smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=N/NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C/c3ccc(N(C)C)cc3)CC2)cc1	ZINC000022037295	553723265	/nfs/dbraw/zinc/72/32/65/553723265.db2.gz	RCHWVVXJEGAMLH-IENBMRAWSA-N	0	3	610.902	2.513	40	30		KFEBHN
CN1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000059489993	554398682	/nfs/dbraw/zinc/39/86/82/554398682.db2.gz	GVEQPWMVWPQIGH-UHFFFAOYSA-N	0	3	517.568	2.507	40	30		KFEBHN
CCCCCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000095740170	553711649	/nfs/dbraw/zinc/71/16/49/553711649.db2.gz	MFUJRSZQSMPGLX-AHWHJIRKSA-N	0	3	669.724	2.913	40	30		KFEBHN
CCCCCCCC(=O)OCC(=O)[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000095740172	553711631	/nfs/dbraw/zinc/71/16/31/553711631.db2.gz	MFUJRSZQSMPGLX-JRGONAMDSA-N	0	3	669.724	2.913	40	30		KFEBHN
CCCCCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000095740174	553711642	/nfs/dbraw/zinc/71/16/42/553711642.db2.gz	MFUJRSZQSMPGLX-KOPDVYPHSA-N	0	3	669.724	2.913	40	30		KFEBHN
CCCCCCCC(=O)OCC(=O)[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000095740176	553711647	/nfs/dbraw/zinc/71/16/47/553711647.db2.gz	MFUJRSZQSMPGLX-OSPAXUCYSA-N	0	3	669.724	2.913	40	30		KFEBHN
CN(C)c1ccc(/C=N\NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C\c3ccc(N(C)C)cc3)CC2)cc1	ZINC000104064421	571372022	/nfs/dbraw/zinc/37/20/22/571372022.db2.gz	RCHWVVXJEGAMLH-DQWRGTGXSA-N	0	3	610.902	2.513	40	30		KFEBHN
CN(C)c1ccc(/C=N/NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C\c3ccc(N(C)C)cc3)CC2)cc1	ZINC000104064426	571372103	/nfs/dbraw/zinc/37/21/03/571372103.db2.gz	RCHWVVXJEGAMLH-HUMGCQOQSA-N	0	3	610.902	2.513	40	30		KFEBHN
COc1ccc2[nH]c3c([nH]c(=O)n(N=Cc4ccc(OC)c(CN5C[C@H]6C[C@@H](C5)c5cccc(=O)n5C6)c4)c3=O)c2c1	ZINC000104075238	571372283	/nfs/dbraw/zinc/37/22/83/571372283.db2.gz	LFUNYVOCOLLFAW-MMYWBCBESA-N	0	3	566.618	2.852	40	30		KFEBHN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000408952898	1059597577	/nfs/dbraw/zinc/59/75/77/1059597577.db2.gz	OGWPMJJDFUPNSA-CXEJKDRBSA-N	0	3	610.668	2.925	40	30		KFEBHN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000408952901	1059025355	/nfs/dbraw/zinc/02/53/55/1059025355.db2.gz	OGWPMJJDFUPNSA-DTGKKMCQSA-N	0	3	610.668	2.925	40	30		KFEBHN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000408952903	1059025516	/nfs/dbraw/zinc/02/55/16/1059025516.db2.gz	OGWPMJJDFUPNSA-IFPDJJBRSA-N	0	3	610.668	2.925	40	30		KFEBHN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000408952904	1059597740	/nfs/dbraw/zinc/59/77/40/1059597740.db2.gz	OGWPMJJDFUPNSA-LEHBDLCNSA-N	0	3	610.668	2.925	40	30		KFEBHN