smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	ZINC000013099036	717106876	/nfs/dbraw/zinc/10/68/76/717106876.db2.gz	HRFXSPJVCNUPQZ-IVZWLZJFSA-N	1	0	294.335	-0.336	1	5		CBBFRO
CO[C@H]1C[C@@H](SC[C@H]([NH3+])C(=O)[O-])C[N+](C)(C)C1	ZINC000238781022	717163777	/nfs/dbraw/zinc/16/37/77/717163777.db2.gz	BKWXJVXLDZWGJA-AEJSXWLSSA-O	1	0	263.383	-0.005	1	5		CBBFRO
C[N+]1(C)C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@]([N+](=O)[O-])(C2)C1	ZINC000004574431	300876480	/nfs/dbraw/zinc/87/64/80/300876480.db2.gz	BQPYHSCYMLFJJR-MNOVXSKESA-O	1	0	285.280	-0.687	2	5		CBBFRO
O=[P@]1(N2CC[N+]3(CCNCC3)CC2)NCCCO1	ZINC000040762361	174397156	/nfs/dbraw/zinc/39/71/56/174397156.db2.gz	DYNLLGDFEKZGNJ-GOSISDBHSA-N	1	0	275.313	-0.160	1	5		CBBFRO
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO)O1	ZINC000013099035	170531271	/nfs/dbraw/zinc/53/12/71/170531271.db2.gz	HRFXSPJVCNUPQZ-OPRDCNLKSA-N	1	0	294.335	-0.336	1	5		CBBFRO
C[N+]1(C)C[C@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C2)C1	ZINC000004574432	300876462	/nfs/dbraw/zinc/87/64/62/300876462.db2.gz	BQPYHSCYMLFJJR-WDEREUQCSA-O	1	0	285.280	-0.687	2	5		CBBFRO
O=[P@@]1(N2CC[N+]3(CCNCC3)CC2)NCCCO1	ZINC000040762363	174397110	/nfs/dbraw/zinc/39/71/10/174397110.db2.gz	DYNLLGDFEKZGNJ-SFHVURJKSA-N	1	0	275.313	-0.160	1	5		CBBFRO
COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[N+]2(C)C)cc1	ZINC000070455467	560047163	/nfs/dbraw/zinc/04/71/63/560047163.db2.gz	MJLGOTLLEZHECI-AAVRWANBSA-N	1	0	268.333	-0.091	1	5	biogenic,in-vitro	CBBFRO
C[N+](C)(C)CCNC(=O)c1nc(Cl)c(N)nc1N	ZINC000073197380	717134079	/nfs/dbraw/zinc/13/40/79/717134079.db2.gz	VODQFVDFOYFZEC-UHFFFAOYSA-O	1	0	273.748	-0.270	1	5		CBBFRO