smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(-c2nonc2N)nc2c1c(OC[C@H]1CC[NH2+]C1)cnc2C#CC(C)(C)O	ZINC000040429678	581095477	/nfs/dbraw/zinc/09/54/77/581095477.db2.gz	ATYOXMQKXVJYSG-LBPRGKRZSA-N	1	0	411.466	1.194	1	30		HDEFRO
CCn1c(-c2nonc2N)nc2c1c(OC[C@@H]1CC[NH2+]C1)cnc2C#CC(C)(C)O	ZINC000040429676	581095402	/nfs/dbraw/zinc/09/54/02/581095402.db2.gz	ATYOXMQKXVJYSG-GFCCVEGCSA-N	1	0	411.466	1.194	1	30		HDEFRO
Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC000040914567	581093220	/nfs/dbraw/zinc/09/32/20/581093220.db2.gz	XAGGCSSAKUAKQZ-AJNGGQMLSA-N	1	0	407.515	1.645	1	30		HDEFRO
C=CC1=C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O	ZINC000004098640	291188397	/nfs/dbraw/zinc/18/83/97/291188397.db2.gz	LIEIOJNANXUNDT-XEUSKNNYSA-N	1	0	405.447	1.356	1	30	biogenic,in-vitro	HDEFRO
Cn1cc(-c2nc3cnc(N4CC[NH2+]CC4)nc3n(CCC#N)c2=O)c2ccccc21	ZINC000004238921	132273556	/nfs/dbraw/zinc/27/35/56/132273556.db2.gz	IUWLVODOLJPCEL-UHFFFAOYSA-N	1	0	414.473	1.668	1	30		HDEFRO
COc1ccc(NC(=O)CC(C)(C)[NH2+]CC(=O)N2C[C@@H](F)C[C@H]2C#N)cc1OC	ZINC000049036607	581096235	/nfs/dbraw/zinc/09/62/35/581096235.db2.gz	VQNOMKDKYPNXAG-ZFWWWQNUSA-N	1	0	406.458	1.863	1	30		HDEFRO
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)nc2cnn(CC(=O)c3ccccc3)c(=O)c21	ZINC000029045334	581094322	/nfs/dbraw/zinc/09/43/22/581094322.db2.gz	WUQZEVWHZRAQLY-QGZVFWFLSA-N	1	0	404.474	1.427	1	30		HDEFRO
CCn1c(-c2nonc2N)nc2c1c(OC1CC[NH2+]CC1)cnc2C#CC(C)(C)O	ZINC000040956511	581095450	/nfs/dbraw/zinc/09/54/50/581095450.db2.gz	OEMAOMXEFJMDSR-UHFFFAOYSA-N	1	0	411.466	1.337	1	30		HDEFRO
CNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](C=O)C[C@]32[C@H](C)CC1	ZINC000103524868	291194494	/nfs/dbraw/zinc/19/44/94/291194494.db2.gz	HTZWPAKRURQJIM-AMXXSAJSSA-N	1	0	400.523	1.828	1	30	biogenic,in-vitro	HDEFRO
CC#CCn1c(NCC[NH3+])nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21	ZINC000029044876	581092682	/nfs/dbraw/zinc/09/26/82/581092682.db2.gz	XQXLKLOWYXOIOJ-UHFFFAOYSA-N	1	0	402.462	1.287	1	30		HDEFRO
CC#CCn1c(N2CCC[C@H]([NH3+])C2)nc2cnn(Cc3nc4ccccc4o3)c(=O)c21	ZINC000029045173	581092676	/nfs/dbraw/zinc/09/26/76/581092676.db2.gz	LEVQHEFNAMEETG-HNNXBMFYSA-N	1	0	417.473	1.733	1	30		HDEFRO
CC#CCn1c(N2CCC[C@H]([NH3+])C2)nc2cnn(CC(=O)c3ccccc3)c(=O)c21	ZINC000029045337	581094213	/nfs/dbraw/zinc/09/42/13/581094213.db2.gz	WUQZEVWHZRAQLY-KRWDZBQOSA-N	1	0	404.474	1.427	1	30		HDEFRO
N#Cc1cnc(Nc2cc(N3CC[NH+](CCCN4CCOCC4)CC3)ncn2)s1	ZINC000028570553	581096591	/nfs/dbraw/zinc/09/65/91/581096591.db2.gz	GOEFOVAJSQGKCV-UHFFFAOYSA-N	1	0	414.539	1.393	1	30		HDEFRO
CCCOc1c2c(cc3oc([C@H](O)CCNC(N)=[NH2+])cc(=O)c31)O[C@H](C(C)(C)O)C2	ZINC000085594487	291192495	/nfs/dbraw/zinc/19/24/95/291192495.db2.gz	ARIAUDVYXMFTJF-PXAZEXFGSA-N	1	0	419.478	1.353	1	30	biogenic,in-vitro	HDEFRO
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1nnc(S(N)(=O)=O)s1	ZINC000013804372	581091303	/nfs/dbraw/zinc/09/13/03/581091303.db2.gz	LXQIIMCHLJPJFP-UHFFFAOYSA-O	1	0	404.497	1.396	1	30		HDEFRO
CNC1=[NH+]CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@H](O)C(C(=O)[O-])=C3C[C@@H]2[C@@]42CN1C=C[C@H]2C[NH2+]C	ZINC000103524801	291194520	/nfs/dbraw/zinc/19/45/20/291194520.db2.gz	ATVBHURSEZASLH-HEGNCMOMSA-N	1	0	424.545	1.038	1	30	biogenic,in-vitro	HDEFRO
COc1ccc(S(=O)(=O)N2C[C@@H]([NH2+]CCc3ccccc3)C[C@@H]2C(=O)NO)cc1	ZINC000013835721	581097607	/nfs/dbraw/zinc/09/76/07/581097607.db2.gz	KUEURUPTKRCKAQ-QFBILLFUSA-N	1	0	419.503	1.165	1	30		HDEFRO
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)nc2cnn(Cc3nc4ccccc4o3)c(=O)c21	ZINC000029045170	581092751	/nfs/dbraw/zinc/09/27/51/581092751.db2.gz	LEVQHEFNAMEETG-OAHLLOKOSA-N	1	0	417.473	1.733	1	30		HDEFRO
C[NH2+]CCNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(C=O)C[C@]32[C@H](C)CC1	ZINC000103524877	291194504	/nfs/dbraw/zinc/19/45/04/291194504.db2.gz	USBQJLWHZKRGGI-VRBKFZFXSA-N	1	0	416.522	1.087	1	30	biogenic,in-vitro	HDEFRO