smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(N)=[NH2+])c1cnc(N=NC(C)c2c[nH+]c(NN)nc2C)nc1C	ZINC000104241936	488504242	/nfs/dbraw/zinc/50/42/42/488504242.db2.gz	WCBDPEPNIIYFQK-BCTCXFRGSA-N	2	0	370.425	0.212	40	30		FCEBRP
C[NH+]1CCCN(CCC#N)CC[N@H+](C)CCCN(CCC(N)=O)CC1	ZINC000068606252	488368291	/nfs/dbraw/zinc/36/82/91/488368291.db2.gz	UCCDESQWDMSOKU-UHFFFAOYSA-N	2	0	352.527	0.037	40	30		FCEBRP
CN(C)/C=C(/C=[N+](C)C)c1n[nH]c(/C(C=[N+](C)C)=C/N(C)C)c1[N+](=O)[O-]	ZINC000105727752	209268135	/nfs/dbraw/zinc/26/81/35/209268135.db2.gz	UUGPFMXRLMWUGZ-UHFFFAOYSA-N	2	0	363.466	0.809	40	30		FCEBRP
CC(=NNC(N)=[NH2+])c1cnc(N=NC(C)c2c[nH+]c(NN)nc2C)nc1C	ZINC000017142392	487597118	/nfs/dbraw/zinc/59/71/18/487597118.db2.gz	WCBDPEPNIIYFQK-OPIBOAQXSA-N	2	0	370.425	0.212	40	30		FCEBRP
[NH3+]CCC(=O)N1CCCC1C(=O)N=C(CC[NH3+])C(=O)NCc1ccccc1	ZINC001560405149	1269202910	/nfs/dbraw/zinc/20/29/10/1269202910.db2.gz	BSIZRXIQUAIZFV-FDJHBVAISA-N	2	0	373.457	0.791	40	30		FCEBRP
CC(=NNC(N)=[NH2+])c1cnc(N=NC(C)c2c[nH+]c(NN)nc2C)nc1C	ZINC000016941948	211174101	/nfs/dbraw/zinc/17/41/01/211174101.db2.gz	WCBDPEPNIIYFQK-HGELYGIESA-N	2	0	370.425	0.212	40	30		FCEBRP
CC(=NNC(N)=[NH2+])c1cnc(N=NC(C)c2c[nH+]c(NN)nc2C)nc1C	ZINC000104241930	222353689	/nfs/dbraw/zinc/35/36/89/222353689.db2.gz	WCBDPEPNIIYFQK-QNSJPTDDSA-N	2	0	370.425	0.212	40	30		FCEBRP
[NH3+]CCC(=O)N1CCCC1C(=O)N=C(CC[NH3+])C(=O)NCc1ccccc1	ZINC001560405150	1269202068	/nfs/dbraw/zinc/20/20/68/1269202068.db2.gz	BSIZRXIQUAIZFV-FJQCGIJYSA-N	2	0	373.457	0.791	40	30		FCEBRP
C[N+](C)(C)CCCC[N+](C)(C)CCC[N+](C)(C)CCCNC(=O)/C=N/O	ZINC000097965947	222217696	/nfs/dbraw/zinc/21/76/96/222217696.db2.gz	ZIISBMMYZVSPAT-UHFFFAOYSA-P	3	0	374.594	0.982	40	30		FCEBRP