smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C[C@H](CN)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849790	775571827	/nfs/dbraw/zinc/57/18/27/775571827.db2.gz	QGGLWHMILRFVNI-CRAIPNDOSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@H](CN)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849790	775571834	/nfs/dbraw/zinc/57/18/34/775571834.db2.gz	QGGLWHMILRFVNI-CRAIPNDOSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@H](C[NH3+])CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849790	775571839	/nfs/dbraw/zinc/57/18/39/775571839.db2.gz	QGGLWHMILRFVNI-CRAIPNDOSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](CN)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849798	775571382	/nfs/dbraw/zinc/57/13/82/775571382.db2.gz	QGGLWHMILRFVNI-MAUKXSAKSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](CN)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849798	775571392	/nfs/dbraw/zinc/57/13/92/775571392.db2.gz	QGGLWHMILRFVNI-MAUKXSAKSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](C[NH3+])CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849798	775571401	/nfs/dbraw/zinc/57/14/01/775571401.db2.gz	QGGLWHMILRFVNI-MAUKXSAKSA-N	2	3	319.497	1.249	50	0		DDAAHP
C[NH+]1CCC(C[NH2+]C[C@@]2(O)CCCNC2)(c2ccccc2)CC1	ZINC000072430400	406882953	/nfs/dbraw/zinc/88/29/53/406882953.db2.gz	XEYQCMUZUMKXFV-LJQANCHMSA-N	2	3	317.477	1.354	50	0		DDAAHP
C[NH+]1CCC(CNC[C@@]2(O)CCC[NH2+]C2)(c2ccccc2)CC1	ZINC000072430400	406882955	/nfs/dbraw/zinc/88/29/55/406882955.db2.gz	XEYQCMUZUMKXFV-LJQANCHMSA-N	2	3	317.477	1.354	50	0		DDAAHP
Cn1cc(C[C@H](CN)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849799	775571944	/nfs/dbraw/zinc/57/19/44/775571944.db2.gz	QGGLWHMILRFVNI-QAPCUYQASA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@H](CN)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849799	775571950	/nfs/dbraw/zinc/57/19/50/775571950.db2.gz	QGGLWHMILRFVNI-QAPCUYQASA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@H](C[NH3+])CN2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849799	775571957	/nfs/dbraw/zinc/57/19/57/775571957.db2.gz	QGGLWHMILRFVNI-QAPCUYQASA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](CN)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849800	775571665	/nfs/dbraw/zinc/57/16/65/775571665.db2.gz	QGGLWHMILRFVNI-YJBOKZPZSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](CN)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849800	775571671	/nfs/dbraw/zinc/57/16/71/775571671.db2.gz	QGGLWHMILRFVNI-YJBOKZPZSA-N	2	3	319.497	1.249	50	0		DDAAHP
Cn1cc(C[C@@H](C[NH3+])CN2CCC[C@H](C3CC[NH2+]CC3)C2)cn1	ZINC000952849800	775571676	/nfs/dbraw/zinc/57/16/76/775571676.db2.gz	QGGLWHMILRFVNI-YJBOKZPZSA-N	2	3	319.497	1.249	50	0		DDAAHP
[NH3+]C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1c1ccccc1	ZINC000864096513	706066445	/nfs/dbraw/zinc/06/64/45/706066445.db2.gz	BVGDAJWUKQJRTH-ZACQAIPSSA-N	2	3	301.434	1.039	50	0		DDAAHP
C[NH+]1CCC(C[NH2+]C[C@]2(O)CCCNC2)(c2ccccc2)CC1	ZINC000072430399	406883263	/nfs/dbraw/zinc/88/32/63/406883263.db2.gz	XEYQCMUZUMKXFV-IBGZPJMESA-N	2	3	317.477	1.354	50	0		DDAAHP
C[NH+]1CCC(CNC[C@]2(O)CCC[NH2+]C2)(c2ccccc2)CC1	ZINC000072430399	406883266	/nfs/dbraw/zinc/88/32/66/406883266.db2.gz	XEYQCMUZUMKXFV-IBGZPJMESA-N	2	3	317.477	1.354	50	0		DDAAHP
[NH3+]C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1c1ccccc1	ZINC000864096512	706066345	/nfs/dbraw/zinc/06/63/45/706066345.db2.gz	BVGDAJWUKQJRTH-IKGGRYGDSA-N	2	3	301.434	1.039	50	0		DDAAHP