smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)CC2	ZINC001159609960	1068360365	/nfs/dbraw/zinc/36/03/65/1068360365.db2.gz	LLMAUFGSCZYBKA-CVEARBPZSA-N	1	3	445.586	-1.610	20	30		IAEDHO
N#Cc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001163438446	1068393498	/nfs/dbraw/zinc/39/34/98/1068393498.db2.gz	BVUSDYJNHDLZAT-HOTGVXAUSA-N	1	3	441.496	-1.776	20	30		IAEDHO
N#Cc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1	ZINC001163438834	1068394705	/nfs/dbraw/zinc/39/47/05/1068394705.db2.gz	GWEOKLQHXIOTHO-KBPBESRZSA-N	1	3	442.484	-2.381	20	30		IAEDHO
N#Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1	ZINC001163439427	1068394403	/nfs/dbraw/zinc/39/44/03/1068394403.db2.gz	OMOJBTZSUCMMOE-GJZGRUSLSA-N	1	3	442.484	-2.381	20	30		IAEDHO
N#Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1	ZINC001163439724	1068395473	/nfs/dbraw/zinc/39/54/73/1068395473.db2.gz	RWBBOLHONWESIN-HOTGVXAUSA-N	1	3	441.496	-1.776	20	30		IAEDHO
N#Cc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)n1	ZINC001163439791	1068395334	/nfs/dbraw/zinc/39/53/34/1068395334.db2.gz	VDRAWXLWDSOPQD-GJZGRUSLSA-N	1	3	442.484	-2.381	20	30		IAEDHO
N#C[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1	ZINC001254652367	1068461169	/nfs/dbraw/zinc/46/11/69/1068461169.db2.gz	CHWFBECAKWZAOP-HJWJTTGWSA-N	1	3	432.529	-1.167	20	30		IAEDHO
N#C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1	ZINC001254652368	1068460896	/nfs/dbraw/zinc/46/08/96/1068460896.db2.gz	CHWFBECAKWZAOP-IWCQGFGOSA-N	1	3	432.529	-1.167	20	30		IAEDHO
N#C[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1	ZINC001254652369	1068461092	/nfs/dbraw/zinc/46/10/92/1068461092.db2.gz	CHWFBECAKWZAOP-ORQFMDKSSA-N	1	3	432.529	-1.167	20	30		IAEDHO
N#C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)C1	ZINC001254652370	1068461044	/nfs/dbraw/zinc/46/10/44/1068461044.db2.gz	CHWFBECAKWZAOP-SIXLDLHFSA-N	1	3	432.529	-1.167	20	30		IAEDHO