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+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2NC(=O)CCl)CC1	ZINC001164830853	720336145	/nfs/dbraw/zinc/33/61/45/720336145.db2.gz	QDXNBZVTRVRUTR-ZWKOTPCHSA-N	1	0	419.957	2.170	20	50		HEGDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899995	721444855	/nfs/dbraw/zinc/44/48/55/721444855.db2.gz	ZXWUMOQYDKEFPK-NQIIRXRSSA-N	1	0	421.973	2.024	20	50		HEGDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898621	721431916	/nfs/dbraw/zinc/43/19/16/721431916.db2.gz	WFIGUNJSXPVFOX-DYESRHJHSA-N	1	0	421.973	2.024	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164974204	722151281	/nfs/dbraw/zinc/15/12/81/722151281.db2.gz	CNNDWILSHIVDOK-HKUYNNGSSA-N	1	0	415.925	2.381	20	50		HEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1	ZINC000916270420	717193323	/nfs/dbraw/zinc/19/33/23/717193323.db2.gz	FIRJCPLKRLWFJK-UHFFFAOYSA-O	1	0	409.576	2.234	20	50		HEGDRO
C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)C1	ZINC001165035666	721888756	/nfs/dbraw/zinc/88/87/56/721888756.db2.gz	NNPWAOJQXYNEKN-GFCCVEGCSA-N	1	0	402.326	2.394	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164974217	722151237	/nfs/dbraw/zinc/15/12/37/722151237.db2.gz	CNNDWILSHIVDOK-PKOBYXMFSA-N	1	0	415.925	2.381	20	50		HEGDRO
C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639369	719177649	/nfs/dbraw/zinc/17/76/49/719177649.db2.gz	SCDYJBKJQZWKKM-VXGBXAGGSA-N	1	0	402.326	2.392	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2NC(=O)CCl)CC1	ZINC001164830847	720336037	/nfs/dbraw/zinc/33/60/37/720336037.db2.gz	QDXNBZVTRVRUTR-MSOLQXFVSA-N	1	0	419.957	2.170	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(NC(=O)CCl)cn2)CC1	ZINC001164828407	720348868	/nfs/dbraw/zinc/34/88/68/720348868.db2.gz	OUIKMDUSVXVZOP-MSOLQXFVSA-N	1	0	419.957	2.170	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974265	722138030	/nfs/dbraw/zinc/13/80/30/722138030.db2.gz	CYJLUHSTZQMXJR-PKOBYXMFSA-N	1	0	415.925	2.381	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879470	721136528	/nfs/dbraw/zinc/13/65/28/721136528.db2.gz	SITGJHZBAYODBK-SJORKVTESA-N	1	0	401.898	2.134	20	50		HEGDRO
C[C@@H]1CN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)[C@@H](C)C[N@@H+]1C	ZINC001164639365	719178337	/nfs/dbraw/zinc/17/83/37/719178337.db2.gz	SCDYJBKJQZWKKM-NEPJUHHUSA-N	1	0	402.326	2.392	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879948	721173680	/nfs/dbraw/zinc/17/36/80/721173680.db2.gz	VNBJEQWMKSDRSP-QZTJIDSGSA-N	1	0	401.898	2.134	20	50		HEGDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898625	721431720	/nfs/dbraw/zinc/43/17/20/721431720.db2.gz	WFIGUNJSXPVFOX-LAUBAEHRSA-N	1	0	421.973	2.024	20	50		HEGDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899994	721445253	/nfs/dbraw/zinc/44/52/53/721445253.db2.gz	ZXWUMOQYDKEFPK-GHTZIAJQSA-N	1	0	421.973	2.024	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974258	722138402	/nfs/dbraw/zinc/13/84/02/722138402.db2.gz	CYJLUHSTZQMXJR-HKUYNNGSSA-N	1	0	415.925	2.381	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164974261	722138248	/nfs/dbraw/zinc/13/82/48/722138248.db2.gz	CYJLUHSTZQMXJR-IEBWSBKVSA-N	1	0	415.925	2.381	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(NC(=O)CCl)cn2)CC1	ZINC001164828410	720348955	/nfs/dbraw/zinc/34/89/55/720348955.db2.gz	OUIKMDUSVXVZOP-ZWKOTPCHSA-N	1	0	419.957	2.170	20	50		HEGDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898630	721431386	/nfs/dbraw/zinc/43/13/86/721431386.db2.gz	WFIGUNJSXPVFOX-UWJYYQICSA-N	1	0	421.973	2.024	20	50		HEGDRO
C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639368	719178068	/nfs/dbraw/zinc/17/80/68/719178068.db2.gz	SCDYJBKJQZWKKM-RYUDHWBXSA-N	1	0	402.326	2.392	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879466	721136644	/nfs/dbraw/zinc/13/66/44/721136644.db2.gz	SITGJHZBAYODBK-IAGOWNOFSA-N	1	0	401.898	2.134	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1	ZINC001164974207	722151495	/nfs/dbraw/zinc/15/14/95/722151495.db2.gz	CNNDWILSHIVDOK-IEBWSBKVSA-N	1	0	415.925	2.381	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(NC(=O)CCl)cn2)CC1	ZINC001164828408	720348706	/nfs/dbraw/zinc/34/87/06/720348706.db2.gz	OUIKMDUSVXVZOP-QZTJIDSGSA-N	1	0	419.957	2.170	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879953	721172784	/nfs/dbraw/zinc/17/27/84/721172784.db2.gz	VNBJEQWMKSDRSP-ZWKOTPCHSA-N	1	0	401.898	2.134	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2NC(=O)CCl)CC1	ZINC001164830851	720336206	/nfs/dbraw/zinc/33/62/06/720336206.db2.gz	QDXNBZVTRVRUTR-ROUUACIJSA-N	1	0	419.957	2.170	20	50		HEGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1NS(=O)(=O)c1ccc(C)cc1	ZINC000814694570	717191159	/nfs/dbraw/zinc/19/11/59/717191159.db2.gz	PXGSNWDGYXBUHV-UHFFFAOYSA-O	1	0	403.528	2.342	20	50		HEGDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(NC(=O)CCl)cn1)CCC2	ZINC001164816323	720242422	/nfs/dbraw/zinc/24/24/22/720242422.db2.gz	IDOSZBXJOMLBFU-UHFFFAOYSA-N	1	0	418.929	2.066	20	50		HEGDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899999	721445167	/nfs/dbraw/zinc/44/51/67/721445167.db2.gz	ZXWUMOQYDKEFPK-WIYYLYMNSA-N	1	0	421.973	2.024	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1	ZINC001164879946	721173627	/nfs/dbraw/zinc/17/36/27/721173627.db2.gz	VNBJEQWMKSDRSP-MSOLQXFVSA-N	1	0	401.898	2.134	20	50		HEGDRO
C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)C1	ZINC001165035667	721888886	/nfs/dbraw/zinc/88/88/86/721888886.db2.gz	NNPWAOJQXYNEKN-LBPRGKRZSA-N	1	0	402.326	2.394	20	50		HEGDRO
C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)nc2c1CN(C(=O)OCCCl)CC2	ZINC001164639366	719178548	/nfs/dbraw/zinc/17/85/48/719178548.db2.gz	SCDYJBKJQZWKKM-NWDGAFQWSA-N	1	0	402.326	2.392	20	50		HEGDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1NC(=O)CCl)CCC2	ZINC001164812314	720235226	/nfs/dbraw/zinc/23/52/26/720235226.db2.gz	FBUQBHUAMIKLJJ-UHFFFAOYSA-N	1	0	418.929	2.066	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(NC(=O)CCl)cn2)CC1	ZINC001164828409	720348986	/nfs/dbraw/zinc/34/89/86/720348986.db2.gz	OUIKMDUSVXVZOP-ROUUACIJSA-N	1	0	419.957	2.170	20	50		HEGDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(NC(=O)CCl)cn4)C3)O2)CC1	ZINC001164899996	721444745	/nfs/dbraw/zinc/44/47/45/721444745.db2.gz	ZXWUMOQYDKEFPK-RXVVDRJESA-N	1	0	421.973	2.024	20	50		HEGDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2NC(=O)CCl)CC1	ZINC001164830849	720335970	/nfs/dbraw/zinc/33/59/70/720335970.db2.gz	QDXNBZVTRVRUTR-QZTJIDSGSA-N	1	0	419.957	2.170	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879464	721136257	/nfs/dbraw/zinc/13/62/57/721136257.db2.gz	SITGJHZBAYODBK-DLBZAZTESA-N	1	0	401.898	2.134	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164974263	722138282	/nfs/dbraw/zinc/13/82/82/722138282.db2.gz	CYJLUHSTZQMXJR-MJGOQNOKSA-N	1	0	415.925	2.381	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1	ZINC001164879951	721173901	/nfs/dbraw/zinc/17/39/01/721173901.db2.gz	VNBJEQWMKSDRSP-ROUUACIJSA-N	1	0	401.898	2.134	20	50		HEGDRO
O=C(CCl)Nc1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879468	721137090	/nfs/dbraw/zinc/13/70/90/721137090.db2.gz	SITGJHZBAYODBK-IRXDYDNUSA-N	1	0	401.898	2.134	20	50		HEGDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncccc4NC(=O)CCl)C3)O2)CC1	ZINC001164898628	721431754	/nfs/dbraw/zinc/43/17/54/721431754.db2.gz	WFIGUNJSXPVFOX-UTKZUKDTSA-N	1	0	421.973	2.024	20	50		HEGDRO
O=C(CCl)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1	ZINC001164974211	722150851	/nfs/dbraw/zinc/15/08/51/722150851.db2.gz	CNNDWILSHIVDOK-MJGOQNOKSA-N	1	0	415.925	2.381	20	50		HEGDRO