smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[NH3+]	ZINC000026955647	171504164	/nfs/dbraw/zinc/50/41/64/171504164.db2.gz	YYHFVFRYTCDWEX-VYMRPNJYSA-N	2	0	264.372	2.427	1	0		CEAFRP
CO[C@@H](c1ccccc1)C1C2C[NH+](C)CC1C[NH+](C)C2	ZINC000026247213	171476033	/nfs/dbraw/zinc/47/60/33/171476033.db2.gz	KVUNNFLLHKJURP-GZUIOVLMSA-N	2	0	274.408	2.114	1	0		CEAFRP
C[NH2+]CCOc1ccc2c(c1)NC(=[NH2+])[C@@H]1CCC[C@H]21	ZINC000013490264	170555740	/nfs/dbraw/zinc/55/57/40/170555740.db2.gz	PLBWIRXKFZVFAB-DGCLKSJQSA-N	2	0	259.353	2.171	1	0		CEAFRP
Cc1ccc(CN2C(=[NH2+])NC(=[NH2+])NC23CCCCC3)cc1	ZINC000072105299	176316234	/nfs/dbraw/zinc/31/62/34/176316234.db2.gz	BDNRVOYBOJHMQE-UHFFFAOYSA-N	2	0	285.395	2.100	1	0		CEAFRP
Cn1c(-c2ccc(C(N)=[NH2+])cc2)cc2cc(C(N)=[NH2+])ccc21	ZINC000043023813	174945256	/nfs/dbraw/zinc/94/52/56/174945256.db2.gz	CSDRIDHCPBAEOP-UHFFFAOYSA-N	2	0	291.358	2.413	1	0		CEAFRP
[NH3+]CCCC1(CCC[NH3+])CCc2cccc(O)c2C1	ZINC000027553810	171520673	/nfs/dbraw/zinc/52/06/73/171520673.db2.gz	YMYPUTRJEDYPAQ-UHFFFAOYSA-N	2	0	262.397	2.345	1	0		CEAFRP
C[NH+](C)CCCOc1ccc(CC[NH+](C)C)cc1	ZINC000028570195	171564362	/nfs/dbraw/zinc/56/43/62/171564362.db2.gz	DXZMBOOTLSIFGN-UHFFFAOYSA-N	2	0	250.386	2.121	1	0	in-vivo	CEAFRP
C[NH2+][C@@H]1CCN(c2cc(N)[nH+]c(NCc3ccccc3)c2)C1	ZINC000071340469	176130328	/nfs/dbraw/zinc/13/03/28/176130328.db2.gz	RSADFFRMVWZCLP-CQSZACIVSA-N	2	0	297.406	2.074	1	0		CEAFRP
CC[n+]1ccc(C[n+]2ccccc2)c2ccccc21	ZINC000004713929	170004424	/nfs/dbraw/zinc/00/44/24/170004424.db2.gz	UGKOUAPZGVPXNR-UHFFFAOYSA-N	2	0	250.345	2.483	3	0		CEAFRP
[NH2+]=C1NC(=[NH2+])N(Cc2ccc(Cl)cc2)C2(CCCC2)N1	ZINC000072105516	176316559	/nfs/dbraw/zinc/31/65/59/176316559.db2.gz	ACILIJSYIKOCET-UHFFFAOYSA-N	2	0	291.786	2.055	1	0		CEAFRP
[NH3+]CCCOc1c(Cl)cc(CC[NH3+])cc1Cl	ZINC000027896300	518197446	/nfs/dbraw/zinc/19/74/46/518197446.db2.gz	QPUQPZNWZXHDRV-UHFFFAOYSA-N	2	0	263.168	2.222	1	0		CEAFRP
[NH3+]CCCCc1ccc(CCCC[NH2+]CCC[NH3+])s1	ZINC000028652620	171569869	/nfs/dbraw/zinc/56/98/69/171569869.db2.gz	IJSORLVBZCNNPT-UHFFFAOYSA-N	3	0	283.485	2.291	1	0		CEAFRP
COc1ncccc1CN1C[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C1	ZINC000299842660	333187709	/nfs/dbraw/zinc/18/77/09/333187709.db2.gz	IHHZVKZFKKBQFJ-ZBFHGGJFSA-N	2	0	289.423	2.252	1	0		CEAFRP
CC(C)=CCC/C(C)=C/C(=O)NCCC[NH2+]CCC[NH3+]	ZINC000095585874	185013077	/nfs/dbraw/zinc/01/30/77/185013077.db2.gz	LZQMFEBJIYNRAQ-FYWRMAATSA-N	2	0	281.444	2.124	1	0		CEAFRP
[NH2+]=C(NCCC[NH+]1CCCC1)NCc1ccc(Cl)cc1	ZINC000013809053	170596810	/nfs/dbraw/zinc/59/68/10/170596810.db2.gz	UAGFAWSWGVBOFP-UHFFFAOYSA-N	2	0	294.830	2.440	1	0		CEAFRP
CC1(C)NC(=[NH2+])NC(=[NH2+])[C@@H]1c1ccc(Cl)cc1	ZINC000045210926	175328968	/nfs/dbraw/zinc/32/89/68/175328968.db2.gz	ASVVQWHFKGKOHL-VIFPVBQESA-N	2	0	250.733	2.307	1	0		CEAFRP
Cc1ccc(CN2C(=[NH2+])NC(=[NH2+])NC23CCCCCC3)cc1	ZINC000072106550	176316201	/nfs/dbraw/zinc/31/62/01/176316201.db2.gz	YJDQYRGLRCNTPN-UHFFFAOYSA-N	2	0	299.422	2.491	1	0		CEAFRP
CC1(C)NC(=[NH2+])NC(=[NH2+])[C@H]1c1ccc(Cl)cc1	ZINC000045210921	175328707	/nfs/dbraw/zinc/32/87/07/175328707.db2.gz	ASVVQWHFKGKOHL-SECBINFHSA-N	2	0	250.733	2.307	1	0		CEAFRP
c1cc2c(cc1OCC[NH+]1CCCCC1)CC[NH2+]CC2	ZINC000038816085	174156042	/nfs/dbraw/zinc/15/60/42/174156042.db2.gz	KWEZWIYXNRSXFQ-UHFFFAOYSA-N	2	0	274.408	2.240	1	0		CEAFRP
NC(=[NH2+])c1ccc(-c2cc3ccc(C(N)=[NH2+])cn3c2)cc1	ZINC000169318165	188657315	/nfs/dbraw/zinc/65/73/15/188657315.db2.gz	CPOSARSRRJROGR-UHFFFAOYSA-N	2	0	277.331	2.174	1	0		CEAFRP
CCCCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000001575021	560182467	/nfs/dbraw/zinc/18/24/67/560182467.db2.gz	PCJOVXVEEYNISX-UHFFFAOYSA-N	2	0	273.384	2.215	1	0	in-vitro	CEAFRP
NC(=[NH2+])c1ccc(C2=Cc3ccc(C(N)=[NH2+])cc3C2)cc1	ZINC000027880909	171536216	/nfs/dbraw/zinc/53/62/16/171536216.db2.gz	KMRREDJDPNDZJC-UHFFFAOYSA-N	2	0	276.343	2.351	1	0		CEAFRP