smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[nH]c(NCCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)n1	ZINC000218435708	241321888	/nfs/dbraw/zinc/32/18/88/241321888.db2.gz	ZENNWHUQOUIMPL-UHFFFAOYSA-N	2	2	330.396	0.179	50	70		ECIALP
C[N@H+](CC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccncc1	ZINC000217084235	241236750	/nfs/dbraw/zinc/23/67/50/241236750.db2.gz	UBVMFHAFEFDFQB-UHFFFAOYSA-N	2	2	345.491	0.752	50	70		ECIALP
C[N@@H+](CC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccncc1	ZINC000217084235	241236754	/nfs/dbraw/zinc/23/67/54/241236754.db2.gz	UBVMFHAFEFDFQB-UHFFFAOYSA-N	2	2	345.491	0.752	50	70		ECIALP
Cc1cc2c(cc1CN1CC[N@@H+](C3CC[NH2+]CC3)C[C@@H](O)C1)OCO2	ZINC000217572227	241261026	/nfs/dbraw/zinc/26/10/26/241261026.db2.gz	NESCAIMGIDMNTP-KRWDZBQOSA-N	2	2	347.459	0.954	50	70		ECIALP
Cc1cc2c(cc1CN1CC[N@H+](C3CC[NH2+]CC3)C[C@@H](O)C1)OCO2	ZINC000217572227	241261028	/nfs/dbraw/zinc/26/10/28/241261028.db2.gz	NESCAIMGIDMNTP-KRWDZBQOSA-N	2	2	347.459	0.954	50	70		ECIALP
Cc1c(NC(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H](O)C2)cnn1C	ZINC000217034634	241233871	/nfs/dbraw/zinc/23/38/71/241233871.db2.gz	JZLXNAHXRBRZFZ-HNNXBMFYSA-N	2	2	344.419	0.245	50	70		ECIALP
Cc1c(NC(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H](O)C2)cnn1C	ZINC000217034634	241233878	/nfs/dbraw/zinc/23/38/78/241233878.db2.gz	JZLXNAHXRBRZFZ-HNNXBMFYSA-N	2	2	344.419	0.245	50	70		ECIALP
Cc1noc2ncnc(N3CC[N@@H+](Cc4c[nH+]cn4C)C[C@@H](O)C3)c12	ZINC000216916881	241222417	/nfs/dbraw/zinc/22/24/17/241222417.db2.gz	XGQITRWAPYIRCZ-CYBMUJFWSA-N	2	2	343.391	0.343	50	70		ECIALP
Cc1noc2ncnc(N3CC[N@H+](Cc4c[nH+]cn4C)C[C@@H](O)C3)c12	ZINC000216916881	241222423	/nfs/dbraw/zinc/22/24/23/241222423.db2.gz	XGQITRWAPYIRCZ-CYBMUJFWSA-N	2	2	343.391	0.343	50	70		ECIALP
Cc1[nH+]cn(CCNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1C	ZINC000217336011	241243915	/nfs/dbraw/zinc/24/39/15/241243915.db2.gz	BJOGUAGINZRSKA-AWEZNQCLSA-N	2	2	342.465	0.125	50	70		ECIALP
Cc1[nH+]cn(CCNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1C	ZINC000217336011	241243919	/nfs/dbraw/zinc/24/39/19/241243919.db2.gz	BJOGUAGINZRSKA-AWEZNQCLSA-N	2	2	342.465	0.125	50	70		ECIALP
Cn1c(C[NH+]2CCC(O)(c3cccnc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000218276441	241309913	/nfs/dbraw/zinc/30/99/13/241309913.db2.gz	UDDPREAEOCLSDV-CTYIDZIISA-N	2	2	342.447	0.898	50	70		ECIALP
CCCOCC[NH+]1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1	ZINC000218244768	535234529	/nfs/dbraw/zinc/23/45/29/535234529.db2.gz	WLQJVEXKMPZJSL-UHFFFAOYSA-N	3	2	334.468	0.812	50	70		ECIALP
C[N@H+](CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)Cc1ccccn1	ZINC000218351412	241315209	/nfs/dbraw/zinc/31/52/09/241315209.db2.gz	IHHLBXFZNGOOIE-QXCFHYIPSA-N	2	2	344.459	0.881	50	70		ECIALP
C[N@@H+](CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)Cc1ccccn1	ZINC000218351412	241315215	/nfs/dbraw/zinc/31/52/15/241315215.db2.gz	IHHLBXFZNGOOIE-QXCFHYIPSA-N	2	2	344.459	0.881	50	70		ECIALP
CNc1cc[nH+]c(N2CC[N@H+](Cc3cccnc3N)C[C@@H](O)C2)n1	ZINC000216927485	241225821	/nfs/dbraw/zinc/22/58/21/241225821.db2.gz	FAFAZWZMOGCTAI-CYBMUJFWSA-N	2	2	329.408	0.179	50	70		ECIALP
CNc1cc[nH+]c(N2CC[N@@H+](Cc3cccnc3N)C[C@@H](O)C2)n1	ZINC000216927485	241225826	/nfs/dbraw/zinc/22/58/26/241225826.db2.gz	FAFAZWZMOGCTAI-CYBMUJFWSA-N	2	2	329.408	0.179	50	70		ECIALP
C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)NCc2cnc3cnccn23)CC1	ZINC000218622240	536340425	/nfs/dbraw/zinc/34/04/25/536340425.db2.gz	MHXLABLOLQHMMI-INIZCTEOSA-N	2	2	342.447	0.904	50	70		ECIALP
C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)NCc2cnc3cnccn23)CC1	ZINC000218622240	536340430	/nfs/dbraw/zinc/34/04/30/536340430.db2.gz	MHXLABLOLQHMMI-INIZCTEOSA-N	2	2	342.447	0.904	50	70		ECIALP
CC[NH+]1CCC(CNC(=O)c2[nH]nc(N)c2Cl)([NH+](C)C)CC1	ZINC000218240822	535451744	/nfs/dbraw/zinc/45/17/44/535451744.db2.gz	XIEMUKGYVQLMHF-UHFFFAOYSA-N	2	2	328.848	0.791	50	70		ECIALP
Nc1nc(N2CCN(c3cccnc3)CC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218759569	241344806	/nfs/dbraw/zinc/34/48/06/241344806.db2.gz	XZHSLPMALHQQDR-UHFFFAOYSA-N	2	2	325.420	0.985	50	70		ECIALP
CCn1c(C[NH+]2CCC3(CCC(=O)N3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000218505155	535981105	/nfs/dbraw/zinc/98/11/05/535981105.db2.gz	CASIKIBECCTOGU-BETUJISGSA-N	2	2	332.452	0.747	50	70		ECIALP
CNc1cc(C)[nH+]c(N2CC[N@H+](Cc3ccc(CO)o3)C[C@@H](O)C2)n1	ZINC000217880656	241280695	/nfs/dbraw/zinc/28/06/95/241280695.db2.gz	YYTXVVTZMOLVMY-CYBMUJFWSA-N	2	2	347.419	0.595	50	70		ECIALP
CNc1cc(C)[nH+]c(N2CC[N@@H+](Cc3ccc(CO)o3)C[C@@H](O)C2)n1	ZINC000217880656	241280698	/nfs/dbraw/zinc/28/06/98/241280698.db2.gz	YYTXVVTZMOLVMY-CYBMUJFWSA-N	2	2	347.419	0.595	50	70		ECIALP
C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@@H](O)C2)CC1)Cc1ccccn1	ZINC000216866239	241218226	/nfs/dbraw/zinc/21/82/26/241218226.db2.gz	ZFIBMEOALXJBPH-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@@H](O)C2)CC1)Cc1ccccn1	ZINC000216866239	241218229	/nfs/dbraw/zinc/21/82/29/241218229.db2.gz	ZFIBMEOALXJBPH-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1)Cc1ccccn1	ZINC000216866239	241218232	/nfs/dbraw/zinc/21/82/32/241218232.db2.gz	ZFIBMEOALXJBPH-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1)Cc1ccccn1	ZINC000216866239	241218236	/nfs/dbraw/zinc/21/82/36/241218236.db2.gz	ZFIBMEOALXJBPH-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
Cc1[nH+]cn(CCNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000217335925	241245001	/nfs/dbraw/zinc/24/50/01/241245001.db2.gz	BJOGUAGINZRSKA-CQSZACIVSA-N	2	2	342.465	0.125	50	70		ECIALP
Cc1[nH+]cn(CCNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1C	ZINC000217335925	241245004	/nfs/dbraw/zinc/24/50/04/241245004.db2.gz	BJOGUAGINZRSKA-CQSZACIVSA-N	2	2	342.465	0.125	50	70		ECIALP
C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@@H](O)C2)CC1)Cc1cccnc1	ZINC000216843519	241215158	/nfs/dbraw/zinc/21/51/58/241215158.db2.gz	GVJOOAGBQLLOAG-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[N@@H+](CC(=O)N1CCC([NH+]2CCC[C@@H](O)C2)CC1)Cc1cccnc1	ZINC000216843519	241215163	/nfs/dbraw/zinc/21/51/63/241215163.db2.gz	GVJOOAGBQLLOAG-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[NH+](CC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1)Cc1cccnc1	ZINC000216843519	241215169	/nfs/dbraw/zinc/21/51/69/241215169.db2.gz	GVJOOAGBQLLOAG-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
C[NH+](CC(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1)Cc1cccnc1	ZINC000216843519	241215174	/nfs/dbraw/zinc/21/51/74/241215174.db2.gz	GVJOOAGBQLLOAG-GOSISDBHSA-N	2	2	346.475	0.961	50	70		ECIALP
COCCn1ccnc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H](O)C1	ZINC000217215480	241240787	/nfs/dbraw/zinc/24/07/87/241240787.db2.gz	PWDJLWDFCBECJX-INIZCTEOSA-N	2	2	331.420	0.608	50	70		ECIALP
COCCn1ccnc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H](O)C1	ZINC000217215480	241240792	/nfs/dbraw/zinc/24/07/92/241240792.db2.gz	PWDJLWDFCBECJX-INIZCTEOSA-N	2	2	331.420	0.608	50	70		ECIALP
Cc1[nH+]cn(CC(=O)N[C@H]2C[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1C	ZINC000218648534	241336615	/nfs/dbraw/zinc/33/66/15/241336615.db2.gz	STENKYLGYXDFGS-OKILXGFUSA-N	2	2	345.451	0.752	50	70		ECIALP