smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=[NH2+])cn2C)c(C(=O)NCCC(N)=[NH2+])c1	ZINC000004215456	555976742	/nfs/dbraw/zinc/97/67/42/555976742.db2.gz	FEILMVGZFWHKPV-UHFFFAOYSA-N	2	0	430.473	-0.907	50	0		IBAARP
Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=[NH2+])cn2C)cc1C(=O)NCCC(N)=[NH2+]	ZINC000004403891	562943237	/nfs/dbraw/zinc/94/32/37/562943237.db2.gz	IDBIFFKSXLYUOT-UHFFFAOYSA-N	2	0	430.473	-0.907	50	0	in-vivo	IBAARP
[NH3+]CCCC(=O)N1CCOCCOCCN(C(=O)CCC[NH3+])CCOCCOCC1	ZINC000004661810	556859713	/nfs/dbraw/zinc/85/97/13/556859713.db2.gz	WAQDSUZUMBUFAP-UHFFFAOYSA-N	2	0	432.562	-0.799	50	0		IBAARP
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000011326236	556340708	/nfs/dbraw/zinc/34/07/08/556340708.db2.gz	WINFHLHJTRGLCV-BZSNNMDCSA-N	2	0	437.541	-0.426	50	0		IBAARP
COC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C	ZINC000032124119	569460359	/nfs/dbraw/zinc/46/03/59/569460359.db2.gz	DPWOYNQWSJVSQP-GVDBMIGSSA-N	2	0	434.541	-0.382	50	0	biogenic	IBAARP
COC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C	ZINC000032124120	569460380	/nfs/dbraw/zinc/46/03/80/569460380.db2.gz	DPWOYNQWSJVSQP-BRWVUGGUSA-N	2	0	434.541	-0.382	50	0	biogenic	IBAARP
C[NH+]1CCN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000035401503	523900244	/nfs/dbraw/zinc/90/02/44/523900244.db2.gz	CHFKTGPIQJBISC-UHFFFAOYSA-N	2	0	441.573	-0.114	50	0		IBAARP
C[NH+]1CCN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccc(F)c2)CC1	ZINC000035401515	523898956	/nfs/dbraw/zinc/89/89/56/523898956.db2.gz	HRZADXQUDVCCRD-UHFFFAOYSA-N	2	0	441.573	-0.114	50	0		IBAARP
C[NH+]1CCN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccs2)CC1	ZINC000045945352	557553994	/nfs/dbraw/zinc/55/39/94/557553994.db2.gz	VGLHCMQTOYRLQB-UHFFFAOYSA-N	2	0	429.612	-0.192	50	0		IBAARP
Cc1ccc(C)c(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)N2CC[NH2+]CC2)c1	ZINC000045974792	557556571	/nfs/dbraw/zinc/55/65/71/557556571.db2.gz	QFZKJZHQWKLEJN-UHFFFAOYSA-N	2	0	437.610	-0.027	50	0		IBAARP
CCc1ccc(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000045974796	557556620	/nfs/dbraw/zinc/55/66/20/557556620.db2.gz	KADVXNHHMANRKP-UHFFFAOYSA-N	2	0	437.610	-0.081	50	0		IBAARP