smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000004998632	401728074	/nfs/dbraw/zinc/72/80/74/401728074.db2.gz	KGOAPNAHHJUQHB-UHFFFAOYSA-N	0	2	322.411	2.465	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000100572478	402141658	/nfs/dbraw/zinc/14/16/58/402141658.db2.gz	NKQUIQVZHWSVQC-JTFSYWPOSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000100572478	402141661	/nfs/dbraw/zinc/14/16/61/402141661.db2.gz	NKQUIQVZHWSVQC-JTFSYWPOSA-N	0	2	323.393	2.494	50	30		DEEALN
N#Cc1ccc(Oc2cccc(C(=O)NC3=NC(=O)CN3)c2)cc1	ZINC000069901130	402250570	/nfs/dbraw/zinc/25/05/70/402250570.db2.gz	RWHARNQVKRXXCF-UHFFFAOYSA-N	0	2	320.308	2.141	50	30		DEEALN
CCOc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1	ZINC000110516917	424851520	/nfs/dbraw/zinc/85/15/20/424851520.db2.gz	AZTGECICMILNBR-HWYHOQROSA-N	0	2	300.310	2.314	50	30		DEEALN
CC/N=C1/S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1CC	ZINC000013151394	520206467	/nfs/dbraw/zinc/20/64/67/520206467.db2.gz	JBGGPDZJFJSANA-CMTMBAJVSA-N	0	2	319.430	2.033	50	30		DEEALN
N#Cc1ccccc1C=CC(=O)NS(=O)(=O)c1cccnc1	ZINC000042322541	401932590	/nfs/dbraw/zinc/93/25/90/401932590.db2.gz	FXEZMWVDJSMBOI-BQYQJAHWSA-N	0	2	313.338	2.312	50	30		DEEALN
CCOc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1	ZINC000105508289	402208306	/nfs/dbraw/zinc/20/83/06/402208306.db2.gz	AZTGECICMILNBR-YXMGTMDOSA-N	0	2	300.310	2.314	50	30		DEEALN
O=C(C=C(O)c1ccccc1)C[C@]1(O)C(=O)Nc2ccccc21	ZINC000015082443	527592734	/nfs/dbraw/zinc/59/27/34/527592734.db2.gz	MHAAUNPAGNNOIK-CFINBHSISA-N	0	2	309.321	2.385	50	30		DEEALN
O=C1Nc2ccccc2N[C@@H]1c1oc(-c2ccccc2)cc1O	ZINC000001650399	401709055	/nfs/dbraw/zinc/70/90/55/401709055.db2.gz	VWSXFUINYBNAIR-SJORKVTESA-N	0	2	306.321	2.428	50	30		DEEALN
Cc1cc(S(=O)(=O)NC(=O)c2cccc3c[nH]nc32)c(C)o1	ZINC000097035230	402100806	/nfs/dbraw/zinc/10/08/06/402100806.db2.gz	XADGNIZEKRKYOU-UHFFFAOYSA-N	0	2	319.342	2.466	50	30		DEEALN
C/C=N/N=C1/NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1	ZINC000006185493	181317740	/nfs/dbraw/zinc/31/77/40/181317740.db2.gz	HSEYTIDQDMMJSL-ZKGXUZCXSA-N	0	2	318.402	2.225	50	30		DEEALN
C/C=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S1	ZINC000006185493	181317743	/nfs/dbraw/zinc/31/77/43/181317743.db2.gz	HSEYTIDQDMMJSL-ZKGXUZCXSA-N	0	2	318.402	2.225	50	30		DEEALN
CC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Cl)S1	ZINC000006655190	181366086	/nfs/dbraw/zinc/36/60/86/181366086.db2.gz	JEWMBHNSNPYLBO-SNVBAGLBSA-N	0	2	311.794	2.276	50	30		DEEALN
CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S1	ZINC000006655190	181366088	/nfs/dbraw/zinc/36/60/88/181366088.db2.gz	JEWMBHNSNPYLBO-SNVBAGLBSA-N	0	2	311.794	2.276	50	30		DEEALN
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2nccs2)c1=O	ZINC000003262628	401723479	/nfs/dbraw/zinc/72/34/79/401723479.db2.gz	ZFTRCKXDSNNHLN-UHFFFAOYSA-N	0	2	323.333	2.102	50	30	aggregator	DEEALN
Cc1ccc(S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000000286935	401693513	/nfs/dbraw/zinc/69/35/13/401693513.db2.gz	TYCNEYCZTJHLJI-UHFFFAOYSA-N	0	2	304.371	2.388	50	30		DEEALN
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC1(Cl)Cl	ZINC000105262062	424849328	/nfs/dbraw/zinc/84/93/28/424849328.db2.gz	QSLFFTDATZOXQE-ZJUUUORDSA-N	0	2	303.189	2.338	50	30		DEEALN
COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O	ZINC000003881954	181052319	/nfs/dbraw/zinc/05/23/19/181052319.db2.gz	LRCLIDIMQAJTGZ-GQCTYLIASA-N	0	2	302.282	2.264	50	30	biogenic	DEEALN
Cc1cc(C)nc(C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665042	401860780	/nfs/dbraw/zinc/86/07/80/401860780.db2.gz	XQXYFCKFPFZIOT-GFCCVEGCSA-N	0	2	318.377	2.137	50	30		DEEALN
Cc1cc(C)nc([C@H](C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665042	401860783	/nfs/dbraw/zinc/86/07/83/401860783.db2.gz	XQXYFCKFPFZIOT-GFCCVEGCSA-N	0	2	318.377	2.137	50	30		DEEALN
C=CC[N@H+](Cc1ccsc1)Cc1cc(=O)n2nc(C)[n-]c2n1	ZINC001529146003	1070882172	/nfs/dbraw/zinc/88/21/72/1070882172.db2.gz	SXZLHTIITKMVDB-UHFFFAOYSA-N	0	2	315.402	2.388	50	30		DEEALN
C=CC[N@@H+](Cc1ccsc1)Cc1cc(=O)n2nc(C)[n-]c2n1	ZINC001529146003	1070882190	/nfs/dbraw/zinc/88/21/90/1070882190.db2.gz	SXZLHTIITKMVDB-UHFFFAOYSA-N	0	2	315.402	2.388	50	30		DEEALN
CCOC(=O)[C@@H](C(C)=O)[C@@H](c1ccc(OC)cc1)C(C#N)C#N	ZINC000006998288	353999679	/nfs/dbraw/zinc/99/96/79/353999679.db2.gz	BXEYWEDCONAZQR-HOTGVXAUSA-N	0	2	314.341	2.210	50	30		DEEALN
CCOC(=O)[C@@H](C(C)=O)[C@H](c1cccc(OC)c1)C(C#N)C#N	ZINC000075259945	355076656	/nfs/dbraw/zinc/07/66/56/355076656.db2.gz	KUTFFALAPAREAH-JKSUJKDBSA-N	0	2	314.341	2.210	50	30		DEEALN
COc1ccc([C@](C)(C#N)NC(=O)C(F)(F)F)cc1OC	ZINC000095348113	402025901	/nfs/dbraw/zinc/02/59/01/402025901.db2.gz	BUVNFKOAIXXHHU-LBPRGKRZSA-N	0	2	302.252	2.121	50	30		DEEALN
CCn1cc(S(=O)(=O)NC(=O)c2ccc(C)cc2C)cn1	ZINC000096453137	402090925	/nfs/dbraw/zinc/09/09/25/402090925.db2.gz	WMUSZXJYFOVMHI-UHFFFAOYSA-N	0	2	307.375	2.213	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000100637833	402142152	/nfs/dbraw/zinc/14/21/52/402142152.db2.gz	XDGYPDBQJRLQFF-KXEGMRRWSA-N	0	2	305.403	2.355	50	30		DEEALN
CC/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000100637833	402142156	/nfs/dbraw/zinc/14/21/56/402142156.db2.gz	XDGYPDBQJRLQFF-KXEGMRRWSA-N	0	2	305.403	2.355	50	30		DEEALN
COc1ccc(C2=NNC(=O)C2=NNc2ccc(F)cc2)cc1	ZINC000071472869	402275032	/nfs/dbraw/zinc/27/50/32/402275032.db2.gz	RAZCXDYVEFJEFZ-UHFFFAOYSA-N	0	2	312.304	2.136	50	30		DEEALN
C=CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000024573820	182384009	/nfs/dbraw/zinc/38/40/09/182384009.db2.gz	HGDPADAXSMUZLQ-IWAYRVGRSA-N	0	2	312.321	2.480	50	30		DEEALN
O=C1Nc2c(cc(Br)cc2Br)/C1=N/O	ZINC000005730957	401731135	/nfs/dbraw/zinc/73/11/35/401731135.db2.gz	NBWPFELLFFGSAM-UHFFFAOYSA-N	0	2	319.940	2.342	50	30		DEEALN
N#Cc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000074848	401687717	/nfs/dbraw/zinc/68/77/17/401687717.db2.gz	FQCDEMSAPFDDKJ-UHFFFAOYSA-N	0	2	303.299	2.267	50	30		DEEALN
CCOC(=O)[C@H](C(C)=O)[C@@H](c1ccc(OC)cc1)C(C#N)C#N	ZINC000006998282	353999564	/nfs/dbraw/zinc/99/95/64/353999564.db2.gz	BXEYWEDCONAZQR-CVEARBPZSA-N	0	2	314.341	2.210	50	30		DEEALN
CCn1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cn1	ZINC000002767522	401717800	/nfs/dbraw/zinc/71/78/00/401717800.db2.gz	ANFZTFWLUKXJAS-UHFFFAOYSA-N	0	2	321.196	2.352	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000012632090	401789688	/nfs/dbraw/zinc/78/96/88/401789688.db2.gz	NKQUIQVZHWSVQC-FUYOWACXSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1/S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000012632090	401789691	/nfs/dbraw/zinc/78/96/91/401789691.db2.gz	NKQUIQVZHWSVQC-FUYOWACXSA-N	0	2	323.393	2.494	50	30		DEEALN
CCNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252591617	402658978	/nfs/dbraw/zinc/65/89/78/402658978.db2.gz	BBJCMPPRHXMQMT-CYBMUJFWSA-N	0	2	319.430	2.473	50	30		DEEALN
CCNC(=O)CC1SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252591617	402658981	/nfs/dbraw/zinc/65/89/81/402658981.db2.gz	BBJCMPPRHXMQMT-CYBMUJFWSA-N	0	2	319.430	2.473	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000101127023	402143723	/nfs/dbraw/zinc/14/37/23/402143723.db2.gz	UILIDAIWUBQGAT-ICFTUWFRSA-N	0	2	323.443	2.297	50	30		DEEALN
C/N=C1\S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000101127023	402143728	/nfs/dbraw/zinc/14/37/28/402143728.db2.gz	UILIDAIWUBQGAT-ICFTUWFRSA-N	0	2	323.443	2.297	50	30		DEEALN
CNC(=O)C(C#N)=C(O)c1ccc(OC)c(-c2ccccc2)c1	ZINC000103732465	424848732	/nfs/dbraw/zinc/84/87/32/424848732.db2.gz	LJFKTLLMAOKDMF-OAHLLOKOSA-N	0	2	308.337	2.431	50	30		DEEALN
CCOC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl	ZINC000000500728	285833878	/nfs/dbraw/zinc/83/38/78/285833878.db2.gz	MQFPUDFVKBOKAR-JTQLQIEISA-N	0	2	303.701	2.261	50	30		DEEALN
C=CC/N=C1\S[C@H](C)C(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000100842628	402142771	/nfs/dbraw/zinc/14/27/71/402142771.db2.gz	IVENNWFAMWJAKK-PHIZWAGYSA-N	0	2	324.427	2.190	50	30		DEEALN
C=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000100842628	402142774	/nfs/dbraw/zinc/14/27/74/402142774.db2.gz	IVENNWFAMWJAKK-PHIZWAGYSA-N	0	2	324.427	2.190	50	30		DEEALN
Cn1cc(S(=O)(=O)NC(=O)CCCc2ccccc2)cn1	ZINC000048676346	527282792	/nfs/dbraw/zinc/28/27/92/527282792.db2.gz	GAGQBHLODFHXFV-UHFFFAOYSA-N	0	2	307.375	2.088	50	30		DEEALN
N#C[C@@H](C(=O)c1cnn(-c2ccccc2)n1)c1ccc(F)cn1	ZINC000078984856	355289112	/nfs/dbraw/zinc/28/91/12/355289112.db2.gz	VGEBWOPNZHMOJI-CYBMUJFWSA-N	0	2	307.288	2.291	50	30		DEEALN
N#CC(C(=O)c1cnn(-c2ccccc2)n1)c1ccc(F)cn1	ZINC000078984856	355289116	/nfs/dbraw/zinc/28/91/16/355289116.db2.gz	VGEBWOPNZHMOJI-CYBMUJFWSA-N	0	2	307.288	2.291	50	30		DEEALN
N#C[C@H]1C(=O)NC(N2CCc3ccccc32)=NC12CCCCC2	ZINC000009096612	401759198	/nfs/dbraw/zinc/75/91/98/401759198.db2.gz	WUIGEFCKYPAWFX-AWEZNQCLSA-N	0	2	308.385	2.378	50	30		DEEALN
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C#N)cc1	ZINC000010720922	401771856	/nfs/dbraw/zinc/77/18/56/401771856.db2.gz	ZBWLUBRKGMEDTE-UHFFFAOYSA-N	0	2	324.365	2.128	50	30		DEEALN
N#CC(C(=O)NC[C@@H]1CCCO1)=C(O)c1cccc2ccccc21	ZINC000103502322	424848513	/nfs/dbraw/zinc/84/85/13/424848513.db2.gz	OTTPRRXQDFVHFK-WMLDXEAASA-N	0	2	322.364	2.457	50	30		DEEALN
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(CC)c1	ZINC000089977551	185273350	/nfs/dbraw/zinc/27/33/50/185273350.db2.gz	BGZORNWAIZUVPJ-UHFFFAOYSA-N	0	2	319.390	2.007	50	30		DEEALN
N#C[C@H](C(=O)c1cnn(-c2ccccc2)n1)c1ccc(F)cn1	ZINC000078984848	355289292	/nfs/dbraw/zinc/28/92/92/355289292.db2.gz	VGEBWOPNZHMOJI-ZDUSSCGKSA-N	0	2	307.288	2.291	50	30		DEEALN
N#CC(C(=O)c1cnn(-c2ccccc2)n1)c1ccc(F)cn1	ZINC000078984848	355289296	/nfs/dbraw/zinc/28/92/96/355289296.db2.gz	VGEBWOPNZHMOJI-ZDUSSCGKSA-N	0	2	307.288	2.291	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000013471655	401800155	/nfs/dbraw/zinc/80/01/55/401800155.db2.gz	CJYUMXMICQEOQV-SUQMRRJOSA-N	0	2	305.403	2.192	50	30		DEEALN
C/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000013471655	401800158	/nfs/dbraw/zinc/80/01/58/401800158.db2.gz	CJYUMXMICQEOQV-SUQMRRJOSA-N	0	2	305.403	2.192	50	30		DEEALN
CC/N=C1/S[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CC	ZINC000100878957	402143040	/nfs/dbraw/zinc/14/30/40/402143040.db2.gz	QLJULGLASUDEHU-VVLLMFOMSA-N	0	2	311.451	2.165	50	30		DEEALN
O=C1Nc2ccccc2C1=NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000252623972	402659594	/nfs/dbraw/zinc/65/95/94/402659594.db2.gz	PDHSMPMGIUMIFY-UHFFFAOYSA-N	0	2	310.269	2.076	50	30		DEEALN
Cc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000036089813	527158787	/nfs/dbraw/zinc/15/87/87/527158787.db2.gz	QAIWZXLGDXPKLS-RQZCQDPDSA-N	0	2	324.296	2.201	50	30		DEEALN
CCOc1ccccc1C=CC(=O)c1c(O)cc(C)oc1=O	ZINC000105639421	402209061	/nfs/dbraw/zinc/20/90/61/402209061.db2.gz	KQCWJLMIWZLNTL-HLRDLLSLSA-N	0	2	300.310	2.314	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000016711656	182058676	/nfs/dbraw/zinc/05/86/76/182058676.db2.gz	UILIDAIWUBQGAT-BFWGRDPESA-N	0	2	323.443	2.297	50	30		DEEALN
C/N=C1/S[C@H](CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000016711656	182058677	/nfs/dbraw/zinc/05/86/77/182058677.db2.gz	UILIDAIWUBQGAT-BFWGRDPESA-N	0	2	323.443	2.297	50	30		DEEALN
CCOc1ccccc1C=CC(=O)c1c(O)cc(C)oc1=O	ZINC000003543707	401724840	/nfs/dbraw/zinc/72/48/40/401724840.db2.gz	KQCWJLMIWZLNTL-ROJDOSBLSA-N	0	2	300.310	2.314	50	30		DEEALN
CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000102786801	402172431	/nfs/dbraw/zinc/17/24/31/402172431.db2.gz	SCCKSQOVKDHMOW-WAVCKPEOSA-N	0	2	300.310	2.314	50	30		DEEALN
CC(C)(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1	ZINC000170619573	402507716	/nfs/dbraw/zinc/50/77/16/402507716.db2.gz	OWYHDBISCIYCMS-UHFFFAOYSA-N	0	2	314.374	2.088	50	30		DEEALN
C=CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000105640377	194116895	/nfs/dbraw/zinc/11/68/95/194116895.db2.gz	HGDPADAXSMUZLQ-QWPQOLDESA-N	0	2	312.321	2.480	50	30		DEEALN
N#Cc1ccccc1S(=O)(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004344444	401726314	/nfs/dbraw/zinc/72/63/14/401726314.db2.gz	UEUQTSJPVKMVEJ-UHFFFAOYSA-N	0	2	303.299	2.267	50	30		DEEALN
CN(C)/C=C1\C(=O)c2sccc2[C@H]1NC(=O)C(F)(F)F	ZINC000012861331	401792897	/nfs/dbraw/zinc/79/28/97/401792897.db2.gz	CMVMKIWABGOSPV-GRKOMRHMSA-N	0	2	304.293	2.110	50	30		DEEALN
O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000095349724	402026623	/nfs/dbraw/zinc/02/66/23/402026623.db2.gz	UMACOWNUVRRBOQ-DTWKUNHWSA-N	0	2	307.697	2.378	50	30		DEEALN
Cc1cc(S(=O)(=O)NC(=O)c2c[nH]c(C#N)c2)c(C)s1	ZINC000097049006	402102792	/nfs/dbraw/zinc/10/27/92/402102792.db2.gz	PRAATDMSDGLYPF-UHFFFAOYSA-N	0	2	309.372	2.258	50	30		DEEALN
N#CCCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097109054	402108316	/nfs/dbraw/zinc/10/83/16/402108316.db2.gz	LOVCTTIILMISJL-UHFFFAOYSA-N	0	2	315.285	2.449	50	30		DEEALN
CCNC(=O)C[C@@H]1S/C(=N\c2ccccc2C)N(C)C1=O	ZINC000100204712	402140291	/nfs/dbraw/zinc/14/02/91/402140291.db2.gz	FDXKWQUWOLZNDX-JTFSYWPOSA-N	0	2	305.403	2.083	50	30		DEEALN
COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)C/C2=N\O	ZINC000095921804	286260487	/nfs/dbraw/zinc/26/04/87/286260487.db2.gz	NPXXPZOFKWAMQL-MBQKDTGSSA-N	0	2	318.251	2.005	50	30		DEEALN
CCCNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]nc1C	ZINC000078899991	185125689	/nfs/dbraw/zinc/12/56/89/185125689.db2.gz	NTSBJAWKCFJLSA-UHFFFAOYSA-N	0	2	319.390	2.213	50	30		DEEALN
N#Cc1c(N)nc2c(c1N)[C@H](C(C#N)C#N)c1ccccc1O2	ZINC000018276498	182101584	/nfs/dbraw/zinc/10/15/84/182101584.db2.gz	NZIXTYUXMDMQMG-GFCCVEGCSA-N	0	2	302.297	2.019	50	30		DEEALN
C=CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000024573824	182383742	/nfs/dbraw/zinc/38/37/42/182383742.db2.gz	HGDPADAXSMUZLQ-OZSKJFCKSA-N	0	2	312.321	2.480	50	30		DEEALN
O=S(=O)(N=C(O)Nc1cccc2n[nH]cc21)c1ccccc1	ZINC000008855430	401756786	/nfs/dbraw/zinc/75/67/86/401756786.db2.gz	JPHHAHODLFPCDD-UHFFFAOYSA-N	0	2	316.342	2.278	50	30		DEEALN
CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccnc2)n1	ZINC000075572798	401763078	/nfs/dbraw/zinc/76/30/78/401763078.db2.gz	CGRDOHVFUWCCAB-JTQLQIEISA-N	0	2	301.327	2.205	50	30		DEEALN
N#Cc1c(N)oc2c1cc(O)c1c2C(=O)c2ccccc2C1=O	ZINC000004037390	303177172	/nfs/dbraw/zinc/17/71/72/303177172.db2.gz	LATVFWSHQUYEAD-UHFFFAOYSA-N	0	2	304.261	2.368	50	30	biogenic	DEEALN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000097081322	684054589	/nfs/dbraw/zinc/05/45/89/684054589.db2.gz	WSSYYNHFERYZSA-UHFFFAOYSA-N	0	2	322.777	2.419	50	30		DEEALN
Cc1nc(C=CC(=O)NS(=O)(=O)c2cccnc2)cs1	ZINC000042322933	183254403	/nfs/dbraw/zinc/25/44/03/183254403.db2.gz	WKCPJDYUILNEOW-SNAWJCMRSA-N	0	2	309.372	2.205	50	30		DEEALN
N#CC(C(=O)c1ccco1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000009338869	401761461	/nfs/dbraw/zinc/76/14/61/401761461.db2.gz	GRUVFHGAJDZYFN-NSHDSACASA-N	0	2	320.312	2.280	50	30		DEEALN
Nc1ccccc1-c1nnc(NN=Cc2ccccc2)[nH]c1=O	ZINC000015015714	401815019	/nfs/dbraw/zinc/81/50/19/401815019.db2.gz	XZCNDSMZOWSYDJ-VCHYOVAHSA-N	0	2	306.329	2.272	50	30		DEEALN
N#CC(C(=O)NC[C@@H]1CCCO1)=C(O)c1cccc2ccccc21	ZINC000103502325	424848676	/nfs/dbraw/zinc/84/86/76/424848676.db2.gz	OTTPRRXQDFVHFK-YOEHRIQHSA-N	0	2	322.364	2.457	50	30		DEEALN
COc1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000103503507	424848744	/nfs/dbraw/zinc/84/87/44/424848744.db2.gz	XIHRQYARGKXGHE-INIZCTEOSA-N	0	2	308.337	2.334	50	30		DEEALN
CC(C)c1csc([C@H](C#N)C(=O)c2ccn(C)c(=O)c2)n1	ZINC000080456757	519857240	/nfs/dbraw/zinc/85/72/40/519857240.db2.gz	YJZLRFHDCPIFTF-LLVKDONJSA-N	0	2	301.371	2.455	50	30		DEEALN
CC/N=C1\S[C@@H](CC(=O)NCc2ccccc2)C(=O)N1CC	ZINC000101918467	684057160	/nfs/dbraw/zinc/05/71/60/684057160.db2.gz	JBGGPDZJFJSANA-WPCFGXOUSA-N	0	2	319.430	2.033	50	30		DEEALN
CCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1	ZINC000006888125	401734028	/nfs/dbraw/zinc/73/40/28/401734028.db2.gz	YGWRMJKYSTYVPF-LLVKDONJSA-N	0	2	309.366	2.152	50	30		DEEALN
CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1	ZINC000006888125	401734031	/nfs/dbraw/zinc/73/40/31/401734031.db2.gz	YGWRMJKYSTYVPF-LLVKDONJSA-N	0	2	309.366	2.152	50	30		DEEALN
CCOC(=O)[C@H](C(C)=O)[C@H](c1cccc(OC)c1)C(C#N)C#N	ZINC000075259944	355077246	/nfs/dbraw/zinc/07/72/46/355077246.db2.gz	KUTFFALAPAREAH-HZPDHXFCSA-N	0	2	314.341	2.210	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000016711654	182059072	/nfs/dbraw/zinc/05/90/72/182059072.db2.gz	UILIDAIWUBQGAT-AKCBPTIMSA-N	0	2	323.443	2.297	50	30		DEEALN
C/N=C1/S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000016711654	182059074	/nfs/dbraw/zinc/05/90/74/182059074.db2.gz	UILIDAIWUBQGAT-AKCBPTIMSA-N	0	2	323.443	2.297	50	30		DEEALN
CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1	ZINC000158440326	197272187	/nfs/dbraw/zinc/27/21/87/197272187.db2.gz	LSSIZZSAGQIPOV-UHFFFAOYSA-N	0	2	315.354	2.347	50	30		DEEALN
N#CC(C(=O)NC[C@H]1CCCO1)=C(O)c1cccc2ccccc21	ZINC000103502329	224556395	/nfs/dbraw/zinc/55/63/95/224556395.db2.gz	OTTPRRXQDFVHFK-PBHICJAKSA-N	0	2	322.364	2.457	50	30		DEEALN
N#Cc1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c(Cl)c1	ZINC000097140408	402110155	/nfs/dbraw/zinc/11/01/55/402110155.db2.gz	NBMAAUIBNAGJBH-UHFFFAOYSA-N	0	2	324.749	2.273	50	30		DEEALN
COc1cc(/C=C\C(=O)c2c(O)cc(C)oc2=O)ccc1O	ZINC000103620442	402192592	/nfs/dbraw/zinc/19/25/92/402192592.db2.gz	LRCLIDIMQAJTGZ-XQRVVYSFSA-N	0	2	302.282	2.264	50	30		DEEALN
O=c1[nH]c(NN=Cc2ccccc2O)nnc1-c1ccccc1	ZINC000004158751	181079877	/nfs/dbraw/zinc/07/98/77/181079877.db2.gz	MLDYFLBWMPPUJA-LICLKQGHSA-N	0	2	307.313	2.396	50	30		DEEALN
N#Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1	ZINC000096007288	402046577	/nfs/dbraw/zinc/04/65/77/402046577.db2.gz	TYRWETYVHAGRBE-UHFFFAOYSA-N	0	2	321.289	2.406	50	30		DEEALN
CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)C1=NO	ZINC000252605357	402658878	/nfs/dbraw/zinc/65/88/78/402658878.db2.gz	GJOIQDZMZMNMLX-UHFFFAOYSA-N	0	2	316.195	2.166	50	30		DEEALN
COc1ccccc1OCCN1c2ccccc2C(=NO)C1=O	ZINC000252458387	402653459	/nfs/dbraw/zinc/65/34/59/402653459.db2.gz	DZBSTLXJPVCBPD-UHFFFAOYSA-N	0	2	312.325	2.299	50	30		DEEALN
N#CC(C(=O)NC[C@H]1CCCO1)=C(O)c1cccc2ccccc21	ZINC000103502326	424848756	/nfs/dbraw/zinc/84/87/56/424848756.db2.gz	OTTPRRXQDFVHFK-RHSMWYFYSA-N	0	2	322.364	2.457	50	30		DEEALN
CCOc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1	ZINC000110516920	424851530	/nfs/dbraw/zinc/85/15/30/424851530.db2.gz	AZTGECICMILNBR-CXOKCQFOSA-N	0	2	300.310	2.314	50	30		DEEALN
N#C[C@H](C(=O)C1CCC1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000049391487	526504712	/nfs/dbraw/zinc/50/47/12/526504712.db2.gz	UFEFYQZNVSNKRR-GFCCVEGCSA-N	0	2	308.345	2.174	50	30		DEEALN
N#CC(C(=O)C1CCC1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000049391487	526504718	/nfs/dbraw/zinc/50/47/18/526504718.db2.gz	UFEFYQZNVSNKRR-GFCCVEGCSA-N	0	2	308.345	2.174	50	30		DEEALN
CC(=O)Nc1nc(C(=O)C(C#N)c2ccc(F)cn2)cs1	ZINC000076094847	355125623	/nfs/dbraw/zinc/12/56/23/355125623.db2.gz	OXSMSHRIMXKBNP-SECBINFHSA-N	0	2	304.306	2.126	50	30		DEEALN
C[C@@H]1CSCCN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000192336767	200855323	/nfs/dbraw/zinc/85/53/23/200855323.db2.gz	RWSVLBKXLNHKBN-ZDUSSCGKSA-N	0	2	319.430	2.332	50	30		DEEALN
CCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1	ZINC000006888123	401734259	/nfs/dbraw/zinc/73/42/59/401734259.db2.gz	YGWRMJKYSTYVPF-NSHDSACASA-N	0	2	309.366	2.152	50	30		DEEALN
CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1	ZINC000006888123	401734263	/nfs/dbraw/zinc/73/42/63/401734263.db2.gz	YGWRMJKYSTYVPF-NSHDSACASA-N	0	2	309.366	2.152	50	30		DEEALN
C=CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000013943573	401805288	/nfs/dbraw/zinc/80/52/88/401805288.db2.gz	ZCDKTFMNLONICB-VOTSOKGWSA-N	0	2	315.285	2.119	50	30		DEEALN
Cc1cccc(CSCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1	ZINC000026275794	401840025	/nfs/dbraw/zinc/84/00/25/401840025.db2.gz	IMVDIHFADYCLNG-UHFFFAOYSA-N	0	2	311.370	2.333	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1C(C)C	ZINC000100068202	402139852	/nfs/dbraw/zinc/13/98/52/402139852.db2.gz	JQXZGYKKSMYCFI-IUDBQGPFSA-N	0	2	305.403	2.353	50	30		DEEALN
C/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C(C)C	ZINC000100068202	402139853	/nfs/dbraw/zinc/13/98/53/402139853.db2.gz	JQXZGYKKSMYCFI-IUDBQGPFSA-N	0	2	305.403	2.353	50	30		DEEALN
Cc1cc(O)c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(=O)o1	ZINC000105640152	402209281	/nfs/dbraw/zinc/20/92/81/402209281.db2.gz	SUYAEGIMQJUTEY-FOSCPCJNSA-N	0	2	300.310	2.237	50	30		DEEALN
N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC1(Cl)Cl	ZINC000105262057	424848975	/nfs/dbraw/zinc/84/89/75/424848975.db2.gz	QSLFFTDATZOXQE-UWVGGRQHSA-N	0	2	303.189	2.338	50	30		DEEALN
Cc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)cnc1Cl	ZINC000076068413	355123406	/nfs/dbraw/zinc/12/34/06/355123406.db2.gz	HPYTUYWUJHZVTB-UHFFFAOYSA-N	0	2	308.750	2.111	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000013425376	401799852	/nfs/dbraw/zinc/79/98/52/401799852.db2.gz	BXOGPVCDDOKCMU-JTFSYWPOSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000013425376	401799854	/nfs/dbraw/zinc/79/98/54/401799854.db2.gz	BXOGPVCDDOKCMU-JTFSYWPOSA-N	0	2	323.393	2.494	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1	ZINC000015226088	401816586	/nfs/dbraw/zinc/81/65/86/401816586.db2.gz	MOMWFPFADUCZEH-LBPRGKRZSA-N	0	2	317.414	2.406	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S1	ZINC000015226088	401816593	/nfs/dbraw/zinc/81/65/93/401816593.db2.gz	MOMWFPFADUCZEH-LBPRGKRZSA-N	0	2	317.414	2.406	50	30		DEEALN
N#Cc1ccc(S(=O)(=O)Nc2noc(-c3ccoc3)n2)cc1	ZINC000096004200	402045638	/nfs/dbraw/zinc/04/56/38/402045638.db2.gz	AHZIRNINBPFZRD-UHFFFAOYSA-N	0	2	316.298	2.002	50	30		DEEALN
CC(C)(C)n1nccc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000097164899	402114034	/nfs/dbraw/zinc/11/40/34/402114034.db2.gz	RXBIRCJWRZJFLA-UHFFFAOYSA-N	0	2	304.375	2.311	50	30		DEEALN
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cncc(F)c1	ZINC000095412890	185357906	/nfs/dbraw/zinc/35/79/06/185357906.db2.gz	LIMMJYNSWLHJMV-UHFFFAOYSA-N	0	2	320.349	2.325	50	30		DEEALN
Cc1ccc(S(=O)(=O)N=C(O)NC2CCCCC2)cc1N	ZINC000003831047	181047660	/nfs/dbraw/zinc/04/76/60/181047660.db2.gz	XXYTXQGCRQLRHA-UHFFFAOYSA-N	0	2	311.407	2.102	50	30	in-man	DEEALN
C[N@H+](CC(=O)[N-]S(=O)(=O)C1CCCC1)Cc1ccccc1	ZINC000089982074	401977566	/nfs/dbraw/zinc/97/75/66/401977566.db2.gz	ZXQZTYJVRQEHKE-UHFFFAOYSA-N	0	2	310.419	2.347	50	30		DEEALN
C[N@@H+](CC(=O)[N-]S(=O)(=O)C1CCCC1)Cc1ccccc1	ZINC000089982074	401977568	/nfs/dbraw/zinc/97/75/68/401977568.db2.gz	ZXQZTYJVRQEHKE-UHFFFAOYSA-N	0	2	310.419	2.347	50	30		DEEALN
CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000102786795	402172259	/nfs/dbraw/zinc/17/22/59/402172259.db2.gz	SCCKSQOVKDHMOW-KXPUMZMLSA-N	0	2	300.310	2.314	50	30		DEEALN
COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCC(=O)[O-]	ZINC000534631022	334307470	/nfs/dbraw/zinc/30/74/70/334307470.db2.gz	FKHCPKSSOPJRFB-QGZVFWFLSA-N	0	2	318.373	2.284	50	30		DEEALN
COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCC(=O)[O-]	ZINC000534631022	334307471	/nfs/dbraw/zinc/30/74/71/334307471.db2.gz	FKHCPKSSOPJRFB-QGZVFWFLSA-N	0	2	318.373	2.284	50	30		DEEALN
CCCc1nnc(NS(=O)(=O)c2cccc(C)c2C#N)o1	ZINC000585129200	790327503	/nfs/dbraw/zinc/32/75/03/790327503.db2.gz	BFIFATXFUDBRAJ-UHFFFAOYSA-N	0	2	306.347	2.003	50	30		DEEALN
C[C@H](CCOc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000072700689	191217736	/nfs/dbraw/zinc/21/77/36/191217736.db2.gz	LZBMDYXUQRAWPB-LLVKDONJSA-N	0	2	309.329	2.197	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1	ZINC000012583165	181779688	/nfs/dbraw/zinc/77/96/88/181779688.db2.gz	ZWVXUTXSBVVOKF-GFCCVEGCSA-N	0	2	303.387	2.097	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1	ZINC000012583165	181779690	/nfs/dbraw/zinc/77/96/90/181779690.db2.gz	ZWVXUTXSBVVOKF-GFCCVEGCSA-N	0	2	303.387	2.097	50	30		DEEALN
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C(C)C)c2)c1	ZINC000003251892	401723618	/nfs/dbraw/zinc/72/36/18/401723618.db2.gz	KCGVWPKFYFJKFZ-UHFFFAOYSA-N	0	2	312.325	2.246	50	30		DEEALN
COc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1OC	ZINC000000172739	401688991	/nfs/dbraw/zinc/68/89/91/401688991.db2.gz	IVPUEDAJMCPDQP-UHFFFAOYSA-N	0	2	318.354	2.376	50	30		DEEALN
C=CCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2[nH]c1=S	ZINC000000211067	401690710	/nfs/dbraw/zinc/69/07/10/401690710.db2.gz	AWTRIPYHVDEZPH-UHFFFAOYSA-N	0	2	315.398	2.481	50	30		DEEALN
CCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1	ZINC000000353229	401695229	/nfs/dbraw/zinc/69/52/29/401695229.db2.gz	XXDPYJIHUCJSEF-UHFFFAOYSA-N	0	2	315.354	2.376	50	30		DEEALN
Cc1cc(C)nc(C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665037	401860799	/nfs/dbraw/zinc/86/07/99/401860799.db2.gz	XQXYFCKFPFZIOT-LBPRGKRZSA-N	0	2	318.377	2.137	50	30		DEEALN
Cc1cc(C)nc([C@@H](C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665037	401860802	/nfs/dbraw/zinc/86/08/02/401860802.db2.gz	XQXYFCKFPFZIOT-LBPRGKRZSA-N	0	2	318.377	2.137	50	30		DEEALN
Cc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)s1	ZINC000026272070	264009897	/nfs/dbraw/zinc/00/98/97/264009897.db2.gz	FASBKQAVVZQBSK-UHFFFAOYSA-N	0	2	313.342	2.125	50	30		DEEALN
COc1ccc(C(O)=C(C#N)C(=O)NC2CCCCC2)cc1	ZINC000103503818	424848441	/nfs/dbraw/zinc/84/84/41/424848441.db2.gz	GHHJWWDRTLFSKC-OAHLLOKOSA-N	0	2	300.358	2.467	50	30		DEEALN
CCCC/N=C1/NC(=O)[C@H](CC(=O)NCc2ccccc2)S1	ZINC000021132894	519886824	/nfs/dbraw/zinc/88/68/24/519886824.db2.gz	MLRRGIJQMVNYFU-ZDUSSCGKSA-N	0	2	319.430	2.081	50	30		DEEALN
COc1ccc(NC(O)=NS(=O)(=O)c2ccccc2)cc1	ZINC000071769446	191030375	/nfs/dbraw/zinc/03/03/75/191030375.db2.gz	RYQCLXREICABOJ-UHFFFAOYSA-N	0	2	306.343	2.410	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1	ZINC000004377401	181103898	/nfs/dbraw/zinc/10/38/98/181103898.db2.gz	QWTNNZCOXBUMHC-NSHDSACASA-N	0	2	323.805	2.442	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1	ZINC000004377401	181103900	/nfs/dbraw/zinc/10/39/00/181103900.db2.gz	QWTNNZCOXBUMHC-NSHDSACASA-N	0	2	323.805	2.442	50	30		DEEALN
C/C=N/N=C1/NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1	ZINC000006185492	181317640	/nfs/dbraw/zinc/31/76/40/181317640.db2.gz	HSEYTIDQDMMJSL-QKDAGELNSA-N	0	2	318.402	2.225	50	30		DEEALN
C/C=N/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S1	ZINC000006185492	181317643	/nfs/dbraw/zinc/31/76/43/181317643.db2.gz	HSEYTIDQDMMJSL-QKDAGELNSA-N	0	2	318.402	2.225	50	30		DEEALN
O=[N+]([O-])c1ccc(S(=O)(=O)N=C(O)Nc2ccccc2)cc1	ZINC000001703435	401709874	/nfs/dbraw/zinc/70/98/74/401709874.db2.gz	ATVMLALNRDJPQK-UHFFFAOYSA-N	0	2	321.314	2.310	50	30		DEEALN
CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc([N+](=O)[O-])cc1	ZINC000004001864	181061578	/nfs/dbraw/zinc/06/15/78/181061578.db2.gz	XGAXIKJTDMNRSE-RVDMUPIBSA-N	0	2	310.335	2.057	50	30		DEEALN
CCOc1ccccc1C=CC(=O)c1c(O)cc(C)oc1=O	ZINC000003543705	224485442	/nfs/dbraw/zinc/48/54/42/224485442.db2.gz	KQCWJLMIWZLNTL-FDMDGMSGSA-N	0	2	300.310	2.314	50	30		DEEALN
N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1	ZINC000084384048	401905440	/nfs/dbraw/zinc/90/54/40/401905440.db2.gz	VPDONAHIJYIKLE-UHFFFAOYSA-N	0	2	316.264	2.101	50	30		DEEALN
CCNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252591618	402659013	/nfs/dbraw/zinc/65/90/13/402659013.db2.gz	BBJCMPPRHXMQMT-ZDUSSCGKSA-N	0	2	319.430	2.473	50	30		DEEALN
CCNC(=O)CC1SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252591618	402659014	/nfs/dbraw/zinc/65/90/14/402659014.db2.gz	BBJCMPPRHXMQMT-ZDUSSCGKSA-N	0	2	319.430	2.473	50	30		DEEALN
CCOC(=O)c1c(C)[nH]c(C(O)=C(C#N)C(=O)C2CC2)c1C	ZINC000103264380	424848654	/nfs/dbraw/zinc/84/86/54/424848654.db2.gz	ZEDQQWGBZYPDPJ-NSHDSACASA-N	0	2	302.330	2.110	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000100203740	402140353	/nfs/dbraw/zinc/14/03/53/402140353.db2.gz	BXOGPVCDDOKCMU-OPGVCCBYSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000100203740	402140355	/nfs/dbraw/zinc/14/03/55/402140355.db2.gz	BXOGPVCDDOKCMU-OPGVCCBYSA-N	0	2	323.393	2.494	50	30		DEEALN
O=C(C=C(O)c1ccccc1)C[C@@]1(O)C(=O)Nc2ccccc21	ZINC000015082441	527592214	/nfs/dbraw/zinc/59/22/14/527592214.db2.gz	MHAAUNPAGNNOIK-FJJYYWMZSA-N	0	2	309.321	2.385	50	30		DEEALN
CC(=NNc1nc2ccccc2c(=O)n1O)c1ccc(O)cc1	ZINC000005399398	181239476	/nfs/dbraw/zinc/23/94/76/181239476.db2.gz	CJGNDPVEGOIYLA-VCHYOVAHSA-N	0	2	310.313	2.176	50	30		DEEALN
N#Cc1c(N)nc2c(c1N)[C@@H](C(C#N)C#N)c1ccccc1O2	ZINC000018276500	182101544	/nfs/dbraw/zinc/10/15/44/182101544.db2.gz	NZIXTYUXMDMQMG-LBPRGKRZSA-N	0	2	302.297	2.019	50	30		DEEALN
N#Cc1nc(NC(=O)c2ccc(Br)s2)[nH]c1C#N	ZINC000079050208	185149104	/nfs/dbraw/zinc/14/91/04/185149104.db2.gz	BJXQRNJPSXTZGV-UHFFFAOYSA-N	0	2	322.147	2.229	50	30		DEEALN
CCOC(=O)[C@H](C(C)=O)[C@H](c1ccc(OC)cc1)C(C#N)C#N	ZINC000006998293	353999027	/nfs/dbraw/zinc/99/90/27/353999027.db2.gz	BXEYWEDCONAZQR-HZPDHXFCSA-N	0	2	314.341	2.210	50	30		DEEALN
CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccc(OC)cc1)C(C#N)C#N	ZINC000006998301	353999707	/nfs/dbraw/zinc/99/97/07/353999707.db2.gz	BXEYWEDCONAZQR-JKSUJKDBSA-N	0	2	314.341	2.210	50	30		DEEALN
C/N=C1\NC(=O)C(CC(=O)Nc2ccc3ccccc3c2)S1	ZINC000007883191	401745030	/nfs/dbraw/zinc/74/50/30/401745030.db2.gz	MFDLKOFPBLTLQT-CYBMUJFWSA-N	0	2	313.382	2.386	50	30		DEEALN
C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1	ZINC000007883191	401745032	/nfs/dbraw/zinc/74/50/32/401745032.db2.gz	MFDLKOFPBLTLQT-CYBMUJFWSA-N	0	2	313.382	2.386	50	30		DEEALN
O=c1[nH]c(NN=Cc2ccccc2O)nnc1Cc1ccccc1	ZINC000009042570	401758768	/nfs/dbraw/zinc/75/87/68/401758768.db2.gz	VHSWDIKYADFCEV-WOJGMQOQSA-N	0	2	321.340	2.320	50	30		DEEALN
N#Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)[nH]c1C#N	ZINC000026273149	401839875	/nfs/dbraw/zinc/83/98/75/401839875.db2.gz	XBACYGHGBLZPSG-UHFFFAOYSA-N	0	2	319.246	2.353	50	30		DEEALN
C=CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000105640380	402209240	/nfs/dbraw/zinc/20/92/40/402209240.db2.gz	HGDPADAXSMUZLQ-ZPUOCTKUSA-N	0	2	312.321	2.480	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000013152714	401797074	/nfs/dbraw/zinc/79/70/74/401797074.db2.gz	XDGYPDBQJRLQFF-VVLLMFOMSA-N	0	2	305.403	2.355	50	30		DEEALN
CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000013152714	401797082	/nfs/dbraw/zinc/79/70/82/401797082.db2.gz	XDGYPDBQJRLQFF-VVLLMFOMSA-N	0	2	305.403	2.355	50	30		DEEALN
CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccnc2)n1	ZINC000075572799	401762850	/nfs/dbraw/zinc/76/28/50/401762850.db2.gz	CGRDOHVFUWCCAB-SNVBAGLBSA-N	0	2	301.327	2.205	50	30		DEEALN
COc1ccc([C@@](C)(C#N)NC(=O)C(F)(F)F)cc1OC	ZINC000095348112	402025802	/nfs/dbraw/zinc/02/58/02/402025802.db2.gz	BUVNFKOAIXXHHU-GFCCVEGCSA-N	0	2	302.252	2.121	50	30		DEEALN
CCn1[nH]c(C)c([C@@H](c2ccccc2OC)C(C#N)C#N)c1=O	ZINC000101278842	402144201	/nfs/dbraw/zinc/14/42/01/402144201.db2.gz	WEGJWPWNCGOQQB-JKSUJKDBSA-N	0	2	310.357	2.296	50	30		DEEALN
CCOc1ccc(C(O)=C(C#N)C(=O)N2CCCCC2)cc1	ZINC000103502450	424848657	/nfs/dbraw/zinc/84/86/57/424848657.db2.gz	UICZBMLQJNUYSB-OAHLLOKOSA-N	0	2	300.358	2.420	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000004681967	181136533	/nfs/dbraw/zinc/13/65/33/181136533.db2.gz	VXRDSVQVFVQVQE-ZSNVJIKNSA-N	0	2	311.794	2.228	50	30		DEEALN
C/N=C1\S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000004681967	181136534	/nfs/dbraw/zinc/13/65/34/181136534.db2.gz	VXRDSVQVFVQVQE-ZSNVJIKNSA-N	0	2	311.794	2.228	50	30		DEEALN
COc1ccc(C=NNc2nc3ccccc3c(=O)n2O)cc1	ZINC000005529210	181253774	/nfs/dbraw/zinc/25/37/74/181253774.db2.gz	KIUIGQWCDAFVIS-LICLKQGHSA-N	0	2	310.313	2.088	50	30		DEEALN
CCn1[nH]c(C)c([C@H](c2ccccc2OC)C(C#N)C#N)c1=O	ZINC000101278847	285471240	/nfs/dbraw/zinc/47/12/40/285471240.db2.gz	WEGJWPWNCGOQQB-HOTGVXAUSA-N	0	2	310.357	2.296	50	30		DEEALN
Cc1[nH]n(-c2ccccc2)c(=O)c1C(N)=NC(=O)c1ccccc1	ZINC000008299493	401750791	/nfs/dbraw/zinc/75/07/91/401750791.db2.gz	MGULIQORTJBOKJ-UHFFFAOYSA-N	0	2	320.352	2.432	50	30		DEEALN
CCc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)nc(C)n1	ZINC000097048806	402102845	/nfs/dbraw/zinc/10/28/45/402102845.db2.gz	UOUNJYAGAQAAMW-UHFFFAOYSA-N	0	2	316.386	2.328	50	30		DEEALN
CCCN(C)c1ccc(C(O)=C(C#N)C(=O)N2CCCC2)cc1	ZINC000101186675	424846423	/nfs/dbraw/zinc/84/64/23/424846423.db2.gz	ZKAZCRJCFRRIDY-MRXNPFEDSA-N	0	2	313.401	2.478	50	30		DEEALN
CC/N=C1/S[C@H](CC(=O)NCc2ccccc2)C(=O)N1CC	ZINC000012562818	520207478	/nfs/dbraw/zinc/20/74/78/520207478.db2.gz	JBGGPDZJFJSANA-PHODEOQFSA-N	0	2	319.430	2.033	50	30		DEEALN
CCOC(=O)NC(=O)[C@@H](C#N)/C=N/OCc1ccc(Cl)cc1	ZINC000004039627	181066080	/nfs/dbraw/zinc/06/60/80/181066080.db2.gz	INAGMFWYXNBLDA-CPWFCVNUSA-N	0	2	323.736	2.255	50	30		DEEALN
C=CCn1c(C)nnc1SCc1nc(=O)c2sccc2[nH]1	ZINC000004936446	181175276	/nfs/dbraw/zinc/17/52/76/181175276.db2.gz	KLUKWSCFVRKOOZ-UHFFFAOYSA-N	0	2	319.415	2.363	50	30		DEEALN
C#Cc1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1	ZINC000014849709	401813911	/nfs/dbraw/zinc/81/39/11/401813911.db2.gz	BBHBLWPYAIZBHB-UHFFFAOYSA-N	0	2	321.379	2.317	50	30		DEEALN
C=C(C)C(=O)N(C(=O)C(=C)C)C1=NN(c2ccccc2)C(=O)C1	ZINC000004673241	181134666	/nfs/dbraw/zinc/13/46/66/181134666.db2.gz	CEOPICHIMYVGKA-UHFFFAOYSA-N	0	2	311.341	2.244	50	30		DEEALN
C=C(C)C(=O)N(C(=O)C(=C)C)c1cc(=O)n(-c2ccccc2)[nH]1	ZINC000004673241	181134667	/nfs/dbraw/zinc/13/46/67/181134667.db2.gz	CEOPICHIMYVGKA-UHFFFAOYSA-N	0	2	311.341	2.244	50	30		DEEALN
CC(C)(C)c1[nH]n(Cc2cn3cccnc3n2)c(=O)c1CCC#N	ZINC000193674787	201100384	/nfs/dbraw/zinc/10/03/84/201100384.db2.gz	TYBHNRIECXZNBG-UHFFFAOYSA-N	0	2	324.388	2.433	50	30		DEEALN
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccccn2)c1=O	ZINC000003278564	401723496	/nfs/dbraw/zinc/72/34/96/401723496.db2.gz	ARHPZWOJFGHEFU-UHFFFAOYSA-N	0	2	317.304	2.041	50	30		DEEALN
CCn1[nH]c(C)c([C@@H](c2ccccc2OC)C(C#N)C#N)c1=O	ZINC000005398261	401729737	/nfs/dbraw/zinc/72/97/37/401729737.db2.gz	WEGJWPWNCGOQQB-HZPDHXFCSA-N	0	2	310.357	2.296	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000013152715	401797303	/nfs/dbraw/zinc/79/73/03/401797303.db2.gz	XDGYPDBQJRLQFF-IUDBQGPFSA-N	0	2	305.403	2.355	50	30		DEEALN
CC/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000013152715	401797304	/nfs/dbraw/zinc/79/73/04/401797304.db2.gz	XDGYPDBQJRLQFF-IUDBQGPFSA-N	0	2	305.403	2.355	50	30		DEEALN
CN(C)/C=C1\C(=O)c2sccc2[C@@H]1NC(=O)C(F)(F)F	ZINC000012861336	401792813	/nfs/dbraw/zinc/79/28/13/401792813.db2.gz	CMVMKIWABGOSPV-TVSKSKRASA-N	0	2	304.293	2.110	50	30		DEEALN
CCn1cc(S(=O)(=O)NC(=O)CCc2ccsc2)cn1	ZINC000096453131	402090696	/nfs/dbraw/zinc/09/06/96/402090696.db2.gz	PSLGYQCJVBGIBB-UHFFFAOYSA-N	0	2	313.404	2.243	50	30		DEEALN
O=C(NC1=NC(=O)CN1)c1ccc(OCC2CCCCC2)cc1	ZINC000054100829	402062567	/nfs/dbraw/zinc/06/25/67/402062567.db2.gz	WOGGWDDDCJYQSB-UHFFFAOYSA-N	0	2	315.373	2.436	50	30		DEEALN
COCCCNC(=O)C(C#N)=C(O)c1ccc2ccccc2c1	ZINC000103502863	424848338	/nfs/dbraw/zinc/84/83/38/424848338.db2.gz	BFLSLARAFAXTQK-MRXNPFEDSA-N	0	2	310.353	2.315	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1	ZINC000006487205	181345231	/nfs/dbraw/zinc/34/52/31/181345231.db2.gz	ZWVXUTXSBVVOKF-LBPRGKRZSA-N	0	2	303.387	2.097	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S1	ZINC000006487205	181345233	/nfs/dbraw/zinc/34/52/33/181345233.db2.gz	ZWVXUTXSBVVOKF-LBPRGKRZSA-N	0	2	303.387	2.097	50	30		DEEALN
COc1ccc(NC(O)=NS(=O)(=O)c2ccc(C)cc2)cn1	ZINC000000157934	401688759	/nfs/dbraw/zinc/68/87/59/401688759.db2.gz	LUHPQZVSQHWZDR-UHFFFAOYSA-N	0	2	321.358	2.113	50	30		DEEALN
CCOC(=O)C(C#N)=C1C(=O)c2ccccc2C(O)=C1Cl	ZINC000000500729	401699708	/nfs/dbraw/zinc/69/97/08/401699708.db2.gz	MQFPUDFVKBOKAR-SNVBAGLBSA-N	0	2	303.701	2.261	50	30		DEEALN
O=C1Nc2ccccc2N[C@H]1c1oc(-c2ccccc2)cc1O	ZINC000001650397	401709035	/nfs/dbraw/zinc/70/90/35/401709035.db2.gz	VWSXFUINYBNAIR-IRXDYDNUSA-N	0	2	306.321	2.428	50	30		DEEALN
Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000026266987	401839614	/nfs/dbraw/zinc/83/96/14/401839614.db2.gz	SZRFZSAOEGUQLE-UHFFFAOYSA-N	0	2	324.325	2.430	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1C(C)C	ZINC000100068198	402139761	/nfs/dbraw/zinc/13/97/61/402139761.db2.gz	JQXZGYKKSMYCFI-VVLLMFOMSA-N	0	2	305.403	2.353	50	30		DEEALN
C/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C(C)C	ZINC000100068198	402139764	/nfs/dbraw/zinc/13/97/64/402139764.db2.gz	JQXZGYKKSMYCFI-VVLLMFOMSA-N	0	2	305.403	2.353	50	30		DEEALN
C/C(=N\c1ccc(C(C)C)cc1)c1c(O)n(C)c(=O)n(C)c1=O	ZINC000101161143	402143774	/nfs/dbraw/zinc/14/37/74/402143774.db2.gz	CVIDBHRKKYFFPG-WOJGMQOQSA-N	0	2	315.373	2.054	50	30		DEEALN
CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000102786793	424848104	/nfs/dbraw/zinc/84/81/04/424848104.db2.gz	SCCKSQOVKDHMOW-XITLMJRVSA-N	0	2	300.310	2.314	50	30		DEEALN
Cc1cc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1	ZINC000003543677	181032490	/nfs/dbraw/zinc/03/24/90/181032490.db2.gz	FEIGDRCJLPMXIW-QPJJXVBHSA-N	0	2	301.254	2.458	50	30		DEEALN
COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C#N	ZINC000009606279	401763895	/nfs/dbraw/zinc/76/38/95/401763895.db2.gz	RFINSMVZZBCWKN-UHFFFAOYSA-N	0	2	316.338	2.146	50	30		DEEALN
C#CCOc1cc(-n2nc(SC)[nH]c2=O)c(F)cc1Cl	ZINC000085388720	401914968	/nfs/dbraw/zinc/91/49/68/401914968.db2.gz	FXSMNWSVWDURMZ-UHFFFAOYSA-N	0	2	313.741	2.087	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000100272080	402140580	/nfs/dbraw/zinc/14/05/80/402140580.db2.gz	CJYUMXMICQEOQV-VVLLMFOMSA-N	0	2	305.403	2.192	50	30		DEEALN
C/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000100272080	402140584	/nfs/dbraw/zinc/14/05/84/402140584.db2.gz	CJYUMXMICQEOQV-VVLLMFOMSA-N	0	2	305.403	2.192	50	30		DEEALN
Cc1cc(C=NNc2nnc(C)c(=O)[nH]2)c(C)n1CC(C)C	ZINC000254841448	402671848	/nfs/dbraw/zinc/67/18/48/402671848.db2.gz	RUUSAROVRSJTMX-UHFFFAOYSA-N	0	2	302.382	2.406	50	30		DEEALN
O=[N+]([O-])c1ccc(O)c(/C=N/n2c(CO)nc3ccccc32)c1	ZINC000061869689	184190530	/nfs/dbraw/zinc/19/05/30/184190530.db2.gz	ZRDLNOGSEKBYIA-LZYBPNLTSA-N	0	2	312.285	2.025	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000013471657	401800132	/nfs/dbraw/zinc/80/01/32/401800132.db2.gz	CJYUMXMICQEOQV-KXEGMRRWSA-N	0	2	305.403	2.192	50	30		DEEALN
C/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000013471657	401800136	/nfs/dbraw/zinc/80/01/36/401800136.db2.gz	CJYUMXMICQEOQV-KXEGMRRWSA-N	0	2	305.403	2.192	50	30		DEEALN
O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000095349723	402026194	/nfs/dbraw/zinc/02/61/94/402026194.db2.gz	UMACOWNUVRRBOQ-RKDXNWHRSA-N	0	2	307.697	2.378	50	30		DEEALN
O=C1Nc2ccccc2/C1=N\N=C\c1cc([N+](=O)[O-])ccc1O	ZINC000025540861	527090269	/nfs/dbraw/zinc/09/02/69/527090269.db2.gz	PDHSMPMGIUMIFY-LZYBPNLTSA-N	0	2	310.269	2.076	50	30		DEEALN
Cc1cccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)c1C#N	ZINC000585129211	790323748	/nfs/dbraw/zinc/32/37/48/790323748.db2.gz	BNAAIZHEGAFVBF-UHFFFAOYSA-N	0	2	320.374	2.249	50	30		DEEALN
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)Cc1cccc(F)c1	ZINC000074823973	295831005	/nfs/dbraw/zinc/83/10/05/295831005.db2.gz	HNJAQULIRFAMJS-SNVBAGLBSA-N	0	2	311.320	2.500	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000004681968	181136446	/nfs/dbraw/zinc/13/64/46/181136446.db2.gz	VXRDSVQVFVQVQE-QMLLPTRZSA-N	0	2	311.794	2.228	50	30		DEEALN
C/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1C	ZINC000004681968	181136450	/nfs/dbraw/zinc/13/64/50/181136450.db2.gz	VXRDSVQVFVQVQE-QMLLPTRZSA-N	0	2	311.794	2.228	50	30		DEEALN
C=CCn1c(=O)c2ccc(C(=O)NC3CC3)cc2[nH]c1=S	ZINC000017122367	182076027	/nfs/dbraw/zinc/07/60/27/182076027.db2.gz	HRFVJPGISIEAIU-UHFFFAOYSA-N	0	2	301.371	2.137	50	30		DEEALN
CC(C)(C)c1nc(NS(=O)(=O)c2cccc(C#N)c2)no1	ZINC000096001685	402045431	/nfs/dbraw/zinc/04/54/31/402045431.db2.gz	VESCINRJCQWVOX-UHFFFAOYSA-N	0	2	306.347	2.040	50	30		DEEALN
CCOc1ccccc1C=CC(=O)c1c(O)cc(C)oc1=O	ZINC000105639426	402209129	/nfs/dbraw/zinc/20/91/29/402209129.db2.gz	KQCWJLMIWZLNTL-QWGSZXSUSA-N	0	2	300.310	2.314	50	30		DEEALN
Cc1cc(S(=O)(=O)Nc2cc(C#N)ccn2)c(F)cc1F	ZINC000170608332	402507339	/nfs/dbraw/zinc/50/73/39/402507339.db2.gz	MUUOFAGNKORLLN-UHFFFAOYSA-N	0	2	309.297	2.341	50	30		DEEALN
C#Cc1cccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)c1	ZINC000047328698	424825557	/nfs/dbraw/zinc/82/55/57/424825557.db2.gz	FMIVOGFXIDXNEJ-UHFFFAOYSA-N	0	2	309.778	2.164	50	30		DEEALN
CCCN(C)c1ccc(C(O)=C(C#N)C(=O)N2CCCC2)cc1	ZINC000101186677	424846637	/nfs/dbraw/zinc/84/66/37/424846637.db2.gz	ZKAZCRJCFRRIDY-INIZCTEOSA-N	0	2	313.401	2.478	50	30		DEEALN
COCCCNC(=O)C(C#N)=C(O)c1ccc2ccccc2c1	ZINC000103502860	424848552	/nfs/dbraw/zinc/84/85/52/424848552.db2.gz	BFLSLARAFAXTQK-INIZCTEOSA-N	0	2	310.353	2.315	50	30		DEEALN
CCOC(=O)c1ccc(C/C(=N/O)c2ccc(O)cc2O)o1	ZINC000018167244	521471313	/nfs/dbraw/zinc/47/13/13/521471313.db2.gz	FXMZORIQNOXYIA-VBKFSLOCSA-N	0	2	305.286	2.289	50	30	biogenic	DEEALN
CC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)NCc2ccccc2)S1	ZINC000006005175	523820635	/nfs/dbraw/zinc/82/06/35/523820635.db2.gz	UDADIIACIUQSDV-AAEUAGOBSA-N	0	2	319.430	2.079	50	30		DEEALN
Cc1cc(F)cc(S(=O)(=O)Nc2ccn(CCCC#N)n2)c1	ZINC000095406394	524952268	/nfs/dbraw/zinc/95/22/68/524952268.db2.gz	KUPVRZTXEHSZBV-UHFFFAOYSA-N	0	2	322.365	2.435	50	30		DEEALN
CN1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2O)C1=O	ZINC000331234315	289938476	/nfs/dbraw/zinc/93/84/76/289938476.db2.gz	KOTFFIDUWYCNAI-SNVBAGLBSA-N	0	2	300.717	2.110	50	30		DEEALN
C=CCn1c(=O)c2ccc(C(=O)NCCC)cc2[nH]c1=S	ZINC000006508332	181347650	/nfs/dbraw/zinc/34/76/50/181347650.db2.gz	YOHVYEAIHAXCNN-UHFFFAOYSA-N	0	2	303.387	2.385	50	30		DEEALN
COC(=O)c1sccc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000007709012	401743667	/nfs/dbraw/zinc/74/36/67/401743667.db2.gz	FDUOEMLAVWNTLA-UHFFFAOYSA-N	0	2	322.367	2.207	50	30		DEEALN
CC(C)(C)c1[nH]n(CC(=O)N2CCCCC2)c(=O)c1CCC#N	ZINC000101811062	402156275	/nfs/dbraw/zinc/15/62/75/402156275.db2.gz	JHRZVHIMDIDEAQ-UHFFFAOYSA-N	0	2	318.421	2.355	50	30		DEEALN
N#Cc1nc(NC(=O)c2ccc(-n3cccc3)c(F)c2)[nH]c1C#N	ZINC000069557393	402230286	/nfs/dbraw/zinc/23/02/86/402230286.db2.gz	FJZAJRBJNCCXIJ-UHFFFAOYSA-N	0	2	320.287	2.335	50	30		DEEALN
COc1ccc(C(O)=C(C#N)C(=O)NC2CCCCC2)cc1	ZINC000103503820	424848489	/nfs/dbraw/zinc/84/84/89/424848489.db2.gz	GHHJWWDRTLFSKC-HNNXBMFYSA-N	0	2	300.358	2.467	50	30		DEEALN
Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556473	526402459	/nfs/dbraw/zinc/40/24/59/526402459.db2.gz	MKBYASVJFVHAIP-OLZOCXBDSA-N	0	2	317.414	2.276	50	30		DEEALN
Cc1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556473	526402480	/nfs/dbraw/zinc/40/24/80/526402480.db2.gz	MKBYASVJFVHAIP-OLZOCXBDSA-N	0	2	317.414	2.276	50	30		DEEALN
O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)NC2CCCCC2)c1	ZINC000004210504	401725558	/nfs/dbraw/zinc/72/55/58/401725558.db2.gz	RQJFGVCMWPRFGW-OQLLNIDSSA-N	0	2	322.390	2.431	50	30		DEEALN
CCOC(=O)NC(=O)[C@H](C#N)/C=N/OCc1ccc(Cl)cc1	ZINC000004039625	181065781	/nfs/dbraw/zinc/06/57/81/181065781.db2.gz	INAGMFWYXNBLDA-SXGUVYOMSA-N	0	2	323.736	2.255	50	30		DEEALN
CCn1nc(C)c(/C=C/C(=O)c2c(O)cc(C)oc2=O)c1C	ZINC000020607126	182237705	/nfs/dbraw/zinc/23/77/05/182237705.db2.gz	NWTPDUKWLQKFDL-VOTSOKGWSA-N	0	2	302.330	2.383	50	30		DEEALN
Cc1cc(O)c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(=O)o1	ZINC000105640157	194117344	/nfs/dbraw/zinc/11/73/44/194117344.db2.gz	SUYAEGIMQJUTEY-XVWMLYKFSA-N	0	2	300.310	2.237	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000100203734	402140350	/nfs/dbraw/zinc/14/03/50/402140350.db2.gz	BXOGPVCDDOKCMU-FUYOWACXSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000100203734	402140352	/nfs/dbraw/zinc/14/03/52/402140352.db2.gz	BXOGPVCDDOKCMU-FUYOWACXSA-N	0	2	323.393	2.494	50	30		DEEALN
CN1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2O)C1=O	ZINC000331234313	289973937	/nfs/dbraw/zinc/97/39/37/289973937.db2.gz	KOTFFIDUWYCNAI-JTQLQIEISA-N	0	2	300.717	2.110	50	30		DEEALN
CCOC(=O)c1c(C)[nH]c(C(O)=C(C#N)C(=O)C2CC2)c1C	ZINC000103264385	528123980	/nfs/dbraw/zinc/12/39/80/528123980.db2.gz	ZEDQQWGBZYPDPJ-LLVKDONJSA-N	0	2	302.330	2.110	50	30		DEEALN
N#Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCO2	ZINC000074932489	191389870	/nfs/dbraw/zinc/38/98/70/191389870.db2.gz	DODYRMMXJRMPRL-UHFFFAOYSA-N	0	2	302.311	2.088	50	30		DEEALN
Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556475	526401439	/nfs/dbraw/zinc/40/14/39/526401439.db2.gz	MKBYASVJFVHAIP-STQMWFEESA-N	0	2	317.414	2.276	50	30		DEEALN
Cc1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556475	526401446	/nfs/dbraw/zinc/40/14/46/526401446.db2.gz	MKBYASVJFVHAIP-STQMWFEESA-N	0	2	317.414	2.276	50	30		DEEALN
N#Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000289246	401693567	/nfs/dbraw/zinc/69/35/67/401693567.db2.gz	DLPVEABMNTZURH-UHFFFAOYSA-N	0	2	303.299	2.267	50	30		DEEALN
COc1ccc(C2=NNC(=O)C2=NNc2cccc(OC)c2)cc1	ZINC000049033769	402010732	/nfs/dbraw/zinc/01/07/32/402010732.db2.gz	HGOPLFLDDUEUQT-UHFFFAOYSA-N	0	2	324.340	2.006	50	30		DEEALN
COc1ccc(-c2[nH][nH]c(=O)c2N=Nc2cccc(OC)c2)cc1	ZINC000049033769	402010735	/nfs/dbraw/zinc/01/07/35/402010735.db2.gz	HGOPLFLDDUEUQT-UHFFFAOYSA-N	0	2	324.340	2.006	50	30		DEEALN
N#Cc1ccnc(NS(=O)(=O)c2cccc3ncccc32)c1	ZINC000170608330	402507057	/nfs/dbraw/zinc/50/70/57/402507057.db2.gz	FSLILDAWOFSPQA-UHFFFAOYSA-N	0	2	310.338	2.302	50	30		DEEALN
C=CCn1c(SCC(N)=O)nnc1-c1cccc(Cl)c1	ZINC000005477905	181247924	/nfs/dbraw/zinc/24/79/24/181247924.db2.gz	NHTAREVXQFXHOV-UHFFFAOYSA-N	0	2	308.794	2.362	50	30		DEEALN
CC/N=C1/SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000012632092	401789705	/nfs/dbraw/zinc/78/97/05/401789705.db2.gz	NKQUIQVZHWSVQC-OPGVCCBYSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1/S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000012632092	401789707	/nfs/dbraw/zinc/78/97/07/401789707.db2.gz	NKQUIQVZHWSVQC-OPGVCCBYSA-N	0	2	323.393	2.494	50	30		DEEALN
O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000095349721	402026308	/nfs/dbraw/zinc/02/63/08/402026308.db2.gz	UMACOWNUVRRBOQ-BDAKNGLRSA-N	0	2	307.697	2.378	50	30		DEEALN
N#Cc1ccc(SCc2n[nH]c(=O)[nH]2)cc1C(F)(F)F	ZINC000096007253	402046428	/nfs/dbraw/zinc/04/64/28/402046428.db2.gz	VNDFXWXCIOSQAB-UHFFFAOYSA-N	0	2	300.265	2.281	50	30		DEEALN
C=CCCCS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C	ZINC000585129533	790325980	/nfs/dbraw/zinc/32/59/80/790325980.db2.gz	MUMTYMWJPHRNAK-UHFFFAOYSA-N	0	2	324.381	2.423	50	30		DEEALN
CCOC(=O)[C@H](C(C)=O)[C@@H](c1cccc(OC)c1)C(C#N)C#N	ZINC000075259941	355077095	/nfs/dbraw/zinc/07/70/95/355077095.db2.gz	KUTFFALAPAREAH-CVEARBPZSA-N	0	2	314.341	2.210	50	30		DEEALN
CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1	ZINC000005870245	181291970	/nfs/dbraw/zinc/29/19/70/181291970.db2.gz	CRIMWSSTZSEVSS-LLVKDONJSA-N	0	2	309.366	2.152	50	30		DEEALN
CCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1	ZINC000005870245	181291968	/nfs/dbraw/zinc/29/19/68/181291968.db2.gz	CRIMWSSTZSEVSS-LLVKDONJSA-N	0	2	309.366	2.152	50	30		DEEALN
CC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Cl)S1	ZINC000006655187	181366057	/nfs/dbraw/zinc/36/60/57/181366057.db2.gz	JEWMBHNSNPYLBO-JTQLQIEISA-N	0	2	311.794	2.276	50	30		DEEALN
CC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Cl)S1	ZINC000006655187	181366059	/nfs/dbraw/zinc/36/60/59/181366059.db2.gz	JEWMBHNSNPYLBO-JTQLQIEISA-N	0	2	311.794	2.276	50	30		DEEALN
CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)[nH]n1	ZINC000096433491	402085755	/nfs/dbraw/zinc/08/57/55/402085755.db2.gz	TXJGXUMJTZHAEI-UHFFFAOYSA-N	0	2	304.375	2.380	50	30		DEEALN
CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1	ZINC000096433491	402085758	/nfs/dbraw/zinc/08/57/58/402085758.db2.gz	TXJGXUMJTZHAEI-UHFFFAOYSA-N	0	2	304.375	2.380	50	30		DEEALN
Cc1cc(O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)o1	ZINC000100742359	402142436	/nfs/dbraw/zinc/14/24/36/402142436.db2.gz	BQSRHXRJUCISMQ-DUXPYHPUSA-N	0	2	300.266	2.279	50	30	biogenic	DEEALN
COc1ccccc1OCCN1c2ccccc2/C(=N/O)C1=O	ZINC000046085071	424818943	/nfs/dbraw/zinc/81/89/43/424818943.db2.gz	DZBSTLXJPVCBPD-VLGSPTGOSA-N	0	2	312.325	2.299	50	30		DEEALN
CC/N=C1\S[C@H](CC(=O)NCc2ccccc2)C(=O)N1CC	ZINC000101918470	684057174	/nfs/dbraw/zinc/05/71/74/684057174.db2.gz	JBGGPDZJFJSANA-VLUKHXRESA-N	0	2	319.430	2.033	50	30		DEEALN
CCCn1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O	ZINC000003887030	181053183	/nfs/dbraw/zinc/05/31/83/181053183.db2.gz	DAANZFZSABSQKF-UHFFFAOYSA-N	0	2	300.289	2.206	50	30		DEEALN
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C3CC3)c2)c1	ZINC000005861902	181290545	/nfs/dbraw/zinc/29/05/45/181290545.db2.gz	VQXUKOIAVIVBSW-UHFFFAOYSA-N	0	2	310.309	2.000	50	30		DEEALN
Cc1csc(C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665029	401860957	/nfs/dbraw/zinc/86/09/57/401860957.db2.gz	BIFCPUHDCWIDCA-SNVBAGLBSA-N	0	2	309.391	2.495	50	30		DEEALN
Cc1csc([C@H](C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665029	401860960	/nfs/dbraw/zinc/86/09/60/401860960.db2.gz	BIFCPUHDCWIDCA-SNVBAGLBSA-N	0	2	309.391	2.495	50	30		DEEALN
CCOc1ccc(C(O)=C(C#N)C(=O)N2CCCCC2)cc1	ZINC000103502451	424848634	/nfs/dbraw/zinc/84/86/34/424848634.db2.gz	UICZBMLQJNUYSB-HNNXBMFYSA-N	0	2	300.358	2.420	50	30		DEEALN
CCCS(=O)(=O)[N-]C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000089971957	185272665	/nfs/dbraw/zinc/27/26/65/185272665.db2.gz	MVZNNLWBMYPEJX-LBPRGKRZSA-N	0	2	310.419	2.130	50	30		DEEALN
CCCS(=O)(=O)[N-]C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1	ZINC000089971957	185272666	/nfs/dbraw/zinc/27/26/66/185272666.db2.gz	MVZNNLWBMYPEJX-LBPRGKRZSA-N	0	2	310.419	2.130	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000100572480	402141751	/nfs/dbraw/zinc/14/17/51/402141751.db2.gz	NKQUIQVZHWSVQC-UWENYHRYSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1CC	ZINC000100572480	402141754	/nfs/dbraw/zinc/14/17/54/402141754.db2.gz	NKQUIQVZHWSVQC-UWENYHRYSA-N	0	2	323.393	2.494	50	30		DEEALN
COc1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000103503503	424848701	/nfs/dbraw/zinc/84/87/01/424848701.db2.gz	XIHRQYARGKXGHE-MRXNPFEDSA-N	0	2	308.337	2.334	50	30		DEEALN
CC(=O)C1C(=O)C(=O)N(C)[C@H]1c1ccc(Br)cc1	ZINC000000291077	401693442	/nfs/dbraw/zinc/69/34/42/401693442.db2.gz	RJIAIPXGFBFAEJ-NSHDSACASA-N	0	2	310.147	2.363	50	30		DEEALN
CC/N=C1\S[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CC	ZINC000013153515	401796822	/nfs/dbraw/zinc/79/68/22/401796822.db2.gz	QLJULGLASUDEHU-SUQMRRJOSA-N	0	2	311.451	2.165	50	30		DEEALN
CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)no1	ZINC000096001684	402045274	/nfs/dbraw/zinc/04/52/74/402045274.db2.gz	UAZQKWWGFXVJOK-UHFFFAOYSA-N	0	2	306.347	2.040	50	30		DEEALN
CC/N=C1/S[C@H](CC(=O)NC2CCCCC2)C(=O)N1CC	ZINC000100878958	402142762	/nfs/dbraw/zinc/14/27/62/402142762.db2.gz	QLJULGLASUDEHU-IUDBQGPFSA-N	0	2	311.451	2.165	50	30		DEEALN
Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556474	526428147	/nfs/dbraw/zinc/42/81/47/526428147.db2.gz	MKBYASVJFVHAIP-CHWSQXEVSA-N	0	2	317.414	2.276	50	30		DEEALN
Cc1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556474	526428150	/nfs/dbraw/zinc/42/81/50/526428150.db2.gz	MKBYASVJFVHAIP-CHWSQXEVSA-N	0	2	317.414	2.276	50	30		DEEALN
CC[C@H](C)/N=C1\NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1	ZINC000006603702	401732304	/nfs/dbraw/zinc/73/23/04/401732304.db2.gz	UDADIIACIUQSDV-WCQYABFASA-N	0	2	319.430	2.079	50	30		DEEALN
CC(=O)C1C(=O)C(=O)N(C)[C@@H]1c1ccc(Br)cc1	ZINC000000291083	401693295	/nfs/dbraw/zinc/69/32/95/401693295.db2.gz	RJIAIPXGFBFAEJ-LLVKDONJSA-N	0	2	310.147	2.363	50	30		DEEALN
Cc1cc(O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(=O)o1	ZINC000013125147	401797028	/nfs/dbraw/zinc/79/70/28/401797028.db2.gz	VIJRQPQWTZYIJO-AATRIKPKSA-N	0	2	301.254	2.458	50	30		DEEALN
COC(=O)c1sccc1NS(=O)(=O)c1ccccc1C#N	ZINC000009116219	401759572	/nfs/dbraw/zinc/75/95/72/401759572.db2.gz	YEUKPAKSMOIRGB-UHFFFAOYSA-N	0	2	322.367	2.207	50	30		DEEALN
N#CCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1	ZINC000012630981	401789513	/nfs/dbraw/zinc/78/95/13/401789513.db2.gz	OIUFTKFJXRFMCM-UHFFFAOYSA-N	0	2	322.367	2.229	50	30		DEEALN
CCOC(=O)c1ccc(C/C(=N\O)c2ccc(O)cc2O)o1	ZINC000103613984	402193143	/nfs/dbraw/zinc/19/31/43/402193143.db2.gz	FXMZORIQNOXYIA-FOWTUZBSSA-N	0	2	305.286	2.289	50	30		DEEALN
Cc1cc(C=Nn2c(S)nnc(C)c2=O)c(C)n1CC(C)C	ZINC000254399183	402670919	/nfs/dbraw/zinc/67/09/19/402670919.db2.gz	JSVIHCRCYOIPGI-UHFFFAOYSA-N	0	2	319.434	2.192	50	30		DEEALN
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(C)c(=O)c2)n1	ZINC000080456755	519857013	/nfs/dbraw/zinc/85/70/13/519857013.db2.gz	YJZLRFHDCPIFTF-NSHDSACASA-N	0	2	301.371	2.455	50	30		DEEALN
O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NC2CCCCC2)c1	ZINC000263622565	640438348	/nfs/dbraw/zinc/43/83/48/640438348.db2.gz	RQJFGVCMWPRFGW-UHFFFAOYSA-N	0	2	322.390	2.431	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1	ZINC000004377402	181104262	/nfs/dbraw/zinc/10/42/62/181104262.db2.gz	QWTNNZCOXBUMHC-LLVKDONJSA-N	0	2	323.805	2.442	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1	ZINC000004377402	181104264	/nfs/dbraw/zinc/10/42/64/181104264.db2.gz	QWTNNZCOXBUMHC-LLVKDONJSA-N	0	2	323.805	2.442	50	30		DEEALN
N#CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000000328842	401694705	/nfs/dbraw/zinc/69/47/05/401694705.db2.gz	SVEDADKSGUZFOI-UHFFFAOYSA-N	0	2	317.326	2.462	50	30		DEEALN
Cc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)c(F)cc1F	ZINC000084505036	401906139	/nfs/dbraw/zinc/90/61/39/401906139.db2.gz	IKXXXCAODHZTNS-UHFFFAOYSA-N	0	2	309.297	2.341	50	30		DEEALN
CCc1cc(NS(=O)(=O)c2cccc(C#N)c2)nc(C)n1	ZINC000097137642	402110313	/nfs/dbraw/zinc/11/03/13/402110313.db2.gz	QJYFDWKWGKQHDB-UHFFFAOYSA-N	0	2	302.359	2.020	50	30		DEEALN
Cc1ccc(S(=O)(=O)N=C(O)NCc2cccc(C)n2)cc1	ZINC000071769445	525484108	/nfs/dbraw/zinc/48/41/08/525484108.db2.gz	ULGXZCHBYZRVBA-UHFFFAOYSA-N	0	2	319.386	2.091	50	30		DEEALN
COc1cccc(NC(O)=NS(=O)(=O)c2cccs2)c1	ZINC000071769444	526138882	/nfs/dbraw/zinc/13/88/82/526138882.db2.gz	XKSXNGLCVUMBFB-UHFFFAOYSA-N	0	2	312.372	2.472	50	30		DEEALN
NC(=NC(=O)c1cc(Cl)ccc1O)NCc1ccccc1	ZINC000025579624	526805461	/nfs/dbraw/zinc/80/54/61/526805461.db2.gz	VASFJKKEVLBNNO-UHFFFAOYSA-N	0	2	303.749	2.290	50	30		DEEALN
Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n(C)n1	ZINC000066247854	184398930	/nfs/dbraw/zinc/39/89/30/184398930.db2.gz	NLDSSWDAILHPAX-UHFFFAOYSA-N	0	2	310.766	2.054	50	30		DEEALN
COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)C/C2=N\O	ZINC000095921803	286259744	/nfs/dbraw/zinc/25/97/44/286259744.db2.gz	NPXXPZOFKWAMQL-YQWWIIDMSA-N	0	2	318.251	2.005	50	30		DEEALN
O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000095349722	402026501	/nfs/dbraw/zinc/02/65/01/402026501.db2.gz	UMACOWNUVRRBOQ-IUCAKERBSA-N	0	2	307.697	2.378	50	30		DEEALN
Cc1nscc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000184554394	402275329	/nfs/dbraw/zinc/27/53/29/402275329.db2.gz	ZLJFYQWCZKNTKT-JTQLQIEISA-N	0	2	301.375	2.260	50	30		DEEALN
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc1	ZINC000036201088	304802923	/nfs/dbraw/zinc/80/29/23/304802923.db2.gz	SXPRPUGIRHGGHA-MKMNVTDBSA-N	0	2	303.234	2.050	50	30		DEEALN
C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1CC=C	ZINC000820505576	1090550650	/nfs/dbraw/zinc/55/06/50/1090550650.db2.gz	BCYOBUFVHGBGRW-KRWDZBQOSA-N	0	2	317.385	2.265	50	30		DEEALN
C=CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1CC=C	ZINC000820505576	1090550653	/nfs/dbraw/zinc/55/06/53/1090550653.db2.gz	BCYOBUFVHGBGRW-KRWDZBQOSA-N	0	2	317.385	2.265	50	30		DEEALN
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)Cc1cccc(F)c1	ZINC000074823972	191366075	/nfs/dbraw/zinc/36/60/75/191366075.db2.gz	HNJAQULIRFAMJS-JTQLQIEISA-N	0	2	311.320	2.500	50	30		DEEALN
Cc1nscc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000184554375	402275139	/nfs/dbraw/zinc/27/51/39/402275139.db2.gz	ZLJFYQWCZKNTKT-SNVBAGLBSA-N	0	2	301.375	2.260	50	30		DEEALN
O=C1Nc2ccccc2N[C@@H]1c1oc(-c2ccccc2)cc1O	ZINC000100838712	402142742	/nfs/dbraw/zinc/14/27/42/402142742.db2.gz	VWSXFUINYBNAIR-IAGOWNOFSA-N	0	2	306.321	2.428	50	30		DEEALN
O=C1Nc2ccccc2N[C@H]1c1oc(-c2ccccc2)cc1O	ZINC000100838721	402142828	/nfs/dbraw/zinc/14/28/28/402142828.db2.gz	VWSXFUINYBNAIR-DLBZAZTESA-N	0	2	306.321	2.428	50	30		DEEALN
COC(=O)c1sccc1NN=C(C)c1ccc(O)c(O)c1O	ZINC000003909117	522441272	/nfs/dbraw/zinc/44/12/72/522441272.db2.gz	FSQZEARWKDKOLA-CHHVJCJISA-N	0	2	322.342	2.488	50	30		DEEALN
Cc1ccc(S(=O)(=O)N=C(O)Nc2cccc(C)n2)cc1	ZINC000000153935	401688587	/nfs/dbraw/zinc/68/85/87/401688587.db2.gz	RLDFROKFPAGJLI-UHFFFAOYSA-N	0	2	305.359	2.413	50	30		DEEALN
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC1(Cl)Cl	ZINC000105262071	424849718	/nfs/dbraw/zinc/84/97/18/424849718.db2.gz	QSLFFTDATZOXQE-NXEZZACHSA-N	0	2	303.189	2.338	50	30		DEEALN
N=C1NN(C(=O)c2ccccc2)C(=N)C1=NNc1ccc(F)cc1	ZINC000006060855	526839418	/nfs/dbraw/zinc/83/94/18/526839418.db2.gz	OSBQVIRLDDGZJM-XVMMMKGPSA-N	0	2	324.319	2.209	50	30		DEEALN
N=c1c(N=Nc2ccc(F)cc2)c(N)[nH]n1C(=O)c1ccccc1	ZINC000006060855	526839424	/nfs/dbraw/zinc/83/94/24/526839424.db2.gz	OSBQVIRLDDGZJM-XVMMMKGPSA-N	0	2	324.319	2.209	50	30		DEEALN
C=CCNC(=O)CCCn1c(=O)c2sccc2[nH]c1=S	ZINC000002925408	353991423	/nfs/dbraw/zinc/99/14/23/353991423.db2.gz	LIDPTDUGJYWWJG-UHFFFAOYSA-N	0	2	309.416	2.203	50	30		DEEALN
CC(=O)Nc1nc(C(=O)C(C#N)c2ccc(F)cn2)cs1	ZINC000076094843	355125665	/nfs/dbraw/zinc/12/56/65/355125665.db2.gz	OXSMSHRIMXKBNP-VIFPVBQESA-N	0	2	304.306	2.126	50	30		DEEALN
N#Cc1ccc(Br)c(CSc2n[nH]c(=O)[nH]2)c1	ZINC000194641707	201267029	/nfs/dbraw/zinc/26/70/29/201267029.db2.gz	SFXZPTURBDSUFC-UHFFFAOYSA-N	0	2	311.164	2.437	50	30		DEEALN
COc1cccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c1O	ZINC000013125155	401797036	/nfs/dbraw/zinc/79/70/36/401797036.db2.gz	SSDQHOMLUVVACD-VOTSOKGWSA-N	0	2	302.282	2.264	50	30		DEEALN
CNC(=O)C(C#N)=C(O)c1ccc(OC2CCCCC2)cc1	ZINC000102748994	402171474	/nfs/dbraw/zinc/17/14/74/402171474.db2.gz	KJHLFZPKOMZYPL-OAHLLOKOSA-N	0	2	300.358	2.467	50	30		DEEALN
N#Cc1nc(NC(=O)c2ccc(N3CCCC3)c(F)c2)[nH]c1C#N	ZINC000069951019	402252447	/nfs/dbraw/zinc/25/24/47/402252447.db2.gz	TTZBPCIXPRBKGE-UHFFFAOYSA-N	0	2	324.319	2.145	50	30		DEEALN
CNC(=O)C(C#N)=C(O)c1ccc(OC)c(-c2ccccc2)c1	ZINC000103732462	424848740	/nfs/dbraw/zinc/84/87/40/424848740.db2.gz	LJFKTLLMAOKDMF-HNNXBMFYSA-N	0	2	308.337	2.431	50	30		DEEALN
CC(C)n1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O	ZINC000002650186	280764764	/nfs/dbraw/zinc/76/47/64/280764764.db2.gz	SLZMHDGSKXQLLU-UHFFFAOYSA-N	0	2	300.289	2.377	50	30		DEEALN
CCCS(=O)(=O)[N-]C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000089971956	185272566	/nfs/dbraw/zinc/27/25/66/185272566.db2.gz	MVZNNLWBMYPEJX-GFCCVEGCSA-N	0	2	310.419	2.130	50	30		DEEALN
CCCS(=O)(=O)[N-]C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1	ZINC000089971956	185272567	/nfs/dbraw/zinc/27/25/67/185272567.db2.gz	MVZNNLWBMYPEJX-GFCCVEGCSA-N	0	2	310.419	2.130	50	30		DEEALN
N#Cc1nc(NC(=O)Cc2csc(-c3ccco3)n2)[nH]c1C#N	ZINC000040501114	183083626	/nfs/dbraw/zinc/08/36/26/183083626.db2.gz	KFDWTERBJUMTIC-UHFFFAOYSA-N	0	2	324.325	2.051	50	30		DEEALN
C/N=C1\NC(=O)C(CC(=O)Nc2ccc3ccccc3c2)S1	ZINC000007883190	401745072	/nfs/dbraw/zinc/74/50/72/401745072.db2.gz	MFDLKOFPBLTLQT-ZDUSSCGKSA-N	0	2	313.382	2.386	50	30		DEEALN
C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1	ZINC000007883190	401745074	/nfs/dbraw/zinc/74/50/74/401745074.db2.gz	MFDLKOFPBLTLQT-ZDUSSCGKSA-N	0	2	313.382	2.386	50	30		DEEALN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1	ZINC000000125494	401688372	/nfs/dbraw/zinc/68/83/72/401688372.db2.gz	QLJOZUMRMDNDSH-UHFFFAOYSA-N	0	2	315.354	2.317	50	30		DEEALN
C=CC/N=C1/NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1	ZINC000015226090	401816669	/nfs/dbraw/zinc/81/66/69/401816669.db2.gz	MOMWFPFADUCZEH-GFCCVEGCSA-N	0	2	317.414	2.406	50	30		DEEALN
C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1	ZINC000015226090	401816671	/nfs/dbraw/zinc/81/66/71/401816671.db2.gz	MOMWFPFADUCZEH-GFCCVEGCSA-N	0	2	317.414	2.406	50	30		DEEALN
COc1ccc(NS(=O)(=O)c2ccccc2C#N)c(OC)c1	ZINC000016147560	401819052	/nfs/dbraw/zinc/81/90/52/401819052.db2.gz	QUYXANUGEKFXLG-UHFFFAOYSA-N	0	2	318.354	2.376	50	30		DEEALN
N#Cc1nc(NC(=O)Cc2ccc(C(F)(F)F)cc2)[nH]c1C#N	ZINC000044910125	401950404	/nfs/dbraw/zinc/95/04/04/401950404.db2.gz	QJCVAEMZRUSUFE-UHFFFAOYSA-N	0	2	319.246	2.353	50	30		DEEALN
Cc1nc(CC(C)C)sc1C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000066620483	402137819	/nfs/dbraw/zinc/13/78/19/402137819.db2.gz	GUFUZPAIUAMVPA-UHFFFAOYSA-N	0	2	314.374	2.369	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000100637832	402142173	/nfs/dbraw/zinc/14/21/73/402142173.db2.gz	XDGYPDBQJRLQFF-SUQMRRJOSA-N	0	2	305.403	2.355	50	30		DEEALN
CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC	ZINC000100637832	402142174	/nfs/dbraw/zinc/14/21/74/402142174.db2.gz	XDGYPDBQJRLQFF-SUQMRRJOSA-N	0	2	305.403	2.355	50	30		DEEALN
Cc1noc(C)c1S(=O)(=O)NC(=O)c1ccc2c(c1)COC2	ZINC000050204741	526546143	/nfs/dbraw/zinc/54/61/43/526546143.db2.gz	RJYTVIZPQNZRJT-UHFFFAOYSA-N	0	2	322.342	2.015	50	30		DEEALN
COC(=O)c1sccc1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000007709013	401743260	/nfs/dbraw/zinc/74/32/60/401743260.db2.gz	HGEKJLVCJHCEJK-UHFFFAOYSA-N	0	2	322.367	2.207	50	30		DEEALN
CC/N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000013425377	401799915	/nfs/dbraw/zinc/79/99/15/401799915.db2.gz	BXOGPVCDDOKCMU-UWENYHRYSA-N	0	2	323.393	2.494	50	30		DEEALN
CC/N=C1\S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1CC	ZINC000013425377	401799919	/nfs/dbraw/zinc/79/99/19/401799919.db2.gz	BXOGPVCDDOKCMU-UWENYHRYSA-N	0	2	323.393	2.494	50	30		DEEALN
C/N=C1\SC(CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000101127025	402143920	/nfs/dbraw/zinc/14/39/20/402143920.db2.gz	UILIDAIWUBQGAT-PHIZWAGYSA-N	0	2	323.443	2.297	50	30		DEEALN
C/N=C1\S[C@H](CC(=O)Nc2ccccc2SC)C(=O)N1C	ZINC000101127025	402143924	/nfs/dbraw/zinc/14/39/24/402143924.db2.gz	UILIDAIWUBQGAT-PHIZWAGYSA-N	0	2	323.443	2.297	50	30		DEEALN
Cc1ccc2c(c1)/C(=N\N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)N2	ZINC000036047186	526137631	/nfs/dbraw/zinc/13/76/31/526137631.db2.gz	FGZVKQRHJOPASQ-CAOOACKPSA-N	0	2	324.296	2.384	50	30		DEEALN
Cc1csc([C@H](C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556476	526427826	/nfs/dbraw/zinc/42/78/26/526427826.db2.gz	MKBYASVJFVHAIP-QWHCGFSZSA-N	0	2	317.414	2.276	50	30		DEEALN
Cc1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1	ZINC000078556476	526427829	/nfs/dbraw/zinc/42/78/29/526427829.db2.gz	MKBYASVJFVHAIP-QWHCGFSZSA-N	0	2	317.414	2.276	50	30		DEEALN
N#Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000003295420	181001496	/nfs/dbraw/zinc/00/14/96/181001496.db2.gz	CYRSECFSAFFOFA-UHFFFAOYSA-N	0	2	303.299	2.267	50	30		DEEALN
C=CCOc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004727688	181143926	/nfs/dbraw/zinc/14/39/26/181143926.db2.gz	KSJKLIWETLGBIM-BQYQJAHWSA-N	0	2	315.285	2.119	50	30		DEEALN
O=C1CSC(NN=Cc2cc(Cl)cc(Cl)c2O)=N1	ZINC000005648910	181268091	/nfs/dbraw/zinc/26/80/91/181268091.db2.gz	BBFZNAMYBDLSGK-QLKAYGNNSA-N	0	2	304.158	2.252	50	30		DEEALN
CC/N=C1\S[C@H](CC(=O)NC2CCCCC2)C(=O)N1CC	ZINC000013153517	181834568	/nfs/dbraw/zinc/83/45/68/181834568.db2.gz	QLJULGLASUDEHU-KXEGMRRWSA-N	0	2	311.451	2.165	50	30		DEEALN
CCNC(=O)C[C@H]1S/C(=N\c2ccccc2C)N(C)C1=O	ZINC000100204717	402140301	/nfs/dbraw/zinc/14/03/01/402140301.db2.gz	FDXKWQUWOLZNDX-UWENYHRYSA-N	0	2	305.403	2.083	50	30		DEEALN
C/N=C1/SC(CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000100272084	402140652	/nfs/dbraw/zinc/14/06/52/402140652.db2.gz	CJYUMXMICQEOQV-IUDBQGPFSA-N	0	2	305.403	2.192	50	30		DEEALN
C/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N1C	ZINC000100272084	402140654	/nfs/dbraw/zinc/14/06/54/402140654.db2.gz	CJYUMXMICQEOQV-IUDBQGPFSA-N	0	2	305.403	2.192	50	30		DEEALN
CCOc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1	ZINC000105508291	402208297	/nfs/dbraw/zinc/20/82/97/402208297.db2.gz	AZTGECICMILNBR-FSNWXROXSA-N	0	2	300.310	2.314	50	30		DEEALN
CCCC/N=C1/NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1	ZINC000021132890	519887128	/nfs/dbraw/zinc/88/71/28/519887128.db2.gz	MLRRGIJQMVNYFU-CYBMUJFWSA-N	0	2	319.430	2.081	50	30		DEEALN
C[C@@H](CCOc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1	ZINC000072700688	191217963	/nfs/dbraw/zinc/21/79/63/191217963.db2.gz	LZBMDYXUQRAWPB-NSHDSACASA-N	0	2	309.329	2.197	50	30		DEEALN
C=CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCC)c2=O	ZINC000003043419	353991734	/nfs/dbraw/zinc/99/17/34/353991734.db2.gz	UNVNAZUFMUUERH-UHFFFAOYSA-N	0	2	303.387	2.385	50	30		DEEALN
N#CC(C(=O)c1ccco1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000009338870	401761583	/nfs/dbraw/zinc/76/15/83/401761583.db2.gz	GRUVFHGAJDZYFN-LLVKDONJSA-N	0	2	320.312	2.280	50	30		DEEALN
N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC1(Cl)Cl	ZINC000105262065	424849322	/nfs/dbraw/zinc/84/93/22/424849322.db2.gz	QSLFFTDATZOXQE-VHSXEESVSA-N	0	2	303.189	2.338	50	30		DEEALN
CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)/C1=N\O	ZINC000013475797	281701170	/nfs/dbraw/zinc/70/11/70/281701170.db2.gz	GJOIQDZMZMNMLX-SXGWCWSVSA-N	0	2	316.195	2.166	50	30		DEEALN
N#Cc1c(=O)n(Cc2ccccc2)c(=O)[nH]c1-c1ccccc1	ZINC000000038064	303173915	/nfs/dbraw/zinc/17/39/15/303173915.db2.gz	ZUWRFSDFPAPICG-UHFFFAOYSA-N	0	2	303.321	2.124	50	30		DEEALN
Cc1nn(C)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C	ZINC000078612508	401858615	/nfs/dbraw/zinc/85/86/15/401858615.db2.gz	ZVDVXFUWZQDFLA-UHFFFAOYSA-N	0	2	324.793	2.363	50	30		DEEALN
Cc1csc(C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665027	401860963	/nfs/dbraw/zinc/86/09/63/401860963.db2.gz	BIFCPUHDCWIDCA-JTQLQIEISA-N	0	2	309.391	2.495	50	30		DEEALN
Cc1csc([C@@H](C#N)C(=O)CN(C)C(=O)OC(C)(C)C)n1	ZINC000078665027	401860965	/nfs/dbraw/zinc/86/09/65/401860965.db2.gz	BIFCPUHDCWIDCA-JTQLQIEISA-N	0	2	309.391	2.495	50	30		DEEALN
CCc1n[nH]c(=S)n1N=Cc1cc(OC)cc([N+](=O)[O-])c1O	ZINC000252640227	402659584	/nfs/dbraw/zinc/65/95/84/402659584.db2.gz	YRQYVFWFKBBXCV-UHFFFAOYSA-N	0	2	323.334	2.008	50	30		DEEALN
CC(=O)c1ccc(S(=O)(=O)N=C(O)NC2CCCCC2)cc1	ZINC000018067894	518401352	/nfs/dbraw/zinc/40/13/52/518401352.db2.gz	VGZSUPCWNCWDAN-UHFFFAOYSA-N	0	2	324.402	2.414	50	30	world	DEEALN
CCn1[nH]c(C)c([C@H](c2ccccc2OC)C(C#N)C#N)c1=O	ZINC000005398272	401729476	/nfs/dbraw/zinc/72/94/76/401729476.db2.gz	WEGJWPWNCGOQQB-CVEARBPZSA-N	0	2	310.357	2.296	50	30		DEEALN
C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1CC=C	ZINC000820505577	1090550131	/nfs/dbraw/zinc/55/01/31/1090550131.db2.gz	BCYOBUFVHGBGRW-QGZVFWFLSA-N	0	2	317.385	2.265	50	30		DEEALN
C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1CC=C	ZINC000820505577	1090550136	/nfs/dbraw/zinc/55/01/36/1090550136.db2.gz	BCYOBUFVHGBGRW-QGZVFWFLSA-N	0	2	317.385	2.265	50	30		DEEALN
CCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2F)S1	ZINC000005870218	181291629	/nfs/dbraw/zinc/29/16/29/181291629.db2.gz	CRIMWSSTZSEVSS-NSHDSACASA-N	0	2	309.366	2.152	50	30		DEEALN
CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2F)S1	ZINC000005870218	181291631	/nfs/dbraw/zinc/29/16/31/181291631.db2.gz	CRIMWSSTZSEVSS-NSHDSACASA-N	0	2	309.366	2.152	50	30		DEEALN
C=CC/N=C1\S[C@@H](C)C(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000100842627	402142857	/nfs/dbraw/zinc/14/28/57/402142857.db2.gz	IVENNWFAMWJAKK-ICFTUWFRSA-N	0	2	324.427	2.190	50	30		DEEALN
C=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1	ZINC000100842627	402142860	/nfs/dbraw/zinc/14/28/60/402142860.db2.gz	IVENNWFAMWJAKK-ICFTUWFRSA-N	0	2	324.427	2.190	50	30		DEEALN
CCOc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1	ZINC000102786798	424848139	/nfs/dbraw/zinc/84/81/39/424848139.db2.gz	SCCKSQOVKDHMOW-PTZVLDCSSA-N	0	2	300.310	2.314	50	30		DEEALN
CCOC(=O)[C@@H](C(C)=O)[C@@H](c1cccc(OC)c1)C(C#N)C#N	ZINC000075259943	355077209	/nfs/dbraw/zinc/07/72/09/355077209.db2.gz	KUTFFALAPAREAH-HOTGVXAUSA-N	0	2	314.341	2.210	50	30		DEEALN
CCc1nc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)s1	ZINC000360803269	207399986	/nfs/dbraw/zinc/39/99/86/207399986.db2.gz	SULJATTYFFVJQJ-UHFFFAOYSA-N	0	2	308.388	2.081	50	30		DEEALN
Cc1ccc(S(=O)(=O)N=C(O)NCCc2ccccc2)cc1	ZINC000000205673	401690751	/nfs/dbraw/zinc/69/07/51/401690751.db2.gz	CZHCDTXIWCBSSU-UHFFFAOYSA-N	0	2	318.398	2.430	50	30		DEEALN
C=CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[nH]1	ZINC000008762799	401756566	/nfs/dbraw/zinc/75/65/66/401756566.db2.gz	ZUFJHULEMFYHKP-UHFFFAOYSA-N	0	2	302.359	2.481	50	30		DEEALN
N#C[C@@H]1C(=O)NC(N2CCc3ccccc32)=NC12CCCCC2	ZINC000009096613	401759551	/nfs/dbraw/zinc/75/95/51/401759551.db2.gz	WUIGEFCKYPAWFX-CQSZACIVSA-N	0	2	308.385	2.378	50	30		DEEALN
Cc1nc(C#N)c(-n2cc(C(=O)c3cc(F)ccc3O)cn2)o1	ZINC000055149269	402076494	/nfs/dbraw/zinc/07/64/94/402076494.db2.gz	JIKKSMAIKOTGLT-UHFFFAOYSA-N	0	2	312.260	2.116	50	30		DEEALN
CNC(=O)C(C#N)=C(O)c1ccc(OC2CCCCC2)cc1	ZINC000102748991	402171379	/nfs/dbraw/zinc/17/13/79/402171379.db2.gz	KJHLFZPKOMZYPL-HNNXBMFYSA-N	0	2	300.358	2.467	50	30		DEEALN
COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCC(=O)[O-]	ZINC000534631021	334307556	/nfs/dbraw/zinc/30/75/56/334307556.db2.gz	FKHCPKSSOPJRFB-KRWDZBQOSA-N	0	2	318.373	2.284	50	30		DEEALN
COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCC(=O)[O-]	ZINC000534631021	334307558	/nfs/dbraw/zinc/30/75/58/334307558.db2.gz	FKHCPKSSOPJRFB-KRWDZBQOSA-N	0	2	318.373	2.284	50	30		DEEALN
N#C[C@@H](C(=O)C1CCC1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000049391483	526490426	/nfs/dbraw/zinc/49/04/26/526490426.db2.gz	UFEFYQZNVSNKRR-LBPRGKRZSA-N	0	2	308.345	2.174	50	30		DEEALN
N#CC(C(=O)C1CCC1)c1nc(N)nc(Nc2ccccc2)n1	ZINC000049391483	526490431	/nfs/dbraw/zinc/49/04/31/526490431.db2.gz	UFEFYQZNVSNKRR-LBPRGKRZSA-N	0	2	308.345	2.174	50	30		DEEALN
NC(=NC(=O)c1cc(Cl)ccc1O)NCCc1ccccc1	ZINC000004087190	526800318	/nfs/dbraw/zinc/80/03/18/526800318.db2.gz	BNGHTGAOZUJLCR-UHFFFAOYSA-N	0	2	317.776	2.333	50	30		DEEALN