smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](CC)C[N+](Cc1ccccc1)(C[C@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637631	717121383	/nfs/dbraw/zinc/12/13/83/717121383.db2.gz	CMRVFTBIJSVFEL-OCBJUFRSSA-N	1	0	444.812	9.653	10	5		IKBERO
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@@H]1CO1	ZINC000033637832	717121566	/nfs/dbraw/zinc/12/15/66/717121566.db2.gz	GJWGWFGHNDBFIY-RUZDIDTESA-O	1	0	425.722	6.085	10	5		IKBERO
CC(C)CCCCCCCCCCCCCCC1=NCC[N@+]1(CCO)Cc1ccccc1	ZINC000256079876	717175655	/nfs/dbraw/zinc/17/56/55/717175655.db2.gz	UAERNUULQZYCNM-HKBQPEDESA-N	1	0	443.740	7.525	10	5		IKBERO
CC(C)CCCCCCCCCCCCCCC1=NCC[N@@+]1(CCO)Cc1ccccc1	ZINC000256079877	717175754	/nfs/dbraw/zinc/17/57/54/717175754.db2.gz	UAERNUULQZYCNM-WJOKGBTCSA-N	1	0	443.740	7.525	10	5		IKBERO
CCCC[C@@H](CC)C[N+](Cc1ccccc1)(C[C@H](CC)CCCC)C[C@H](CC)CCCC	ZINC000263583860	717179815	/nfs/dbraw/zinc/17/98/15/717179815.db2.gz	CMRVFTBIJSVFEL-IDZRBWSNSA-N	1	0	444.812	9.653	10	5		IKBERO
CCCC[NH2+]CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc21	ZINC000009293928	562968990	/nfs/dbraw/zinc/96/89/90/562968990.db2.gz	FYHCHSNOXWVJJT-NRFANRHFSA-N	1	0	444.324	7.132	10	5	world	IKBERO
COc1ccc(/C(=C(/c2ccccc2)[N+](=O)[O-])c2ccc(OCC[NH+]3CCCC3)cc2)cc1	ZINC000011681622	562979047	/nfs/dbraw/zinc/97/90/47/562979047.db2.gz	MFKMXUFMHOCZHP-CYYJNZCTSA-N	1	0	444.531	5.363	10	5	in-man	IKBERO
CC[NH+](CC)CCNc1nc(/C=C\c2ccc(Cl)cc2)nc2cc3ccccc3cc21	ZINC000033246149	520689397	/nfs/dbraw/zinc/68/93/97/520689397.db2.gz	MSOORHLGOVMZQM-KAMYIIQDSA-N	1	0	430.983	6.361	10	5		IKBERO
CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1	ZINC000031351704	717119676	/nfs/dbraw/zinc/11/96/76/717119676.db2.gz	UAERNUULQZYCNM-UHFFFAOYSA-N	1	0	443.740	7.525	10	5		IKBERO
CCCC[C@H](CC)C[N+](Cc1ccccc1)(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637630	717121564	/nfs/dbraw/zinc/12/15/64/717121564.db2.gz	CMRVFTBIJSVFEL-DTXPUJKBSA-N	1	0	444.812	9.653	10	5		IKBERO
CCCC[NH2+]CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc21	ZINC000001545566	562922739	/nfs/dbraw/zinc/92/27/39/562922739.db2.gz	FYHCHSNOXWVJJT-OAQYLSRUSA-N	1	0	444.324	7.132	10	5	world	IKBERO
Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C	ZINC000002039644	562925622	/nfs/dbraw/zinc/92/56/22/562925622.db2.gz	ULBZAXDVMDGCJQ-UHFFFAOYSA-N	1	0	426.665	6.381	10	5	in-vitro	IKBERO
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@H]1CO1	ZINC000033637834	717121413	/nfs/dbraw/zinc/12/14/13/717121413.db2.gz	GJWGWFGHNDBFIY-VWLOTQADSA-O	1	0	425.722	6.085	10	5		IKBERO
[NH2+]=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	ZINC000027638553	563045013	/nfs/dbraw/zinc/04/50/13/563045013.db2.gz	AFZIPZIQIQTNQE-UHFFFAOYSA-N	1	0	431.326	6.660	10	5		IKBERO
CCCC[C@@H](CC)C[N+](Cc1ccccc1)(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC	ZINC000033637628	717121356	/nfs/dbraw/zinc/12/13/56/717121356.db2.gz	CMRVFTBIJSVFEL-OIFRRMEBSA-N	1	0	444.812	9.653	10	5		IKBERO
OC(c1ccccc1)(c1ccccc1)[N+]12CCC(CCOCc3ccccc3)(CC1)CC2	ZINC000140481116	569259089	/nfs/dbraw/zinc/25/90/89/569259089.db2.gz	LRGFVCAKLBNTFF-UHFFFAOYSA-N	1	0	428.596	5.488	10	5		IKBERO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(-c3ccccc3Br)cc1)=CC2	ZINC000095564651	563183177	/nfs/dbraw/zinc/18/31/77/563183177.db2.gz	BDKXRZBYASMPGB-GMAHTHKFSA-N	1	0	425.434	6.685	10	5		IKBERO