smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300474	562647473	/nfs/dbraw/zinc/64/74/73/562647473.db2.gz	QOYHILJOTAVUSU-UHFFFAOYSA-N	2	2	525.994	2.774	1	70		KFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cc(Cl)c(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300612	562647484	/nfs/dbraw/zinc/64/74/84/562647484.db2.gz	KVVYERYNGZLDIF-UHFFFAOYSA-N	2	2	517.370	2.855	1	70		KFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043307443	562647508	/nfs/dbraw/zinc/64/75/08/562647508.db2.gz	SWZUTCFHSJAPMQ-UHFFFAOYSA-N	2	2	510.979	2.981	1	70		KFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCOCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307513	562647488	/nfs/dbraw/zinc/64/74/88/562647488.db2.gz	CIWZBZQOXHVBCN-UHFFFAOYSA-N	2	2	513.979	2.658	1	70		KFIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307534	562647512	/nfs/dbraw/zinc/64/75/12/562647512.db2.gz	MJRLRPCVNKUSQU-UHFFFAOYSA-N	2	2	510.979	2.981	1	70		KFIFLP
Cc1cc(NC(=O)NCCOc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	ZINC000043834237	562650954	/nfs/dbraw/zinc/65/09/54/562650954.db2.gz	JAKSRBURFHPDSU-UHFFFAOYSA-N	2	2	525.994	2.693	1	70		KFIFLP
C[N@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	ZINC000044093871	562652359	/nfs/dbraw/zinc/65/23/59/562652359.db2.gz	WDBNJGNBPAMNLP-SFHLNBCPSA-N	2	2	538.592	2.694	1	70		KFIFLP
C[N@@H+]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	ZINC000044093871	562652358	/nfs/dbraw/zinc/65/23/58/562652358.db2.gz	WDBNJGNBPAMNLP-SFHLNBCPSA-N	2	2	538.592	2.694	1	70		KFIFLP