smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3C[N@@H+](C)CC2	ZINC000028108127	202165053	/nfs/dbraw/zinc/16/50/53/202165053.db2.gz	SMWRVQMZVOVXSA-AWEZNQCLSA-N	1	1	342.414	3.566	1	10		EHCFMO
CCC1C(=O)[n+]2c3ccccc3sc2N(CC2CCCCC2)C1=O	ZINC000101336231	204004931	/nfs/dbraw/zinc/00/49/31/204004931.db2.gz	DSAFEZWPXHHTBJ-CQSZACIVSA-N	1	1	343.472	3.782	1	10		EHCFMO
CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)[NH2+]1	ZINC000102864463	204053172	/nfs/dbraw/zinc/05/31/72/204053172.db2.gz	SZHICFXLANQKCX-UZLBHIALSA-N	1	1	338.407	3.522	1	10		EHCFMO
CC1(C)C[C@@]2(C[N@@H+](Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079534	202287063	/nfs/dbraw/zinc/28/70/63/202287063.db2.gz	SONFQCBNQQMLEZ-OAQYLSRUSA-N	1	1	338.451	3.558	1	10		EHCFMO
CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)[NH2+]1	ZINC000102864465	204053525	/nfs/dbraw/zinc/05/35/25/204053525.db2.gz	SZHICFXLANQKCX-OXQOHEQNSA-N	1	1	338.407	3.522	1	10		EHCFMO
CC1(C)C[C@]2(C[N@@H+](Cc3ccc(N)cc3)CCO2)c2ccccc2O1	ZINC000035079535	213007038	/nfs/dbraw/zinc/00/70/38/213007038.db2.gz	SONFQCBNQQMLEZ-NRFANRHFSA-N	1	1	338.451	3.558	1	10		EHCFMO
CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)[NH2+]1	ZINC000102864461	219236945	/nfs/dbraw/zinc/23/69/45/219236945.db2.gz	SZHICFXLANQKCX-OXJNMPFZSA-N	1	1	338.407	3.522	1	10		EHCFMO
Oc1ccc2oc(Cc3ccccc3)cc2c1C[N@@H+]1CCC[C@@H](O)C1	ZINC000103262344	219279184	/nfs/dbraw/zinc/27/91/84/219279184.db2.gz	VPTGOCFZLJQIOT-MRXNPFEDSA-N	1	1	337.419	3.686	1	10		EHCFMO
Oc1ccc2oc(Cc3ccccc3)cc2c1C[N@@H+]1CCC[C@H](O)C1	ZINC000103262342	219279277	/nfs/dbraw/zinc/27/92/77/219279277.db2.gz	VPTGOCFZLJQIOT-INIZCTEOSA-N	1	1	337.419	3.686	1	10		EHCFMO
C[N@H+]1CCCN(c2nc3c(c4ccccc42)C(=O)c2ccccc2-3)CC1	ZINC000066079462	215008105	/nfs/dbraw/zinc/00/81/05/215008105.db2.gz	ZZQVDMATRWQNJM-UHFFFAOYSA-N	1	1	343.430	3.588	1	10		EHCFMO
C[N@@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074308	215006598	/nfs/dbraw/zinc/00/65/98/215006598.db2.gz	SMRWXTZCUTYMQO-MRXNPFEDSA-N	1	1	343.398	3.588	1	10		EHCFMO
C[N@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074308	215006600	/nfs/dbraw/zinc/00/66/00/215006600.db2.gz	SMRWXTZCUTYMQO-MRXNPFEDSA-N	1	1	343.398	3.588	1	10		EHCFMO
CCCOc1cc2c3c(c1)-c1c(O)c(O)ccc1C[C@H]3[N@H+](C)CC2	ZINC000040877998	213395653	/nfs/dbraw/zinc/39/56/53/213395653.db2.gz	BCZNYILKVXTJOI-MRXNPFEDSA-N	1	1	325.408	3.639	1	10		EHCFMO
CCCOc1cc2c3c(c1)-c1c(O)c(O)ccc1C[C@H]3[N@@H+](C)CC2	ZINC000040877998	213395655	/nfs/dbraw/zinc/39/56/55/213395655.db2.gz	BCZNYILKVXTJOI-MRXNPFEDSA-N	1	1	325.408	3.639	1	10		EHCFMO
CC[N@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074307	215006944	/nfs/dbraw/zinc/00/69/44/215006944.db2.gz	XPFXYWKICZQNES-MRXNPFEDSA-N	1	1	343.398	3.588	1	10		EHCFMO
c1ccc(C[N@H+]2CC[C@@H]3C[C@H]2c2ccc(N4CCOCC4)cc23)cc1	ZINC000104158926	219354467	/nfs/dbraw/zinc/35/44/67/219354467.db2.gz	OTAPEGBXOAAYTQ-GCJKJVERSA-N	1	1	334.463	3.958	1	10		EHCFMO
CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)[NH2+]1	ZINC000102864457	219236801	/nfs/dbraw/zinc/23/68/01/219236801.db2.gz	SZHICFXLANQKCX-JXFKEZNVSA-N	1	1	338.407	3.522	1	10		EHCFMO
CCC1C(=O)[n+]2c3ccccc3sc2N(CC2CCCCC2)C1=O	ZINC000101336228	219122120	/nfs/dbraw/zinc/12/21/20/219122120.db2.gz	DSAFEZWPXHHTBJ-AWEZNQCLSA-N	1	1	343.472	3.782	1	10		EHCFMO