smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(/C=N/N(C)C1=[NH+]CCCN1)=N\N(C)C1=[NH+]CCCN1	ZINC000016958772	351345290	/nfs/dbraw/zinc/34/52/90/351345290.db2.gz	SABMTXYYLPZPJE-XOBNHNQQSA-N	2	0	292.391	-0.090	40	30		CBEBRP
CCNC(=[NH+]CC)SCCSC(NCC)=[NH+]CC	ZINC000005217328	170076967	/nfs/dbraw/zinc/07/69/67/170076967.db2.gz	WYGWNTITPYRDEV-UHFFFAOYSA-N	2	0	292.518	-0.236	40	30		CBEBRP
CC(=NNC(N)=[NH2+])c1cccc(C(C)=NNC(N)=[NH2+])n1	ZINC000017120240	351346319	/nfs/dbraw/zinc/34/63/19/351346319.db2.gz	WUMBAJNOZBGXMF-MRQPLPDMSA-N	2	0	275.320	-0.504	40	30		CBEBRP
CC(/C=N\N(C)C1=[NH+]CCCN1)=N/N(C)C1=[NH+]CCCN1	ZINC000006006959	170168056	/nfs/dbraw/zinc/16/80/56/170168056.db2.gz	SABMTXYYLPZPJE-BJPQZVBLSA-N	2	0	292.391	-0.090	40	30		CBEBRP
OCC[NH2+]CCN=C1CCC(=NCC[NH2+]CCO)CC1	ZINC000019364770	256810307	/nfs/dbraw/zinc/81/03/07/256810307.db2.gz	KXKJZWIWYKQLFQ-UHFFFAOYSA-N	2	0	284.404	-0.394	40	30		CBEBRP
CC(/C=N/N(C)C1=[NH+]CCCN1)=N/N(C)C1=[NH+]CCCN1	ZINC000005502804	170104921	/nfs/dbraw/zinc/10/49/21/170104921.db2.gz	SABMTXYYLPZPJE-PAUOAVIZSA-N	2	0	292.391	-0.090	40	30		CBEBRP
C[n+]1ccc(/C=N/O)cc1C(=O)NCC[N+](C)(C)C	ZINC000000520350	351301163	/nfs/dbraw/zinc/30/11/63/351301163.db2.gz	MKLJIFWHSKDQSV-UHFFFAOYSA-P	2	0	266.345	-0.245	40	30		CBEBRP
C(C=NNC1=[NH+]CCCCN1)=NNC1=[NH+]CCCCN1	ZINC000018179072	351348197	/nfs/dbraw/zinc/34/81/97/351348197.db2.gz	VEHLEFMUUOFRLQ-BEQMOXJMSA-N	2	0	278.364	-0.384	40	30		CBEBRP
C(C=NNC1=[NH+]CCCCN1)=NNC1=[NH+]CCCCN1	ZINC000008665439	170344672	/nfs/dbraw/zinc/34/46/72/170344672.db2.gz	VEHLEFMUUOFRLQ-BUOZRGFLSA-N	2	0	278.364	-0.384	40	30		CBEBRP
CC1(C)C(N=NC(N)=[NH2+])C(C)(C)C1N=NC(N)=[NH2+]	ZINC000073258464	176463578	/nfs/dbraw/zinc/46/35/78/176463578.db2.gz	QDWZLSCOURVZKL-UHFFFAOYSA-N	2	0	252.326	-0.689	40	30		CBEBRP
CN(/N=C\C=N/N(C)C1=[NH+]CCCN1)C1=[NH+]CCCN1	ZINC000008665447	230370566	/nfs/dbraw/zinc/37/05/66/230370566.db2.gz	VJENDAJDWPDEKL-XFQWXJFMSA-N	2	0	278.364	-0.480	40	30		CBEBRP
C(C=NNC1=[NH+]CCCCN1)=NNC1=[NH+]CCCCN1	ZINC000104309836	351790316	/nfs/dbraw/zinc/79/03/16/351790316.db2.gz	VEHLEFMUUOFRLQ-XFQWXJFMSA-N	2	0	278.364	-0.384	40	30		CBEBRP
CC(=NNC(N)=[NH2+])c1cccc(C(C)=NNC(N)=[NH2+])n1	ZINC000017120243	351346704	/nfs/dbraw/zinc/34/67/04/351346704.db2.gz	WUMBAJNOZBGXMF-XQOBZHGLSA-N	2	0	275.320	-0.504	40	30		CBEBRP
CC(/C=N\N(C)C1=[NH+]CCCN1)=N\N(C)C1=[NH+]CCCN1	ZINC000017258552	351346881	/nfs/dbraw/zinc/34/68/81/351346881.db2.gz	SABMTXYYLPZPJE-OMYAATJGSA-N	2	0	292.391	-0.090	40	30		CBEBRP
CN(/N=C/C=N\N(C)C1=[NH+]CCCN1)C1=[NH+]CCCN1	ZINC000008665448	170344554	/nfs/dbraw/zinc/34/45/54/170344554.db2.gz	VJENDAJDWPDEKL-BUOZRGFLSA-N	2	0	278.364	-0.480	40	30		CBEBRP