smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)c1	ZINC000036740229	202331205	/nfs/dbraw/zinc/33/12/05/202331205.db2.gz	NTOKJWFWFNELKB-LJQANCHMSA-N	1	1	339.483	4.146	40	10		EICBMO
Cc1ccc(/C=C2\SC(=S)N(C[N@H+]3CCCC[C@H]3C)C2=O)cc1	ZINC000059474358	564050771	/nfs/dbraw/zinc/05/07/71/564050771.db2.gz	ZYVAHAXHOKXWBI-VQCBNXJZSA-N	1	1	346.521	4.028	40	10		EICBMO
Cc1ccc(/C=C2\SC(=S)N(C[N@@H+]3CCCC[C@H]3C)C2=O)cc1	ZINC000059474358	564050772	/nfs/dbraw/zinc/05/07/72/564050772.db2.gz	ZYVAHAXHOKXWBI-VQCBNXJZSA-N	1	1	346.521	4.028	40	10		EICBMO
Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079192229	563922888	/nfs/dbraw/zinc/92/28/88/563922888.db2.gz	FBWAJDPTFBTVBL-QKKBWIMNSA-N	1	1	341.451	4.208	40	10		EICBMO
Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2C)c1	ZINC000036740163	213115024	/nfs/dbraw/zinc/11/50/24/213115024.db2.gz	KWVAHXQYCJVZAF-UHFFFAOYSA-N	1	1	349.478	4.298	40	10		EICBMO
CC(C)c1cc(C[NH+]2CCCCC2)c([O-])c(C[NH+]2CCCCC2)c1	ZINC000001670290	563401744	/nfs/dbraw/zinc/40/17/44/563401744.db2.gz	CXQYDSSDDHUEAJ-UHFFFAOYSA-N	1	1	330.516	4.487	40	10		EICBMO
CCCc1cc(C[NH+]2CCCCC2)c([O-])c(C[NH+]2CCCCC2)c1O	ZINC000001701311	563405023	/nfs/dbraw/zinc/40/50/23/563405023.db2.gz	NOLJMEANOUVBMU-UHFFFAOYSA-N	1	1	346.515	4.022	40	10		EICBMO
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2O)s1	ZINC000043277866	563925651	/nfs/dbraw/zinc/92/56/51/563925651.db2.gz	JZUHOEVAXUHDMJ-UHFFFAOYSA-N	1	1	341.480	4.051	40	10		EICBMO
Cc1ccc(O)c(C[N@@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)c1	ZINC000036740228	213114146	/nfs/dbraw/zinc/11/41/46/213114146.db2.gz	NTOKJWFWFNELKB-IBGZPJMESA-N	1	1	339.483	4.146	40	10		EICBMO
Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(N(C)C)cc4)C3)nc2c1	ZINC000035446482	213028816	/nfs/dbraw/zinc/02/88/16/213028816.db2.gz	NNGSRGLIPNLASI-KRWDZBQOSA-N	1	1	335.451	4.192	40	10	biogenic,in-vitro	EICBMO
Cc1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)[nH+]1	ZINC000027644891	564044282	/nfs/dbraw/zinc/04/42/82/564044282.db2.gz	UMCBMHAVSLEJKI-IBGZPJMESA-N	1	1	331.375	4.438	40	10		EICBMO
Cc1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)[nH+]1	ZINC000027644884	564044247	/nfs/dbraw/zinc/04/42/47/564044247.db2.gz	UMCBMHAVSLEJKI-LJQANCHMSA-N	1	1	331.375	4.438	40	10		EICBMO
Cc1ccc(/C=C2\SC(=S)N(C[N@H+]3CCCC[C@@H]3C)C2=O)cc1	ZINC000059474356	564050761	/nfs/dbraw/zinc/05/07/61/564050761.db2.gz	ZYVAHAXHOKXWBI-HNDQUVLASA-N	1	1	346.521	4.028	40	10		EICBMO
Cc1ccc(/C=C2\SC(=S)N(C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1	ZINC000059474356	564050762	/nfs/dbraw/zinc/05/07/62/564050762.db2.gz	ZYVAHAXHOKXWBI-HNDQUVLASA-N	1	1	346.521	4.028	40	10		EICBMO
CCN(CC)c1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2)cc1	ZINC000001671990	563401656	/nfs/dbraw/zinc/40/16/56/563401656.db2.gz	OJXIDQSROUSXRW-UHFFFAOYSA-N	1	1	346.902	4.181	40	10		EICBMO
CC(C)c1ccc(/C=C2\SC(=S)N(C[NH+]3CCCC3)C2=O)cc1	ZINC000033286000	564050122	/nfs/dbraw/zinc/05/01/22/564050122.db2.gz	HDRVTBATPAAWSM-WJDWOHSUSA-N	1	1	346.521	4.065	40	10		EICBMO