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)[n-]c(=O)c-3c2)CCC1	ZINC000159958234	206272622	/nfs/dbraw/zinc/27/26/22/206272622.db2.gz	MTMJRJPKBUPLHB-UHFFFAOYSA-N	-1	0	346.387	0.938	20	70		ECIDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	ZINC000460098847	268131050	/nfs/dbraw/zinc/13/10/50/268131050.db2.gz	XWIZLTGGDFSHBN-UHFFFAOYSA-N	-1	0	344.349	0.751	20	70		ECIDRM
O=C(CNC(=O)c1cccnc1)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000161398469	545853092	/nfs/dbraw/zinc/85/30/92/545853092.db2.gz	RIOWWZHWVRVPMD-UHFFFAOYSA-N	-1	0	339.311	0.793	20	70		ECIDRM
CNC(=O)Cn1cnc([N-]S(=O)(=O)Cc2cccc(F)c2)n1	ZINC000160958472	296714985	/nfs/dbraw/zinc/71/49/85/296714985.db2.gz	VWFIZILMHTXROJ-UHFFFAOYSA-N	-1	0	327.341	0.105	20	70		ECIDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)F	ZINC000460097783	268171438	/nfs/dbraw/zinc/17/14/38/268171438.db2.gz	UNZFRJASVWSZFR-UHFFFAOYSA-N	-1	0	330.322	0.740	20	70		ECIDRM
CCS(=O)(=O)N(C)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1	ZINC000160226045	436869271	/nfs/dbraw/zinc/86/92/71/436869271.db2.gz	KVUFLAPIFJNHSS-UHFFFAOYSA-N	-1	0	327.366	0.593	20	70		ECIDRM
Cc1ccc(-c2nc(NC(=O)CN(C)Cc3nnc(C)n3C)n[nH]2)o1	ZINC000160263617	436868182	/nfs/dbraw/zinc/86/81/82/436868182.db2.gz	OJTYVDCERSZQSI-UHFFFAOYSA-N	-1	0	344.379	0.881	20	70		ECIDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCCS(=O)(=O)F	ZINC000460096347	267260671	/nfs/dbraw/zinc/26/06/71/267260671.db2.gz	ONYWAADSBDYYDC-UHFFFAOYSA-N	-1	0	338.386	0.596	20	70		ECIDRM
CNS(=O)(=O)c1cc(C(=O)N(C)CCCn2ccnc2C)co1	ZINC000160973700	436880832	/nfs/dbraw/zinc/88/08/32/436880832.db2.gz	HWGYWMXRXKKVRQ-UHFFFAOYSA-N	-1	0	340.405	0.855	20	70		ECIDRM
CC(C)NC(=O)CN1CCN(CC(=O)[N-]OCc2ccccc2)CC1	ZINC000161138286	436885232	/nfs/dbraw/zinc/88/52/32/436885232.db2.gz	VGCCZIKUOMIXNV-UHFFFAOYSA-N	-1	0	348.447	0.377	20	70		ECIDRM
O=S(=O)(NCCCN1CCOCC1)c1cccc2nonc21	ZINC000160882223	436880155	/nfs/dbraw/zinc/88/01/55/436880155.db2.gz	UKXYSGDOMNYQJN-UHFFFAOYSA-N	-1	0	326.378	0.223	20	70		ECIDRM
N#Cc1cc2c(nc1[N-]S(=O)(=O)CCCS(=O)(=O)F)CCC2	ZINC000460099707	268194659	/nfs/dbraw/zinc/19/46/59/268194659.db2.gz	ZURKVAUOBOJFFY-UHFFFAOYSA-N	-1	0	347.393	0.873	20	70		ECIDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)c1	ZINC000159655247	436861842	/nfs/dbraw/zinc/86/18/42/436861842.db2.gz	GLCLMQSZVJCCNT-ONEGZZNKSA-N	-1	0	335.389	0.847	20	70		ECIDRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CNC(=O)C2)s1	ZINC000160492692	436873340	/nfs/dbraw/zinc/87/33/40/436873340.db2.gz	YHXDKMGCLRHHJA-MRVPVSSYSA-N	-1	0	330.431	0.987	20	70		ECIDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncc(C(N)=O)s1	ZINC000159588923	545847343	/nfs/dbraw/zinc/84/73/43/545847343.db2.gz	PABOIZOBBPATIQ-UHFFFAOYSA-N	-1	0	343.434	0.901	20	70		ECIDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)F	ZINC000460097397	268130596	/nfs/dbraw/zinc/13/05/96/268130596.db2.gz	STJJSRQZXKCKHN-UHFFFAOYSA-N	-1	0	344.349	0.751	20	70		ECIDRM
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)Cc2cccc(F)c2)n1	ZINC000160958042	436882088	/nfs/dbraw/zinc/88/20/88/436882088.db2.gz	FSNVYFNOSIMISH-UHFFFAOYSA-N	-1	0	341.368	0.447	20	70		ECIDRM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC000161051300	436882710	/nfs/dbraw/zinc/88/27/10/436882710.db2.gz	DAPXKZUBMYQPIK-UHFFFAOYSA-N	-1	0	333.366	0.894	20	70		ECIDRM
COc1ccc(Br)c(CC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000161113419	436884105	/nfs/dbraw/zinc/88/41/05/436884105.db2.gz	GOJPFNOWDQNWHC-UHFFFAOYSA-N	-1	0	341.165	0.728	20	70		ECIDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)F)c1	ZINC000460096728	268171594	/nfs/dbraw/zinc/17/15/94/268171594.db2.gz	REKZEMYGJZJIDG-UHFFFAOYSA-N	-1	0	330.322	0.740	20	70		ECIDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@]1(OC)CCOC1	ZINC000160014595	436865327	/nfs/dbraw/zinc/86/53/27/436865327.db2.gz	YLAJBWDKZUPIGD-LLVKDONJSA-N	-1	0	336.391	0.014	20	70		ECIDRM
O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1n[nH]c(=O)[n-]1	ZINC000160121093	296712770	/nfs/dbraw/zinc/71/27/70/296712770.db2.gz	ZNPFDIPRYCXQQA-UHFFFAOYSA-N	-1	0	339.355	0.931	20	70		ECIDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	ZINC000460091286	268171393	/nfs/dbraw/zinc/17/13/93/268171393.db2.gz	HLAWRIXXIMMDOA-UHFFFAOYSA-N	-1	0	330.322	0.740	20	70		ECIDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@]1(OC)CCOC1	ZINC000160014735	292037292	/nfs/dbraw/zinc/03/72/92/292037292.db2.gz	YLAJBWDKZUPIGD-NSHDSACASA-N	-1	0	336.391	0.014	20	70		ECIDRM
N#Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)F)n[nH]c1C1CC1	ZINC000460097328	268167809	/nfs/dbraw/zinc/16/78/09/268167809.db2.gz	PXGYLSDERVPLON-UHFFFAOYSA-N	-1	0	336.370	0.590	20	70		ECIDRM
COCCN1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1=O	ZINC000160818331	436880256	/nfs/dbraw/zinc/88/02/56/436880256.db2.gz	ZGPYMGQBSUIPIR-UHFFFAOYSA-N	-1	0	331.376	0.264	20	70		ECIDRM
O=C(Cc1ccc(Br)c(F)c1)NCc1n[nH]c(=O)[n-]1	ZINC000160118836	436867486	/nfs/dbraw/zinc/86/74/86/436867486.db2.gz	KOVSQYJZGNOWNS-UHFFFAOYSA-N	-1	0	329.129	0.859	20	70		ECIDRM
CCCCc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)[nH]n1	ZINC000159937236	529017099	/nfs/dbraw/zinc/01/70/99/529017099.db2.gz	HCVCDTYLUYDETB-UHFFFAOYSA-N	-1	0	325.394	0.991	20	70		ECIDRM
O=c1nc2[nH]cc(S(=O)(=O)NCC3(C4CC4)CC3)cc-2c(=O)[n-]1	ZINC000160136711	225347152	/nfs/dbraw/zinc/34/71/52/225347152.db2.gz	UOIDOKBLPJQTDM-UHFFFAOYSA-N	-1	0	336.373	0.080	20	70		ECIDRM
O=C(NCCCc1nc(=O)[n-][nH]1)c1ccncc1Br	ZINC000159843774	436862292	/nfs/dbraw/zinc/86/22/92/436862292.db2.gz	YCWFLEUQJYQHJF-UHFFFAOYSA-N	-1	0	326.154	0.618	20	70		ECIDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)F)c1	ZINC000460094149	268131138	/nfs/dbraw/zinc/13/11/38/268131138.db2.gz	MOVMNASJJYKHMF-UHFFFAOYSA-N	-1	0	344.349	0.751	20	70		ECIDRM
O=C(NCCc1cccc(O)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000160196233	436869182	/nfs/dbraw/zinc/86/91/82/436869182.db2.gz	HVMCAXIOQXMZME-UHFFFAOYSA-N	-1	0	326.312	0.290	20	70		ECIDRM
CC(C)CN(CC(N)=O)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000159779542	436864337	/nfs/dbraw/zinc/86/43/37/436864337.db2.gz	FUHKTCXBCMCFSK-UHFFFAOYSA-N	-1	0	346.387	0.050	20	70		ECIDRM
Cc1cc(=O)n2nc(NS(=O)(=O)Cc3cccc(F)c3)[n-]c2n1	ZINC000160919701	436881022	/nfs/dbraw/zinc/88/10/22/436881022.db2.gz	CGNURBPORMZSBB-UHFFFAOYSA-N	-1	0	337.336	0.807	20	70		ECIDRM
NC(=O)c1cccc(CCNC(=O)c2n[n-]c3ccccc3c2=O)c1	ZINC000217144785	590754104	/nfs/dbraw/zinc/75/41/04/590754104.db2.gz	JVNJROKDRKKCHH-UHFFFAOYSA-N	-1	0	336.351	0.995	20	70		ECIDRM
Cc1cccc(F)c1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000160816562	436880202	/nfs/dbraw/zinc/88/02/02/436880202.db2.gz	GOGDNUKGKFEYKT-UHFFFAOYSA-N	-1	0	327.337	0.332	20	70		ECIDRM
Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1-c1ccc(F)cc1F	ZINC000160126191	296712659	/nfs/dbraw/zinc/71/26/59/296712659.db2.gz	FHENHGUXSMXKQU-UHFFFAOYSA-N	-1	0	334.286	0.800	20	70		ECIDRM
COc1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)nn1	ZINC000160305740	533336266	/nfs/dbraw/zinc/33/62/66/533336266.db2.gz	AOYMFWNKMYWOTP-UHFFFAOYSA-N	-1	0	328.332	0.368	20	70		ECIDRM
Cn1c2ccc(S(=O)(=O)[N-]c3nncs3)cc2n(C)c1=O	ZINC000160554826	436875764	/nfs/dbraw/zinc/87/57/64/436875764.db2.gz	VZKSIVYAHMXBFK-UHFFFAOYSA-N	-1	0	325.375	0.529	20	70		ECIDRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CNC(=O)C2)s1	ZINC000160492800	207633012	/nfs/dbraw/zinc/63/30/12/207633012.db2.gz	YHXDKMGCLRHHJA-QMMMGPOBSA-N	-1	0	330.431	0.987	20	70		ECIDRM