smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	ZINC000012483833	220000331	/nfs/dbraw/zinc/00/03/31/220000331.db2.gz	XRCGGCWBYTYPPG-DGXTUMSLSA-N	1	0	362.386	-0.231	40	30	biogenic,in-vitro	FBEBRO
C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CCC(N)=O)c2ccccc2NC1=O	ZINC000016026456	210146311	/nfs/dbraw/zinc/14/63/11/210146311.db2.gz	JGTYMOHQNZJJJV-VFSPDHHESA-N	1	0	368.393	-0.142	40	30		FBEBRO
C=CCN1C(=O)[C@H]2[C@@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000016026457	210146765	/nfs/dbraw/zinc/14/67/65/210146765.db2.gz	JGTYMOHQNZJJJV-CTYUOQFJSA-N	1	0	368.393	-0.142	40	30		FBEBRO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)[N@H+]1C	ZINC000022922447	483448712	/nfs/dbraw/zinc/44/87/12/483448712.db2.gz	FDZNVYQQDGPWAZ-VBQJREDUSA-N	1	0	358.446	-0.688	40	30	biogenic,in-vitro	FBEBRO
CCOC(=O)[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000044460316	483632024	/nfs/dbraw/zinc/63/20/24/483632024.db2.gz	FQJRPNXNFXYTHZ-WOPDTQHZSA-N	1	0	372.426	-0.620	40	30		FBEBRO
N#Cc1cccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)c1	ZINC000077265060	484597672	/nfs/dbraw/zinc/59/76/72/484597672.db2.gz	WHZYLGJNCAGDPQ-ZACQAIPSSA-N	1	0	360.414	-0.182	40	30	biogenic,in-vitro	FBEBRO
CCOC(=O)[C@@H]1C[C@H](C)CCN1C(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000095496257	483823328	/nfs/dbraw/zinc/82/33/28/483823328.db2.gz	FQJRPNXNFXYTHZ-UTUOFQBUSA-N	1	0	372.426	-0.620	40	30		FBEBRO
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000101232420	222266507	/nfs/dbraw/zinc/26/65/07/222266507.db2.gz	JGTYMOHQNZJJJV-NFWAQSGPSA-N	1	0	368.393	-0.142	40	30		FBEBRO
CC#CCn1c2c(nc1N1CCC[C@@H]([NH3+])C1)n(C)c(=O)n(CC#CC)c2=O	ZINC000299754509	519347272	/nfs/dbraw/zinc/34/72/72/519347272.db2.gz	AVKIRALPCZAFAS-CQSZACIVSA-N	1	0	368.441	-0.129	40	30		FBEBRO