smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853743	206360203	/nfs/dbraw/zinc/36/02/03/206360203.db2.gz	QSKGGDIEZVYBSC-UHFFFAOYSA-N	1	2	365.499	1.557	40	70		FDIBLO
Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853707	206361107	/nfs/dbraw/zinc/36/11/07/206361107.db2.gz	UYZPTOFUSBEVDR-UHFFFAOYSA-N	1	2	351.472	1.167	40	70		FDIBLO
CCN(CC)C(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216860382	206361237	/nfs/dbraw/zinc/36/12/37/206361237.db2.gz	CFQRXLPOXOYVRS-UHFFFAOYSA-N	1	2	353.488	1.413	40	70		FDIBLO
CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216856954	520221205	/nfs/dbraw/zinc/22/12/05/520221205.db2.gz	NZGFNPQMCMYBHO-UHFFFAOYSA-N	1	2	367.515	1.851	40	70		FDIBLO
CCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216877988	520683125	/nfs/dbraw/zinc/68/31/25/520683125.db2.gz	QMMUIAJPYVQUTO-UHFFFAOYSA-N	1	2	373.906	1.806	40	70		FDIBLO
COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216783102	206360442	/nfs/dbraw/zinc/36/04/42/206360442.db2.gz	MSELUHFRYFDDJZ-UHFFFAOYSA-N	1	2	369.487	1.160	40	70		FDIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC(C)C	ZINC000216863114	525541499	/nfs/dbraw/zinc/54/14/99/525541499.db2.gz	SYOCXFFRSVUKQZ-UHFFFAOYSA-N	1	2	367.515	1.707	40	70		FDIBLO
Cc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855817	206360633	/nfs/dbraw/zinc/36/06/33/206360633.db2.gz	BMRUERZOFXZOSK-UHFFFAOYSA-N	1	2	374.466	1.578	40	70		FDIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nnnn2-c2ccc(F)cc2)C1	ZINC000217567506	206364901	/nfs/dbraw/zinc/36/49/01/206364901.db2.gz	MXGKWXINMZWZLV-UONOGXRCSA-N	1	2	366.400	1.582	40	70		FDIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nnnn2-c2ccc(F)cc2)C1	ZINC000217567506	206364906	/nfs/dbraw/zinc/36/49/06/206364906.db2.gz	MXGKWXINMZWZLV-UONOGXRCSA-N	1	2	366.400	1.582	40	70		FDIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)CC1	ZINC000216873728	568148779	/nfs/dbraw/zinc/14/87/79/568148779.db2.gz	NXCBNKVTARGJQW-UHFFFAOYSA-N	1	2	373.906	1.804	40	70		FDIBLO
CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216857059	568147426	/nfs/dbraw/zinc/14/74/26/568147426.db2.gz	OSCFXXQESLHQRI-OAHLLOKOSA-N	1	2	367.515	1.850	40	70		FDIBLO
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216873613	568148791	/nfs/dbraw/zinc/14/87/91/568148791.db2.gz	BBJSZZOSCGNVOW-GFCCVEGCSA-N	1	2	373.906	1.804	40	70		FDIBLO
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216863152	520664573	/nfs/dbraw/zinc/66/45/73/520664573.db2.gz	IGQWPHUODZEZBQ-OAHLLOKOSA-N	1	2	367.515	1.850	40	70		FDIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC(C)(C)C	ZINC000216860269	568147686	/nfs/dbraw/zinc/14/76/86/568147686.db2.gz	PEVMYMFXOKKQCL-UHFFFAOYSA-N	1	2	353.488	1.459	40	70		FDIBLO
CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H]3CSC[N@@H+]32)c2ccccc21	ZINC000217677765	537456211	/nfs/dbraw/zinc/45/62/11/537456211.db2.gz	WHZFXMKPVAUKLO-YLFCFFPRSA-N	1	2	369.446	1.962	40	70		FDIBLO
CC(=O)n1cc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H]3CSC[N@H+]32)c2ccccc21	ZINC000217677765	537456217	/nfs/dbraw/zinc/45/62/17/537456217.db2.gz	WHZFXMKPVAUKLO-YLFCFFPRSA-N	1	2	369.446	1.962	40	70		FDIBLO
CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216853404	568146926	/nfs/dbraw/zinc/14/69/26/568146926.db2.gz	FBMWFUBPKBZTIF-CQSZACIVSA-N	1	2	353.488	1.459	40	70		FDIBLO
CCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216862818	520682273	/nfs/dbraw/zinc/68/22/73/520682273.db2.gz	JYDYIGDSMSRCBG-UHFFFAOYSA-N	1	2	353.488	1.461	40	70		FDIBLO
Cc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853510	568146882	/nfs/dbraw/zinc/14/68/82/568146882.db2.gz	XZEDYGPRMORASU-UHFFFAOYSA-N	1	2	353.488	1.317	40	70		FDIBLO
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216873661	568148775	/nfs/dbraw/zinc/14/87/75/568148775.db2.gz	BBJSZZOSCGNVOW-LBPRGKRZSA-N	1	2	373.906	1.804	40	70		FDIBLO
CCN(CC)C(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216873986	568148907	/nfs/dbraw/zinc/14/89/07/568148907.db2.gz	PTUCBPDXJWSRKV-UHFFFAOYSA-N	1	2	373.906	1.758	40	70		FDIBLO
Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853594	568146975	/nfs/dbraw/zinc/14/69/75/568146975.db2.gz	GENYXLATAOEIBG-UHFFFAOYSA-N	1	2	365.499	1.604	40	70		FDIBLO
CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216857085	568147418	/nfs/dbraw/zinc/14/74/18/568147418.db2.gz	OSCFXXQESLHQRI-HNNXBMFYSA-N	1	2	367.515	1.850	40	70		FDIBLO
CCCCNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216885107	520685230	/nfs/dbraw/zinc/68/52/30/520685230.db2.gz	LCOOBAMPTOXCCC-UHFFFAOYSA-N	1	2	353.488	1.294	40	70		FDIBLO
O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2c(c1)OCCO2	ZINC000217566597	537455665	/nfs/dbraw/zinc/45/56/65/537455665.db2.gz	LOOJOGSCKXITCU-GOEBONIOSA-N	1	2	366.417	1.922	40	70		FDIBLO
O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2c(c1)OCCO2	ZINC000217566597	537455671	/nfs/dbraw/zinc/45/56/71/537455671.db2.gz	LOOJOGSCKXITCU-GOEBONIOSA-N	1	2	366.417	1.922	40	70		FDIBLO
Cc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853474	568146979	/nfs/dbraw/zinc/14/69/79/568146979.db2.gz	QTDBOMMBOIZKRN-UHFFFAOYSA-N	1	2	353.488	1.459	40	70		FDIBLO
CC(C)CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216873787	206360327	/nfs/dbraw/zinc/36/03/27/206360327.db2.gz	OPPIFMYJPWFDPA-UHFFFAOYSA-N	1	2	373.906	1.662	40	70		FDIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccnc1	ZINC000216862124	206360316	/nfs/dbraw/zinc/36/03/16/206360316.db2.gz	CPJHRMKCQDAAKZ-UHFFFAOYSA-N	1	2	374.466	1.578	40	70		FDIBLO
CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216863176	521060962	/nfs/dbraw/zinc/06/09/62/521060962.db2.gz	IGQWPHUODZEZBQ-HNNXBMFYSA-N	1	2	367.515	1.850	40	70		FDIBLO
CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216853434	206361550	/nfs/dbraw/zinc/36/15/50/206361550.db2.gz	FBMWFUBPKBZTIF-AWEZNQCLSA-N	1	2	353.488	1.459	40	70		FDIBLO
CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870894	568148560	/nfs/dbraw/zinc/14/85/60/568148560.db2.gz	YHAGKRIYXNQSLM-UHFFFAOYSA-N	1	2	373.906	1.806	40	70		FDIBLO
CCC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216860108	568147698	/nfs/dbraw/zinc/14/76/98/568147698.db2.gz	ANIJIGXXFKIVDQ-UHFFFAOYSA-N	1	2	367.515	1.850	40	70		FDIBLO
CCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216866011	568147974	/nfs/dbraw/zinc/14/79/74/568147974.db2.gz	QLSGJVBBJZMJTP-UHFFFAOYSA-N	1	2	367.515	1.850	40	70		FDIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)CC1	ZINC000216868825	568148246	/nfs/dbraw/zinc/14/82/46/568148246.db2.gz	HCXOEVXCQCCOLM-UHFFFAOYSA-N	1	2	371.890	1.512	40	70		FDIBLO
CCCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216863042	520222665	/nfs/dbraw/zinc/22/26/65/520222665.db2.gz	LZXONYCSSHASPG-UHFFFAOYSA-N	1	2	367.515	1.851	40	70		FDIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc3ccc(F)cc3c(=O)[nH]2)C1	ZINC000217566429	537455434	/nfs/dbraw/zinc/45/54/34/537455434.db2.gz	QASGZRYGXBADHW-QWHCGFSZSA-N	1	2	366.396	1.843	40	70		FDIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc3ccc(F)cc3c(=O)[nH]2)C1	ZINC000217566429	537455438	/nfs/dbraw/zinc/45/54/38/537455438.db2.gz	QASGZRYGXBADHW-QWHCGFSZSA-N	1	2	366.396	1.843	40	70		FDIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CCCC1	ZINC000216860344	568147661	/nfs/dbraw/zinc/14/76/61/568147661.db2.gz	IVGBPMVXHGODIE-UHFFFAOYSA-N	1	2	365.499	1.604	40	70		FDIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC(C)(C)C	ZINC000216786255	568139764	/nfs/dbraw/zinc/13/97/64/568139764.db2.gz	DYGJAMOLEZLVRL-UHFFFAOYSA-N	1	2	369.487	1.160	40	70		FDIBLO
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857024	568147408	/nfs/dbraw/zinc/14/74/08/568147408.db2.gz	IZQOHWODMMIKHE-UHFFFAOYSA-N	1	2	367.515	1.707	40	70		FDIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)CC1	ZINC000216877084	568149345	/nfs/dbraw/zinc/14/93/45/568149345.db2.gz	DJSBTKNPTOZVSF-UHFFFAOYSA-N	1	2	357.863	1.168	40	70		FDIBLO
CCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216856740	568147190	/nfs/dbraw/zinc/14/71/90/568147190.db2.gz	YKMPCAPAAKWKKB-UHFFFAOYSA-N	1	2	353.488	1.461	40	70		FDIBLO
CCCCCNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216885408	520221946	/nfs/dbraw/zinc/22/19/46/520221946.db2.gz	BFNXIXJOEPOHBD-UHFFFAOYSA-N	1	2	367.515	1.684	40	70		FDIBLO