smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccn2cc(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)[nH+]c2c1	ZINC000218589890	241332996	/nfs/dbraw/zinc/33/29/96/241332996.db2.gz	RTMLEWZMYGXAOP-MRXNPFEDSA-N	2	2	343.475	1.675	50	70		EDIALP
Nc1nc(N2CCC(CN3CCCC3=O)CC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218234533	241308309	/nfs/dbraw/zinc/30/83/09/241308309.db2.gz	JQNOGTSBGNWVNQ-UHFFFAOYSA-N	2	2	344.463	1.102	50	70		EDIALP
Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3[nH]cc[nH+]3)CC2)c1	ZINC000217754239	241273502	/nfs/dbraw/zinc/27/35/02/241273502.db2.gz	OWAYTMSKRMKAFD-UHFFFAOYSA-N	2	2	341.459	1.889	50	70		EDIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[N@@H+]1CCOc3ccccc3C1)C2	ZINC000217204372	241242873	/nfs/dbraw/zinc/24/28/73/241242873.db2.gz	NXCKGEPBDFUHOC-YRWFTTLQSA-N	2	2	343.471	1.680	50	70		EDIALP
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C[N@H+]1CCOc3ccccc3C1)C2	ZINC000217204372	241242878	/nfs/dbraw/zinc/24/28/78/241242878.db2.gz	NXCKGEPBDFUHOC-YRWFTTLQSA-N	2	2	343.471	1.680	50	70		EDIALP
Nc1nc(NCc2noc(C3CCCC3)n2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218124135	241299596	/nfs/dbraw/zinc/29/95/96/241299596.db2.gz	TVTGWTRCVSHITR-UHFFFAOYSA-N	2	2	329.408	1.916	50	70		EDIALP
C[NH+]1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218279723	241310497	/nfs/dbraw/zinc/31/04/97/241310497.db2.gz	BTWMSGIVCAPXSJ-UHFFFAOYSA-N	2	2	335.448	1.469	50	70		EDIALP
Nc1nc(N2CC[NH+](Cc3cccs3)CC2)cc(C2CC([NH3+])C2)[nH+]1	ZINC000218105668	241298161	/nfs/dbraw/zinc/29/81/61/241298161.db2.gz	UPXIAPKFZQIWFO-UHFFFAOYSA-N	3	2	344.488	1.647	50	70		EDIALP
C[NH+](C)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1	ZINC000217044894	536137920	/nfs/dbraw/zinc/13/79/20/536137920.db2.gz	HKUYFISTPBWVGF-IBGZPJMESA-N	2	2	347.503	1.924	50	70		EDIALP
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1	ZINC000218263145	241311638	/nfs/dbraw/zinc/31/16/38/241311638.db2.gz	LLIMBJSOTCTQME-YYIAUSFCSA-N	2	2	326.400	1.320	50	70		EDIALP
OCc1cc2n(n1)CCC[N@@H+](C1CC[NH+](Cc3ccccn3)CC1)C2	ZINC000217152415	241238744	/nfs/dbraw/zinc/23/87/44/241238744.db2.gz	BPOYBUPJHJGLRG-UHFFFAOYSA-N	2	2	341.459	1.641	50	70		EDIALP
OCc1cc2n(n1)CCC[N@H+](C1CC[NH+](Cc3ccccn3)CC1)C2	ZINC000217152415	241238751	/nfs/dbraw/zinc/23/87/51/241238751.db2.gz	BPOYBUPJHJGLRG-UHFFFAOYSA-N	2	2	341.459	1.641	50	70		EDIALP
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2	ZINC000217475830	241252736	/nfs/dbraw/zinc/25/27/36/241252736.db2.gz	BZTIQVKOXJXYNA-RUYXUALKSA-N	2	2	346.471	1.600	50	70		EDIALP
O[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2	ZINC000217475830	241252739	/nfs/dbraw/zinc/25/27/39/241252739.db2.gz	BZTIQVKOXJXYNA-RUYXUALKSA-N	2	2	346.471	1.600	50	70		EDIALP
C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1nccn1C1CC1)C2	ZINC000218328539	241316257	/nfs/dbraw/zinc/31/62/57/241316257.db2.gz	DSNWZESKRJFQKV-QGZVFWFLSA-N	2	2	344.463	1.415	50	70		EDIALP
C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1nccn1C1CC1)C2	ZINC000218328539	241316264	/nfs/dbraw/zinc/31/62/64/241316264.db2.gz	DSNWZESKRJFQKV-QGZVFWFLSA-N	2	2	344.463	1.415	50	70		EDIALP
OCc1cc2n(n1)CCC[N@@H+](C1CC[NH+](Cc3ccco3)CC1)C2	ZINC000216957430	241228077	/nfs/dbraw/zinc/22/80/77/241228077.db2.gz	FHINTOKVFZWAQW-UHFFFAOYSA-N	2	2	330.432	1.839	50	70		EDIALP
OCc1cc2n(n1)CCC[N@H+](C1CC[NH+](Cc3ccco3)CC1)C2	ZINC000216957430	241228080	/nfs/dbraw/zinc/22/80/80/241228080.db2.gz	FHINTOKVFZWAQW-UHFFFAOYSA-N	2	2	330.432	1.839	50	70		EDIALP
C[NH+](C)Cc1ccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cc1	ZINC000218105152	536011771	/nfs/dbraw/zinc/01/17/71/536011771.db2.gz	SIYJSLNKPVEZHD-UHFFFAOYSA-N	3	2	326.448	1.937	50	70		EDIALP
C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000160708164	441912212	/nfs/dbraw/zinc/91/22/12/441912212.db2.gz	WCGVJUVBPOECAZ-CVEARBPZSA-N	2	2	349.385	1.906	50	70		EDIALP
C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000160708164	441912216	/nfs/dbraw/zinc/91/22/16/441912216.db2.gz	WCGVJUVBPOECAZ-CVEARBPZSA-N	2	2	349.385	1.906	50	70		EDIALP
Cc1ccn2cc(CNC(=O)CC[C@H](C)[NH+]3CCN(C)CC3)[nH+]c2c1	ZINC000218589954	241333321	/nfs/dbraw/zinc/33/33/21/241333321.db2.gz	RTMLEWZMYGXAOP-INIZCTEOSA-N	2	2	343.475	1.675	50	70		EDIALP
Cc1ccc2[nH]c(CC[N@@H+]3CCn4nc([C@H](O)CO)cc4C3)[nH+]c2c1	ZINC000217494397	241253258	/nfs/dbraw/zinc/25/32/58/241253258.db2.gz	FRJIUOYFLGFJEE-QGZVFWFLSA-N	2	2	341.415	1.152	50	70		EDIALP
Cc1ccc2[nH]c(CC[N@H+]3CCn4nc([C@H](O)CO)cc4C3)[nH+]c2c1	ZINC000217494397	241253260	/nfs/dbraw/zinc/25/32/60/241253260.db2.gz	FRJIUOYFLGFJEE-QGZVFWFLSA-N	2	2	341.415	1.152	50	70		EDIALP
CCc1nccc(C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)n1	ZINC000218520802	241327787	/nfs/dbraw/zinc/32/77/87/241327787.db2.gz	SSWHVYDUXPKAEM-QGZVFWFLSA-N	2	2	344.463	1.236	50	70		EDIALP
CCc1nccc(C[N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)n1	ZINC000218520802	241327793	/nfs/dbraw/zinc/32/77/93/241327793.db2.gz	SSWHVYDUXPKAEM-QGZVFWFLSA-N	2	2	344.463	1.236	50	70		EDIALP
C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C[NH+]1CCCC1	ZINC000159399895	533924964	/nfs/dbraw/zinc/92/49/64/533924964.db2.gz	XWXXNOBHLSKYSZ-KRWDZBQOSA-N	2	2	345.491	1.641	50	70		EDIALP
C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000160708039	441912323	/nfs/dbraw/zinc/91/23/23/441912323.db2.gz	WCGVJUVBPOECAZ-HOTGVXAUSA-N	2	2	349.385	1.906	50	70		EDIALP
C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)c(F)c1	ZINC000160708039	441912327	/nfs/dbraw/zinc/91/23/27/441912327.db2.gz	WCGVJUVBPOECAZ-HOTGVXAUSA-N	2	2	349.385	1.906	50	70		EDIALP