smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000003869960	560190577	/nfs/dbraw/zinc/19/05/77/560190577.db2.gz	NEDQLXHBVHSKNV-CHWSQXEVSA-N	2	0	434.563	-2.456	1	30	in-vitro	IAEFRP
[NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000003869961	560190633	/nfs/dbraw/zinc/19/06/33/560190633.db2.gz	NEDQLXHBVHSKNV-OLZOCXBDSA-N	2	0	434.563	-2.456	1	30	in-vitro	IAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000013738791	563002830	/nfs/dbraw/zinc/00/28/30/563002830.db2.gz	HRRNGHWWBSTUSZ-KKUMJFAQSA-N	2	0	448.528	-2.670	1	30		IAEFRP
NC(=[NH2+])NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]2NC(N)=[NH2+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000014949066	563015562	/nfs/dbraw/zinc/01/55/62/563015562.db2.gz	UTIKCPMQLFAMCZ-HKEUSBCWSA-N	4	0	448.485	-7.172	1	30		IAEFRP
NC(=[NH2+])NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]2[NH3+])[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1O	ZINC000014949069	563015537	/nfs/dbraw/zinc/01/55/37/563015537.db2.gz	IFOYSUCQYKQOEX-KXJULSOVSA-N	4	0	448.485	-7.172	1	30		IAEFRP
NC(=[NH2+])NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2NC(N)=[NH2+])[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1O	ZINC000014949072	563015577	/nfs/dbraw/zinc/01/55/77/563015577.db2.gz	AXXFTNPLLFKBSI-HKEUSBCWSA-N	4	0	448.485	-7.172	1	30		IAEFRP
NC(=[NH2+])NCCCCCCNC(=O)C(CO)(CO)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026734478	563036024	/nfs/dbraw/zinc/03/60/24/563036024.db2.gz	FTPHPQMTHUIEGL-UHFFFAOYSA-N	3	0	431.582	-2.258	1	30		IAEFRP
COC(OC)(C(=O)NCCCCCCNC(N)=[NH2+])C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026738012	563036105	/nfs/dbraw/zinc/03/61/05/563036105.db2.gz	WSDCECZDTTVEKH-UHFFFAOYSA-N	3	0	431.582	-1.240	1	30		IAEFRP
CC(=O)N[C@@H](C(=O)NCCCCCCNC(N)=[NH2+])C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026742470	563036222	/nfs/dbraw/zinc/03/62/22/563036222.db2.gz	ONGPPAZQRARPBJ-INIZCTEOSA-N	3	0	428.582	-1.724	1	30		IAEFRP
CC(=O)N[C@H](C(=O)NCCCCCCNC(N)=[NH2+])C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000026742475	563036365	/nfs/dbraw/zinc/03/63/65/563036365.db2.gz	ONGPPAZQRARPBJ-MRXNPFEDSA-N	3	0	428.582	-1.724	1	30		IAEFRP
NC(=[NH2+])NCCC[C@@H](COC(N)=O)NC(=O)OC[C@@H]([NH3+])CCCNc1c(N)c(=O)c1=O	ZINC000028526375	563056956	/nfs/dbraw/zinc/05/69/56/563056956.db2.gz	ITXPXQJPKRDVEA-CXZBRDPCSA-N	2	0	442.477	-2.295	1	30		IAEFRP
NC(=[NH2+])NCCC[C@@H](COC(N)=O)NC(=O)OC[C@H]([NH3+])CCCNc1c(N)c(=O)c1=O	ZINC000028526376	563056957	/nfs/dbraw/zinc/05/69/57/563056957.db2.gz	ITXPXQJPKRDVEA-MJLUNFESSA-N	2	0	442.477	-2.295	1	30		IAEFRP
NC(=[NH2+])NCCC[C@H](COC(N)=O)NC(=O)OC[C@H]([NH3+])CCCNc1c(N)c(=O)c1=O	ZINC000034086874	563085525	/nfs/dbraw/zinc/08/55/25/563085525.db2.gz	ITXPXQJPKRDVEA-SIDHVHLXSA-N	2	0	442.477	-2.295	1	30		IAEFRP
CC(C)(C)OC(=O)N[C@H](CCC[NH3+])C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000060580319	563147074	/nfs/dbraw/zinc/14/70/74/563147074.db2.gz	VWNUZIAJLLXPJE-QWHCGFSZSA-N	2	0	429.522	-1.528	1	30		IAEFRP
CCOC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000096902788	563197470	/nfs/dbraw/zinc/19/74/70/563197470.db2.gz	VPHQEGYOMALITM-NWDGAFQWSA-N	2	0	443.509	-2.992	1	30		IAEFRP