smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	ZINC000254133057	717170314	/nfs/dbraw/zinc/17/03/14/717170314.db2.gz	SCXMPMHAJNIXOW-LJNMQGLUSA-N	1	0	332.376	0.822	1	5		ECBFRO
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([C@H]2CC[NH2+]C2)c1=O	ZINC000013759235	581101819	/nfs/dbraw/zinc/10/18/19/581101819.db2.gz	WLVMJRKGHNDTQI-VIFPVBQESA-N	1	0	342.315	0.318	1	5		ECBFRO
CC1(C)NC(=[NH2+])NC(=N)N1OCCCOc1ccc([N+](=O)[O-])cc1	ZINC000027307523	202153569	/nfs/dbraw/zinc/15/35/69/202153569.db2.gz	PMVMUICNPVSACZ-UHFFFAOYSA-N	1	0	336.352	0.976	1	5		ECBFRO
COCCOCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	ZINC000071295599	717133155	/nfs/dbraw/zinc/13/31/55/717133155.db2.gz	OCJDUJAXNGTWSQ-UHFFFAOYSA-N	1	0	349.448	0.211	1	5		ECBFRO
O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CC[NH2+]CCO	ZINC000028228205	212606073	/nfs/dbraw/zinc/60/60/73/212606073.db2.gz	OKFPGMZIJXMKNP-UHFFFAOYSA-N	1	0	329.312	0.926	1	5		ECBFRO
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5	ZINC000095558486	717138769	/nfs/dbraw/zinc/13/87/69/717138769.db2.gz	SCXMPMHAJNIXOW-LZIKIZBNSA-N	1	0	332.376	0.822	1	5		ECBFRO
COCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C	ZINC000071282095	717132975	/nfs/dbraw/zinc/13/29/75/717132975.db2.gz	KLTIOIOFRWQYJM-UHFFFAOYSA-O	1	0	337.437	0.115	1	5		ECBFRO
CC[N+]12CC[C@@H](O)[C@@H]1[C@@H](COC(=O)[C@@](O)(C(C)C)[C@H](C)O)CC2	ZINC000238761084	717162548	/nfs/dbraw/zinc/16/25/48/717162548.db2.gz	LZVGZPQOSMEHKD-JSZMDIEQSA-N	1	0	330.445	0.287	1	5		ECBFRO
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	ZINC000254133060	717170211	/nfs/dbraw/zinc/17/02/11/717170211.db2.gz	SCXMPMHAJNIXOW-UZNKZKJOSA-N	1	0	332.376	0.822	1	5		ECBFRO
C/C=C1/C[N+]2(C)CC[C@]3(O)c4ccccc4N4[C@@H](CO)[C@H]1C[C@H]2[C@@]43O	ZINC000013310813	560214256	/nfs/dbraw/zinc/21/42/56/560214256.db2.gz	CCFNQFGWBKGYLQ-RKQNVJMUSA-N	1	0	343.447	0.942	1	5	biogenic,in-vitro	ECBFRO
CN(CC[NH3+])S(=O)(=O)c1ccc(C(C)(C)[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000026843675	202149420	/nfs/dbraw/zinc/14/94/20/202149420.db2.gz	GRGPXGNOIUAWRG-UHFFFAOYSA-N	1	0	346.365	0.686	1	5		ECBFRO
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([C@@H]2CC[NH2+]C2)c1=O	ZINC000013759233	581101838	/nfs/dbraw/zinc/10/18/38/581101838.db2.gz	WLVMJRKGHNDTQI-SECBINFHSA-N	1	0	342.315	0.318	1	5		ECBFRO
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5	ZINC000095558485	717138810	/nfs/dbraw/zinc/13/88/10/717138810.db2.gz	SCXMPMHAJNIXOW-JIPQXYHZSA-N	1	0	332.376	0.822	1	5		ECBFRO
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(=O)NCCC(N)=[NH2+]	ZINC000029413199	212665444	/nfs/dbraw/zinc/66/54/44/212665444.db2.gz	JIHDZAANWKAGFW-UHFFFAOYSA-N	1	0	348.319	0.834	1	5		ECBFRO