smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(Br)cc(Br)cc1CN1CC[NH2+]CC[NH2+]CC1	ZINC000904396996	659399879	/nfs/dbraw/zinc/39/98/79/659399879.db2.gz	VBKWYEQXQAWEPN-UHFFFAOYSA-N	2	2	393.123	1.912	20	10		GDCDLP
O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)N1CC[NH2+]CC1	ZINC000843047091	655387352	/nfs/dbraw/zinc/38/73/52/655387352.db2.gz	NUHNHJLEGIYLFQ-CQSZACIVSA-N	2	2	382.302	1.799	20	10		GDCDLP
O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)N1CC[NH2+]CC1	ZINC000843047091	655387354	/nfs/dbraw/zinc/38/73/54/655387354.db2.gz	NUHNHJLEGIYLFQ-CQSZACIVSA-N	2	2	382.302	1.799	20	10		GDCDLP
Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1	ZINC000825267525	655486963	/nfs/dbraw/zinc/48/69/63/655486963.db2.gz	VGYIVLGGSHZODO-INIZCTEOSA-N	2	2	384.318	1.651	20	10		GDCDLP
C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(Br)c3O)cn2)CC1	ZINC000278415460	531359270	/nfs/dbraw/zinc/35/92/70/531359270.db2.gz	QSUJSXRFAZCTQG-UHFFFAOYSA-N	2	2	392.301	1.986	20	10		GDCDLP
COc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843065366	655387733	/nfs/dbraw/zinc/38/77/33/655387733.db2.gz	LGGJJLUQKZIFDZ-AWEZNQCLSA-N	2	2	398.301	1.560	20	10		GDCDLP
COc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843065366	655387735	/nfs/dbraw/zinc/38/77/35/655387735.db2.gz	LGGJJLUQKZIFDZ-AWEZNQCLSA-N	2	2	398.301	1.560	20	10		GDCDLP
COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O	ZINC000848525865	655496335	/nfs/dbraw/zinc/49/63/35/655496335.db2.gz	QSFHXTFFJWAUQH-LLVKDONJSA-N	2	2	386.290	1.588	20	10		GDCDLP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1	ZINC000872254485	656321669	/nfs/dbraw/zinc/32/16/69/656321669.db2.gz	FNOSALFZSQCJTA-YUTCNCBUSA-N	2	2	382.258	1.522	20	10		GDCDLP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1	ZINC000872254485	656321672	/nfs/dbraw/zinc/32/16/72/656321672.db2.gz	FNOSALFZSQCJTA-YUTCNCBUSA-N	2	2	382.258	1.522	20	10		GDCDLP
NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)C1	ZINC000882984988	657261159	/nfs/dbraw/zinc/26/11/59/657261159.db2.gz	BGVCECGKDYZEIU-LLVKDONJSA-N	2	2	388.281	1.971	20	10		GDCDLP
NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)C1	ZINC000882984988	657261164	/nfs/dbraw/zinc/26/11/64/657261164.db2.gz	BGVCECGKDYZEIU-LLVKDONJSA-N	2	2	388.281	1.971	20	10		GDCDLP
Oc1cccc(Br)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1	ZINC000858138907	655744796	/nfs/dbraw/zinc/74/47/96/655744796.db2.gz	LUWJDGZEUZJEAS-CQSZACIVSA-N	2	2	384.318	1.651	20	10		GDCDLP
Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000895606849	658714413	/nfs/dbraw/zinc/71/44/13/658714413.db2.gz	GWMOLMIRMNYGPT-UHFFFAOYSA-N	2	2	379.306	1.619	20	10		GDCDLP
O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)N1CC[NH2+]CC1	ZINC000843047085	655387384	/nfs/dbraw/zinc/38/73/84/655387384.db2.gz	NUHNHJLEGIYLFQ-AWEZNQCLSA-N	2	2	382.302	1.799	20	10		GDCDLP
O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)N1CC[NH2+]CC1	ZINC000843047085	655387387	/nfs/dbraw/zinc/38/73/87/655387387.db2.gz	NUHNHJLEGIYLFQ-AWEZNQCLSA-N	2	2	382.302	1.799	20	10		GDCDLP
COc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O	ZINC000858224841	655746094	/nfs/dbraw/zinc/74/60/94/655746094.db2.gz	UFTRTYKXJORMOI-ZDUSSCGKSA-N	2	2	386.290	1.593	20	10		GDCDLP
COc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O	ZINC000858224841	655746095	/nfs/dbraw/zinc/74/60/95/655746095.db2.gz	UFTRTYKXJORMOI-ZDUSSCGKSA-N	2	2	386.290	1.593	20	10		GDCDLP
COc1cc(Br)cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O	ZINC000848525866	655496318	/nfs/dbraw/zinc/49/63/18/655496318.db2.gz	QSFHXTFFJWAUQH-NSHDSACASA-N	2	2	386.290	1.588	20	10		GDCDLP
NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)C1	ZINC000882984989	657261260	/nfs/dbraw/zinc/26/12/60/657261260.db2.gz	BGVCECGKDYZEIU-NSHDSACASA-N	2	2	388.281	1.971	20	10		GDCDLP
NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cc(F)c2O)C1	ZINC000882984989	657261263	/nfs/dbraw/zinc/26/12/63/657261263.db2.gz	BGVCECGKDYZEIU-NSHDSACASA-N	2	2	388.281	1.971	20	10		GDCDLP
Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1	ZINC000825267527	655486990	/nfs/dbraw/zinc/48/69/90/655486990.db2.gz	VGYIVLGGSHZODO-MRXNPFEDSA-N	2	2	384.318	1.651	20	10		GDCDLP
O=C1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CN1CC[NH+]1CCOCC1	ZINC000172697908	530617152	/nfs/dbraw/zinc/61/71/52/530617152.db2.gz	GCZZEOBMBMJLNM-OAHLLOKOSA-N	2	2	398.301	1.177	20	10		GDCDLP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1	ZINC000872254484	656321757	/nfs/dbraw/zinc/32/17/57/656321757.db2.gz	FNOSALFZSQCJTA-BNOWGMLFSA-N	2	2	382.258	1.522	20	10		GDCDLP
O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1	ZINC000872254484	656321760	/nfs/dbraw/zinc/32/17/60/656321760.db2.gz	FNOSALFZSQCJTA-BNOWGMLFSA-N	2	2	382.258	1.522	20	10		GDCDLP
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843065367	655387875	/nfs/dbraw/zinc/38/78/75/655387875.db2.gz	LGGJJLUQKZIFDZ-CQSZACIVSA-N	2	2	398.301	1.560	20	10		GDCDLP
COc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843065367	655387877	/nfs/dbraw/zinc/38/78/77/655387877.db2.gz	LGGJJLUQKZIFDZ-CQSZACIVSA-N	2	2	398.301	1.560	20	10		GDCDLP
Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843063973	655387909	/nfs/dbraw/zinc/38/79/09/655387909.db2.gz	CYJVTLYXTKQPQI-OAHLLOKOSA-N	2	2	382.302	1.859	20	10		GDCDLP
Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843063973	655387910	/nfs/dbraw/zinc/38/79/10/655387910.db2.gz	CYJVTLYXTKQPQI-OAHLLOKOSA-N	2	2	382.302	1.859	20	10		GDCDLP
CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+](C)CCOC	ZINC000846808948	655461127	/nfs/dbraw/zinc/46/11/27/655461127.db2.gz	VWNXPKRSWCLXGR-OAHLLOKOSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+](C)CCOC	ZINC000846808948	655461129	/nfs/dbraw/zinc/46/11/29/655461129.db2.gz	VWNXPKRSWCLXGR-OAHLLOKOSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@H+](C)CCOC	ZINC000846808948	655461131	/nfs/dbraw/zinc/46/11/31/655461131.db2.gz	VWNXPKRSWCLXGR-OAHLLOKOSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@@H+](C)CCOC	ZINC000846808948	655461134	/nfs/dbraw/zinc/46/11/34/655461134.db2.gz	VWNXPKRSWCLXGR-OAHLLOKOSA-N	2	2	375.307	1.916	20	10		GDCDLP
O=C1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CN1CC[NH+]1CCOCC1	ZINC000172697912	530617001	/nfs/dbraw/zinc/61/70/01/530617001.db2.gz	GCZZEOBMBMJLNM-HNNXBMFYSA-N	2	2	398.301	1.177	20	10		GDCDLP
C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc(Br)c2O)CC1	ZINC000277733687	531307015	/nfs/dbraw/zinc/30/70/15/531307015.db2.gz	LLNIHLAULPCZBQ-UHFFFAOYSA-N	2	2	399.333	1.980	20	10		GDCDLP
CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+](C)CCOC	ZINC000846808947	655461056	/nfs/dbraw/zinc/46/10/56/655461056.db2.gz	VWNXPKRSWCLXGR-HNNXBMFYSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+](C)CCOC	ZINC000846808947	655461057	/nfs/dbraw/zinc/46/10/57/655461057.db2.gz	VWNXPKRSWCLXGR-HNNXBMFYSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@H+](C)CCOC	ZINC000846808947	655461059	/nfs/dbraw/zinc/46/10/59/655461059.db2.gz	VWNXPKRSWCLXGR-HNNXBMFYSA-N	2	2	375.307	1.916	20	10		GDCDLP
CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@@H+](C)CCOC	ZINC000846808947	655461060	/nfs/dbraw/zinc/46/10/60/655461060.db2.gz	VWNXPKRSWCLXGR-HNNXBMFYSA-N	2	2	375.307	1.916	20	10		GDCDLP
Oc1cccc(Br)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1	ZINC000858138905	655744805	/nfs/dbraw/zinc/74/48/05/655744805.db2.gz	LUWJDGZEUZJEAS-AWEZNQCLSA-N	2	2	384.318	1.651	20	10		GDCDLP
Oc1c(Br)cc(Br)cc1C[NH2+]CCN1CC[NH2+]CC1	ZINC000841045323	655307949	/nfs/dbraw/zinc/30/79/49/655307949.db2.gz	SSGBXAHCTFDMGF-UHFFFAOYSA-N	2	2	393.123	1.912	20	10		GDCDLP
Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843063972	655387787	/nfs/dbraw/zinc/38/77/87/655387787.db2.gz	CYJVTLYXTKQPQI-HNNXBMFYSA-N	2	2	382.302	1.859	20	10		GDCDLP
Cc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O	ZINC000843063972	655387789	/nfs/dbraw/zinc/38/77/89/655387789.db2.gz	CYJVTLYXTKQPQI-HNNXBMFYSA-N	2	2	382.302	1.859	20	10		GDCDLP