smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cc2F)CC1	ZINC001311895243	1069601899	/nfs/dbraw/zinc/60/18/99/1069601899.db2.gz	NGRAWIASJFUBGY-QHCPKHFHSA-N	2	0	459.654	3.812	20	10		JHCDRP
CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c(C)c2)CC1	ZINC001310017785	1071062336	/nfs/dbraw/zinc/06/23/36/1071062336.db2.gz	BBEZJEKGEQBXAW-VWLOTQADSA-N	2	0	452.647	3.627	20	10		JHCDRP
CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1	ZINC001311569226	1069441913	/nfs/dbraw/zinc/44/19/13/1069441913.db2.gz	FCONWOVRMQLJCX-VWLOTQADSA-N	2	0	455.622	3.850	20	10		JHCDRP
CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1ccccc1	ZINC001311569225	1069442224	/nfs/dbraw/zinc/44/22/24/1069442224.db2.gz	FCONWOVRMQLJCX-RUZDIDTESA-N	2	0	455.622	3.850	20	10		JHCDRP
Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC001308503705	1070382997	/nfs/dbraw/zinc/38/29/97/1070382997.db2.gz	RFELWAXHEVXTDI-UHFFFAOYSA-N	2	0	454.416	3.985	20	10		JHCDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(I)s3)cc2F)CC1	ZINC001308252918	1070346446	/nfs/dbraw/zinc/34/64/46/1070346446.db2.gz	ZZLXRXZTFXAKAG-UHFFFAOYSA-N	2	0	459.372	3.924	20	10		JHCDRP
CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c(C)c2)CC1	ZINC001310017783	1071062414	/nfs/dbraw/zinc/06/24/14/1071062414.db2.gz	BBEZJEKGEQBXAW-RUZDIDTESA-N	2	0	452.647	3.627	20	10		JHCDRP
COc1cccc([C@@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[NH+]2CCCC2)c1	ZINC001311579546	1069447415	/nfs/dbraw/zinc/44/74/15/1069447415.db2.gz	GUOMKOPBWIUDSA-JWQCQUIFSA-N	2	0	453.631	3.500	20	10		JHCDRP
CC(C)[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[NH+]1CCCCCC1	ZINC001312311149	1069854662	/nfs/dbraw/zinc/85/46/62/1069854662.db2.gz	SDHOEMJUQNQERE-AREMUKBSSA-N	2	0	455.691	3.918	20	10		JHCDRP
COc1cccc([C@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[NH+]2CCCC2)c1	ZINC001311579545	1069447433	/nfs/dbraw/zinc/44/74/33/1069447433.db2.gz	GUOMKOPBWIUDSA-DQEYMECFSA-N	2	0	453.631	3.500	20	10		JHCDRP
CC(C)[C@H](CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[NH+]1CCCCCC1	ZINC001312311151	1069855034	/nfs/dbraw/zinc/85/50/34/1069855034.db2.gz	SDHOEMJUQNQERE-SANMLTNESA-N	2	0	455.691	3.918	20	10		JHCDRP
COc1cccc([C@@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[NH+]2CCCC2)c1	ZINC001311579547	1069447585	/nfs/dbraw/zinc/44/75/85/1069447585.db2.gz	GUOMKOPBWIUDSA-LOSJGSFVSA-N	2	0	453.631	3.500	20	10		JHCDRP
CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)cc2F)CC1	ZINC001311895242	1069601934	/nfs/dbraw/zinc/60/19/34/1069601934.db2.gz	NGRAWIASJFUBGY-HSZRJFAPSA-N	2	0	459.654	3.812	20	10		JHCDRP
COc1cccc([C@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[NH+]2CCCC2)c1	ZINC001311579548	1069447659	/nfs/dbraw/zinc/44/76/59/1069447659.db2.gz	GUOMKOPBWIUDSA-RPBOFIJWSA-N	2	0	453.631	3.500	20	10		JHCDRP