smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sc(N5CCOCC5)nc4[N+](=O)[O-])c3nc12	ZINC000005845781	561699439	/nfs/dbraw/zinc/69/94/39/561699439.db2.gz	HAAPDSKVVIYMKM-UHFFFAOYSA-O	1	3	550.665	3.486	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCOCCC[NH2+]CC3=N[C@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000028097248	561900981	/nfs/dbraw/zinc/90/09/81/561900981.db2.gz	WJEGYTZQIUBHDB-DLFZDVPBSA-N	1	3	582.757	3.489	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCOCCC[NH2+]CC3=N[C@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000028097255	561901087	/nfs/dbraw/zinc/90/10/87/561901087.db2.gz	WJEGYTZQIUBHDB-JTSJOTPCSA-N	1	3	582.757	3.489	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCC[NH2+]CC3=N[C@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000028114698	561903665	/nfs/dbraw/zinc/90/36/65/561903665.db2.gz	MLUDXCDFTPMOLQ-VAVYLYDRSA-N	1	3	538.704	3.472	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCC[NH2+]CC3=N[C@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000028114707	561903685	/nfs/dbraw/zinc/90/36/85/561903685.db2.gz	MLUDXCDFTPMOLQ-ABYGYWHVSA-N	1	3	538.704	3.472	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCOCCC[NH2+]CC3=N[C@@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000038152852	562067379	/nfs/dbraw/zinc/06/73/79/562067379.db2.gz	WJEGYTZQIUBHDB-JOMNFKBKSA-N	1	3	582.757	3.489	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCOCCC[NH2+]CC3=N[C@@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000038152855	562067428	/nfs/dbraw/zinc/06/74/28/562067428.db2.gz	WJEGYTZQIUBHDB-DHIFEGFHSA-N	1	3	582.757	3.489	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCC[NH2+]CC3=N[C@@H]4[C@@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000038152884	562067410	/nfs/dbraw/zinc/06/74/10/562067410.db2.gz	MLUDXCDFTPMOLQ-IRPSRAIASA-N	1	3	538.704	3.472	1	10		KGCFHO
CN1c2cccnc2N(C)c2nc(CNCCCC[NH2+]CC3=N[C@@H]4[C@H](C=C3)N(C)c3cccnc3N4C)ccc21	ZINC000038152887	562067373	/nfs/dbraw/zinc/06/73/73/562067373.db2.gz	MLUDXCDFTPMOLQ-SVEHJYQDSA-N	1	3	538.704	3.472	1	10		KGCFHO
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCN[C@@H](c2ccc(N3CCC4(CC[N@@H+](C)C4)CC3)cc2)C1	ZINC000113088763	562826122	/nfs/dbraw/zinc/82/61/22/562826122.db2.gz	UMUHEQPWDXIRFB-AREMUKBSSA-N	1	3	517.653	3.054	1	10		KGCFHO
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCN[C@@H](c2ccc(N3CCC4(CC[N@H+](C)C4)CC3)cc2)C1	ZINC000113088763	562826121	/nfs/dbraw/zinc/82/61/21/562826121.db2.gz	UMUHEQPWDXIRFB-AREMUKBSSA-N	1	3	517.653	3.054	1	10		KGCFHO
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCN[C@@H](c2ccc(N3CCC([NH+]4CCCC4)CC3)cc2)C1	ZINC000113090932	562826228	/nfs/dbraw/zinc/82/62/28/562826228.db2.gz	GSTNOAPVMRUPLY-HHHXNRCGSA-N	1	3	517.653	3.197	1	10		KGCFHO