smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)CCc2n[nH]c(=S)[n-]c2=O)cc1	ZINC000010433386	441113911	/nfs/dbraw/zinc/11/39/11/441113911.db2.gz	IAZOXPIFOFAXSN-UHFFFAOYSA-N	-1	1	333.417	1.142	50	10		EDCAMM
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1	ZINC000031580712	202207166	/nfs/dbraw/zinc/20/71/66/202207166.db2.gz	FTEFYYDFMJFOEU-UHFFFAOYSA-N	-1	1	337.401	1.184	50	10		EDCAMM
COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1OC	ZINC000003847450	295228238	/nfs/dbraw/zinc/22/82/38/295228238.db2.gz	AKSMAPRNZUUFCR-PXAZEXFGSA-N	-1	1	345.351	1.803	50	10		EDCAMM
CN1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)[N-]C1=S	ZINC000000573025	277005414	/nfs/dbraw/zinc/00/54/14/277005414.db2.gz	BHLKKCLDFOTKSC-QPJJXVBHSA-N	-1	1	341.186	1.411	50	10		EDCAMM
Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(F)c1	ZINC000002971256	440884656	/nfs/dbraw/zinc/88/46/56/440884656.db2.gz	GWNRNGIXINPPGE-UHFFFAOYSA-N	-1	1	327.315	1.983	50	10		EDCAMM
Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(F)c1	ZINC000002971256	440884661	/nfs/dbraw/zinc/88/46/61/440884661.db2.gz	GWNRNGIXINPPGE-UHFFFAOYSA-N	-1	1	327.315	1.983	50	10		EDCAMM
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000039369096	441617809	/nfs/dbraw/zinc/61/78/09/441617809.db2.gz	QHIYFXPWGFGKEG-LBPRGKRZSA-N	-1	1	337.357	1.656	50	10		EDCAMM
CN1C(=O)/C(=C/c2ccc(Br)s2)C(=O)[N-]C1=S	ZINC000002122297	276871549	/nfs/dbraw/zinc/87/15/49/276871549.db2.gz	DHXHBTASCMMTSD-GQCTYLIASA-N	-1	1	331.216	1.767	50	10		EDCAMM
CCN1C(=O)C(=CNc2ccc(NC(C)=O)cc2)C(=O)[N-]C1=S	ZINC000008997200	441101764	/nfs/dbraw/zinc/10/17/64/441101764.db2.gz	MSZOBRUXTALURC-XYOKQWHBSA-N	-1	1	332.385	1.204	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1O	ZINC000005670500	284867993	/nfs/dbraw/zinc/86/79/93/284867993.db2.gz	KQLIOSAXJVDFFV-UHFFFAOYSA-N	-1	1	327.159	1.069	50	10		EDCAMM
CC(C)OC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000017113513	441237244	/nfs/dbraw/zinc/23/72/44/441237244.db2.gz	MNFURPIVFARJKG-UHFFFAOYSA-N	-1	1	333.369	1.079	50	10		EDCAMM
COc1ccccc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1	ZINC000003850600	440906338	/nfs/dbraw/zinc/90/63/38/440906338.db2.gz	DNYWYSUJGVSQPH-UHFFFAOYSA-N	-1	1	328.349	1.870	50	10		EDCAMM
Cc1no[n+]([O-])c1COc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000012561116	441136245	/nfs/dbraw/zinc/13/62/45/441136245.db2.gz	JWBCXISGXAVUMX-SDQBBNPISA-N	-1	1	349.393	1.684	50	10		EDCAMM
O=C1[N-]C(=S)N(Cc2ccco2)C(=O)C1=CNCc1cccs1	ZINC000104911231	441221110	/nfs/dbraw/zinc/22/11/10/441221110.db2.gz	XQBYCLFYOOLKRD-XYOKQWHBSA-N	-1	1	347.421	1.758	50	10		EDCAMM
CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101763376	219163285	/nfs/dbraw/zinc/16/32/85/219163285.db2.gz	STEXCXYLCSPPKW-NSHDSACASA-N	-1	1	345.428	1.653	50	10		EDCAMM
COc1ccc(N2CCN(c3nc4c(c(=O)[n-]3)CCCC4)CC2)cc1	ZINC000008972270	211023873	/nfs/dbraw/zinc/02/38/73/211023873.db2.gz	NQWCDPUWUGDETK-UHFFFAOYSA-N	-1	1	340.427	1.984	50	10		EDCAMM
CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000002497810	440862806	/nfs/dbraw/zinc/86/28/06/440862806.db2.gz	WRQALGRJWYGHCO-XYOKQWHBSA-N	-1	1	340.291	1.736	50	10		EDCAMM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c1	ZINC000017950658	441246024	/nfs/dbraw/zinc/24/60/24/441246024.db2.gz	IDSZUWWOVYYUSV-FLIBITNWSA-N	-1	1	347.396	1.405	50	10		EDCAMM
CCOC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000002827653	440879452	/nfs/dbraw/zinc/87/94/52/440879452.db2.gz	QNXRUKVBCBQAEX-CSKARUKUSA-N	-1	1	333.369	1.032	50	10		EDCAMM
CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1	ZINC000034877404	441602145	/nfs/dbraw/zinc/60/21/45/441602145.db2.gz	VSSHNKJEPIHAIW-WQLSENKSSA-N	-1	1	348.380	1.725	50	10		EDCAMM
CCN1C(=O)/C(=C\C=C/c2ccccc2[N+](=O)[O-])C(=O)[N-]C1=S	ZINC000012411870	276145630	/nfs/dbraw/zinc/14/56/30/276145630.db2.gz	LQMOGSZBRIMXNJ-HRTWQDJISA-N	-1	1	331.353	1.798	50	10		EDCAMM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OC)c1	ZINC000000182335	440804664	/nfs/dbraw/zinc/80/46/64/440804664.db2.gz	QTFLVYIQDGDANT-UHFFFAOYSA-N	-1	1	333.413	1.456	50	10		EDCAMM
CN1c2ccccc2C(C)(C)C1=CC=C1C(=O)[N-]C(=S)NC1=O	ZINC000000284219	440812418	/nfs/dbraw/zinc/81/24/18/440812418.db2.gz	PUSFVWZINMLTED-UKTHLTGXSA-N	-1	1	327.409	1.755	50	10		EDCAMM
CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=S)NC3=O)sc2c1	ZINC000100552430	219102093	/nfs/dbraw/zinc/10/20/93/219102093.db2.gz	SQBCWEOUSQGZSF-UHFFFAOYSA-N	-1	1	348.409	1.522	50	10		EDCAMM
CCOc1ccc2[nH]c(=N/C=C3/C(=O)[N-]C(=S)NC3=O)sc2c1	ZINC000100552430	219102095	/nfs/dbraw/zinc/10/20/95/219102095.db2.gz	SQBCWEOUSQGZSF-UHFFFAOYSA-N	-1	1	348.409	1.522	50	10		EDCAMM
CCOc1ccc2[nH]c(=N/C=C3\C(=O)[N-]C(=S)NC3=O)sc2c1	ZINC000100552430	219102097	/nfs/dbraw/zinc/10/20/97/219102097.db2.gz	SQBCWEOUSQGZSF-UHFFFAOYSA-N	-1	1	348.409	1.522	50	10		EDCAMM
CCCN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2C)C(=O)[N-]C1=S	ZINC000006907436	441023112	/nfs/dbraw/zinc/02/31/12/441023112.db2.gz	NOEQMTJSDWJPKA-FLIBITNWSA-N	-1	1	348.384	1.852	50	10		EDCAMM
COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1	ZINC000004091826	258050808	/nfs/dbraw/zinc/05/08/08/258050808.db2.gz	APVVGFGKGAETPF-GXDHUFHOSA-N	-1	1	341.392	1.742	50	10		EDCAMM
CN1C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)[N-]C1=S	ZINC000004470361	210194620	/nfs/dbraw/zinc/19/46/20/210194620.db2.gz	HURVNUBCCDEKRW-BENRWUELSA-N	-1	1	333.413	1.917	50	10		EDCAMM
CCCN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000006907447	441023023	/nfs/dbraw/zinc/02/30/23/441023023.db2.gz	UVRYWZLDMIFTCF-FLIBITNWSA-N	-1	1	334.357	1.544	50	10		EDCAMM
CCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)C(=O)[N-]C1=S	ZINC000000441007	440823213	/nfs/dbraw/zinc/82/32/13/440823213.db2.gz	CSHXQDCCBDVHMH-WEVVVXLNSA-N	-1	1	336.369	1.056	50	10		EDCAMM
O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2N1	ZINC000006623278	441003184	/nfs/dbraw/zinc/00/31/84/441003184.db2.gz	JYTHOUNHWUDZNQ-UHFFFAOYSA-N	-1	1	332.337	1.711	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000060862332	441259654	/nfs/dbraw/zinc/25/96/54/441259654.db2.gz	XXLFNGRJSZHWRP-UHFFFAOYSA-N	-1	1	326.721	1.075	50	10		EDCAMM
CC[C@@H](C)N1C(=O)C(=CNCCc2ccccc2)C(=O)[N-]C1=S	ZINC000101045274	219115502	/nfs/dbraw/zinc/11/55/02/219115502.db2.gz	NXNWSJHQKTZZRU-POKNLVKOSA-N	-1	1	331.441	1.744	50	10		EDCAMM
CCOc1cc(N(CC)CC)ccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000000194144	209477195	/nfs/dbraw/zinc/47/71/95/209477195.db2.gz	ZTCFPXVWZATXKL-UHFFFAOYSA-N	-1	1	347.440	1.846	50	10		EDCAMM
O=C([O-])c1cc2ccccc2c(C=C2C(=O)NC(=O)NC2=O)c1O	ZINC000005771370	304229631	/nfs/dbraw/zinc/22/96/31/304229631.db2.gz	SJDBSWFFLNJUCE-UHFFFAOYSA-N	-1	1	326.264	1.833	50	10		EDCAMM
O=C([O-])[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CCO1	ZINC000534672961	448465579	/nfs/dbraw/zinc/46/55/79/448465579.db2.gz	KIZMPLBVIPSOTK-MRXNPFEDSA-N	-1	1	334.372	1.170	50	10		EDCAMM
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1	ZINC000002891464	440882668	/nfs/dbraw/zinc/88/26/68/440882668.db2.gz	VRYDEYPJFXPKBZ-UHFFFAOYSA-N	-1	1	326.264	1.394	50	10		EDCAMM
CCN(CC)c1ccc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)cc1	ZINC000019873804	212078633	/nfs/dbraw/zinc/07/86/33/212078633.db2.gz	YIPHBIMDCRKNQH-UVTDQMKNSA-N	-1	1	325.376	1.852	50	10		EDCAMM
O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=CNN1CCCCC1	ZINC000006690991	280280903	/nfs/dbraw/zinc/28/09/03/280280903.db2.gz	YONJYNNFTHJMOO-QBFSEMIESA-N	-1	1	336.461	1.437	50	10		EDCAMM
Cn1c2nc(N=NNc3ccc(Cl)cc3)nc-2c([O-])n(C)c1=O	ZINC000017174180	441239031	/nfs/dbraw/zinc/23/90/31/441239031.db2.gz	BSXHYJWNSCNRMN-UHFFFAOYSA-N	-1	1	333.739	1.725	50	10		EDCAMM
Cn1c2[n-]c(N=NNc3ccc(Cl)cc3)nc2c(=O)n(C)c1=O	ZINC000017174180	441239041	/nfs/dbraw/zinc/23/90/41/441239041.db2.gz	BSXHYJWNSCNRMN-UHFFFAOYSA-N	-1	1	333.739	1.725	50	10		EDCAMM
O=c1[nH]c(C=Cc2ccc(N3CCOCC3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000016400226	441222494	/nfs/dbraw/zinc/22/24/94/441222494.db2.gz	ICKKKLRKKUNCMN-ZZXKWVIFSA-N	-1	1	344.327	1.391	50	10		EDCAMM
O=C([O-])COc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O	ZINC000015009022	211787231	/nfs/dbraw/zinc/78/72/31/211787231.db2.gz	WETAYHSNUOABMC-GXDHUFHOSA-N	-1	1	338.319	1.611	50	10		EDCAMM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000003157621	440890196	/nfs/dbraw/zinc/89/01/96/440890196.db2.gz	ROZYDTCJKYUKSI-UHFFFAOYSA-N	-1	1	339.145	1.597	50	10		EDCAMM
CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000003157621	440890201	/nfs/dbraw/zinc/89/02/01/440890201.db2.gz	ROZYDTCJKYUKSI-UHFFFAOYSA-N	-1	1	339.145	1.597	50	10		EDCAMM
O=C([O-])[C@@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CCO1	ZINC000534672960	448465949	/nfs/dbraw/zinc/46/59/49/448465949.db2.gz	KIZMPLBVIPSOTK-INIZCTEOSA-N	-1	1	334.372	1.170	50	10		EDCAMM
CCOC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(CC)C1=O	ZINC000005817814	210542563	/nfs/dbraw/zinc/54/25/63/210542563.db2.gz	IJBUSXYXWPHECU-PKNBQFBNSA-N	-1	1	347.396	1.422	50	10		EDCAMM
O=C1[N-]C(=S)N(Cc2ccco2)C(=O)C1=CNCc1cccs1	ZINC000006493911	440994667	/nfs/dbraw/zinc/99/46/67/440994667.db2.gz	XQBYCLFYOOLKRD-WQLSENKSSA-N	-1	1	347.421	1.758	50	10	aggregator	EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1nc(-c2cccs2)cs1	ZINC000017170202	441238859	/nfs/dbraw/zinc/23/88/59/441238859.db2.gz	GNSVXNSHZGJHGL-UHFFFAOYSA-N	-1	1	336.423	1.698	50	10		EDCAMM
CC[C@H](C)N1C(=O)C(=CNCCc2ccccc2)C(=O)[N-]C1=S	ZINC000101045278	219115491	/nfs/dbraw/zinc/11/54/91/219115491.db2.gz	NXNWSJHQKTZZRU-PBBNAPBQSA-N	-1	1	331.441	1.744	50	10		EDCAMM
CCN1C(=O)NC(=O)C(=CNc2ccc(Cl)c(C(=O)[O-])c2)C1=O	ZINC000020254741	212114730	/nfs/dbraw/zinc/11/47/30/212114730.db2.gz	VGVGNGKOXKKXKF-RMKNXTFCSA-N	-1	1	337.719	1.432	50	10		EDCAMM
CC[C@@H](C)N1C(=O)C(=CNc2cccc3nonc32)C(=O)[N-]C1=S	ZINC000008770436	211003903	/nfs/dbraw/zinc/00/39/03/211003903.db2.gz	NASGDXJYSRVWFW-KGOFQHAKSA-N	-1	1	345.384	1.560	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl	ZINC000003067010	440887968	/nfs/dbraw/zinc/88/79/68/440887968.db2.gz	JOPLTDUDAJXIAC-UHFFFAOYSA-N	-1	1	326.721	1.075	50	10		EDCAMM
O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNc1ccc2c(c1)CCC2	ZINC000017823244	441245247	/nfs/dbraw/zinc/24/52/47/441245247.db2.gz	AAYKVUODZLNHFE-NTEUORMPSA-N	-1	1	327.409	1.877	50	10		EDCAMM
CCOc1ccc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)cc1OC	ZINC000033338454	441595547	/nfs/dbraw/zinc/59/55/47/441595547.db2.gz	PDBKWJJTDAHEQZ-XFFZJAGNSA-N	-1	1	328.332	1.413	50	10		EDCAMM
CN(C)c1cccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c1	ZINC000008968821	211024481	/nfs/dbraw/zinc/02/44/81/211024481.db2.gz	NQOVBVIUKACVJY-LCYFTJDESA-N	-1	1	330.413	1.454	50	10		EDCAMM
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc([O-])c(O)c1	ZINC000000156539	440803617	/nfs/dbraw/zinc/80/36/17/440803617.db2.gz	NCXJRBIQAMKPFI-UHFFFAOYSA-N	-1	1	333.321	1.125	50	10		EDCAMM
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=C1SC(=S)[N-]C1=O	ZINC000012436513	441133375	/nfs/dbraw/zinc/13/33/75/441133375.db2.gz	PTVHAZATTJHIIE-CSKARUKUSA-N	-1	1	335.366	1.739	50	10		EDCAMM
CN1C(=O)C(=CNc2ccccc2Br)C(=O)[N-]C1=S	ZINC000017207559	441238837	/nfs/dbraw/zinc/23/88/37/441238837.db2.gz	FJXJBDJNTYUSCX-SREVYHEPSA-N	-1	1	340.202	1.618	50	10		EDCAMM
COc1cc(NC=C2C(=O)[N-]C(=S)NC2=O)c(OC)cc1Cl	ZINC000016943063	441232919	/nfs/dbraw/zinc/23/29/19/441232919.db2.gz	VGXBNGVXTUHNCD-UHFFFAOYSA-N	-1	1	341.776	1.184	50	10		EDCAMM
O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=CNCc1ccco1	ZINC000005819230	440970508	/nfs/dbraw/zinc/97/05/08/440970508.db2.gz	XTMWVAPHBIOIDM-GXDHUFHOSA-N	-1	1	341.392	1.697	50	10		EDCAMM
COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000000296957	440812582	/nfs/dbraw/zinc/81/25/82/440812582.db2.gz	OIMPXLXBAYXFCP-UHFFFAOYSA-N	-1	1	341.186	1.372	50	10		EDCAMM
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1	ZINC000005006717	440933699	/nfs/dbraw/zinc/93/36/99/440933699.db2.gz	KLAFCIPTKLJLTA-UHFFFAOYSA-N	-1	1	340.291	1.703	50	10		EDCAMM
CN1C(=O)C(=Cc2ccc([O-])c(Br)c2)C(=O)N(C)C1=O	ZINC000002936922	277006220	/nfs/dbraw/zinc/00/62/20/277006220.db2.gz	DANPUINAMIYZNU-UHFFFAOYSA-N	-1	1	339.145	1.589	50	10		EDCAMM
CC(C)(C)NC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21	ZINC000021537460	202066191	/nfs/dbraw/zinc/06/61/91/202066191.db2.gz	TXAQLVGXLJNTRL-UHFFFAOYSA-N	-1	1	347.400	1.684	50	10		EDCAMM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)ccc1O	ZINC000004118905	440912159	/nfs/dbraw/zinc/91/21/59/440912159.db2.gz	SXSQINUKGBEVEJ-UHFFFAOYSA-N	-1	1	342.263	1.100	50	10		EDCAMM
COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000098086702	441149116	/nfs/dbraw/zinc/14/91/16/441149116.db2.gz	HZANXHYCKMHBKQ-XYOKQWHBSA-N	-1	1	329.381	1.441	50	10		EDCAMM
CN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)[N-]C1=S	ZINC000000465226	277005292	/nfs/dbraw/zinc/00/52/92/277005292.db2.gz	JWAYCOXURSFSIZ-DHZHZOJOSA-N	-1	1	333.388	1.682	50	10		EDCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OC	ZINC000000105206	440798821	/nfs/dbraw/zinc/79/88/21/440798821.db2.gz	XLLGMTRMYLKRBF-UHFFFAOYSA-N	-1	1	326.761	1.272	50	10		EDCAMM
CC(C)COC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000017113299	441237268	/nfs/dbraw/zinc/23/72/68/441237268.db2.gz	LSYPNENYWVKBPR-UHFFFAOYSA-N	-1	1	347.396	1.326	50	10		EDCAMM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1	ZINC000408516318	447669789	/nfs/dbraw/zinc/66/97/89/447669789.db2.gz	DODARHBUNBSEJI-UHFFFAOYSA-N	-1	1	347.443	1.425	50	10		EDCAMM
CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000005061811	210379524	/nfs/dbraw/zinc/37/95/24/210379524.db2.gz	WRQALGRJWYGHCO-WQLSENKSSA-N	-1	1	340.291	1.736	50	10		EDCAMM
CN1C(=O)/C(=C\c2ccc(Br)s2)C(=O)[N-]C1=S	ZINC000004675529	276871773	/nfs/dbraw/zinc/87/17/73/276871773.db2.gz	DHXHBTASCMMTSD-XQRVVYSFSA-N	-1	1	331.216	1.767	50	10	in-vitro	EDCAMM
CCN1C(=O)C(=CNCCc2c[nH]c3ccccc23)C(=O)[N-]C1=S	ZINC000104929085	441222783	/nfs/dbraw/zinc/22/27/83/441222783.db2.gz	NKGDWKMDZMLXPK-JLHYYAGUSA-N	-1	1	342.424	1.447	50	10		EDCAMM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(C)C2=O)cc1	ZINC000002590480	440867087	/nfs/dbraw/zinc/86/70/87/440867087.db2.gz	RQZNHCVBMFZFFX-JLHYYAGUSA-N	-1	1	332.429	1.702	50	10		EDCAMM
COc1ccccc1N1CCN(C=C2SC(=S)[N-]C2=O)CC1	ZINC000004335217	210175190	/nfs/dbraw/zinc/17/51/90/210175190.db2.gz	NXTHVCNHSJTLEO-JLHYYAGUSA-N	-1	1	335.454	1.807	50	10		EDCAMM
CN(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)cc1	ZINC000005100935	210389806	/nfs/dbraw/zinc/38/98/06/210389806.db2.gz	IAZWQWGLPITWNJ-UKTHLTGXSA-N	-1	1	330.413	1.454	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Br)cc1	ZINC000006493885	440994867	/nfs/dbraw/zinc/99/48/67/440994867.db2.gz	WQQVDYFCVMRAMA-UHFFFAOYSA-N	-1	1	326.175	1.276	50	10		EDCAMM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1	ZINC000004524313	210213894	/nfs/dbraw/zinc/21/38/94/210213894.db2.gz	AEQKBXVUAWENSY-UHFFFAOYSA-N	-1	1	340.291	1.703	50	10		EDCAMM
Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000017011245	211945608	/nfs/dbraw/zinc/94/56/08/211945608.db2.gz	CPDFTOLLTPVTDT-UHFFFAOYSA-N	-1	1	340.202	1.584	50	10		EDCAMM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000003157620	440890156	/nfs/dbraw/zinc/89/01/56/440890156.db2.gz	KBXSOYXHQSZGHF-UHFFFAOYSA-N	-1	1	325.118	1.207	50	10		EDCAMM
COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000003157620	440890161	/nfs/dbraw/zinc/89/01/61/440890161.db2.gz	KBXSOYXHQSZGHF-UHFFFAOYSA-N	-1	1	325.118	1.207	50	10		EDCAMM
C[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)C12CC3CC(CC(C3)C1)C2	ZINC000075260972	441515292	/nfs/dbraw/zinc/51/52/92/441515292.db2.gz	ZYKPGGRGWFOCGV-RODOAYEJSA-N	-1	1	333.457	1.596	50	10		EDCAMM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000003880440	440906645	/nfs/dbraw/zinc/90/66/45/440906645.db2.gz	YFTHJJMYZPYMPQ-UHFFFAOYSA-N	-1	1	338.161	1.265	50	10		EDCAMM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000003880440	440906650	/nfs/dbraw/zinc/90/66/50/440906650.db2.gz	YFTHJJMYZPYMPQ-UHFFFAOYSA-N	-1	1	338.161	1.265	50	10		EDCAMM
C[C@@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)NC(=O)NC3=O)ccc21	ZINC000004703701	210253221	/nfs/dbraw/zinc/25/32/21/210253221.db2.gz	PVAGDPLBCSFOTA-QMMMGPOBSA-N	-1	1	327.296	1.036	50	10		EDCAMM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000008997683	211029952	/nfs/dbraw/zinc/02/99/52/211029952.db2.gz	YSDNLSPJOCJXLX-UHFFFAOYSA-N	-1	1	343.364	1.569	50	10		EDCAMM
COC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000008997683	211029954	/nfs/dbraw/zinc/02/99/54/211029954.db2.gz	YSDNLSPJOCJXLX-UHFFFAOYSA-N	-1	1	343.364	1.569	50	10		EDCAMM
COC(=O)Cn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000008997683	211029959	/nfs/dbraw/zinc/02/99/59/211029959.db2.gz	YSDNLSPJOCJXLX-UHFFFAOYSA-N	-1	1	343.364	1.569	50	10		EDCAMM
COc1ccc(Br)c(C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000000483897	277399564	/nfs/dbraw/zinc/39/95/64/277399564.db2.gz	AJKPMFQFBVDHNS-UHFFFAOYSA-N	-1	1	341.186	1.372	50	10		EDCAMM
O=C([O-])COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000004699709	210252159	/nfs/dbraw/zinc/25/21/59/210252159.db2.gz	WETAYHSNUOABMC-UVTDQMKNSA-N	-1	1	338.319	1.611	50	10		EDCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC[C@@H]1CCCO1	ZINC000005347605	440951303	/nfs/dbraw/zinc/95/13/03/440951303.db2.gz	NUMQWEJOKQIVBH-JTQLQIEISA-N	-1	1	333.340	1.350	50	10		EDCAMM
CN(C1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1)S(C)(=O)=O	ZINC000069566144	441975983	/nfs/dbraw/zinc/97/59/83/441975983.db2.gz	FUOZMEWHEPKUFN-UHFFFAOYSA-N	-1	1	343.405	1.156	50	10		EDCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(C)C	ZINC000002949576	440884399	/nfs/dbraw/zinc/88/43/99/440884399.db2.gz	KWAPLUGXMFGVPI-UHFFFAOYSA-N	-1	1	338.747	1.885	50	10		EDCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(C)C	ZINC000002949576	440884404	/nfs/dbraw/zinc/88/44/04/440884404.db2.gz	KWAPLUGXMFGVPI-UHFFFAOYSA-N	-1	1	338.747	1.885	50	10		EDCAMM
CN1c2ccccc2C(C)(C)C1=CC=C1C(=O)[N-]C(=S)NC1=O	ZINC000012514721	211396153	/nfs/dbraw/zinc/39/61/53/211396153.db2.gz	PUSFVWZINMLTED-LCYFTJDESA-N	-1	1	327.409	1.755	50	10		EDCAMM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1	ZINC000002891471	440882318	/nfs/dbraw/zinc/88/23/18/440882318.db2.gz	REOBGWBQLJKHPG-UHFFFAOYSA-N	-1	1	326.264	1.394	50	10		EDCAMM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccco1	ZINC000003141079	440889729	/nfs/dbraw/zinc/88/97/29/440889729.db2.gz	NVHHOLMFKRSLBF-UHFFFAOYSA-N	-1	1	342.332	1.413	50	10		EDCAMM
CN(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)cc1	ZINC000096787043	442150514	/nfs/dbraw/zinc/15/05/14/442150514.db2.gz	IAZWQWGLPITWNJ-LCYFTJDESA-N	-1	1	330.413	1.454	50	10		EDCAMM
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	ZINC000000308650	440814581	/nfs/dbraw/zinc/81/45/81/440814581.db2.gz	BKBURBXAKNDAPN-UHFFFAOYSA-N	-1	1	335.337	1.987	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CC=Cc1coc2ccccc2c1=O	ZINC000000554555	440829258	/nfs/dbraw/zinc/82/92/58/440829258.db2.gz	POIIEOXVQATVNY-ONEGZZNKSA-N	-1	1	326.333	1.264	50	10		EDCAMM
CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=S)n(C)c3[O-])=NN2)cc1	ZINC000101763381	204021437	/nfs/dbraw/zinc/02/14/37/204021437.db2.gz	STEXCXYLCSPPKW-LLVKDONJSA-N	-1	1	345.428	1.653	50	10		EDCAMM
CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000000566003	440830953	/nfs/dbraw/zinc/83/09/53/440830953.db2.gz	PFEBZRJOQIVRFQ-UHFFFAOYSA-N	-1	1	340.788	1.662	50	10		EDCAMM
CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)cc1	ZINC000002372280	440861518	/nfs/dbraw/zinc/86/15/18/440861518.db2.gz	YAIZUTXBYCUQPJ-UKTHLTGXSA-N	-1	1	331.397	1.787	50	10		EDCAMM
O=C1COc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2N1	ZINC000004411722	440917961	/nfs/dbraw/zinc/91/79/61/440917961.db2.gz	FQEOLOAHUCTKHC-UHFFFAOYSA-N	-1	1	348.336	1.547	50	10		EDCAMM
CCOc1ccc(Br)c(/C=C2\C(=O)[N-]C(=O)NC2=O)c1	ZINC000003460741	440900509	/nfs/dbraw/zinc/90/05/09/440900509.db2.gz	RVQGEVROOSRATG-UHFFFAOYSA-N	-1	1	339.145	1.597	50	10		EDCAMM
CCOc1ccc(Br)c(/C=C2/C(=O)[N-]C(=O)NC2=O)c1	ZINC000003460741	440900513	/nfs/dbraw/zinc/90/05/13/440900513.db2.gz	RVQGEVROOSRATG-UHFFFAOYSA-N	-1	1	339.145	1.597	50	10		EDCAMM
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=C1SC(=S)[N-]C1=O	ZINC000004834250	440928580	/nfs/dbraw/zinc/92/85/80/440928580.db2.gz	PTVHAZATTJHIIE-NTMALXAHSA-N	-1	1	335.366	1.739	50	10		EDCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1nc(-c2ccccc2)cs1	ZINC000017192239	441238688	/nfs/dbraw/zinc/23/86/88/441238688.db2.gz	JWLSQZFNLSREAE-UHFFFAOYSA-N	-1	1	330.394	1.637	50	10		EDCAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(O)c1)CC(=O)N2	ZINC000096515406	442145822	/nfs/dbraw/zinc/14/58/22/442145822.db2.gz	JUHDZXNXIMTDAQ-QMMMGPOBSA-N	-1	1	333.369	1.767	50	10		EDCAMM
Cc1no[n+]([O-])c1COc1ccccc1C=C1SC(=S)[N-]C1=O	ZINC000012561110	441135890	/nfs/dbraw/zinc/13/58/90/441135890.db2.gz	UARXDVJSOUUZEJ-SDQBBNPISA-N	-1	1	349.393	1.684	50	10		EDCAMM
CCCN1C(=O)C(=CNc2ccc(C(=O)OC)cc2)C(=O)[N-]C1=S	ZINC000102909333	206418892	/nfs/dbraw/zinc/41/88/92/206418892.db2.gz	BOPOLDRYCYTRJU-XFXZXTDPSA-N	-1	1	347.396	1.422	50	10		EDCAMM
Cc1nn(-c2ccc(C)cc2)c(C)c1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000004649293	440923685	/nfs/dbraw/zinc/92/36/85/440923685.db2.gz	KBJKLMKKQSWLLG-UHFFFAOYSA-N	-1	1	340.408	1.712	50	10		EDCAMM
CCCCCCN1C(=O)[N-]C(=O)C(=CNN2CCN(C)CC2)C1=O	ZINC000020291019	202036472	/nfs/dbraw/zinc/03/64/72/202036472.db2.gz	PJDHEOQLXWXISM-OUKQBFOZSA-N	-1	1	337.424	1.121	50	10		EDCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1CC(F)(F)F	ZINC000003185451	440889504	/nfs/dbraw/zinc/88/95/04/440889504.db2.gz	KTXUSOWFWHPPSY-UHFFFAOYSA-N	-1	1	331.319	1.582	50	10		EDCAMM
Cn1c2nc(N=NNc3cccc(Cl)c3)nc-2c([O-])n(C)c1=O	ZINC000004478089	440919244	/nfs/dbraw/zinc/91/92/44/440919244.db2.gz	QWNBINZKTOUVMX-UHFFFAOYSA-N	-1	1	333.739	1.725	50	10		EDCAMM
Cn1c2[n-]c(N=NNc3cccc(Cl)c3)nc2c(=O)n(C)c1=O	ZINC000004478089	440919250	/nfs/dbraw/zinc/91/92/50/440919250.db2.gz	QWNBINZKTOUVMX-UHFFFAOYSA-N	-1	1	333.739	1.725	50	10		EDCAMM
CC[C@@H](C)N1C(=O)C(=CNCCc2ccccc2)C(=O)[N-]C1=S	ZINC000005925083	440974714	/nfs/dbraw/zinc/97/47/14/440974714.db2.gz	NXNWSJHQKTZZRU-SLQMCABGSA-N	-1	1	331.441	1.744	50	10		EDCAMM
C[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)C12CC3CC(CC(C3)C1)C2	ZINC000075260971	441515300	/nfs/dbraw/zinc/51/53/00/441515300.db2.gz	ZYKPGGRGWFOCGV-DPTRXVFKSA-N	-1	1	333.457	1.596	50	10		EDCAMM
O=C([O-])c1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1	ZINC000015013934	304231479	/nfs/dbraw/zinc/23/14/79/304231479.db2.gz	KSHWKZWBUFFCAD-LCYFTJDESA-N	-1	1	328.324	1.789	50	10		EDCAMM
CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000100374192	219097753	/nfs/dbraw/zinc/09/77/53/219097753.db2.gz	HZGJVIYWHPTDTC-GFCCVEGCSA-N	-1	1	341.477	1.614	50	10		EDCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCc1ccncc1	ZINC000005347118	440950668	/nfs/dbraw/zinc/95/06/68/440950668.db2.gz	XSIAHWQYURHYHK-UHFFFAOYSA-N	-1	1	340.335	1.767	50	10		EDCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCc1cccnc1	ZINC000005350302	440951234	/nfs/dbraw/zinc/95/12/34/440951234.db2.gz	XFGXSDKDCOORAN-UHFFFAOYSA-N	-1	1	340.335	1.767	50	10		EDCAMM
COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3cc(O)c(O)cc32)cc1OC	ZINC000003847449	440906422	/nfs/dbraw/zinc/90/64/22/440906422.db2.gz	AKSMAPRNZUUFCR-SJKOYZFVSA-N	-1	1	345.351	1.803	50	10		EDCAMM
COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=S)[N-]C1=O	ZINC000033349345	441595371	/nfs/dbraw/zinc/59/53/71/441595371.db2.gz	VSPILHCSSFVETN-XFFZJAGNSA-N	-1	1	333.413	1.649	50	10		EDCAMM
CCOc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)OCO2	ZINC000004723943	210259284	/nfs/dbraw/zinc/25/92/84/210259284.db2.gz	OMSYOVUUYGZUKI-WTKPLQERSA-N	-1	1	334.353	1.071	50	10		EDCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCCCOC(C)C	ZINC000006623866	441002566	/nfs/dbraw/zinc/00/25/66/441002566.db2.gz	CZCOZEOUJYBXAN-UHFFFAOYSA-N	-1	1	349.383	1.986	50	10		EDCAMM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)c1	ZINC000005516491	210480780	/nfs/dbraw/zinc/48/07/80/210480780.db2.gz	ZHIKNBVMTRSUEW-XYOKQWHBSA-N	-1	1	345.380	1.175	50	10		EDCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(C)(=O)=O	ZINC000002988006	440886707	/nfs/dbraw/zinc/88/67/07/440886707.db2.gz	LJAWGISKFMWHCH-UXBLZVDNSA-N	-1	1	345.423	1.522	50	10		EDCAMM
CCOc1cc2c(cc1C=C1C(=O)[N-]C(=S)N(C)C1=O)OCO2	ZINC000015012202	441193419	/nfs/dbraw/zinc/19/34/19/441193419.db2.gz	OMSYOVUUYGZUKI-RUDMXATFSA-N	-1	1	334.353	1.071	50	10		EDCAMM