smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc2ccccc2)cs1	ZINC000029403580	562020299	/nfs/dbraw/zinc/02/02/99/562020299.db2.gz	PVKALRONQRTGGJ-KCHLEUMXSA-N	2	3	724.908	1.026	1	30		KDEFHP
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N\OCC[NH2+]CCCC[NH2+]CCCN	ZINC000044069582	562652103	/nfs/dbraw/zinc/65/21/03/562652103.db2.gz	KRTJRBOORMQZLP-HXYHDSOZSA-N	2	3	562.671	1.738	1	30		KDEFHP
CN1CCN(c2nc3ccc(/[NH+]=C/N4CCN(CCC[NH+](C)C)CC4)cc3nc2N2CCN(C)CC2)CC1	ZINC000053257324	562696912	/nfs/dbraw/zinc/69/69/12/562696912.db2.gz	YEHNVAQTPAQUSV-BYNJWEBRSA-N	2	3	522.746	1.363	1	30		KDEFHP
CNC[C@@]12C[C@H](CC[NH2+]1)Oc1cc(c(C(O)O)cc1O)C[C@H]1[C@@H](C#C[C@@](CNC(=[NH2+])NC)([C@H](C)O)CC[C@H](O)C[C@@H]1OC(C)=O)CCC2	ZINC000085627813	565160738	/nfs/dbraw/zinc/16/07/38/565160738.db2.gz	XKIDDZQTPVYZHY-SITCPWBWSA-N	2	3	673.852	1.014	1	30	biogenic,in-vitro	KDEFHP
CNC[C@@]12C[C@H](CC[NH2+]1)Oc1cc(c(CO)cc1O)C[C@H]1[C@@H](C#C[C@](CNC(=[NH2+])NC)([C@H](C)O)CC[C@H](O)C[C@@H]1OC(C)=O)CCC2	ZINC000085627851	565160755	/nfs/dbraw/zinc/16/07/55/565160755.db2.gz	AYSNLXAEUBSSSK-KMEFREEOSA-N	2	3	657.853	1.523	1	30	biogenic,in-vitro	KDEFHP
CC(=O)O[C@H]1C[C@@H](O)CC[C@]2(C#CC[C@H]1Cc1cc(OC3CC[NH2+]CC3)c(O)cc1CO)CCN1C[C@H]3C[C@@H](C1)CN(C3)C[NH+]=C(N)NC2	ZINC000085627957	565160779	/nfs/dbraw/zinc/16/07/79/565160779.db2.gz	SWBLTEOCJQCRAF-IDSMYLDZSA-N	2	3	680.891	1.759	1	30	biogenic,in-vitro	KDEFHP