smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNC(=[NH2+])c1ccc(N2CCCN(c3ccc(C(=[NH2+])NCCCC)cc3)CC2)cc1	ZINC000025992157	563028092	/nfs/dbraw/zinc/02/80/92/563028092.db2.gz	QUYQIACDGIMYCS-UHFFFAOYSA-N	2	0	448.659	4.414	1	30		IIEFRP
CC[NH+]=C(NCCCCCCNC(NCc1ccccc1)=[NH+]CC)NCc1ccccc1	ZINC000045227310	563125521	/nfs/dbraw/zinc/12/55/21/563125521.db2.gz	QQSUNPFGBICRSA-UHFFFAOYSA-N	2	0	436.648	4.057	1	30		IIEFRP
N#Cc1ccc2c(c1)c(C1=CC[N@@H+]([C@@H]3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)C[NH3+]	ZINC000036222047	563092130	/nfs/dbraw/zinc/09/21/30/563092130.db2.gz	CTZWWIABADGLMN-QDPGVEIFSA-N	2	0	448.570	4.372	1	30		IIEFRP
CC(C)(C)NC(=[NH2+])c1ccc(N2CCCN(c3ccc(C(=[NH2+])NC(C)(C)C)cc3)CC2)cc1	ZINC000025997514	563028160	/nfs/dbraw/zinc/02/81/60/563028160.db2.gz	DAFHSSHACDUCBK-UHFFFAOYSA-N	2	0	448.659	4.411	1	30		IIEFRP
CN(C)c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1	ZINC000013601054	562996737	/nfs/dbraw/zinc/99/67/37/562996737.db2.gz	BWLOCITZVICVOC-YZSQISJMSA-N	2	0	445.394	4.275	1	30		IIEFRP
NC(=[NH2+])NCCC[C@H]([NH2+]Cc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc21	ZINC000095539354	563180620	/nfs/dbraw/zinc/18/06/20/563180620.db2.gz	MOENHRSRNGVQFI-VWLOTQADSA-N	2	0	439.563	4.144	1	30		IIEFRP
Cc1cc2c(cc1OCCC[NH+]1CCCC1)ncc(C#N)c2Nc1ccc2[nH]c(N)[nH+]c2c1	ZINC000040891902	563109971	/nfs/dbraw/zinc/10/99/71/563109971.db2.gz	VZIACSKPSQIAFS-UHFFFAOYSA-N	2	0	441.539	4.482	1	30		IIEFRP
N#Cc1ccc2c(c1)c(C1=CC[N@@H+]([C@H]3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)C[NH3+]	ZINC000036222043	563092117	/nfs/dbraw/zinc/09/21/17/563092117.db2.gz	CTZWWIABADGLMN-LXFBAYGMSA-N	2	0	448.570	4.372	1	30		IIEFRP
N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1	ZINC000013601051	562996741	/nfs/dbraw/zinc/99/67/41/562996741.db2.gz	YXTFOFXDMVBSSI-WGOQTCKBSA-N	2	0	427.335	4.081	1	30		IIEFRP
NC(=[NH2+])NCCC[C@H]([NH2+]Cc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1	ZINC000013440195	562986235	/nfs/dbraw/zinc/98/62/35/562986235.db2.gz	LPIIJPUTCIWQJL-VWLOTQADSA-N	2	0	439.563	4.144	1	30		IIEFRP
c1ccc2nc(N3CC[NH+](CCCCCNC4=[NH+]c5ccccc5OC4)CC3)ccc2c1	ZINC000026399991	563031858	/nfs/dbraw/zinc/03/18/58/563031858.db2.gz	AJJDVTHYWZXRCC-UHFFFAOYSA-N	2	0	429.568	4.430	1	30		IIEFRP
C[NH2+]Cc1cc(C#CCCN2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(SC)cc1	ZINC000028825157	563066213	/nfs/dbraw/zinc/06/62/13/563066213.db2.gz	NLDYNKODZYDSNC-UHFFFAOYSA-N	2	0	435.637	4.442	1	30	in-vitro	IIEFRP