smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621667	719112749	/nfs/dbraw/zinc/11/27/49/719112749.db2.gz	AMQYUNLSGCJHGZ-AEFFLSMTSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621667	719112753	/nfs/dbraw/zinc/11/27/53/719112753.db2.gz	AMQYUNLSGCJHGZ-AEFFLSMTSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711435	720157505	/nfs/dbraw/zinc/15/75/05/720157505.db2.gz	BTNKSIUVQPACFN-SFHVURJKSA-N	1	1	434.537	2.642	20	70		IFIDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711435	720157511	/nfs/dbraw/zinc/15/75/11/720157511.db2.gz	BTNKSIUVQPACFN-SFHVURJKSA-N	1	1	434.537	2.642	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621677	719112474	/nfs/dbraw/zinc/11/24/74/719112474.db2.gz	AMQYUNLSGCJHGZ-WMZOPIPTSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(S(=O)(=O)F)c1	ZINC001164621677	719112479	/nfs/dbraw/zinc/11/24/79/719112479.db2.gz	AMQYUNLSGCJHGZ-WMZOPIPTSA-N	1	1	433.505	2.627	20	70		IFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164707926	719909285	/nfs/dbraw/zinc/90/92/85/719909285.db2.gz	ZOAKWKQWOSBWJB-UHFFFAOYSA-N	1	1	425.551	2.981	20	70		IFIDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164715735	720157794	/nfs/dbraw/zinc/15/77/94/720157794.db2.gz	WHSXLSYVZJIQCS-IBGZPJMESA-N	1	1	448.564	2.951	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621669	719112377	/nfs/dbraw/zinc/11/23/77/719112377.db2.gz	AMQYUNLSGCJHGZ-FUHWJXTLSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621669	719112382	/nfs/dbraw/zinc/11/23/82/719112382.db2.gz	AMQYUNLSGCJHGZ-FUHWJXTLSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711433	720158010	/nfs/dbraw/zinc/15/80/10/720158010.db2.gz	BTNKSIUVQPACFN-GOSISDBHSA-N	1	1	434.537	2.642	20	70		IFIDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164711433	720158016	/nfs/dbraw/zinc/15/80/16/720158016.db2.gz	BTNKSIUVQPACFN-GOSISDBHSA-N	1	1	434.537	2.642	20	70		IFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164963038	722062501	/nfs/dbraw/zinc/06/25/01/722062501.db2.gz	ATLLCQNLMKWBLM-UHFFFAOYSA-N	1	1	434.537	2.562	20	70		IFIDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164715739	720158279	/nfs/dbraw/zinc/15/82/79/720158279.db2.gz	WHSXLSYVZJIQCS-LJQANCHMSA-N	1	1	448.564	2.951	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621673	719112659	/nfs/dbraw/zinc/11/26/59/719112659.db2.gz	AMQYUNLSGCJHGZ-SJLPKXTDSA-N	1	1	433.505	2.627	20	70		IFIDMO
COC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(S(=O)(=O)F)c1	ZINC001164621673	719112666	/nfs/dbraw/zinc/11/26/66/719112666.db2.gz	AMQYUNLSGCJHGZ-SJLPKXTDSA-N	1	1	433.505	2.627	20	70		IFIDMO