smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1C[C@H]2[NH+]=C(N)NC(=[NH2+])[C@@H]2C[C@H]1C	34801957	581095110	/nfs/dbraw/zinc/09/51/10/581095110.db2.gz	KQNSOABYMIHDJR-ULAWRXDQSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@@H]1C[C@@H]2[NH+]=C(N)NC(=[NH2+])[C@H]2C[C@H]1C	58668708	581095137	/nfs/dbraw/zinc/09/51/37/581095137.db2.gz	KQNSOABYMIHDJR-NGJRWZKOSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@@H]2[NH+]=C(N)NC(=[NH2+])[C@@H]2C[C@@H]1C	26499517	581095158	/nfs/dbraw/zinc/09/51/58/581095158.db2.gz	KQNSOABYMIHDJR-HSNKUXOKSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@H]2C(=[NH2+])NC(N)=[NH+][C@H]2C[C@H]1C	26499514	581095160	/nfs/dbraw/zinc/09/51/60/581095160.db2.gz	KQNSOABYMIHDJR-OSMVPFSASA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@H]2[NH+]=C(N)NC(=[NH2+])[C@H]2C[C@H]1C	34801958	581095168	/nfs/dbraw/zinc/09/51/68/581095168.db2.gz	KQNSOABYMIHDJR-VGRMVHKJSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@H]2[NH+]=C(N)NC(=[NH2+])[C@@H]2C[C@@H]1C	26499522	581095193	/nfs/dbraw/zinc/09/51/93/581095193.db2.gz	KQNSOABYMIHDJR-RULNZFCNSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@@H]2C(=[NH2+])NC(N)=[NH+][C@@H]2C[C@@H]1C	34801959	581095196	/nfs/dbraw/zinc/09/51/96/581095196.db2.gz	KQNSOABYMIHDJR-DKXJUACHSA-N	2	0	194.282	1.142	1	0		ADAFRP
C[C@H]1C[C@H]2C(=[NH2+])NC(N)=[NH+][C@@H]2C[C@H]1C	26499520	581095231	/nfs/dbraw/zinc/09/52/31/581095231.db2.gz	KQNSOABYMIHDJR-LXGUWJNJSA-N	2	0	194.282	1.142	1	0		ADAFRP
CC(=[NH2+])Nc1ccc(C(N)=[NH2+])cc1	26716967	166230718	/nfs/dbraw/zinc/23/07/18/166230718.db2.gz	LMGVCGBIXRAELO-UHFFFAOYSA-N	2	0	176.223	1.380	1	0		ADAFRP
CC(=[NH2+])Nc1ccc(CC[NH3+])cc1	26722579	166231237	/nfs/dbraw/zinc/23/12/37/166231237.db2.gz	NLOXIKOOCOBSPW-UHFFFAOYSA-N	2	0	177.251	1.597	1	0		ADAFRP
CC[NH+](CC)CCc1cccc[n+]1C	40466826	167168348	/nfs/dbraw/zinc/16/83/48/167168348.db2.gz	XOFZDYOFUFUYNY-UHFFFAOYSA-N	2	0	193.314	1.395	1	0		ADAFRP
C[NH2+]Cc1ccc(NC(C)=[NH2+])cc1	26721879	168018835	/nfs/dbraw/zinc/01/88/35/168018835.db2.gz	SVYFDAGFKCPWHL-UHFFFAOYSA-N	2	0	177.251	1.815	1	0		ADAFRP
[NH3+]C[C@@H]1C[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@H]1C[NH3+]	100051364	169210471	/nfs/dbraw/zinc/21/04/71/169210471.db2.gz	ADDZHZUZVQDCOP-QUHKTUSISA-N	2	0	194.322	1.202	1	0		ADAFRP
[NH3+]C[C@H]1C[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@@H]1C[NH3+]	31490639	169217989	/nfs/dbraw/zinc/21/79/89/169217989.db2.gz	ADDZHZUZVQDCOP-OHUUWBQVSA-N	2	0	194.322	1.202	1	0		ADAFRP
[NH3+]C[C@H]1C[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@H]1C[NH3+]	100051360	169218109	/nfs/dbraw/zinc/21/81/09/169218109.db2.gz	ADDZHZUZVQDCOP-MCNAKINOSA-N	2	0	194.322	1.202	1	0		ADAFRP
C[NH+]1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1	26826130	171045704	/nfs/dbraw/zinc/04/57/04/171045704.db2.gz	LGMQKWYKBNHSOY-MNOVXSKESA-N	2	0	182.311	1.422	1	0		ADAFRP
C[NH+]1CC=C([C@@H]2CCC[N@H+]2C)CC1	27846430	171046651	/nfs/dbraw/zinc/04/66/51/171046651.db2.gz	FPYMUCXYWHQKRC-NSHDSACASA-N	2	0	180.295	1.343	1	0		ADAFRP
C[NH+]1CC=C([C@H]2CCC[N@H+]2C)CC1	27846438	171047032	/nfs/dbraw/zinc/04/70/32/171047032.db2.gz	FPYMUCXYWHQKRC-LLVKDONJSA-N	2	0	180.295	1.343	1	0		ADAFRP
[NH3+]C[C@H]1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C[C@H]1C[NH3+]	31490637	171048604	/nfs/dbraw/zinc/04/86/04/171048604.db2.gz	ADDZHZUZVQDCOP-DDYHOKDCSA-N	2	0	194.322	1.202	1	0		ADAFRP
C=C[n+]1ccc(-c2cc[n+](C)cc2)cc1	49045633	171094189	/nfs/dbraw/zinc/09/41/89/171094189.db2.gz	OJVQRGRXOXSCRD-UHFFFAOYSA-N	2	0	198.269	1.566	1	0		ADAFRP