smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@@H]1CN[C@@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1	ZINC000026655288	563034811	/nfs/dbraw/zinc/03/48/11/563034811.db2.gz	AWSUPCUWTKNXJI-SXSPYAJSSA-N	1	3	431.540	2.228	1	0		IEAFHO
NC[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1	ZINC000026655288	563034812	/nfs/dbraw/zinc/03/48/12/563034812.db2.gz	AWSUPCUWTKNXJI-SXSPYAJSSA-N	1	3	431.540	2.228	1	0		IEAFHO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C1CCCCC1	ZINC000082152375	563173384	/nfs/dbraw/zinc/17/33/84/563173384.db2.gz	BLJRIUMEKILZNZ-VJBMBRPKSA-N	1	3	428.621	2.483	1	0		IEAFHO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1	ZINC000027523369	563042908	/nfs/dbraw/zinc/04/29/08/563042908.db2.gz	BKUFAYMPSGTAGX-MYDTUXCISA-N	1	3	443.588	2.004	1	0		IEAFHO
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1	ZINC000027523369	563042909	/nfs/dbraw/zinc/04/29/09/563042909.db2.gz	BKUFAYMPSGTAGX-MYDTUXCISA-N	1	3	443.588	2.004	1	0		IEAFHO
Cc1c(Cl)nc(NCc2ccc(C[NH3+])cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028368923	563053749	/nfs/dbraw/zinc/05/37/49/563053749.db2.gz	ZMUYNOLYDZVWOL-UHFFFAOYSA-N	1	3	440.935	2.373	1	0		IEAFHO
CN(C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+]3CCCC3)-c3ccccc3-n(c1=O)c42	ZINC000027757962	563046874	/nfs/dbraw/zinc/04/68/74/563046874.db2.gz	ILFZVLNGAYCIMZ-UHFFFAOYSA-N	1	3	444.539	2.140	1	0		IEAFHO
NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c1	ZINC000027763614	563047027	/nfs/dbraw/zinc/04/70/27/563047027.db2.gz	FNTOJBJUDKELHS-JOCHJYFZSA-N	1	3	442.523	2.186	1	0		IEAFHO
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC[NH+](C1CCCCC1)C1CCCCC1	ZINC000095604400	563193733	/nfs/dbraw/zinc/19/37/33/563193733.db2.gz	BRILBJHBWYHABI-UEQSERJNSA-N	1	3	426.642	2.273	1	0		IEAFHO
Cc1c(Cl)nc(NCc2cccc(C[NH3+])c2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028379135	563054068	/nfs/dbraw/zinc/05/40/68/563054068.db2.gz	YBRIOBCYUFHTCF-UHFFFAOYSA-N	1	3	440.935	2.373	1	0		IEAFHO
NC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)n1cccc1CNC(=O)CC1CCCCC1	ZINC000026485868	563032350	/nfs/dbraw/zinc/03/23/50/563032350.db2.gz	QNDVRLNEUZRWNQ-JOCHJYFZSA-N	1	3	425.577	2.350	1	0		IEAFHO
COc1cc2nc(N3CCCN(C)CC3)nc(N(C)C3CC[NH+](C)CC3)c2cc1OC	ZINC000058541589	563144366	/nfs/dbraw/zinc/14/43/66/563144366.db2.gz	XQYWCPUDKLVSIQ-UHFFFAOYSA-N	1	3	428.581	2.319	1	0		IEAFHO
[NH3+]C[C@@H]1CN[C@@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2ccc3ncccc3c2)C1	ZINC000003955215	562939885	/nfs/dbraw/zinc/93/98/85/562939885.db2.gz	MWHIVLDZWWNQPL-SXSPYAJSSA-N	1	3	431.540	2.228	1	0		IEAFHO
NC[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2ccc3ncccc3c2)C1	ZINC000003955215	562939886	/nfs/dbraw/zinc/93/98/86/562939886.db2.gz	MWHIVLDZWWNQPL-SXSPYAJSSA-N	1	3	431.540	2.228	1	0		IEAFHO