smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc(OC)c1OC	ZINC000072104755	191037236	/nfs/dbraw/zinc/03/72/36/191037236.db2.gz	BWICFPOYCOQXCJ-UHFFFAOYSA-N	2	0	321.381	0.894	1	0		DCAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc1cnc2ccccc2c1	ZINC000103239272	185440201	/nfs/dbraw/zinc/44/02/01/185440201.db2.gz	NNLXPVRUGCWFGM-LBPRGKRZSA-N	2	0	300.366	0.764	1	0		DCAFRP
CC[C@H]([NH3+])COc1nc2c(ncn2C(C)C)c(NC(N)=[NH2+])n1	ZINC000095589145	185381880	/nfs/dbraw/zinc/38/18/80/185381880.db2.gz	OJNJHTYAWHGSHZ-QMMMGPOBSA-N	2	0	306.374	0.829	1	0		DCAFRP
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1c1cc(CC)[nH+]c(N(C)C)n1	ZINC000091964500	193133439	/nfs/dbraw/zinc/13/34/39/193133439.db2.gz	OANMKNXBOUSENG-JQWIXIFHSA-N	2	0	306.414	0.147	1	0		DCAFRP
[NH3+]CC[C@@H](C[NH3+])OCc1ccc(CO[C@H](C[NH3+])CC[NH3+])cc1	ZINC000013553199	181861249	/nfs/dbraw/zinc/86/12/49/181861249.db2.gz	VOLTVTQCXVXOAP-HOTGVXAUSA-N	4	0	310.442	0.072	1	0		DCAFRP
CC[NH+](CC)CCCNS(=O)(=O)NCCC[NH+](CC)CC	ZINC000066260069	184399118	/nfs/dbraw/zinc/39/91/18/184399118.db2.gz	KSMHQPVLJPESOT-UHFFFAOYSA-N	2	0	322.519	0.874	1	0		DCAFRP
CC[C@@H]([NH3+])COc1nc2c(ncn2C(C)C)c(NC(N)=[NH2+])n1	ZINC000095590040	185381872	/nfs/dbraw/zinc/38/18/72/185381872.db2.gz	OJNJHTYAWHGSHZ-MRVPVSSYSA-N	2	0	306.374	0.829	1	0		DCAFRP
COCCNc1cc(OCC[NH+](C)C)nc(OCCC[NH3+])n1	ZINC000040879865	183146511	/nfs/dbraw/zinc/14/65/11/183146511.db2.gz	VFVJDEUDXQVENU-UHFFFAOYSA-N	2	0	313.402	0.203	1	0		DCAFRP
c1ccc(CCC2CNCC[NH2+]CCCNCC[NH2+]C2)nc1	ZINC000040641533	183113551	/nfs/dbraw/zinc/11/35/51/183113551.db2.gz	DRZFFJKEQWUEGB-UHFFFAOYSA-N	2	0	305.470	0.393	1	0		DCAFRP
CC(C)n1cnc2c1nc(OC[C@H]1CCC[NH2+]1)nc2NC(N)=[NH2+]	ZINC000095589972	185382099	/nfs/dbraw/zinc/38/20/99/185382099.db2.gz	KGKVLKDXPJRNHF-SECBINFHSA-N	2	0	318.385	0.843	1	0		DCAFRP
NC(=[NH2+])NCCC[C@@H]([NH2+]Cc1c[nH]c2ccccc12)C(N)=O	ZINC000025986869	182427602	/nfs/dbraw/zinc/42/76/02/182427602.db2.gz	FFEMNDCABCQPCS-CYBMUJFWSA-N	2	0	302.382	0.375	1	0		DCAFRP
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@@H]([NH3+])[C@@H]3O5	ZINC000029399592	182564468	/nfs/dbraw/zinc/56/44/68/182564468.db2.gz	KMVAXAKRXABEMD-BGMJHJHJSA-N	2	0	302.374	0.503	1	0		DCAFRP