smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1CCC(c2nc3c(c(N4CCN5CCC[C@@H]5C4)n2)CC[NH2+]CC3)C1	ZINC000072419784	203219272	/nfs/dbraw/zinc/21/92/72/203219272.db2.gz	JXSIGTLUGUEBTD-MRXNPFEDSA-N	1	3	341.503	2.107	1	0		EEAFHO
N=C(N)c1cccc(Oc2cncc(Oc3cccc(C(N)=[NH2+])c3)n2)n1	ZINC000029416496	581097297	/nfs/dbraw/zinc/09/72/97/581097297.db2.gz	QXTCYPIVURITLG-UHFFFAOYSA-N	1	3	349.354	2.024	1	0		EEAFHO
O[C@H]1[C@H](N2CCOC3(CCCC3)C2)c2ccccc2C12CC[NH2+]CC2	ZINC000023251740	212365095	/nfs/dbraw/zinc/36/50/95/212365095.db2.gz	UHJTTYUWJXYHSD-MOPGFXCFSA-N	1	3	342.483	2.368	1	0		EEAFHO
NCCC[NH2+]CCCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000040913789	213399604	/nfs/dbraw/zinc/39/96/04/213399604.db2.gz	REHOLDNJGQRFKC-UHFFFAOYSA-N	1	3	325.412	2.154	1	0		EEAFHO
[NH3+]CCCNCCCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000040913789	213399607	/nfs/dbraw/zinc/39/96/07/213399607.db2.gz	REHOLDNJGQRFKC-UHFFFAOYSA-N	1	3	325.412	2.154	1	0		EEAFHO
CC(C)NC(N)=[NH+]c1nc(O)cn1-c1cccc(Cl)c1Cl	ZINC000102003449	219179729	/nfs/dbraw/zinc/17/97/29/219179729.db2.gz	DCDBUNSKHMRDAF-UHFFFAOYSA-N	1	3	328.203	2.218	1	0		EEAFHO
c1cc(Nc2ccc(NC3=[NH+]CCN3)cc2)ccc1NC1=NCCN1	ZINC000013836783	211648980	/nfs/dbraw/zinc/64/89/80/211648980.db2.gz	AJWTXSLKVJNYAB-UHFFFAOYSA-N	1	3	335.415	2.172	1	0	in-vitro	EEAFHO
N=C(N)c1cccc(Oc2ccnc(Oc3cccc(C(N)=[NH2+])c3)n2)n1	ZINC000029416493	581097193	/nfs/dbraw/zinc/09/71/93/581097193.db2.gz	NGZIAJQDDOOBPP-UHFFFAOYSA-N	1	3	349.354	2.024	1	0		EEAFHO
O=[N+]([O-])OCCNCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000040848290	213392588	/nfs/dbraw/zinc/39/25/88/213392588.db2.gz	BVXJRJBJOXPGLJ-UHFFFAOYSA-N	1	3	330.388	2.323	1	0		EEAFHO
COc1ccccc1CNCCCNC(=O)C1=CC(C)(C)[NH2+]C1(C)C	ZINC000040631748	213362274	/nfs/dbraw/zinc/36/22/74/213362274.db2.gz	ADINYVNBDPKVCL-UHFFFAOYSA-N	1	3	345.487	2.378	1	0		EEAFHO