smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899995	721444856	/nfs/dbraw/zinc/44/48/56/721444856.db2.gz	ZXWUMOQYDKEFPK-NQIIRXRSSA-N	1	1	421.973	2.024	20	50		HEGDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898621	721431917	/nfs/dbraw/zinc/43/19/17/721431917.db2.gz	WFIGUNJSXPVFOX-DYESRHJHSA-N	1	1	421.973	2.024	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164974204	722151285	/nfs/dbraw/zinc/15/12/85/722151285.db2.gz	CNNDWILSHIVDOK-HKUYNNGSSA-N	1	1	415.925	2.381	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164974217	722151238	/nfs/dbraw/zinc/15/12/38/722151238.db2.gz	CNNDWILSHIVDOK-PKOBYXMFSA-N	1	1	415.925	2.381	20	50		HEGDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639369	719177659	/nfs/dbraw/zinc/17/76/59/719177659.db2.gz	SCDYJBKJQZWKKM-VXGBXAGGSA-N	1	1	402.326	2.392	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974265	722138032	/nfs/dbraw/zinc/13/80/32/722138032.db2.gz	CYJLUHSTZQMXJR-PKOBYXMFSA-N	1	1	415.925	2.381	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879470	721136530	/nfs/dbraw/zinc/13/65/30/721136530.db2.gz	SITGJHZBAYODBK-SJORKVTESA-N	1	1	401.898	2.134	20	50		HEGDMO
C[C@@H]1CN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)[C@@H](C)C[N@H+]1C	ZINC001164639365	719178340	/nfs/dbraw/zinc/17/83/40/719178340.db2.gz	SCDYJBKJQZWKKM-NEPJUHHUSA-N	1	1	402.326	2.392	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879948	721173687	/nfs/dbraw/zinc/17/36/87/721173687.db2.gz	VNBJEQWMKSDRSP-QZTJIDSGSA-N	1	1	401.898	2.134	20	50		HEGDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898625	721431723	/nfs/dbraw/zinc/43/17/23/721431723.db2.gz	WFIGUNJSXPVFOX-LAUBAEHRSA-N	1	1	421.973	2.024	20	50		HEGDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899994	721445256	/nfs/dbraw/zinc/44/52/56/721445256.db2.gz	ZXWUMOQYDKEFPK-GHTZIAJQSA-N	1	1	421.973	2.024	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974258	722138403	/nfs/dbraw/zinc/13/84/03/722138403.db2.gz	CYJLUHSTZQMXJR-HKUYNNGSSA-N	1	1	415.925	2.381	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974261	722138249	/nfs/dbraw/zinc/13/82/49/722138249.db2.gz	CYJLUHSTZQMXJR-IEBWSBKVSA-N	1	1	415.925	2.381	20	50		HEGDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898630	721431389	/nfs/dbraw/zinc/43/13/89/721431389.db2.gz	WFIGUNJSXPVFOX-UWJYYQICSA-N	1	1	421.973	2.024	20	50		HEGDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639368	719178074	/nfs/dbraw/zinc/17/80/74/719178074.db2.gz	SCDYJBKJQZWKKM-RYUDHWBXSA-N	1	1	402.326	2.392	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879466	721136650	/nfs/dbraw/zinc/13/66/50/721136650.db2.gz	SITGJHZBAYODBK-IAGOWNOFSA-N	1	1	401.898	2.134	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164974207	722151498	/nfs/dbraw/zinc/15/14/98/722151498.db2.gz	CNNDWILSHIVDOK-IEBWSBKVSA-N	1	1	415.925	2.381	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879953	721172787	/nfs/dbraw/zinc/17/27/87/721172787.db2.gz	VNBJEQWMKSDRSP-ZWKOTPCHSA-N	1	1	401.898	2.134	20	50		HEGDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(NC(=O)CCl)cn1)CCC2	ZINC001164816323	720242436	/nfs/dbraw/zinc/24/24/36/720242436.db2.gz	IDOSZBXJOMLBFU-UHFFFAOYSA-N	1	1	418.929	2.066	20	50		HEGDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899999	721445169	/nfs/dbraw/zinc/44/51/69/721445169.db2.gz	ZXWUMOQYDKEFPK-WIYYLYMNSA-N	1	1	421.973	2.024	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879946	721173632	/nfs/dbraw/zinc/17/36/32/721173632.db2.gz	VNBJEQWMKSDRSP-MSOLQXFVSA-N	1	1	401.898	2.134	20	50		HEGDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639366	719178550	/nfs/dbraw/zinc/17/85/50/719178550.db2.gz	SCDYJBKJQZWKKM-NWDGAFQWSA-N	1	1	402.326	2.392	20	50		HEGDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1NC(=O)CCl)CCC2	ZINC001164812314	720235230	/nfs/dbraw/zinc/23/52/30/720235230.db2.gz	FBUQBHUAMIKLJJ-UHFFFAOYSA-N	1	1	418.929	2.066	20	50		HEGDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899996	721444746	/nfs/dbraw/zinc/44/47/46/721444746.db2.gz	ZXWUMOQYDKEFPK-RXVVDRJESA-N	1	1	421.973	2.024	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879464	721136266	/nfs/dbraw/zinc/13/62/66/721136266.db2.gz	SITGJHZBAYODBK-DLBZAZTESA-N	1	1	401.898	2.134	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974263	722138283	/nfs/dbraw/zinc/13/82/83/722138283.db2.gz	CYJLUHSTZQMXJR-MJGOQNOKSA-N	1	1	415.925	2.381	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879951	721173911	/nfs/dbraw/zinc/17/39/11/721173911.db2.gz	VNBJEQWMKSDRSP-ROUUACIJSA-N	1	1	401.898	2.134	20	50		HEGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879468	721137094	/nfs/dbraw/zinc/13/70/94/721137094.db2.gz	SITGJHZBAYODBK-IRXDYDNUSA-N	1	1	401.898	2.134	20	50		HEGDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898628	721431757	/nfs/dbraw/zinc/43/17/57/721431757.db2.gz	WFIGUNJSXPVFOX-UTKZUKDTSA-N	1	1	421.973	2.024	20	50		HEGDMO
O=C(CCl)Nc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164974211	722150855	/nfs/dbraw/zinc/15/08/55/722150855.db2.gz	CNNDWILSHIVDOK-MJGOQNOKSA-N	1	1	415.925	2.381	20	50		HEGDMO