smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000026643147	561806975	/nfs/dbraw/zinc/80/69/75/561806975.db2.gz	BNYYTPCHZVEEBD-QAETUUGQSA-N	-4	0	626.572	-1.722	1	10		KACFRL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](Cc1ccc(C(=O)C(=O)C(=O)OC)cc1)NC(C)=O)C(N)=O	ZINC000029403232	562020197	/nfs/dbraw/zinc/02/01/97/562020197.db2.gz	XYKVQJUEQOLJRT-OMLHYRJDSA-N	-2	0	691.691	-1.626	1	10		KACFRL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(C(=O)C(=O)C(=O)OC)cc1)NC(C)=O)C(N)=O	ZINC000029403236	562020185	/nfs/dbraw/zinc/02/01/85/562020185.db2.gz	XYKVQJUEQOLJRT-NYMCBPKFSA-N	-2	0	691.691	-1.626	1	10		KACFRL
CC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000029477425	562026652	/nfs/dbraw/zinc/02/66/52/562026652.db2.gz	JFGUNKYFNNQFNV-VABKMULXSA-N	-2	0	694.654	-1.133	1	10		KACFRL
CC(=O)N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000029477429	562026673	/nfs/dbraw/zinc/02/66/73/562026673.db2.gz	JFGUNKYFNNQFNV-VJBWXMMDSA-N	-2	0	694.654	-1.133	1	10		KACFRL
CC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000029477433	562026674	/nfs/dbraw/zinc/02/66/74/562026674.db2.gz	JFGUNKYFNNQFNV-ZRBLBEILSA-N	-2	0	694.654	-1.133	1	10		KACFRL
CC(=O)N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000029477437	562026661	/nfs/dbraw/zinc/02/66/61/562026661.db2.gz	JFGUNKYFNNQFNV-ZLNRFVROSA-N	-2	0	694.654	-1.133	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000029478885	562026901	/nfs/dbraw/zinc/02/69/01/562026901.db2.gz	GSUNVTRRYGIXEF-HJOGWXRNSA-N	-2	0	720.692	-1.246	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000049649398	562667872	/nfs/dbraw/zinc/66/78/72/562667872.db2.gz	UHMSUJPEDWLESW-HJOGWXRNSA-N	-2	0	720.692	-1.246	1	10		KACFRL
O=C([O-])C[C@H]1C(=O)O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](OC(=O)C(=O)c3cc(O)c(O)c4c3[C@H]1[C@@H](O)C(=O)O4)[C@H]2O	ZINC000070455328	560047346	/nfs/dbraw/zinc/04/73/46/560047346.db2.gz	AZTPRINHIPZIJE-OLWIIHLGSA-N	-2	0	528.375	-3.358	1	10	biogenic,in-vitro	KACFRL
O=C([O-])C(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(O)cc(C(=O)[O-])cc2C3=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000085532021	291618139	/nfs/dbraw/zinc/61/81/39/291618139.db2.gz	DQJNCXBYABUAPU-WTYIQBFZSA-N	-2	0	518.383	-1.320	1	10	biogenic,in-vitro	KACFRL
NC(=O)c1ncn([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1C=CC2=NC(N)=NC(=O)[C@@H]2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000095538333	562754696	/nfs/dbraw/zinc/75/46/96/562754696.db2.gz	CSRHKEPQMMBPFZ-VZWBOSKSSA-N	-4	0	817.662	-3.003	1	10		KACFRL
O=c1c2cc(O)c(O)cc2oc2cc([O-])c([C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])c(O)c12	ZINC000095572001	562769308	/nfs/dbraw/zinc/76/93/08/562769308.db2.gz	GUPOMMNJALSISH-PXHCZXJWSA-N	-5	0	742.598	-1.408	1	10		KACFRL
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904404	562798344	/nfs/dbraw/zinc/79/83/44/562798344.db2.gz	KLNGECIRRKCNNN-FWEHEUNISA-N	-2	0	820.813	-1.015	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904432	562798365	/nfs/dbraw/zinc/79/83/65/562798365.db2.gz	MENYUTGSUKTDAC-HJOGWXRNSA-N	-2	0	720.692	-1.246	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904433	562798373	/nfs/dbraw/zinc/79/83/73/562798373.db2.gz	WLIWRCAKUDRJTP-CQJMVLFOSA-N	-2	0	791.771	-1.612	1	10		KACFRL
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)NCC(=O)[O-]	ZINC000096904452	562798351	/nfs/dbraw/zinc/79/83/51/562798351.db2.gz	VOCXVZOOXOTJQF-FWEHEUNISA-N	-2	0	820.813	-1.015	1	10		KACFRL
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904584	562798394	/nfs/dbraw/zinc/79/83/94/562798394.db2.gz	VYIOVEGARNAUEB-FWEHEUNISA-N	-2	0	820.813	-1.015	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000096904622	562798439	/nfs/dbraw/zinc/79/84/39/562798439.db2.gz	UXHPGNCYNVWMBM-CQJMVLFOSA-N	-2	0	791.771	-1.612	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904623	562798428	/nfs/dbraw/zinc/79/84/28/562798428.db2.gz	KXZDCZJTUWNRSZ-CQJMVLFOSA-N	-2	0	791.771	-1.612	1	10		KACFRL
NC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000096904624	562798429	/nfs/dbraw/zinc/79/84/29/562798429.db2.gz	OSNSXJCEFKMYCZ-HJOGWXRNSA-N	-2	0	720.692	-1.246	1	10		KACFRL
CC(C)C[C@@H]1NC(=O)CN(CCc2ccc(O)c(O)c2)C(=O)CSC[C@H](C(N)=O)NC(=O)[C@H]([C@@H](C)OP(=O)([O-])[O-])NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O	ZINC000169300430	562852814	/nfs/dbraw/zinc/85/28/14/562852814.db2.gz	ZHJLNTHUOHLAFL-FBMTYVMNSA-N	-2	0	871.864	-3.373	1	10		KACFRL
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1=N[C@H]2C(=O)NC(N)=N[C@@H]2C=C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000169327673	562858135	/nfs/dbraw/zinc/85/81/35/562858135.db2.gz	CSRHKEPQMMBPFZ-OYRABJSYSA-N	-4	0	817.662	-3.003	1	10		KACFRL