smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000576510806	381853534	/nfs/dbraw/zinc/85/35/34/381853534.db2.gz	CECWKDIOQBOYDN-HNNXBMFYSA-N	1	3	340.428	-0.232	20	5		EBBDHO
CN(C)CCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000576510809	381852791	/nfs/dbraw/zinc/85/27/91/381852791.db2.gz	CECWKDIOQBOYDN-OAHLLOKOSA-N	1	3	340.428	-0.232	20	5		EBBDHO
C[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@H]1CNCCO1	ZINC001159500255	831757958	/nfs/dbraw/zinc/75/79/58/831757958.db2.gz	WTMKLGHPUJDZFW-GHMZBOCLSA-N	1	3	337.384	-0.417	20	5		EBBDHO
CCN1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001338450043	842802476	/nfs/dbraw/zinc/80/24/76/842802476.db2.gz	QDYPYSWJLJVOCP-CQSZACIVSA-N	1	3	326.401	-0.621	20	5		EBBDHO
O=[N+]([O-])c1c(-n2ncc3c2CCNC3)ncnc1N1CC[NH2+]CC1	ZINC001165218209	832207792	/nfs/dbraw/zinc/20/77/92/832207792.db2.gz	KMADZXSACAHHSZ-UHFFFAOYSA-N	1	3	330.352	-0.374	20	5		EBBDHO
C[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H]1CNCCO1	ZINC001159500258	831758334	/nfs/dbraw/zinc/75/83/34/831758334.db2.gz	WTMKLGHPUJDZFW-MNOVXSKESA-N	1	3	337.384	-0.417	20	5		EBBDHO
O=[N+]([O-])c1cnc(NCc2nnn3c2CNCCC3)nc1C1C[NH2+]C1	ZINC001155399569	831403578	/nfs/dbraw/zinc/40/35/78/831403578.db2.gz	AUOVXKXJNCBJMD-UHFFFAOYSA-N	1	3	345.367	-0.232	20	5		EBBDHO
CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000563140063	377417072	/nfs/dbraw/zinc/41/70/72/377417072.db2.gz	BLCFQISXIFAZQN-LSDHHAIUSA-N	1	3	341.412	-0.165	20	5		EBBDHO
Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)COCC[NH+](C)C	ZINC001171204926	832550364	/nfs/dbraw/zinc/55/03/64/832550364.db2.gz	IMLHJVGKFFWFSU-UHFFFAOYSA-N	1	3	342.400	-0.498	20	5		EBBDHO
CN1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C	ZINC000567701907	378185080	/nfs/dbraw/zinc/18/50/80/378185080.db2.gz	NTMGDTPTAFVSDF-AWEZNQCLSA-N	1	3	340.428	-0.232	20	5		EBBDHO
C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H]1CNCCO1	ZINC001159500259	831758091	/nfs/dbraw/zinc/75/80/91/831758091.db2.gz	WTMKLGHPUJDZFW-QWRGUYRKSA-N	1	3	337.384	-0.417	20	5		EBBDHO
CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000563140062	377417187	/nfs/dbraw/zinc/41/71/87/377417187.db2.gz	BLCFQISXIFAZQN-HUUCEWRRSA-N	1	3	341.412	-0.165	20	5		EBBDHO
CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000563140061	377417776	/nfs/dbraw/zinc/41/77/76/377417776.db2.gz	BLCFQISXIFAZQN-GJZGRUSLSA-N	1	3	341.412	-0.165	20	5		EBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000533184978	420930727	/nfs/dbraw/zinc/93/07/27/420930727.db2.gz	CZIBWEIRZJGJCO-UHFFFAOYSA-N	1	3	341.416	-0.074	20	5		EBBDHO
C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@H]1CNCCO1	ZINC001159500261	831757520	/nfs/dbraw/zinc/75/75/20/831757520.db2.gz	WTMKLGHPUJDZFW-WDEREUQCSA-N	1	3	337.384	-0.417	20	5		EBBDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597943320	378143655	/nfs/dbraw/zinc/14/36/55/378143655.db2.gz	XTCLKXMXQDRZTN-NSHDSACASA-N	1	3	327.389	-0.426	20	5		EBBDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597943320	378143662	/nfs/dbraw/zinc/14/36/62/378143662.db2.gz	XTCLKXMXQDRZTN-NSHDSACASA-N	1	3	327.389	-0.426	20	5		EBBDHO
CN1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C	ZINC000567701908	378185197	/nfs/dbraw/zinc/18/51/97/378185197.db2.gz	NTMGDTPTAFVSDF-CQSZACIVSA-N	1	3	340.428	-0.232	20	5		EBBDHO
CCN1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC001338450041	842802965	/nfs/dbraw/zinc/80/29/65/842802965.db2.gz	QDYPYSWJLJVOCP-AWEZNQCLSA-N	1	3	326.401	-0.621	20	5		EBBDHO
O=[N+]([O-])c1c(NCc2nnn3c2CNCCC3)ncnc1C1C[NH2+]C1	ZINC001162971524	832073748	/nfs/dbraw/zinc/07/37/48/832073748.db2.gz	HRKSCVHCWLYZDL-UHFFFAOYSA-N	1	3	345.367	-0.232	20	5		EBBDHO
CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000563140060	377417919	/nfs/dbraw/zinc/41/79/19/377417919.db2.gz	BLCFQISXIFAZQN-CABCVRRESA-N	1	3	341.412	-0.165	20	5		EBBDHO