smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)C1CCC([NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001168328864	1059440047	/nfs/dbraw/zinc/44/00/47/1059440047.db2.gz	LSGKHRFBSUEPQQ-KXXGJQBSSA-N	2	0	500.003	2.811	20	0		KFADRP
C[NH+](C)C1CCC([NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001168328869	1059439954	/nfs/dbraw/zinc/43/99/54/1059439954.db2.gz	LSGKHRFBSUEPQQ-QPFKGPCDSA-N	2	0	500.003	2.811	20	0		KFADRP
C[NH+]1CCC(CC[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001207487914	1059765757	/nfs/dbraw/zinc/76/57/57/1059765757.db2.gz	YQXCSDXXEBNBIX-HSZRJFAPSA-N	2	0	500.003	2.670	20	0		KFADRP
C[NH+]1CCC(CC[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001207487915	1059765578	/nfs/dbraw/zinc/76/55/78/1059765578.db2.gz	YQXCSDXXEBNBIX-QHCPKHFHSA-N	2	0	500.003	2.670	20	0		KFADRP
C[NH+]1CCC(C)(C[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001208109862	1059765722	/nfs/dbraw/zinc/76/57/22/1059765722.db2.gz	UESNIEGXEYEPKP-JOCHJYFZSA-N	2	0	500.003	2.670	20	0		KFADRP
C[NH+]1CCC(C)(C[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001208109863	1059765525	/nfs/dbraw/zinc/76/55/25/1059765525.db2.gz	UESNIEGXEYEPKP-QFIPXVFZSA-N	2	0	500.003	2.670	20	0		KFADRP
CC[NH+]1CCC(C[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001208600931	1059766316	/nfs/dbraw/zinc/76/63/16/1059766316.db2.gz	GJDHQKAHCVBVAC-HSZRJFAPSA-N	2	0	500.003	2.670	20	0		KFADRP
CC[NH+]1CCC(C[NH+]2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1	ZINC001208600932	1059766454	/nfs/dbraw/zinc/76/64/54/1059766454.db2.gz	GJDHQKAHCVBVAC-QHCPKHFHSA-N	2	0	500.003	2.670	20	0		KFADRP
[NH3+][C@H](C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1)C1CC[NH2+]CC1	ZINC001218643949	1059766266	/nfs/dbraw/zinc/76/62/66/1059766266.db2.gz	QSCPDAXDMSVEKC-NRFANRHFSA-N	2	0	500.003	2.676	20	0		KFADRP
[NH3+][C@@H](C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1)C1CC[NH2+]CC1	ZINC001218643950	1059767107	/nfs/dbraw/zinc/76/71/07/1059767107.db2.gz	QSCPDAXDMSVEKC-OAQYLSRUSA-N	2	0	500.003	2.676	20	0		KFADRP