smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(N)NC(=[NH2+])Nc1ccc2c(c1)OCCO2	ZINC000003615964	181187627	/nfs/dbraw/zinc/18/76/27/181187627.db2.gz	GCYKHYROZLTOAL-UHFFFAOYSA-N	1	3	235.247	-0.113	50	30		BBEAHO
N=C(NC(N)=[NH2+])Nc1ccc2c(c1)OCCO2	ZINC000003615964	181187625	/nfs/dbraw/zinc/18/76/25/181187625.db2.gz	GCYKHYROZLTOAL-UHFFFAOYSA-N	1	3	235.247	-0.113	50	30		BBEAHO
C[NH+](C)CCCC[NH2+]CCCNC(=O)/C=N\[O-]	ZINC000004996979	385286180	/nfs/dbraw/zinc/28/61/80/385286180.db2.gz	BSEMBRDCYNASJO-UVTDQMKNSA-N	1	3	244.339	-0.116	50	30		BBEAHO
CNC(=[NH2+])NC1CCN(CCOC)CC1	ZINC000058184990	398072189	/nfs/dbraw/zinc/07/21/89/398072189.db2.gz	WMOZDCQJYZJSON-UHFFFAOYSA-N	1	3	214.313	-0.369	50	30		BBEAHO
CNC(NC[C@@H]1CCN(CCOC)C1)=[NH+]C	ZINC000065440960	361566925	/nfs/dbraw/zinc/56/69/25/361566925.db2.gz	UDSUDMVZMBBTSK-JTQLQIEISA-N	1	3	228.340	-0.251	50	30		BBEAHO
CNC(NC[C@H]1CCN(CCOC)C1)=[NH+]C	ZINC000065440962	361567077	/nfs/dbraw/zinc/56/70/77/361567077.db2.gz	UDSUDMVZMBBTSK-SNVBAGLBSA-N	1	3	228.340	-0.251	50	30		BBEAHO
C#CCNC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000072289599	166175156	/nfs/dbraw/zinc/17/51/56/166175156.db2.gz	QAISBOHKKXAIBX-UHFFFAOYSA-N	1	3	240.351	-0.246	50	30		BBEAHO
CCOCCNC1=[NH+]CCN1C1=NCCN1	ZINC000096027903	170355455	/nfs/dbraw/zinc/35/54/55/170355455.db2.gz	IFCHMYKODLEYJV-UHFFFAOYSA-N	1	3	225.296	-0.757	50	30		BBEAHO
c1coc(CNC2=[NH+]CCN2C2=NCCN2)c1	ZINC000096027907	384421911	/nfs/dbraw/zinc/42/19/11/384421911.db2.gz	MDHPGYKJGKMFEO-UHFFFAOYSA-N	1	3	233.275	0.000	50	30		BBEAHO
c1coc(CNC2=NCCN2C2=[NH+]CCN2)c1	ZINC000096027907	384421904	/nfs/dbraw/zinc/42/19/04/384421904.db2.gz	MDHPGYKJGKMFEO-UHFFFAOYSA-N	1	3	233.275	0.000	50	30		BBEAHO
CNC(NC[C@@H]1CN2CCC[C@@H]2CO1)=[NH+]C	ZINC000097000897	173211397	/nfs/dbraw/zinc/21/13/97/173211397.db2.gz	KJIAQZMXWDQZSK-NXEZZACHSA-N	1	3	226.324	-0.356	50	30		BBEAHO
CNC(NC[C@@H]1CN2CCC[C@H]2CO1)=[NH+]C	ZINC000108456993	487829384	/nfs/dbraw/zinc/82/93/84/487829384.db2.gz	KJIAQZMXWDQZSK-VHSXEESVSA-N	1	3	226.324	-0.356	50	30		BBEAHO
Cc1nnc(CC(=[NH2+])N[C@@H]2CC[NH2+]C2)[n-]1	ZINC000170619036	397824598	/nfs/dbraw/zinc/82/45/98/397824598.db2.gz	OCVIOZVDMMDIBU-SSDOTTSWSA-N	1	3	208.269	-0.625	50	30		BBEAHO
Cc1nnc(CC(=[NH2+])N[C@H]2CC[NH2+]C2)[n-]1	ZINC000170619037	397824630	/nfs/dbraw/zinc/82/46/30/397824630.db2.gz	OCVIOZVDMMDIBU-ZETCQYMHSA-N	1	3	208.269	-0.625	50	30		BBEAHO
Cn1c(C=NNC(=N)N)c[n+]2ccccc12	ZINC000242648346	525397232	/nfs/dbraw/zinc/39/72/32/525397232.db2.gz	QTDVOSNJZZXXPC-UHFFFAOYSA-N	1	3	217.256	-0.419	50	30		BBEAHO