smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N/N=C1\C2CN3CC1(c1ccc(N4C(=O)CCC4=O)cc1)C[N@@H+](C2)CC3	ZINC000103684245	488503299	/nfs/dbraw/zinc/50/32/99/488503299.db2.gz	YKFRMZVGHODWSH-DYTRJAOYSA-N	1	1	353.426	0.154	40	30		FCEBMO
C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ncn(C)n3)CCC[C@]2(C(=O)OCC)C1	ZINC000585108065	491719573	/nfs/dbraw/zinc/71/95/73/491719573.db2.gz	KNEIKSRIOIIZNZ-KDOFPFPSSA-N	1	1	361.446	0.718	40	30		FCEBMO
C[C@@H]1O[C@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N@@H+]3CC[C@@H](OC2=O)[C@@H]13	ZINC000104004808	209258539	/nfs/dbraw/zinc/25/85/39/209258539.db2.gz	IAPHXJRHXBQDQJ-RJBDXBTLSA-N	1	1	351.399	0.404	40	30		FCEBMO
C[C@@H]1O[C@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N@H+]3CC[C@@H](OC2=O)[C@@H]13	ZINC000104004808	209258541	/nfs/dbraw/zinc/25/85/41/209258541.db2.gz	IAPHXJRHXBQDQJ-RJBDXBTLSA-N	1	1	351.399	0.404	40	30		FCEBMO
COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H](NC(=O)c2ccc(C#N)cc2)[C@H]1O	ZINC000514288785	490768646	/nfs/dbraw/zinc/76/86/46/490768646.db2.gz	CYSJHWWLODXVLB-VSZNYVQBSA-N	1	1	359.426	0.527	40	30	biogenic,in-vitro	FCEBMO
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1	ZINC000408709556	526661375	/nfs/dbraw/zinc/66/13/75/526661375.db2.gz	TZQXGSGEIIFARR-UHFFFAOYSA-N	1	1	374.441	0.379	40	30		FCEBMO
O=C(CCn1ccc(=O)[nH]c1=O)NCC#CC[N@@H+]1CCc2ccccc2C1	ZINC000075164986	526671567	/nfs/dbraw/zinc/67/15/67/526671567.db2.gz	JNLYQDYQKLXXRJ-UHFFFAOYSA-N	1	1	366.421	0.105	40	30		FCEBMO
O=C(CCn1ccc(=O)[nH]c1=O)NCC#CC[N@H+]1CCc2ccccc2C1	ZINC000075164986	526671571	/nfs/dbraw/zinc/67/15/71/526671571.db2.gz	JNLYQDYQKLXXRJ-UHFFFAOYSA-N	1	1	366.421	0.105	40	30		FCEBMO
C[C@@H]1O[C@]12C[C@H](C)[C@](C)(O)C(=O)OCC1=CC[N@H+]3CC[C@@H](OC2=O)[C@@H]13	ZINC000085950749	488452654	/nfs/dbraw/zinc/45/26/54/488452654.db2.gz	IAPHXJRHXBQDQJ-ZGAPPBJXSA-N	1	1	351.399	0.404	40	30		FCEBMO
CCCC[N@@H+](C)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1O	ZINC000514289425	490768778	/nfs/dbraw/zinc/76/87/78/490768778.db2.gz	SZGWFARKJLDGEJ-YESZJQIVSA-N	1	1	367.471	0.697	40	30	biogenic,in-vitro	FCEBMO