smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H](C[NH2+]C1CCCCC1)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489371	562968579	/nfs/dbraw/zinc/96/85/79/562968579.db2.gz	XNCHDSXXZCIIGJ-RBUKOAKNSA-N	2	1	499.572	0.161	1	0		JCAFMP
COC(=O)[C@H](C[NH2+]C1CCCCC1)n1c(=O)n2n(c1=O)[C@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489372	562968541	/nfs/dbraw/zinc/96/85/41/562968541.db2.gz	XNCHDSXXZCIIGJ-OALUTQOASA-N	2	1	499.572	0.161	1	0		JCAFMP
COC(=O)[C@@H](C[NH2+]C1CCCCC1)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489373	562968596	/nfs/dbraw/zinc/96/85/96/562968596.db2.gz	XNCHDSXXZCIIGJ-RTBURBONSA-N	2	1	499.572	0.161	1	0		JCAFMP
COC(=O)[C@H](C[NH2+]C1CCCCC1)n1c(=O)n2n(c1=O)[C@@H](C(=O)NCc1ccc(N)[nH+]c1C)C=CC2	ZINC000013489374	562968558	/nfs/dbraw/zinc/96/85/58/562968558.db2.gz	XNCHDSXXZCIIGJ-MOPGFXCFSA-N	2	1	499.572	0.161	1	0		JCAFMP
C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(=O)NCC[NH+](C)C)[C@H](O)[C@@H]1O	ZINC000013676897	562983604	/nfs/dbraw/zinc/98/36/04/562983604.db2.gz	IRTHUSSBUWNSIG-DVHMWJAFSA-N	2	1	454.531	0.827	1	0		JCAFMP
Nc1[nH]cc([C@H]2[C@H](CNC(=O)c3ccc[nH]3)[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2c2c[nH]c(N)[nH+]2)[nH+]1	ZINC000014692262	563006291	/nfs/dbraw/zinc/00/62/91/563006291.db2.gz	GKTDJKRRZLVEPY-GWIYSAMLSA-N	2	1	462.518	0.927	1	0		JCAFMP
Nc1[nH]c([C@H]2[C@H](CNC(=O)c3ccc[nH]3)[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2c2c[nH]c(N)[nH+]2)c[nH+]1	ZINC000014692262	563006290	/nfs/dbraw/zinc/00/62/90/563006290.db2.gz	GKTDJKRRZLVEPY-GWIYSAMLSA-N	2	1	462.518	0.927	1	0		JCAFMP
[NH3+]CCOCCOCC[NH2+][C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000027993803	563054114	/nfs/dbraw/zinc/05/41/14/563054114.db2.gz	ZHYDNEMAJISDOR-PUKUCHAGSA-N	3	1	473.614	0.906	1	0		JCAFMP
O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CC[NH2+]CC2)CC1)c1cccc2c1OCCO2	ZINC000028335743	563059922	/nfs/dbraw/zinc/05/99/22/563059922.db2.gz	SOTGMDWAHFUQPD-UHFFFAOYSA-N	2	1	466.604	0.525	1	0		JCAFMP
CCN(CC)c1nc2c(nc(SCC(=O)NCC[NH3+])n2CCC[NH+]2CCOCC2)c(C)n1	ZINC000040836288	563149026	/nfs/dbraw/zinc/14/90/26/563149026.db2.gz	CZERMKLIJOSCAJ-UHFFFAOYSA-N	2	1	464.640	0.870	1	0		JCAFMP
COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC(=O)COc1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1	ZINC000040954460	563160550	/nfs/dbraw/zinc/16/05/50/563160550.db2.gz	QDMCURAADJMMLZ-INIZCTEOSA-N	2	1	462.551	0.995	1	0		JCAFMP
CC(C)(C)c1nc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)c[nH]1	ZINC000045284047	563183512	/nfs/dbraw/zinc/18/35/12/563183512.db2.gz	JHTNJOAXCGGUCE-ROUUACIJSA-N	2	1	456.595	0.641	1	0		JCAFMP
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1	ZINC000045287107	563184117	/nfs/dbraw/zinc/18/41/17/563184117.db2.gz	BFGIOSXIBISUPC-VJYSTVOCSA-N	2	1	459.595	0.668	1	0		JCAFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c(C2CCC2)n1)C(=O)NCc1ccccc1	ZINC000045290698	563184989	/nfs/dbraw/zinc/18/49/89/563184989.db2.gz	LXIDOTNBMGTCAJ-OALUTQOASA-N	2	1	454.579	0.611	1	0		JCAFMP