smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C2(C(=O)N(C)Cc3c[nH+]c4ccccn34)CCCC2)cc1	ZINC000218716709	206373030	/nfs/dbraw/zinc/37/30/30/206373030.db2.gz	FMFMRXPGWFUNEM-UHFFFAOYSA-N	1	2	363.461	3.813	50	70		FHIALO
Cc1ccc2[nH]c(CCC(=O)NC[C@@H]3OCCc4ccccc43)[nH+]c2c1C	ZINC000217140298	568151210	/nfs/dbraw/zinc/15/12/10/568151210.db2.gz	GDZYIJVHWJHDDR-IBGZPJMESA-N	1	2	363.461	3.543	50	70		FHIALO
C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000217119259	568148111	/nfs/dbraw/zinc/14/81/11/568148111.db2.gz	DGNDXSQNODYIKM-MRXNPFEDSA-N	1	2	355.482	3.664	50	70		FHIALO
C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000217119259	568148113	/nfs/dbraw/zinc/14/81/13/568148113.db2.gz	DGNDXSQNODYIKM-MRXNPFEDSA-N	1	2	355.482	3.664	50	70		FHIALO
Cc1[nH+]c(N2CCCC2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1	ZINC000159519423	571124004	/nfs/dbraw/zinc/12/40/04/571124004.db2.gz	ONHKXSDUTKPRHO-UHFFFAOYSA-N	1	2	365.412	3.567	50	70		FHIALO
Cc1nn(C)c(C)c1C[N@H+](Cc1cnn(-c2cccc(F)c2)c1)C1CC1	ZINC000218052019	527627852	/nfs/dbraw/zinc/62/78/52/527627852.db2.gz	YBQGDSRBCDLHHS-UHFFFAOYSA-N	1	2	353.445	3.526	50	70		FHIALO
Cc1nn(C)c(C)c1C[N@@H+](Cc1cnn(-c2cccc(F)c2)c1)C1CC1	ZINC000218052019	527627857	/nfs/dbraw/zinc/62/78/57/527627857.db2.gz	YBQGDSRBCDLHHS-UHFFFAOYSA-N	1	2	353.445	3.526	50	70		FHIALO
Cc1ccc2[nH]c(CCC(=O)NC[C@H]3OCCc4ccccc43)[nH+]c2c1C	ZINC000217140310	568151217	/nfs/dbraw/zinc/15/12/17/568151217.db2.gz	GDZYIJVHWJHDDR-LJQANCHMSA-N	1	2	363.461	3.543	50	70		FHIALO
O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1	ZINC000159936378	571163943	/nfs/dbraw/zinc/16/39/43/571163943.db2.gz	MLBYHMPRXCAMHH-CQSZACIVSA-N	1	2	350.344	3.501	50	70		FHIALO
C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000217119274	263459387	/nfs/dbraw/zinc/45/93/87/263459387.db2.gz	DGNDXSQNODYIKM-INIZCTEOSA-N	1	2	355.482	3.664	50	70		FHIALO
C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000217119274	263459390	/nfs/dbraw/zinc/45/93/90/263459390.db2.gz	DGNDXSQNODYIKM-INIZCTEOSA-N	1	2	355.482	3.664	50	70		FHIALO
O=C(CCSCc1ccc(F)cc1)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000218053224	526538670	/nfs/dbraw/zinc/53/86/70/526538670.db2.gz	LRUXZYTYCPFDNY-UHFFFAOYSA-N	1	2	361.486	3.584	50	70		FHIALO
Cc1cc(C[N@@H+]2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)ccc1F	ZINC000218016490	568214809	/nfs/dbraw/zinc/21/48/09/568214809.db2.gz	BWTRPJOAVVLJIE-UHFFFAOYSA-N	1	2	351.425	3.575	50	70		FHIALO
Cc1cc(C[N@H+]2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)ccc1F	ZINC000218016490	568214810	/nfs/dbraw/zinc/21/48/10/568214810.db2.gz	BWTRPJOAVVLJIE-UHFFFAOYSA-N	1	2	351.425	3.575	50	70		FHIALO
CC(C)n1c[nH+]cc1CN(Cc1ccncc1)Cc1ccc2c(c1)OCO2	ZINC000218378306	520055755	/nfs/dbraw/zinc/05/57/55/520055755.db2.gz	COPJXXQHNGCSGJ-UHFFFAOYSA-N	1	2	364.449	3.790	50	70		FHIALO
Cc1ncsc1CCN(C)C(=O)CCc1[nH]c2ccc(C)c(C)c2[nH+]1	ZINC000217357447	527485352	/nfs/dbraw/zinc/48/53/52/527485352.db2.gz	VTXCMBXSZHZBKY-UHFFFAOYSA-N	1	2	356.495	3.578	50	70		FHIALO
C[C@@H]1CN(Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C[C@H](C)O1	ZINC000218156128	524982937	/nfs/dbraw/zinc/98/29/37/524982937.db2.gz	RLQCTMQTXFLQNQ-IYBDPMFKSA-N	1	2	363.889	3.615	50	70		FHIALO
O=C(NCCCc1[nH]cc[nH+]1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1	ZINC000218508431	526282180	/nfs/dbraw/zinc/28/21/80/526282180.db2.gz	UGEZEFCLNVDJCW-UHFFFAOYSA-N	1	2	371.444	3.625	50	70		FHIALO
Cc1nc(NCCc2cccc(C(F)(F)F)c2)cc(C2CC(O)C2)[nH+]1	ZINC000218323956	526997316	/nfs/dbraw/zinc/99/73/16/526997316.db2.gz	RUKPFGMINOXOSJ-UHFFFAOYSA-N	1	2	351.372	3.697	50	70		FHIALO
COc1cccc(SCC(=O)NCCc2[nH]c3cc(C)c(C)cc3[nH+]2)c1	ZINC000218765375	568250649	/nfs/dbraw/zinc/25/06/49/568250649.db2.gz	PJMCYCGPEKUNHR-UHFFFAOYSA-N	1	2	369.490	3.639	50	70		FHIALO
COc1ccccc1-c1ccc(C(=O)N(C)CCCc2[nH+]ccn2C)cc1	ZINC000218526247	524270282	/nfs/dbraw/zinc/27/02/82/524270282.db2.gz	XTVDLYHEPNMZEU-UHFFFAOYSA-N	1	2	363.461	3.801	50	70		FHIALO
Cc1ccc2[nH]c(CCCNC(=O)Cc3ccc(N(C)C)cc3)[nH+]c2c1C	ZINC000218012006	526097629	/nfs/dbraw/zinc/09/76/29/526097629.db2.gz	GLONWXIPBCPHII-UHFFFAOYSA-N	1	2	364.493	3.537	50	70		FHIALO
O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1	ZINC000159936238	571163920	/nfs/dbraw/zinc/16/39/20/571163920.db2.gz	MLBYHMPRXCAMHH-AWEZNQCLSA-N	1	2	350.344	3.501	50	70		FHIALO