smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCCC(C=NNC(N)=[NH2+])=NNC(N)=[NH2+]	ZINC000252611016	352378440	/nfs/dbraw/zinc/37/84/40/352378440.db2.gz	IFZBXRCPYRHJPT-UHFFFAOYSA-N	2	0	256.314	-0.889	50	30		CBEARP
C[C@@H](O)C[NH+]1CCC(C[NH2+]CC(=O)NCCC#N)CC1	ZINC000071870993	372766863	/nfs/dbraw/zinc/76/68/63/372766863.db2.gz	OWUHNABZMLOYHG-GFCCVEGCSA-N	2	0	282.388	-0.301	50	30		CBEARP
C=CCNC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1	ZINC000071871541	372767319	/nfs/dbraw/zinc/76/73/19/372767319.db2.gz	JNWYVCUXSICZDG-UHFFFAOYSA-N	2	0	269.389	-0.075	50	30		CBEARP
COCCOCCCNC1=[NH+]CCN1C1=[NH+]CCN1	ZINC000096027920	523987945	/nfs/dbraw/zinc/98/79/45/523987945.db2.gz	HRNVAVQJCKZXLF-UHFFFAOYSA-N	2	0	269.349	-0.740	50	30		CBEARP
C[N@@H+](CC(=O)NCCC#N)CC1CC[NH+](CCO)CC1	ZINC000071871555	372765694	/nfs/dbraw/zinc/76/56/94/372765694.db2.gz	BCRFPRVXZVWIOS-UHFFFAOYSA-N	2	0	282.388	-0.348	50	30		CBEARP
[NH2+]=C(NCCN1CC[NH2+]CC1)NCc1ccco1	ZINC000058209146	372763728	/nfs/dbraw/zinc/76/37/28/372763728.db2.gz	DXGDUQKCNQWFLR-UHFFFAOYSA-N	2	0	251.334	-0.411	50	30		CBEARP
O=C(C[n+]1ccccc1)NCNC(=O)C[n+]1ccccc1	ZINC000003130617	527196225	/nfs/dbraw/zinc/19/62/25/527196225.db2.gz	SVBNCWTZCVBPKZ-UHFFFAOYSA-P	2	0	286.335	-0.848	50	30		CBEARP
C=CCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1	ZINC000071870941	372766915	/nfs/dbraw/zinc/76/69/15/372766915.db2.gz	WOHPNTZRAFLWRK-GFCCVEGCSA-N	2	0	269.389	-0.029	50	30		CBEARP
C[NH+](C)C1(CNC(=[NH2+])N2CCOCC2)CCOCC1	ZINC000252496856	352377720	/nfs/dbraw/zinc/37/77/20/352377720.db2.gz	PTCNFKFYYKRODP-UHFFFAOYSA-N	2	0	270.377	-0.256	50	30		CBEARP
C=CCNC(=O)C[NH2+]CC1CC[NH+](CCO)CC1	ZINC000075602786	351668032	/nfs/dbraw/zinc/66/80/32/351668032.db2.gz	ZXBMWHZEKBCTSQ-UHFFFAOYSA-N	2	0	255.362	-0.418	50	30		CBEARP
C[NH+](C)CCCNCCC[NH2+]CCCNC(=O)/C=N/O	ZINC000095115847	351768332	/nfs/dbraw/zinc/76/83/32/351768332.db2.gz	QHQKUPYSIJPWQD-SFQUDFHCSA-N	2	0	287.408	-0.526	50	30		CBEARP
C=CCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1	ZINC000071870940	372766677	/nfs/dbraw/zinc/76/66/77/372766677.db2.gz	WOHPNTZRAFLWRK-LBPRGKRZSA-N	2	0	269.389	-0.029	50	30		CBEARP
C[C@H](O)C[NH+]1CCC(C[NH2+]CC(=O)NCCC#N)CC1	ZINC000071870992	372767373	/nfs/dbraw/zinc/76/73/73/372767373.db2.gz	OWUHNABZMLOYHG-LBPRGKRZSA-N	2	0	282.388	-0.301	50	30		CBEARP
CN(CCC[NH2+]CCCNC(=O)/C=N/O)CC[NH+](C)C	ZINC000575442862	354935916	/nfs/dbraw/zinc/93/59/16/354935916.db2.gz	HAGASSMMUREROQ-FOWTUZBSSA-N	2	0	287.408	-0.574	50	30		CBEARP