smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1n[nH]cc1-c1nc2c([nH]1)C[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2	ZINC000217381188	351948053	/nfs/dbraw/zinc/94/80/53/351948053.db2.gz	IZVSZNIEPVLLKJ-GDNZZTSVSA-N	2	1	284.367	0.623	50	70		CCIAMP
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1	ZINC000217170958	351945230	/nfs/dbraw/zinc/94/52/30/351945230.db2.gz	HQDZOJHAGNAEHU-AWEZNQCLSA-N	2	1	291.399	0.513	50	70		CCIAMP
CCc1[nH+]ccn1CCC(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1OC	ZINC000218496837	351958980	/nfs/dbraw/zinc/95/89/80/351958980.db2.gz	GTKOFPIQIOOBQJ-STQMWFEESA-N	2	1	294.399	0.671	50	70		CCIAMP
CCc1[nH+]ccn1CCC(=O)N[C@H]1C[N@H+](CC)C[C@@H]1OC	ZINC000218496837	351958982	/nfs/dbraw/zinc/95/89/82/351958982.db2.gz	GTKOFPIQIOOBQJ-STQMWFEESA-N	2	1	294.399	0.671	50	70		CCIAMP
OCCC[N@H+](Cc1ccncc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217051148	351944554	/nfs/dbraw/zinc/94/45/54/351944554.db2.gz	UOSFVBQPZXFIIW-FICVDOATSA-N	2	1	261.369	0.731	50	70		CCIAMP
C[N@H+]1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1(C)C	ZINC000218585596	277112373	/nfs/dbraw/zinc/11/23/73/277112373.db2.gz	GMAZGJVOKVLSOF-UHFFFAOYSA-N	2	1	290.415	0.794	50	70		CCIAMP
CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1	ZINC000160366383	350699826	/nfs/dbraw/zinc/69/98/26/350699826.db2.gz	KSIDLGKATNSHHP-QWHCGFSZSA-N	2	1	253.390	0.914	50	70		CCIAMP
Cc1[nH+]ccn1CC(=O)N(C)CC1CC[NH+](CCO)CC1	ZINC000218007848	262345216	/nfs/dbraw/zinc/34/52/16/262345216.db2.gz	NCYDXYIOIWWGGK-UHFFFAOYSA-N	2	1	294.399	0.354	50	70		CCIAMP
Cn1cncc1C[N@@H+](C)CCCC[NH+]1CCOCC1	ZINC000217773087	262344374	/nfs/dbraw/zinc/34/43/74/262344374.db2.gz	BJLFSRLBEXGRFX-UHFFFAOYSA-N	2	1	266.389	0.964	50	70		CCIAMP
Nc1ncccc1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H](O)C1	ZINC000216937499	351943799	/nfs/dbraw/zinc/94/37/99/351943799.db2.gz	QHOBVWXIOVDRQG-HNNXBMFYSA-N	2	1	299.378	0.742	50	70		CCIAMP
COCC[N@H+](Cc1c(C)nn(C)c1C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217039849	351944184	/nfs/dbraw/zinc/94/41/84/351944184.db2.gz	KGOAHRBHZQVIKQ-FOLVSLTJSA-N	2	1	292.427	0.951	50	70		CCIAMP
CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1	ZINC000160366525	350699730	/nfs/dbraw/zinc/69/97/30/350699730.db2.gz	KSIDLGKATNSHHP-CHWSQXEVSA-N	2	1	253.390	0.914	50	70		CCIAMP