/219279186.db2.gz	VPTGOCFZLJQIOT-MRXNPFEDSA-N	0	1	337.419	3.686	1	10		EHCFMN
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[N@@H+]1CCC[C@@H](O)C1	ZINC000103262344	219279189	/nfs/dbraw/zinc/27/91/89/219279189.db2.gz	VPTGOCFZLJQIOT-MRXNPFEDSA-N	0	1	337.419	3.686	1	10		EHCFMN
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[N@H+]1CCC[C@H](O)C1	ZINC000103262342	219279281	/nfs/dbraw/zinc/27/92/81/219279281.db2.gz	VPTGOCFZLJQIOT-INIZCTEOSA-N	0	1	337.419	3.686	1	10		EHCFMN
[O-]c1ccc2oc(Cc3ccccc3)cc2c1C[N@@H+]1CCC[C@H](O)C1	ZINC000103262342	219279283	/nfs/dbraw/zinc/27/92/83/219279283.db2.gz	VPTGOCFZLJQIOT-INIZCTEOSA-N	0	1	337.419	3.686	1	10		EHCFMN
Cc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)NC(=O)NC3=O)c2c1	ZINC000073139124	216354998	/nfs/dbraw/zinc/35/49/98/216354998.db2.gz	YMHBBZKNSBDLPM-UHFFFAOYSA-N	0	1	345.358	3.733	1	10		EHCFMN
COc1cc(O)c2c(=O)c3ccc(O)c(O)c3oc2c1CC=C(C)C	ZINC000014763052	571722774	/nfs/dbraw/zinc/72/27/74/571722774.db2.gz	RSXHTPBQFVJEBZ-UHFFFAOYSA-N	0	1	342.347	3.580	1	10	endogenous,in-man	EHCFMN
CC(C)(C)c1cc(I)c([O-])c(C[N+](C)(C)C)c1	ZINC000040514502	213330475	/nfs/dbraw/zinc/33/04/75/213330475.db2.gz	CNYIHFFSQOMZAQ-UHFFFAOYSA-O	0	1	348.248	3.501	1	10		EHCFMN
CCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074307	215006947	/nfs/dbraw/zinc/00/69/47/215006947.db2.gz	XPFXYWKICZQNES-MRXNPFEDSA-N	0	1	343.398	3.588	1	10		EHCFMN
CN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1	ZINC000022859650	212329944	/nfs/dbraw/zinc/32/99/44/212329944.db2.gz	IHOYNYISJIXRQB-QGZVFWFLSA-N	0	1	344.455	3.527	1	10		EHCFMN
CN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(O)cc32)CC1	ZINC000022859656	212329010	/nfs/dbraw/zinc/32/90/10/212329010.db2.gz	IHOYNYISJIXRQB-KRWDZBQOSA-N	0	1	344.455	3.527	1	10		EHCFMN
CCc1c([O-])[n+]2c3ccccc3sc2n(CC2CCCCC2)c1=O	ZINC000101336228	219122116	/nfs/dbraw/zinc/12/21/16/219122116.db2.gz	DSAFEZWPXHHTBJ-AWEZNQCLSA-N	0	1	343.472	3.782	1	10		EHCFMN