smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c1	ZINC000027203073	561845457	/nfs/dbraw/zinc/84/54/57/561845457.db2.gz	PEVCHIZAJILPKB-UHFFFAOYSA-N	4	0	547.793	0.324	1	5		KCBFRP
O=[N+]([O-])c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCNCCC[NH2+]CC1	ZINC000027209135	561846703	/nfs/dbraw/zinc/84/67/03/561846703.db2.gz	PVQJXUBDIITLCV-UHFFFAOYSA-N	4	0	547.793	0.324	1	5		KCBFRP
C[NH+](C)CCNc1cc2c(=O)n(CC[NH+](C)C)c(=O)c3c(NCC[NH+](C)C)cc4c(=O)n(CC[NH+](C)C)c(=O)c1c4c23	ZINC000029041108	561990963	/nfs/dbraw/zinc/99/09/63/561990963.db2.gz	ARCGTOMVFMRJQR-UHFFFAOYSA-N	4	0	580.734	0.136	1	5		KCBFRP
C[NH+](C)CCCn1c(=O)c2cc(NCCCO)c3c(=O)n(CCC[NH+](C)C)c(=O)c4cc(NCCCO)c(c1=O)c2c43	ZINC000029041171	561991108	/nfs/dbraw/zinc/99/11/08/561991108.db2.gz	XRDZCSQPAUGHQH-UHFFFAOYSA-N	2	0	582.702	0.558	1	5	in-vitro	KCBFRP
CC(=O)NCC[NH2+]CCNCn1c(=O)c2ccc3c4ccc5c(=O)n(CNCC[NH2+]CCNC(C)=O)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56	ZINC000029132892	562003473	/nfs/dbraw/zinc/00/34/73/562003473.db2.gz	YABMJACHFJHRJF-UHFFFAOYSA-N	2	0	704.788	0.509	1	5		KCBFRP
C[N+]1(CCC(=O)Nc2ccc3[nH]c4ccc(NC(=O)CC[N+]5(C)CCNCC5)cc4c(=O)c3c2)CCNCC1	ZINC000049017777	717129748	/nfs/dbraw/zinc/12/97/48/717129748.db2.gz	IDNKXIDRMLKRIN-HSZRJFAPSA-P	2	0	535.693	0.960	1	5		KCBFRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)NCCCC[C@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000082186126	562742383	/nfs/dbraw/zinc/74/23/83/562742383.db2.gz	HZOFYHIJJYTFES-XAXKJMDRSA-N	2	0	667.768	0.855	1	5		KCBFRP
CC(C)[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCCC[C@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000082186132	562742419	/nfs/dbraw/zinc/74/24/19/562742419.db2.gz	HZOFYHIJJYTFES-OSADXMDESA-N	2	0	667.768	0.855	1	5		KCBFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCn1c(=O)c2ccc3c(=O)n(CCC[NH2+]CCCC[NH2+]CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000084668450	562747593	/nfs/dbraw/zinc/74/75/93/562747593.db2.gz	SGXULVDDOUVPFQ-UHFFFAOYSA-N	6	0	636.842	0.462	1	5		KCBFRP
[NH3+]CCC[NH2+]CCCCn1c(=O)c2ccc3c(=O)n(CCCC[NH2+]CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000084668865	562747735	/nfs/dbraw/zinc/74/77/35/562747735.db2.gz	MBNDAJZIGPUFMZ-UHFFFAOYSA-N	4	0	522.650	0.503	1	5		KCBFRP
C[N+]1(CCC(=O)Nc2ccc3[nH]c4ccc(NC(=O)CC[N+]5(C)CCNCC5)cc4c(=O)c3c2)CCNCC1	ZINC000096315954	717141603	/nfs/dbraw/zinc/14/16/03/717141603.db2.gz	IDNKXIDRMLKRIN-QHCPKHFHSA-P	2	0	535.693	0.960	1	5		KCBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCC[NH+]5CCCC5)cc(c1=O)c2c34	ZINC000096937360	562804165	/nfs/dbraw/zinc/80/41/65/562804165.db2.gz	PVNXYCZDIPWDMC-UHFFFAOYSA-N	3	0	608.740	0.730	1	5		KCBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCCOCCOCC[NH+]5CCCC5)cc(c1=O)c2c34	ZINC000096937364	562804142	/nfs/dbraw/zinc/80/41/42/562804142.db2.gz	PIFMHTSMXTUMDA-UHFFFAOYSA-N	3	0	652.793	0.746	1	5		KCBFRP
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4c(NCCOCC[NH+]5CCCC5)cc(c1=O)c2c34	ZINC000096937368	562804170	/nfs/dbraw/zinc/80/41/70/562804170.db2.gz	SZBNRUDMOVKCST-UHFFFAOYSA-N	3	0	564.687	0.713	1	5		KCBFRP
CN(CCCNc1c(NCCC[N+](C)(C)C)c(=O)c1=O)CCCNc1c(NCCC[N+](C)(C)C)c(=O)c1=O	ZINC000103244142	562819714	/nfs/dbraw/zinc/81/97/14/562819714.db2.gz	CKRHIOFCDSJTJC-UHFFFAOYSA-P	2	0	535.734	0.131	1	5		KCBFRP
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NCC[NH3+]	ZINC000169307632	562853893	/nfs/dbraw/zinc/85/38/93/562853893.db2.gz	NKNGUMRMENYDJR-OXCFDMGDSA-O	2	0	604.817	0.206	1	5		KCBFRP
CC(C)C[C@H](NC(=O)[C@H](C)[NH2+]Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O	ZINC000169307669	562853897	/nfs/dbraw/zinc/85/38/97/562853897.db2.gz	FIJMGIYSTZOPHI-BIHRQFPBSA-O	2	0	549.737	0.019	1	5		KCBFRP