smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899995	721444858	/nfs/dbraw/zinc/44/48/58/721444858.db2.gz	ZXWUMOQYDKEFPK-NQIIRXRSSA-N	0	1	421.973	2.024	20	50		HEGDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898621	721431919	/nfs/dbraw/zinc/43/19/19/721431919.db2.gz	WFIGUNJSXPVFOX-DYESRHJHSA-N	0	1	421.973	2.024	20	50		HEGDMN
C[C@@H]1CN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)[C@H](C)CN1C	ZINC001164639369	719177668	/nfs/dbraw/zinc/17/76/68/719177668.db2.gz	SCDYJBKJQZWKKM-VXGBXAGGSA-N	0	1	402.326	2.392	20	50		HEGDMN
C[C@@H]1CN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)[C@@H](C)CN1C	ZINC001164639365	719178342	/nfs/dbraw/zinc/17/83/42/719178342.db2.gz	SCDYJBKJQZWKKM-NEPJUHHUSA-N	0	1	402.326	2.392	20	50		HEGDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898625	721431726	/nfs/dbraw/zinc/43/17/26/721431726.db2.gz	WFIGUNJSXPVFOX-LAUBAEHRSA-N	0	1	421.973	2.024	20	50		HEGDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899994	721445258	/nfs/dbraw/zinc/44/52/58/721445258.db2.gz	ZXWUMOQYDKEFPK-GHTZIAJQSA-N	0	1	421.973	2.024	20	50		HEGDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898630	721431392	/nfs/dbraw/zinc/43/13/92/721431392.db2.gz	WFIGUNJSXPVFOX-UWJYYQICSA-N	0	1	421.973	2.024	20	50		HEGDMN
C[C@H]1CN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)[C@@H](C)CN1C	ZINC001164639368	719178077	/nfs/dbraw/zinc/17/80/77/719178077.db2.gz	SCDYJBKJQZWKKM-RYUDHWBXSA-N	0	1	402.326	2.392	20	50		HEGDMN
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000814694570	717191162	/nfs/dbraw/zinc/19/11/62/717191162.db2.gz	PXGSNWDGYXBUHV-UHFFFAOYSA-O	0	1	403.528	2.342	20	50		HEGDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899999	721445171	/nfs/dbraw/zinc/44/51/71/721445171.db2.gz	ZXWUMOQYDKEFPK-WIYYLYMNSA-N	0	1	421.973	2.024	20	50		HEGDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639366	719178552	/nfs/dbraw/zinc/17/85/52/719178552.db2.gz	SCDYJBKJQZWKKM-NWDGAFQWSA-N	0	1	402.326	2.392	20	50		HEGDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899996	721444748	/nfs/dbraw/zinc/44/47/48/721444748.db2.gz	ZXWUMOQYDKEFPK-RXVVDRJESA-N	0	1	421.973	2.024	20	50		HEGDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898628	721431759	/nfs/dbraw/zinc/43/17/59/721431759.db2.gz	WFIGUNJSXPVFOX-UTKZUKDTSA-N	0	1	421.973	2.024	20	50		HEGDMN