smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCC1(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CCC1	ZINC000159958234	206272629	/nfs/dbraw/zinc/27/26/29/206272629.db2.gz	MTMJRJPKBUPLHB-UHFFFAOYSA-N	0	2	346.387	0.938	20	70		ECIDLN
O=C(CNC(=O)c1cccnc1)Nc1cccc(-c2nc(=O)o[nH]2)c1	ZINC000161398469	545853105	/nfs/dbraw/zinc/85/31/05/545853105.db2.gz	RIOWWZHWVRVPMD-UHFFFAOYSA-N	0	2	339.311	0.793	20	70		ECIDLN
CNC(=O)Cn1cnc(NS(=O)(=O)Cc2cccc(F)c2)n1	ZINC000160958472	296714992	/nfs/dbraw/zinc/71/49/92/296714992.db2.gz	VWFIZILMHTXROJ-UHFFFAOYSA-N	0	2	327.341	0.105	20	70		ECIDLN
CC(C)NC(=O)CN1CC[NH+](CC(=O)[N-]OCc2ccccc2)CC1	ZINC000161138286	436885238	/nfs/dbraw/zinc/88/52/38/436885238.db2.gz	VGCCZIKUOMIXNV-UHFFFAOYSA-N	0	2	348.447	0.377	20	70		ECIDLN
N#Cc1cc2c(nc1NS(=O)(=O)CCCS(=O)(=O)F)CCC2	ZINC000460099707	268194662	/nfs/dbraw/zinc/19/46/62/268194662.db2.gz	ZURKVAUOBOJFFY-UHFFFAOYSA-N	0	2	347.393	0.873	20	70		ECIDLN
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ncc(C(N)=O)s1	ZINC000159588923	545847356	/nfs/dbraw/zinc/84/73/56/545847356.db2.gz	PABOIZOBBPATIQ-UHFFFAOYSA-N	0	2	343.434	0.901	20	70		ECIDLN
CN(C)C(=O)Cn1cnc(NS(=O)(=O)Cc2cccc(F)c2)n1	ZINC000160958042	436882096	/nfs/dbraw/zinc/88/20/96/436882096.db2.gz	FSNVYFNOSIMISH-UHFFFAOYSA-N	0	2	341.368	0.447	20	70		ECIDLN
CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1	ZINC000161051300	436882720	/nfs/dbraw/zinc/88/27/20/436882720.db2.gz	DAPXKZUBMYQPIK-UHFFFAOYSA-N	0	2	333.366	0.894	20	70		ECIDLN
COc1ccc(Br)c(CC(=O)NCc2n[nH]c(=O)[nH]2)c1	ZINC000161113419	436884108	/nfs/dbraw/zinc/88/41/08/436884108.db2.gz	GOJPFNOWDQNWHC-UHFFFAOYSA-N	0	2	341.165	0.728	20	70		ECIDLN
O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1n[nH]c(=O)[nH]1	ZINC000160121093	296712771	/nfs/dbraw/zinc/71/27/71/296712771.db2.gz	ZNPFDIPRYCXQQA-UHFFFAOYSA-N	0	2	339.355	0.931	20	70		ECIDLN
O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1	ZINC000159790096	436863906	/nfs/dbraw/zinc/86/39/06/436863906.db2.gz	YMCXACLQONPSDV-RXMQYKEDSA-N	0	2	330.270	0.261	20	70		ECIDLN
O=C(Cc1ccc(Br)c(F)c1)NCc1n[nH]c(=O)[nH]1	ZINC000160118836	436867499	/nfs/dbraw/zinc/86/74/99/436867499.db2.gz	KOVSQYJZGNOWNS-UHFFFAOYSA-N	0	2	329.129	0.859	20	70		ECIDLN
CCCCc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)[nH]n1	ZINC000159937236	529017118	/nfs/dbraw/zinc/01/71/18/529017118.db2.gz	HCVCDTYLUYDETB-UHFFFAOYSA-N	0	2	325.394	0.991	20	70		ECIDLN
O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1	ZINC000159789939	436863681	/nfs/dbraw/zinc/86/36/81/436863681.db2.gz	YMCXACLQONPSDV-YFKPBYRVSA-N	0	2	330.270	0.261	20	70		ECIDLN
O=c1nc2[nH]cc(S(=O)(=O)NCC3(C4CC4)CC3)cc-2c(=O)[nH]1	ZINC000160136711	225347155	/nfs/dbraw/zinc/34/71/55/225347155.db2.gz	UOIDOKBLPJQTDM-UHFFFAOYSA-N	0	2	336.373	0.080	20	70		ECIDLN
Cn1ncc(C#N)c1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	ZINC000460094149	268131144	/nfs/dbraw/zinc/13/11/44/268131144.db2.gz	MOVMNASJJYKHMF-UHFFFAOYSA-N	0	2	344.349	0.751	20	70		ECIDLN
O=C(NCCc1cccc(O)c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000160196233	436869190	/nfs/dbraw/zinc/86/91/90/436869190.db2.gz	HVMCAXIOQXMZME-UHFFFAOYSA-N	0	2	326.312	0.290	20	70		ECIDLN
Cc1cc(=O)n2nc(NS(=O)(=O)Cc3cccc(F)c3)[nH]c2n1	ZINC000160919701	436881035	/nfs/dbraw/zinc/88/10/35/436881035.db2.gz	CGNURBPORMZSBB-UHFFFAOYSA-N	0	2	337.336	0.807	20	70		ECIDLN
O=C(N[C@H]1CCOC2(CCCC2)C1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000159740737	436863509	/nfs/dbraw/zinc/86/35/09/436863509.db2.gz	WRAIPZVYKAXKLC-NSHDSACASA-N	0	2	344.371	0.833	20	70		ECIDLN
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000159740605	436863114	/nfs/dbraw/zinc/86/31/14/436863114.db2.gz	WRAIPZVYKAXKLC-LLVKDONJSA-N	0	2	344.371	0.833	20	70		ECIDLN
Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)nn1-c1ccc(F)cc1F	ZINC000160126191	296712661	/nfs/dbraw/zinc/71/26/61/296712661.db2.gz	FHENHGUXSMXKQU-UHFFFAOYSA-N	0	2	334.286	0.800	20	70		ECIDLN
Cn1c2ccc(S(=O)(=O)Nc3nncs3)cc2n(C)c1=O	ZINC000160554826	436875774	/nfs/dbraw/zinc/87/57/74/436875774.db2.gz	VZKSIVYAHMXBFK-UHFFFAOYSA-N	0	2	325.375	0.529	20	70		ECIDLN