smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccc2[nH]c(=O)ccc2c1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784570	562087732	/nfs/dbraw/zinc/08/77/32/562087732.db2.gz	SJAPPPAALBAIBC-RUDMXATFSA-N	1	0	549.571	3.724	1	70		KHIFRO
CN(C)c1ccc(/C=C/C(=O)NCCCC[N@@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784606	562087746	/nfs/dbraw/zinc/08/77/46/562087746.db2.gz	GJWDRNPPBDVMAH-KPKJPENVSA-N	1	0	525.593	3.949	1	70		KHIFRO
COc1ccc(/C=C/C(=O)NCCCC[N@@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784626	562087767	/nfs/dbraw/zinc/08/77/67/562087767.db2.gz	YTBUMNNIZGPKLZ-IZZDOVSWSA-N	1	0	512.550	3.892	1	70		KHIFRO
Cc1ccccc1[C@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043300548	562647447	/nfs/dbraw/zinc/64/74/47/562647447.db2.gz	ZKQIMZLNOXBJLE-QHCPKHFHSA-N	1	0	536.633	3.804	1	70		KHIFRO
COc1cccc([C@@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300600	562647452	/nfs/dbraw/zinc/64/74/52/562647452.db2.gz	XATBCJYYWCCTQR-HSZRJFAPSA-N	1	0	552.632	3.504	1	70		KHIFRO
COc1ccccc1[C@@H](Cc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC000043307384	562647528	/nfs/dbraw/zinc/64/75/28/562647528.db2.gz	NEROVILGNUVAAL-JOCHJYFZSA-N	1	0	552.632	3.504	1	70		KHIFRO
Cc1cccc([C@@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307491	562647502	/nfs/dbraw/zinc/64/75/02/562647502.db2.gz	GRSGPYOXHOWBAB-HSZRJFAPSA-N	1	0	536.633	3.804	1	70		KHIFRO
Cc1cccc([C@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307493	562647521	/nfs/dbraw/zinc/64/75/21/562647521.db2.gz	GRSGPYOXHOWBAB-QHCPKHFHSA-N	1	0	536.633	3.804	1	70		KHIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc([C@@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c2ccccc2)cc1	ZINC000043307507	562647534	/nfs/dbraw/zinc/64/75/34/562647534.db2.gz	NAYZKURXZCWPRI-QFIPXVFZSA-N	1	0	522.606	3.691	1	70		KHIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc([C@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c2ccccc2)cc1	ZINC000043307509	562647519	/nfs/dbraw/zinc/64/75/19/562647519.db2.gz	NAYZKURXZCWPRI-JOCHJYFZSA-N	1	0	522.606	3.691	1	70		KHIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C[C@@H](CCc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307541	562647500	/nfs/dbraw/zinc/64/75/00/562647500.db2.gz	BMVGZONOZDMFBR-OAQYLSRUSA-N	1	0	550.660	3.961	1	70		KHIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(C[C@H](CCc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307543	562647588	/nfs/dbraw/zinc/64/75/88/562647588.db2.gz	BMVGZONOZDMFBR-NRFANRHFSA-N	1	0	550.660	3.961	1	70		KHIFRO
Cc1ccc([C@H](Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307553	562647561	/nfs/dbraw/zinc/64/75/61/562647561.db2.gz	LZDBUFATYNEMLR-QHCPKHFHSA-N	1	0	536.633	3.804	1	70		KHIFRO
Cn1c(=O)ccc2cc(/C=C/C(=O)NCCCC[N@@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc21	ZINC000043683453	562650783	/nfs/dbraw/zinc/65/07/83/562650783.db2.gz	BNBJYVKSFPTBHW-BJMVGYQFSA-N	1	0	563.598	3.735	1	70		KHIFRO
COc1cccc(/C=C/C(=O)NCCCC[N@@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000044181676	562652488	/nfs/dbraw/zinc/65/24/88/562652488.db2.gz	IAMMMQJIUFFPMO-JXMROGBWSA-N	1	0	512.550	3.892	1	70		KHIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000044280749	562652950	/nfs/dbraw/zinc/65/29/50/562652950.db2.gz	HGDFHYACRYJXPN-UHFFFAOYSA-N	1	0	512.007	3.812	1	70		KHIFRO
CC(=O)N1CCC([NH+]2CCC(c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)CC2)CC1	ZINC000218175011	562877865	/nfs/dbraw/zinc/87/78/65/562877865.db2.gz	FFAMPRWCQVWOFX-RRAHZORUSA-N	1	0	572.754	3.702	1	70		KHIFRO