smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1	ZINC000217353960	569879910	/nfs/dbraw/zinc/87/99/10/569879910.db2.gz	MPSIKNFPTHKSLH-RBUKOAKNSA-N	1	0	478.549	1.556	40	70		JDIBRO
COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802107	569881677	/nfs/dbraw/zinc/88/16/77/569881677.db2.gz	BJZQPCNUIPWTJI-FDGPYGQJSA-N	1	0	451.454	1.420	40	70		JDIBRO
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1OC	ZINC000216819956	569879604	/nfs/dbraw/zinc/87/96/04/569879604.db2.gz	BHYZOULUXIKZNP-HXUWFJFHSA-N	1	0	461.584	1.804	40	70		JDIBRO
COc1cc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)ccc1O	ZINC000217367163	569879894	/nfs/dbraw/zinc/87/98/94/569879894.db2.gz	CYGAFVNTYRSCPJ-ZWKOTPCHSA-N	1	0	494.548	1.261	40	70		JDIBRO
CN1C(=O)N(C)C(=O)C(Cc2ccsc2)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O	ZINC000217382354	569879900	/nfs/dbraw/zinc/87/99/00/569879900.db2.gz	YNVVPCSYJMWAJB-DLBZAZTESA-N	1	0	454.552	1.608	40	70		JDIBRO
COc1ccccc1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000217365011	569879941	/nfs/dbraw/zinc/87/99/41/569879941.db2.gz	UFJWNEVJHFOPFC-PKOBYXMFSA-N	1	0	478.549	1.556	40	70		JDIBRO
Cc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)s1	ZINC000217374698	569879923	/nfs/dbraw/zinc/87/99/23/569879923.db2.gz	DWLXKOQMVRJJLM-DLBZAZTESA-N	1	0	468.579	1.917	40	70		JDIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	ZINC000043860801	563171254	/nfs/dbraw/zinc/17/12/54/563171254.db2.gz	RZQUGWGBCBNATD-UHFFFAOYSA-N	1	0	482.563	1.051	40	70		JDIBRO
CCOc1ccccc1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000217374181	569879907	/nfs/dbraw/zinc/87/99/07/569879907.db2.gz	GMIBECVEMZCFPO-AZUAARDMSA-N	1	0	492.576	1.946	40	70		JDIBRO
CN1C(=O)N(C)C(=O)C(Cc2ccc3c(c2)OCO3)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O	ZINC000217350727	569879931	/nfs/dbraw/zinc/87/99/31/569879931.db2.gz	WQFNWYOGGGSASB-ZWKOTPCHSA-N	1	0	492.532	1.276	40	70		JDIBRO
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)cc1OC	ZINC000216819920	569879579	/nfs/dbraw/zinc/87/95/79/569879579.db2.gz	BHYZOULUXIKZNP-FQEVSTJZSA-N	1	0	461.584	1.804	40	70		JDIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043833952	563171105	/nfs/dbraw/zinc/17/11/05/563171105.db2.gz	YHDJKTLEQBXTDA-UHFFFAOYSA-N	1	0	482.563	1.051	40	70		JDIBRO
COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=S)N(C)C2=O)cc1	ZINC000217387520	569880007	/nfs/dbraw/zinc/88/00/07/569880007.db2.gz	SHUOOWLTCWDLOT-RBUKOAKNSA-N	1	0	494.617	1.720	40	70		JDIBRO