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)[C@@H]1O[C@H]([N+](C)(C)CCC=C2c3ccccc3CCc3ccccc32)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	ZINC000504063865	717182678	/nfs/dbraw/zinc/18/26/78/717182678.db2.gz	XWMFQWVESUHSEF-NGFPHSLCSA-N	1	0	678.843	5.285	10	10		KKCERO
COc1cccc(C[N@@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3sc(C)nc3c2)c1O	ZINC000012157533	553353008	/nfs/dbraw/zinc/35/30/08/553353008.db2.gz	WJUIWBMIBSQKFE-CTNGQTDRSA-N	1	0	506.653	5.088	10	10		KKCERO
COC(=O)[C@@H]1O[C@H]([N+](C)(C)CCC=C2c3ccccc3CCc3ccccc32)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	ZINC000504063856	717182887	/nfs/dbraw/zinc/18/28/87/717182887.db2.gz	XWMFQWVESUHSEF-JSMUHSIHSA-N	1	0	678.843	5.285	10	10		KKCERO
CN(C)c1ccc(CN(C(=S)Nc2cc(Cl)ccc2C(F)(F)F)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000020568200	553673973	/nfs/dbraw/zinc/67/39/73/553673973.db2.gz	CNQYXVCGLDBPSL-UHFFFAOYSA-N	1	0	527.100	6.933	10	10		KKCERO
CCCCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C=C\C1=[N+](CCCC)c2ccc3ccccc3c2C1(C)C	ZINC000084668723	562747697	/nfs/dbraw/zinc/74/76/97/562747697.db2.gz	BFAYBUSKUHTAIY-UHFFFAOYSA-N	1	0	541.803	10.207	10	10		KKCERO
CN1C=CC(=C2C3=NC(=C(c4cc[n+](C)cc4)c4ccc([nH]4)C(c4cc[n+](C)cc4)=C4C=CC(=N4)C(c4ccc(C(=O)[O-])cc4)=C4C=CC2=N4)C=C3)C=C1	ZINC000206035071	562876182	/nfs/dbraw/zinc/87/61/82/562876182.db2.gz	RGICONOJZXCLDW-UHFFFAOYSA-P	1	0	705.822	6.607	10	10		KKCERO
CN(C)c1ccc(CN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000020568201	553674008	/nfs/dbraw/zinc/67/40/08/553674008.db2.gz	BGIGNQMQRMIBHN-UHFFFAOYSA-N	1	0	527.100	6.933	10	10		KKCERO
COC(=O)[C@@H]1O[C@H]([N+](C)(C)CCC=C2c3ccccc3CCc3ccccc32)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	ZINC000504063842	717182856	/nfs/dbraw/zinc/18/28/56/717182856.db2.gz	XWMFQWVESUHSEF-DEVDXAACSA-N	1	0	678.843	5.285	10	10		KKCERO
CCC(=Cc1sc2ccc(SC)cc2[n+]1CCO)/C=C1/Sc2cc(OC)ccc2N1CCO	ZINC000003639750	552399598	/nfs/dbraw/zinc/39/95/98/552399598.db2.gz	PEUYOSLNTYGPDJ-UHFFFAOYSA-N	1	0	501.719	5.151	10	10		KKCERO
CCOC(=O)c1cc2c(cc1C(=O)OCC)[n+](CC)c(/C=C/C=C1N(CC)c3cc(Cl)c(Cl)cc3N1CC)n2CC	ZINC000100557199	554416654	/nfs/dbraw/zinc/41/66/54/554416654.db2.gz	XUNQXXOBKCAAJC-UHFFFAOYSA-N	1	0	600.567	6.850	10	10		KKCERO
COC(=O)[C@@H]1O[C@H]([N+](C)(C)CCC=C2c3ccccc3CCc3ccccc32)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	ZINC000504063860	717182909	/nfs/dbraw/zinc/18/29/09/717182909.db2.gz	XWMFQWVESUHSEF-LJVKMUTESA-N	1	0	678.843	5.285	10	10		KKCERO
CN(C)c1ccc(CN(C(=S)Nc2ccc(Cl)cc2C(F)(F)F)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000020568203	553673964	/nfs/dbraw/zinc/67/39/64/553673964.db2.gz	ANYRDCPQQPPTCU-UHFFFAOYSA-N	1	0	527.100	6.933	10	10		KKCERO
C[NH+]1CCN(CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(F)cc5)cc4)SC3=S)cc2)CC1	ZINC000205102633	562874944	/nfs/dbraw/zinc/87/49/44/562874944.db2.gz	UVNFVYYNRZPREN-HFTWOUSFSA-N	1	0	563.720	6.040	10	10		KKCERO