smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCNc1ccc(NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000003921710	561685789	/nfs/dbraw/zinc/68/57/89/561685789.db2.gz	AZRNCSVMKZABML-ROUUACIJSA-N	4	0	612.732	-0.158	1	10		KBCFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026839338	561825301	/nfs/dbraw/zinc/82/53/01/561825301.db2.gz	PUDBTUSTUQILKK-PMACEKPBSA-N	4	0	608.700	-0.516	1	10		KBCFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026848397	561826907	/nfs/dbraw/zinc/82/69/07/561826907.db2.gz	PUDBTUSTUQILKK-BGYRXZFFSA-N	4	0	608.700	-0.516	1	10		KBCFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)[C@H]([NH3+])CCCC[NH3+])c2c1C(=O)c1ccccc1C2=O	ZINC000026848403	561826933	/nfs/dbraw/zinc/82/69/33/561826933.db2.gz	PUDBTUSTUQILKK-WOJBJXKFSA-N	4	0	608.700	-0.516	1	10		KBCFRP
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCC[NH2+]CCO)ccc(NCCNCC[NH2+]CCO)c21	ZINC000031440402	562036223	/nfs/dbraw/zinc/03/62/23/562036223.db2.gz	WWKQCZVDKOMIPL-UHFFFAOYSA-N	2	0	530.626	-0.960	1	10		KBCFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1C2=O	ZINC000042805027	562088983	/nfs/dbraw/zinc/08/89/83/562088983.db2.gz	WDBIIHTWBGAPNE-UIOOFZCWSA-N	4	0	636.754	-0.933	1	10		KBCFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1C2=O	ZINC000044308353	562654270	/nfs/dbraw/zinc/65/42/70/562654270.db2.gz	DUOFBYMNESGALY-UIOOFZCWSA-N	4	0	636.754	-0.933	1	10		KBCFRP
O=C1c2c(O)ccc(NCC[NH2+]CCO)c2C(=O)c2c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c21	ZINC000045288997	562660309	/nfs/dbraw/zinc/66/03/09/562660309.db2.gz	DIJSDOKNWPHSII-UHFFFAOYSA-N	3	0	530.626	-0.851	1	10		KBCFRP
[NH3+][C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000066252604	562714796	/nfs/dbraw/zinc/71/47/96/562714796.db2.gz	FSJRSCVHVYRBPB-VXKWHMMOSA-N	4	0	560.696	-0.079	1	10		KBCFRP
NC1(C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)C4(N)CC[NH2+]CC4)cc2C3=O)CC[NH2+]CC1	ZINC000103298897	562824859	/nfs/dbraw/zinc/82/48/59/562824859.db2.gz	LIUOCTVYXLNOTG-UHFFFAOYSA-N	2	0	632.722	-0.487	1	10		KBCFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000103298911	562824828	/nfs/dbraw/zinc/82/48/28/562824828.db2.gz	JEVCWLNPRYJDFF-DNQXCXABSA-N	4	0	608.700	-0.516	1	10		KBCFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000103298913	562824835	/nfs/dbraw/zinc/82/48/35/562824835.db2.gz	JEVCWLNPRYJDFF-PSWAGMNNSA-N	4	0	608.700	-0.516	1	10		KBCFRP
[NH3+]CCC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000103298915	562824832	/nfs/dbraw/zinc/82/48/32/562824832.db2.gz	JEVCWLNPRYJDFF-ZEQRLZLVSA-N	4	0	608.700	-0.516	1	10		KBCFRP
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc(N)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000473120761	562899376	/nfs/dbraw/zinc/89/93/76/562899376.db2.gz	PJRSFAQYDJPUHW-MLCQCVOFSA-N	2	0	549.717	-0.018	1	10		KBCFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H]([NH3+])CCCC[NH3+])cc1C2=O	ZINC000653727892	562909272	/nfs/dbraw/zinc/90/92/72/562909272.db2.gz	GYPAMPKNFPDEAE-DNQXCXABSA-N	4	0	608.700	-0.516	1	10		KBCFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1C2=O	ZINC000653727893	562909293	/nfs/dbraw/zinc/90/92/93/562909293.db2.gz	GYPAMPKNFPDEAE-PSWAGMNNSA-N	4	0	608.700	-0.516	1	10		KBCFRP
C[C@H](NC(=O)C1(N)CC[NH2+]CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C3(N)CC[NH2+]CC3)cc1C2=O	ZINC000653731218	562909527	/nfs/dbraw/zinc/90/95/27/562909527.db2.gz	LZKPQJTTYUISDJ-ROUUACIJSA-N	2	0	632.722	-0.490	1	10		KBCFRP
C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000653739750	562910115	/nfs/dbraw/zinc/91/01/15/562910115.db2.gz	KVXUWJPQBWSWGX-FLBGIQCYSA-N	4	0	608.700	-0.519	1	10		KBCFRP
C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000653739751	562910113	/nfs/dbraw/zinc/91/01/13/562910113.db2.gz	KVXUWJPQBWSWGX-QBGYIRFESA-N	4	0	608.700	-0.519	1	10		KBCFRP
C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C2=O	ZINC000653739752	562910106	/nfs/dbraw/zinc/91/01/06/562910106.db2.gz	KVXUWJPQBWSWGX-TWJSWXTQSA-N	4	0	608.700	-0.519	1	10		KBCFRP