smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1CNCC[NH2+]CCCN[C@H]([C@@H]2C[NH2+]CCCNCC[NH2+]CCCN2)C[NH2+]C1	ZINC000022441529	209237233	/nfs/dbraw/zinc/23/72/33/209237233.db2.gz	UFKVRQZMUTURNC-PMACEKPBSA-N	4	0	398.644	-1.972	1	0		GAAFRP
[NH3+]CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000028655053	207346556	/nfs/dbraw/zinc/34/65/56/207346556.db2.gz	CKHXUBMEMLIJEC-JISKZQGPSA-N	4	0	379.414	-5.999	1	0		GAAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(N3CC[NH2+]CC3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040620056	132405513	/nfs/dbraw/zinc/40/55/13/132405513.db2.gz	GFZGLYLMBKQFLV-KPWCQOOUSA-N	5	0	391.528	-2.989	1	0		GAAFRP
CCN(CC)c1nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1	ZINC000040753927	535689258	/nfs/dbraw/zinc/68/92/58/535689258.db2.gz	BWNATIRWZWTLNZ-KPWCQOOUSA-N	4	0	378.529	-1.553	1	0		GAAFRP
CO[C@H]1[C@@H](O)[C@H]([NH3+])[C@@H](O[C@H]2CCC[C@H]([C@H](C)[NH3+])O2)[C@H](O)[C@@H]1N(C)C(=O)C[NH3+]	ZINC000064548903	222073492	/nfs/dbraw/zinc/07/34/92/222073492.db2.gz	NFDZYFNCGOKALW-ARIWEMRGSA-N	3	0	390.481	-2.523	1	0		GAAFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CNC(N2CCNC2=O)=NC1=O	ZINC000066074460	222136546	/nfs/dbraw/zinc/13/65/46/222136546.db2.gz	VAJQESZZTDDYBM-VHSXEESVSA-N	2	0	381.441	-2.695	1	0		GAAFRP
NC(=[NH2+])NCCCC[C@H](O)CC(=O)N[C@@H](O)C[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000071341490	205283236	/nfs/dbraw/zinc/28/32/36/205283236.db2.gz	YZMBJIBYULJNRB-HOCLYGCPSA-N	4	0	389.545	-1.866	1	0		GAAFRP
CC(C)(C)OC(=O)NCC[NH+](CCC(=O)NCC[NH3+])CCC(=O)NCC[NH3+]	ZINC000096928716	211352763	/nfs/dbraw/zinc/35/27/63/211352763.db2.gz	SSURCBKLMBDXDL-UHFFFAOYSA-N	3	0	388.513	-1.257	1	0		GAAFRP