smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc(C#CCN)c1 ZINC000088310900 185245215 /nfs/dbraw/zinc/24/52/15/185245215.db2.gz MVSNYNMQSDSZDY-KBPBESRZSA-N 0 3 308.447 2.100 10 30 DEEEHN Cc1c(C#CCN)cccc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000088444061 185250889 /nfs/dbraw/zinc/25/08/89/185250889.db2.gz LYEQNZODNLFGRF-STQMWFEESA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1ccc(F)c(C(=O)NCc2sccc2C#CCN)c1 ZINC000148654321 186045719 /nfs/dbraw/zinc/04/57/19/186045719.db2.gz BSASTZDZRWVRJP-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN N#Cc1ccc(NC(=O)CCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172800656 198150653 /nfs/dbraw/zinc/15/06/53/198150653.db2.gz XVUIRMPTCBOIKY-QGZVFWFLSA-N 0 3 312.417 2.057 10 30 DEEEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173652860 198236283 /nfs/dbraw/zinc/23/62/83/198236283.db2.gz BUXCLJAADFBLNG-CZUORRHYSA-N 0 3 323.400 2.277 10 30 DEEEHN CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CCN1C[C@H](C)O ZINC000246382907 356313227 /nfs/dbraw/zinc/31/32/27/356313227.db2.gz IKQYGYWOTUZNQE-YJBOKZPZSA-N 0 3 320.864 2.469 10 30 DEEEHN C=C[C@@H](NC[C@]1(C)CCCN1Cc1ccccc1)C(=O)OC ZINC000397890203 356719172 /nfs/dbraw/zinc/71/91/72/356719172.db2.gz FWEKQIMGAHXLKM-AEFFLSMTSA-N 0 3 302.418 2.358 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC000593094843 358008290 /nfs/dbraw/zinc/00/82/90/358008290.db2.gz IOAJSLSTFDBLCM-KGLIPLIRSA-N 0 3 315.417 2.049 10 30 DEEEHN CN(CCOCc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594446522 358273956 /nfs/dbraw/zinc/27/39/56/358273956.db2.gz UVFMUCCIFBRKNS-INIZCTEOSA-N 0 3 303.406 2.073 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)[C@@H](OC)C1 ZINC000189259755 200371567 /nfs/dbraw/zinc/37/15/67/200371567.db2.gz WJFGXSVZLWTAJX-DYVFJYSZSA-N 0 3 304.390 2.302 10 30 DEEEHN NCC#Cc1cnccc1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000091462180 193059397 /nfs/dbraw/zinc/05/93/97/193059397.db2.gz PXDONFDZMIXVJY-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638940 242048736 /nfs/dbraw/zinc/04/87/36/242048736.db2.gz UWRFIFQLNHZXPQ-WMLDXEAASA-N 0 3 322.412 2.147 10 30 DEEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#CCO)cs1 ZINC000094441012 193369703 /nfs/dbraw/zinc/36/97/03/193369703.db2.gz PVYFUMJLNADQHP-GDBMZVCRSA-N 0 3 304.459 2.151 10 30 DEEEHN COc1ccc([C@@H](C#N)NCCN(C)C)cc1Br ZINC000038052245 182982669 /nfs/dbraw/zinc/98/26/69/182982669.db2.gz QDYRTKUESNNSDR-GFCCVEGCSA-N 0 3 312.211 2.174 10 30 DEEEHN CN[C@@H](C)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530100 183280834 /nfs/dbraw/zinc/28/08/34/183280834.db2.gz UWTALOZTKCDGAL-ZDUSSCGKSA-N 0 3 309.435 2.280 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)c1cc(Cl)c[nH]1 ZINC000042364738 183258885 /nfs/dbraw/zinc/25/88/85/183258885.db2.gz MZKXGIRKXLDYOO-UHFFFAOYSA-N 0 3 307.806 2.312 10 30 DEEEHN CCN(CCOc1ccc(C#CCN)cc1)CC(F)(F)F ZINC000042780002 183308610 /nfs/dbraw/zinc/30/86/10/183308610.db2.gz BBSNWHMIOKGNIN-UHFFFAOYSA-N 0 3 300.324 2.260 10 30 DEEEHN Cc1cc(C(=O)N2CCSC(C)(C)C2)sc1C#CCN ZINC000159026887 197319885 /nfs/dbraw/zinc/31/98/85/197319885.db2.gz DBNPJKYDYIXLHK-UHFFFAOYSA-N 0 3 308.472 2.334 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2ccc(C)c(C#CCN)c2)CCS1 ZINC000157980773 197231913 /nfs/dbraw/zinc/23/19/13/197231913.db2.gz AILIJVXXEVPCBX-MRXNPFEDSA-N 0 3 302.443 2.273 10 30 DEEEHN NCC#Cc1ccc(F)c(C(=O)NC[C@H]2CCCCS2)c1 ZINC000156568129 197124077 /nfs/dbraw/zinc/12/40/77/197124077.db2.gz VNYANNPSNYFJAQ-CYBMUJFWSA-N 0 3 306.406 2.151 10 30 DEEEHN N#Cc1cccc(CN2CC[C@@H]3[C@H]2CCN3c2ncccn2)c1 ZINC000503720920 257208624 /nfs/dbraw/zinc/20/86/24/257208624.db2.gz XQKSLYCJCSEQCJ-IAGOWNOFSA-N 0 3 305.385 2.201 10 30 DEEEHN C[C@H]1CN(C2CCN(Cc3ccc(C#N)s3)CC2)CCO1 ZINC000121776120 195345310 /nfs/dbraw/zinc/34/53/10/195345310.db2.gz RMYIURULGAUFGO-ZDUSSCGKSA-N 0 3 305.447 2.305 10 30 DEEEHN CN(C)CCOc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000192779157 145078850 /nfs/dbraw/zinc/07/88/50/145078850.db2.gz WPGOZWYEYYBLQG-UHFFFAOYSA-N 0 3 310.357 2.146 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247303405 145132542 /nfs/dbraw/zinc/13/25/42/145132542.db2.gz HBLSATPLBSKVOD-YCPHGPKFSA-N 0 3 315.417 2.124 10 30 DEEEHN N#Cc1ccc([C@H](O)CN2CCCN(c3ccccn3)CC2)cc1 ZINC000248866108 145170491 /nfs/dbraw/zinc/17/04/91/145170491.db2.gz HUPVGNQFURATKZ-GOSISDBHSA-N 0 3 322.412 2.199 10 30 DEEEHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)CN1CCOCC1 ZINC000358571219 147158546 /nfs/dbraw/zinc/15/85/46/147158546.db2.gz OVLYQPFYNGSDFG-ZIAGYGMSSA-N 0 3 305.397 2.316 10 30 DEEEHN CN(C)C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000128253619 401768769 /nfs/dbraw/zinc/76/87/69/401768769.db2.gz BNUHSZOZKWRDHO-GOSISDBHSA-N 0 3 317.433 2.132 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000079212963 401871362 /nfs/dbraw/zinc/87/13/62/401871362.db2.gz MBLCXFBXYKUWPP-INIZCTEOSA-N 0 3 302.422 2.334 10 30 DEEEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370426 401866111 /nfs/dbraw/zinc/86/61/11/401866111.db2.gz HTXQHSOXUGJFGN-PBHICJAKSA-N 0 3 315.417 2.016 10 30 DEEEHN COCCN1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000118017229 401889027 /nfs/dbraw/zinc/88/90/27/401889027.db2.gz KZFUJIGPLLAUEK-HNNXBMFYSA-N 0 3 316.405 2.099 10 30 DEEEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)O1 ZINC000151036946 402011990 /nfs/dbraw/zinc/01/19/90/402011990.db2.gz MQWPPTDOVGIOOV-PBHICJAKSA-N 0 3 315.417 2.016 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCC(C)CC1 ZINC000054779918 402070958 /nfs/dbraw/zinc/07/09/58/402070958.db2.gz BXBXMJQFJDWOAL-HNNXBMFYSA-N 0 3 315.417 2.174 10 30 DEEEHN C=CCCCN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176629081 402324623 /nfs/dbraw/zinc/32/46/23/402324623.db2.gz DLIZOSZPOFSDEI-UHFFFAOYSA-N 0 3 311.470 2.483 10 30 DEEEHN N#Cc1ccccc1-c1ccc(CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184731579 402296187 /nfs/dbraw/zinc/29/61/87/402296187.db2.gz VRKZVHFAGNBVLQ-QZTJIDSGSA-N 0 3 308.381 2.153 10 30 DEEEHN CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1C[C@@H](C)O ZINC000177130470 402372847 /nfs/dbraw/zinc/37/28/47/402372847.db2.gz XHHXQWONFXXPOY-QAPCUYQASA-N 0 3 320.864 2.469 10 30 DEEEHN Clc1ccc(C#CCN2CCN(C3CCOCC3)CC2)cc1 ZINC000177365916 402395139 /nfs/dbraw/zinc/39/51/39/402395139.db2.gz PSZWKKFHXOZFNS-UHFFFAOYSA-N 0 3 318.848 2.488 10 30 DEEEHN N#Cc1ccc2ncc(CNCCCNc3ccccn3)n2c1 ZINC000177589390 402418594 /nfs/dbraw/zinc/41/85/94/402418594.db2.gz YQMLARKFTWJYAO-UHFFFAOYSA-N 0 3 306.373 2.193 10 30 DEEEHN CC(C)c1nnc2n1C[C@H](NCc1cc(C#N)cs1)CC2 ZINC000177693570 402427326 /nfs/dbraw/zinc/42/73/26/402427326.db2.gz LOJHBJAZDZMNOE-GFCCVEGCSA-N 0 3 301.419 2.439 10 30 DEEEHN C=CC[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000189641106 402549344 /nfs/dbraw/zinc/54/93/44/402549344.db2.gz MOECVMFBWHZRLK-SJORKVTESA-N 0 3 302.418 2.135 10 30 DEEEHN C[C@H](O)CN1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000246387448 402528499 /nfs/dbraw/zinc/52/84/99/402528499.db2.gz IUGOTUYUFUXSGY-GJZGRUSLSA-N 0 3 306.837 2.078 10 30 DEEEHN CN(C)[C@H]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000170874789 402536568 /nfs/dbraw/zinc/53/65/68/402536568.db2.gz CQGGAGLUJZJEKZ-ZDUSSCGKSA-N 0 3 303.410 2.283 10 30 DEEEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCCCC#N ZINC000171429925 402587027 /nfs/dbraw/zinc/58/70/27/402587027.db2.gz OUPHOKRWGKAVAC-MRXNPFEDSA-N 0 3 302.422 2.152 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171777567 402621262 /nfs/dbraw/zinc/62/12/62/402621262.db2.gz HPDPJDNBORYUOP-MRXNPFEDSA-N 0 3 315.417 2.241 10 30 DEEEHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000192971805 402759022 /nfs/dbraw/zinc/75/90/22/402759022.db2.gz WMXPIEQFJNVKRZ-UHFFFAOYSA-N 0 3 308.385 2.157 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000184236989 402829343 /nfs/dbraw/zinc/82/93/43/402829343.db2.gz HRIOZLOHXYGUMQ-IAGOWNOFSA-N 0 3 307.482 2.217 10 30 DEEEHN C=CC[C@H](CO)NCc1ccc(Br)cc1OC ZINC000184288180 402833060 /nfs/dbraw/zinc/83/30/60/402833060.db2.gz XBGQKADSUGJJQI-GFCCVEGCSA-N 0 3 300.196 2.484 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1cn[nH]c1)C(C)C ZINC000270348168 403182509 /nfs/dbraw/zinc/18/25/09/403182509.db2.gz VTJLERFNENIETK-HOCLYGCPSA-N 0 3 319.453 2.469 10 30 DEEEHN C=CCOc1cccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284209198 403254234 /nfs/dbraw/zinc/25/42/34/403254234.db2.gz ZKCGMJSVSAXKFP-WBVHZDCISA-N 0 3 307.434 2.499 10 30 DEEEHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C2)cc1OC ZINC000271089611 403262680 /nfs/dbraw/zinc/26/26/80/403262680.db2.gz KNALMOWXFKLDMC-CQSZACIVSA-N 0 3 305.374 2.255 10 30 DEEEHN CC#CCCCC(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000343719898 403706721 /nfs/dbraw/zinc/70/67/21/403706721.db2.gz GENDKUAFGVQQRI-KRWDZBQOSA-N 0 3 306.450 2.283 10 30 DEEEHN CS[C@@H](C)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328629180 404120212 /nfs/dbraw/zinc/12/02/12/404120212.db2.gz OOQJEBSAWOBCPD-QEJZJMRPSA-N 0 3 322.478 2.330 10 30 DEEEHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329245309 404278225 /nfs/dbraw/zinc/27/82/25/404278225.db2.gz AEUHKJWNEQYVAP-HZUKXOBISA-N 0 3 320.437 2.162 10 30 DEEEHN C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000351076531 404510838 /nfs/dbraw/zinc/51/08/38/404510838.db2.gz STHCRCNDSVXQMP-OAHLLOKOSA-N 0 3 313.405 2.397 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000367866907 405179598 /nfs/dbraw/zinc/17/95/98/405179598.db2.gz WADPQFYODGXIBK-QGZVFWFLSA-N 0 3 311.429 2.111 10 30 DEEEHN C=CCN1CCC(NC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000454532417 405359500 /nfs/dbraw/zinc/35/95/00/405359500.db2.gz CDRXKLYXSGJDOQ-NVXWUHKLSA-N 0 3 323.481 2.387 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000425879442 405326311 /nfs/dbraw/zinc/32/63/11/405326311.db2.gz QRDHRUKXGMZFHX-VYDXJSESSA-N 0 3 321.465 2.093 10 30 DEEEHN Cn1c(C#N)ccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000448647801 405431913 /nfs/dbraw/zinc/43/19/13/405431913.db2.gz JXLABJCANOFZIZ-QGZVFWFLSA-N 0 3 322.412 2.464 10 30 DEEEHN C=CCC[C@H](CO)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000458591709 405502955 /nfs/dbraw/zinc/50/29/55/405502955.db2.gz SNBMHTPTYNVVJW-IKGGRYGDSA-N 0 3 317.433 2.058 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCNC(=O)CC1 ZINC000450296259 405821249 /nfs/dbraw/zinc/82/12/49/405821249.db2.gz CGVJGCNWMQBXJZ-AWEZNQCLSA-N 0 3 317.389 2.499 10 30 DEEEHN C=CCN(CCc1ccccc1)C[C@H](O)CC1(O)CCOCC1 ZINC000639461837 406098082 /nfs/dbraw/zinc/09/80/82/406098082.db2.gz WUHFOKFMVHAWEH-GOSISDBHSA-N 0 3 319.445 2.010 10 30 DEEEHN C=CCOc1ccc(CNC2(CC(=O)OC)CC2)cc1OC ZINC000563255583 406059473 /nfs/dbraw/zinc/05/94/73/406059473.db2.gz LPEUNRGIVHBPDP-UHFFFAOYSA-N 0 3 305.374 2.445 10 30 DEEEHN C=CCN(CC=C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637669416 406384604 /nfs/dbraw/zinc/38/46/04/406384604.db2.gz IIPAFYLKVULAMR-UHFFFAOYSA-N 0 3 303.410 2.356 10 30 DEEEHN CC(C)N(CCC#N)C(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129086208 196018273 /nfs/dbraw/zinc/01/82/73/196018273.db2.gz DSBGURCVKQEUNE-UHFFFAOYSA-N 0 3 303.793 2.414 10 30 DEEEHN CN1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC000179270132 277136254 /nfs/dbraw/zinc/13/62/54/277136254.db2.gz JJORSDMWRGGXHG-SJORKVTESA-N 0 3 312.417 2.377 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(N)=O ZINC000285208027 277696783 /nfs/dbraw/zinc/69/67/83/277696783.db2.gz TXJJGCQHYNEBIN-OALUTQOASA-N 0 3 306.409 2.307 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]2(C)Br)CC1 ZINC000528450437 332753947 /nfs/dbraw/zinc/75/39/47/332753947.db2.gz SGENSVLUEUWGPG-GXTWGEPZSA-N 0 3 315.255 2.317 10 30 DEEEHN C=CCOCCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000339030035 526770382 /nfs/dbraw/zinc/77/03/82/526770382.db2.gz SYPVQHFXFYCIOT-UHFFFAOYSA-N 0 3 314.429 2.490 10 30 DEEEHN C=CCOc1ccc(CN2CCNC[C@H]2c2nccn2C)cc1 ZINC000262025251 526869835 /nfs/dbraw/zinc/86/98/35/526869835.db2.gz NLZAUDMRKWHZEG-KRWDZBQOSA-N 0 3 312.417 2.131 10 30 DEEEHN C=CC[C@H](CC)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000341374592 527148267 /nfs/dbraw/zinc/14/82/67/527148267.db2.gz MDJSJIOZHHXHTB-AWEZNQCLSA-N 0 3 318.421 2.277 10 30 DEEEHN CCC[C@H]1CN(CC#Cc2ccccc2)CCN1CCOC ZINC000192140302 528400466 /nfs/dbraw/zinc/40/04/66/528400466.db2.gz YCCYBYDSFCWEAI-IBGZPJMESA-N 0 3 300.446 2.471 10 30 DEEEHN CCN1CCN([C@H](C)CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358573103 535740510 /nfs/dbraw/zinc/74/05/10/535740510.db2.gz QRHUFVHCXOYVOU-HUUCEWRRSA-N 0 3 318.440 2.374 10 30 DEEEHN C=C(Br)CN[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186321029 637634853 /nfs/dbraw/zinc/63/48/53/637634853.db2.gz UFFVIGDKAHEREP-VXGBXAGGSA-N 0 3 304.228 2.459 10 30 DEEEHN C#CCC(CC#C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000807678627 645976236 /nfs/dbraw/zinc/97/62/36/645976236.db2.gz CFBBNRXUBJUUCC-ZBFHGGJFSA-N 0 3 300.402 2.488 10 30 DEEEHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1OCC#N ZINC000194160496 685059612 /nfs/dbraw/zinc/05/96/12/685059612.db2.gz ICTFMNUERSNVGZ-AWEZNQCLSA-N 0 3 301.390 2.193 10 30 DEEEHN CSCC[C@H](C)N(C)C(=O)c1ccc(C#CCN)c(F)c1 ZINC000162077708 197542763 /nfs/dbraw/zinc/54/27/63/197542763.db2.gz PZQYBCWKWKPGAE-LBPRGKRZSA-N 0 3 308.422 2.350 10 30 DEEEHN C#CCNC(=O)[C@H](C)Oc1c(Cl)cccc1CNC1CC1 ZINC000165405623 197674946 /nfs/dbraw/zinc/67/49/46/197674946.db2.gz LTOBJLPFBLBBJS-NSHDSACASA-N 0 3 306.793 2.109 10 30 DEEEHN C[C@@H]1CN(C(=O)c2cc(C#CCN)ccc2F)C[C@@H](C)S1 ZINC000070388864 190884068 /nfs/dbraw/zinc/88/40/68/190884068.db2.gz MRSBWVLKTRRQIZ-VXGBXAGGSA-N 0 3 306.406 2.102 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)c(C#CCN)c1 ZINC000133673475 186005176 /nfs/dbraw/zinc/00/51/76/186005176.db2.gz MZSFCJKNHOWNPS-KGLIPLIRSA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1cc(C(=O)N2CCS[C@@H](C)[C@H]2C)ccc1C#CCN ZINC000133668605 186005245 /nfs/dbraw/zinc/00/52/45/186005245.db2.gz DYKFAWZBLLKSOF-KGLIPLIRSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CCN(CCC)S(=O)(=O)c1cc(CNC)cc(F)c1F ZINC000139259485 186020705 /nfs/dbraw/zinc/02/07/05/186020705.db2.gz CPGMSGGSUMWNFV-UHFFFAOYSA-N 0 3 318.389 2.271 10 30 DEEEHN Cc1ccc(C#CCN)c(NS(=O)(=O)C2CCCCC2)c1 ZINC000164268073 186154148 /nfs/dbraw/zinc/15/41/48/186154148.db2.gz IJQUUROPFLLXLZ-UHFFFAOYSA-N 0 3 306.431 2.380 10 30 DEEEHN N#Cc1ccccc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000172804817 198152058 /nfs/dbraw/zinc/15/20/58/198152058.db2.gz XSYRZYTZAHXWDY-MRXNPFEDSA-N 0 3 312.417 2.057 10 30 DEEEHN C=CCN1CCC(NC(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000292073770 222822816 /nfs/dbraw/zinc/82/28/16/222822816.db2.gz OXVIBMKFBNVXFE-UHFFFAOYSA-N 0 3 303.410 2.069 10 30 DEEEHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000173905170 198267570 /nfs/dbraw/zinc/26/75/70/198267570.db2.gz GUNBUBCEOQVLHD-CYBMUJFWSA-N 0 3 305.353 2.006 10 30 DEEEHN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000626843496 366343879 /nfs/dbraw/zinc/34/38/79/366343879.db2.gz QCXKSTAEBOETQG-UHFFFAOYSA-N 0 3 303.406 2.063 10 30 DEEEHN C=CCC[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1ccccc1 ZINC000581061733 357123965 /nfs/dbraw/zinc/12/39/65/357123965.db2.gz RXEMZAPXPWRZQG-MRXNPFEDSA-N 0 3 315.417 2.078 10 30 DEEEHN COc1ccc(CN2CCC[C@@H](CC(N)=O)CC2)cc1C#N ZINC000585789576 357356819 /nfs/dbraw/zinc/35/68/19/357356819.db2.gz UIXNXRYGLREROU-CYBMUJFWSA-N 0 3 301.390 2.044 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC000593094845 358008428 /nfs/dbraw/zinc/00/84/28/358008428.db2.gz IOAJSLSTFDBLCM-UONOGXRCSA-N 0 3 315.417 2.049 10 30 DEEEHN C=CC[C@@H](CO)NCc1cc(Br)cc2c1OCC2 ZINC000185063273 199804672 /nfs/dbraw/zinc/80/46/72/199804672.db2.gz GENFZQGEXRZAIT-ZDUSSCGKSA-N 0 3 312.207 2.411 10 30 DEEEHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(=O)OCC)n1 ZINC000600153460 359666971 /nfs/dbraw/zinc/66/69/71/359666971.db2.gz MGMYAIFAZRWXRH-CZUORRHYSA-N 0 3 304.390 2.329 10 30 DEEEHN NCC#Cc1cnccc1C(=O)Nc1cc(Cl)ccc1F ZINC000091461499 193059440 /nfs/dbraw/zinc/05/94/40/193059440.db2.gz RQOVPVKFIKIOOZ-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CCN2C2CCCCC2)C1=O ZINC000630986006 367951865 /nfs/dbraw/zinc/95/18/65/367951865.db2.gz MFLSEMRBSSPIRF-GJZGRUSLSA-N 0 3 305.422 2.280 10 30 DEEEHN C=C1CC(C)(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)C1 ZINC000631782539 368384809 /nfs/dbraw/zinc/38/48/09/368384809.db2.gz PYSYSDBXPQTTLI-INIZCTEOSA-N 0 3 306.450 2.446 10 30 DEEEHN NCC#Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000093976648 193332984 /nfs/dbraw/zinc/33/29/84/193332984.db2.gz WFEDCGROYLQFFA-LLVKDONJSA-N 0 3 316.348 2.473 10 30 DEEEHN C#CCNC(=O)COc1ccc(Cl)cc1CNC(C)(C)C ZINC000062730815 184251400 /nfs/dbraw/zinc/25/14/00/184251400.db2.gz LVVWBNRPSQWPKT-UHFFFAOYSA-N 0 3 308.809 2.356 10 30 DEEEHN CN(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000536021697 284930011 /nfs/dbraw/zinc/93/00/11/284930011.db2.gz JSGPYFDPZIYGFX-LJQANCHMSA-N 0 3 321.424 2.390 10 30 DEEEHN C[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(C#CCN)cc1 ZINC000156279522 197100806 /nfs/dbraw/zinc/10/08/06/197100806.db2.gz MOTVREKMYQCMNT-CJNGLKHVSA-N 0 3 302.443 2.460 10 30 DEEEHN N#Cc1ccc2ncc(CN3CCN(C4CCCC4)CC3)n2c1 ZINC000126967000 401715047 /nfs/dbraw/zinc/71/50/47/401715047.db2.gz OIWDNCCZZLHPTQ-UHFFFAOYSA-N 0 3 309.417 2.266 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000076734414 401799380 /nfs/dbraw/zinc/79/93/80/401799380.db2.gz QTASABHCAWEYGJ-HUUCEWRRSA-N 0 3 318.417 2.229 10 30 DEEEHN C#CCOc1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128543882 401782050 /nfs/dbraw/zinc/78/20/50/401782050.db2.gz WACNJFVTRFPKIY-MRXNPFEDSA-N 0 3 310.401 2.202 10 30 DEEEHN CCc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)N(C)C)cc1 ZINC000081570570 401897746 /nfs/dbraw/zinc/89/77/46/401897746.db2.gz VVNWQQUDZSXPET-GOSISDBHSA-N 0 3 324.428 2.492 10 30 DEEEHN C=CCOc1cccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000118811324 401908923 /nfs/dbraw/zinc/90/89/23/401908923.db2.gz CQASYTOVUIKCOI-INIZCTEOSA-N 0 3 319.405 2.046 10 30 DEEEHN CCN1CCC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000052594107 402044276 /nfs/dbraw/zinc/04/42/76/402044276.db2.gz KAHIANOFVGIINQ-INIZCTEOSA-N 0 3 300.406 2.184 10 30 DEEEHN C#CCCOc1ccc(CN2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000123236850 402117747 /nfs/dbraw/zinc/11/77/47/402117747.db2.gz PQFVKCFDJOOKGZ-MRXNPFEDSA-N 0 3 301.386 2.474 10 30 DEEEHN N#Cc1ccc2ncc(CNCCc3ccc([N+](=O)[O-])cc3)n2c1 ZINC000123633662 402138963 /nfs/dbraw/zinc/13/89/63/402138963.db2.gz LJDFHCIBJQSJSM-UHFFFAOYSA-N 0 3 321.340 2.446 10 30 DEEEHN CN(C)[C@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160708643 402358127 /nfs/dbraw/zinc/35/81/27/402358127.db2.gz UBLAGVBSSQUNHE-JKSUJKDBSA-N 0 3 300.406 2.377 10 30 DEEEHN C=CC[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000189641126 402549329 /nfs/dbraw/zinc/54/93/29/402549329.db2.gz MOECVMFBWHZRLK-IRXDYDNUSA-N 0 3 302.418 2.135 10 30 DEEEHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1CC(C)(C)O ZINC000189895371 402565645 /nfs/dbraw/zinc/56/56/45/402565645.db2.gz DTTDAWRFXZGEBG-HNNXBMFYSA-N 0 3 320.864 2.469 10 30 DEEEHN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000188300271 402518847 /nfs/dbraw/zinc/51/88/47/402518847.db2.gz RAYLKAJVWIJTLF-CZUORRHYSA-N 0 3 309.413 2.331 10 30 DEEEHN C#CCOC[C@H](O)CN(Cc1ccc(C)s1)C[C@H]1CCCO1 ZINC000248134160 402583551 /nfs/dbraw/zinc/58/35/51/402583551.db2.gz ZSQHDMSYINSOHY-HZPDHXFCSA-N 0 3 323.458 2.048 10 30 DEEEHN N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCCSC3)C2=O)cc1 ZINC000190614578 402613846 /nfs/dbraw/zinc/61/38/46/402613846.db2.gz QIBZBMHKCLBSAV-JKSUJKDBSA-N 0 3 315.442 2.144 10 30 DEEEHN C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000272968824 402962129 /nfs/dbraw/zinc/96/21/29/402962129.db2.gz RHXYJZOCGTUZTE-UHFFFAOYSA-N 0 3 303.811 2.044 10 30 DEEEHN N#Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2n1 ZINC000301539092 403644232 /nfs/dbraw/zinc/64/42/32/403644232.db2.gz JLIUDNNYOUMIDE-HNNXBMFYSA-N 0 3 322.412 2.265 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000343869287 403769026 /nfs/dbraw/zinc/76/90/26/403769026.db2.gz TWQQUHYSQBSONA-VQIMIIECSA-N 0 3 316.445 2.342 10 30 DEEEHN C=CCOCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000354814807 404031136 /nfs/dbraw/zinc/03/11/36/404031136.db2.gz QPQAGIKIXVRFAL-KRWDZBQOSA-N 0 3 302.418 2.360 10 30 DEEEHN Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000329508074 404360376 /nfs/dbraw/zinc/36/03/76/404360376.db2.gz AWQAXIRJAFFJCZ-DOMZBBRYSA-N 0 3 319.453 2.184 10 30 DEEEHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329516628 404363097 /nfs/dbraw/zinc/36/30/97/404363097.db2.gz MUYKKYMYKPELAM-ZJIFWQFVSA-N 0 3 310.438 2.259 10 30 DEEEHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CCO)CC1CC1 ZINC000352458478 404383785 /nfs/dbraw/zinc/38/37/85/404383785.db2.gz KZDVVWWCAYNXGS-CQSZACIVSA-N 0 3 322.474 2.356 10 30 DEEEHN C=CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000351076243 404510557 /nfs/dbraw/zinc/51/05/57/404510557.db2.gz SBUHTWUKWBBTLP-AWEZNQCLSA-N 0 3 312.421 2.132 10 30 DEEEHN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357276961 404731920 /nfs/dbraw/zinc/73/19/20/404731920.db2.gz SGUVORSVKAWDNB-ZMSDIMECSA-N 0 3 319.449 2.222 10 30 DEEEHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCOCC1 ZINC000424852715 405196746 /nfs/dbraw/zinc/19/67/46/405196746.db2.gz OVDFYAQKSMSWEH-OAHLLOKOSA-N 0 3 306.450 2.302 10 30 DEEEHN CN(CCCNC(=O)c1ccc(C#N)n1C)Cc1ccccc1 ZINC000448606086 405426555 /nfs/dbraw/zinc/42/65/55/405426555.db2.gz SUJJUJCFTPIJOU-UHFFFAOYSA-N 0 3 310.401 2.149 10 30 DEEEHN C=CCN1CCC(NC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000454532416 405359605 /nfs/dbraw/zinc/35/96/05/405359605.db2.gz CDRXKLYXSGJDOQ-DOTOQJQBSA-N 0 3 323.481 2.387 10 30 DEEEHN C[C@H](CNC(=O)c1ccc(C#N)n1C)N(C)Cc1ccccc1 ZINC000448953101 405470601 /nfs/dbraw/zinc/47/06/01/405470601.db2.gz GWPUCSYSPAYXLC-CQSZACIVSA-N 0 3 310.401 2.147 10 30 DEEEHN C=CCc1cc(CN2CCNC[C@H]2C(F)F)cc(OC)c1O ZINC000580563841 405645875 /nfs/dbraw/zinc/64/58/75/405645875.db2.gz DYBYELJLHPJSCK-ZDUSSCGKSA-N 0 3 312.360 2.168 10 30 DEEEHN C=CC[C@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000636885608 406113319 /nfs/dbraw/zinc/11/33/19/406113319.db2.gz YTIXCEQEDPYGRT-INIZCTEOSA-N 0 3 323.481 2.483 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000633040082 406360571 /nfs/dbraw/zinc/36/05/71/406360571.db2.gz GLPPHPOBVUJEHA-SJORKVTESA-N 0 3 321.465 2.284 10 30 DEEEHN N#CCCN(C(=O)c1ccc(C#CCN)c(Cl)c1)C1CC1 ZINC000129086685 196018416 /nfs/dbraw/zinc/01/84/16/196018416.db2.gz FOLPKUDSFMYWIJ-UHFFFAOYSA-N 0 3 301.777 2.168 10 30 DEEEHN CCN(C(=O)c1ccc(C#CCN)c(Cl)c1)[C@H](C)COC ZINC000129092210 196018445 /nfs/dbraw/zinc/01/84/45/196018445.db2.gz XIAONKHRUKCEON-GFCCVEGCSA-N 0 3 308.809 2.147 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCCc2cscn2)cc1Cl ZINC000129156701 196025102 /nfs/dbraw/zinc/02/51/02/196025102.db2.gz KKAKCNODFHYVAE-UHFFFAOYSA-N 0 3 319.817 2.079 10 30 DEEEHN CC[C@H](CSC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000132617160 196270548 /nfs/dbraw/zinc/27/05/48/196270548.db2.gz XUFHNDORVBGAMA-CYBMUJFWSA-N 0 3 312.460 2.063 10 30 DEEEHN C[C@H](C[C@H]1COCCN1)Nc1ccc(Br)cc1C#N ZINC000134162448 196366964 /nfs/dbraw/zinc/36/69/64/196366964.db2.gz KEHSIVUUHBAJGC-MFKMUULPSA-N 0 3 324.222 2.500 10 30 DEEEHN C=CCCCN(C)S(=O)(=O)c1ccc(Cl)c(CN)c1 ZINC000136052816 196517811 /nfs/dbraw/zinc/51/78/11/196517811.db2.gz DZWGWLPIDBHWRX-UHFFFAOYSA-N 0 3 302.827 2.385 10 30 DEEEHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1C ZINC000195149705 424880804 /nfs/dbraw/zinc/88/08/04/424880804.db2.gz BWBWTBHBTXOXIY-UHFFFAOYSA-N 0 3 324.428 2.409 10 30 DEEEHN CCN1CCC[C@H](NC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000328731589 424901417 /nfs/dbraw/zinc/90/14/17/424901417.db2.gz WZHZRPJCZLHTQU-HNNXBMFYSA-N 0 3 302.422 2.692 10 30 DEEEHN CN1CCC[C@H](CNc2cc(C#N)ncn2)[C@H]1c1cccs1 ZINC000584328953 424989484 /nfs/dbraw/zinc/98/94/84/424989484.db2.gz YVBPLSLQLOFKKP-WBMJQRKESA-N 0 3 313.430 2.905 10 30 DEEEHN C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328617590 274310218 /nfs/dbraw/zinc/31/02/18/274310218.db2.gz CWDBMHONGHIPJS-OEAJRASXSA-N 0 3 303.406 2.456 10 30 DEEEHN CC(C)CN(C(=O)c1ccc(C#N)n1C)C1CCN(C)CC1 ZINC000448976865 278822942 /nfs/dbraw/zinc/82/29/42/278822942.db2.gz PKDQEDFWUNXPLG-UHFFFAOYSA-N 0 3 302.422 2.089 10 30 DEEEHN C=CCOC[C@H](O)CNCCOc1ccc2ccccc2c1 ZINC000584627867 337376250 /nfs/dbraw/zinc/37/62/50/337376250.db2.gz MZKXPNZNXFYZTE-QGZVFWFLSA-N 0 3 301.386 2.372 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368427599 526693917 /nfs/dbraw/zinc/69/39/17/526693917.db2.gz XKYXKTHROOEJNG-QGZVFWFLSA-N 0 3 321.509 2.465 10 30 DEEEHN C=CCOc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000361665405 526872074 /nfs/dbraw/zinc/87/20/74/526872074.db2.gz WRRZPFMPQVNROK-INIZCTEOSA-N 0 3 300.402 2.448 10 30 DEEEHN C=CCCCNC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000448393288 527217755 /nfs/dbraw/zinc/21/77/55/527217755.db2.gz YNOGSTGZFYJSEX-UHFFFAOYSA-N 0 3 322.497 2.153 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441280842 527634297 /nfs/dbraw/zinc/63/42/97/527634297.db2.gz DFPDKJZDESEYGB-ULQDDVLXSA-N 0 3 306.450 2.324 10 30 DEEEHN Cc1cccc(OCCCC(=O)C(C#N)C(=O)N2CCCC2)c1 ZINC000124687484 633409148 /nfs/dbraw/zinc/40/91/48/633409148.db2.gz NUONDKSKWVEKCD-MRXNPFEDSA-N 0 3 314.385 2.485 10 30 DEEEHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC000125153751 633514160 /nfs/dbraw/zinc/51/41/60/633514160.db2.gz ZCSIJWUCHOQWCS-INIZCTEOSA-N 0 3 316.401 2.179 10 30 DEEEHN CNC(=O)[C@@H](C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000747968305 638495720 /nfs/dbraw/zinc/49/57/20/638495720.db2.gz WTIGEHAEWPHQQY-NSHDSACASA-N 0 3 309.797 2.056 10 30 DEEEHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121547002 651004658 /nfs/dbraw/zinc/00/46/58/651004658.db2.gz XGLJPOPYJORBHL-NILFDRSVSA-N 0 3 300.358 2.464 10 30 DEEEHN N#CC(C(=O)CSCC(F)(F)F)C(=O)NC1CCCCC1 ZINC000156041920 646059615 /nfs/dbraw/zinc/05/96/15/646059615.db2.gz UZYIRZIMNQFYDV-SNVBAGLBSA-N 0 3 322.352 2.440 10 30 DEEEHN C=CCN(C)S(=O)(=O)c1cc(C)c(F)c(CNCC)c1 ZINC000162555373 197574175 /nfs/dbraw/zinc/57/41/75/197574175.db2.gz NDTLUVAWWOJAHX-UHFFFAOYSA-N 0 3 300.399 2.050 10 30 DEEEHN C=CCOCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000371636982 404468084 /nfs/dbraw/zinc/46/80/84/404468084.db2.gz FLWCASAXGQJWHG-QGZVFWFLSA-N 0 3 317.433 2.153 10 30 DEEEHN C=CCOc1ccc(CC(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000617549972 363176358 /nfs/dbraw/zinc/17/63/58/363176358.db2.gz CSRJAUVKSXAVLQ-INIZCTEOSA-N 0 3 302.418 2.347 10 30 DEEEHN C=CCN(C(=O)CCN1CCc2ccccc2C1)[C@H](C)COC ZINC000617582680 363196198 /nfs/dbraw/zinc/19/61/98/363196198.db2.gz RZWOQLFNMQOKIS-MRXNPFEDSA-N 0 3 316.445 2.484 10 30 DEEEHN COc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1C#N ZINC000174361221 198324153 /nfs/dbraw/zinc/32/41/53/198324153.db2.gz DNAQZHBYQJJOFW-INIZCTEOSA-N 0 3 323.400 2.115 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000057127654 354557289 /nfs/dbraw/zinc/55/72/89/354557289.db2.gz QHUQTCQESRSPNK-AWEZNQCLSA-N 0 3 300.402 2.218 10 30 DEEEHN C=CCOc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000093817331 355689183 /nfs/dbraw/zinc/68/91/83/355689183.db2.gz OPYHPCBXISCLIJ-GOSISDBHSA-N 0 3 316.445 2.406 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594232891 358228589 /nfs/dbraw/zinc/22/85/89/358228589.db2.gz XPLRGJBJTVMUEC-DYVFJYSZSA-N 0 3 312.417 2.312 10 30 DEEEHN CC(=O)N(C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594442920 358273053 /nfs/dbraw/zinc/27/30/53/358273053.db2.gz CXHPFOYVDHDPDY-OAHLLOKOSA-N 0 3 302.378 2.019 10 30 DEEEHN CC(=O)N1CC[C@@H](NC[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733495 359814278 /nfs/dbraw/zinc/81/42/78/359814278.db2.gz ZNLCVFXQENJBIR-GDBMZVCRSA-N 0 3 313.401 2.129 10 30 DEEEHN C=C(C)[C@@H](CC(=O)N1CCC(N2CCCOCC2)CC1)OCC ZINC000627740984 366608375 /nfs/dbraw/zinc/60/83/75/366608375.db2.gz MTIZMPFJVFYQKR-QGZVFWFLSA-N 0 3 324.465 2.071 10 30 DEEEHN C=CCNC(=O)NC(=O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000611395760 361591168 /nfs/dbraw/zinc/59/11/68/361591168.db2.gz SUQBFHGAUDFMCC-HNNXBMFYSA-N 0 3 301.390 2.129 10 30 DEEEHN C=CCOc1ccc(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)cc1OC ZINC000620906009 364197851 /nfs/dbraw/zinc/19/78/51/364197851.db2.gz LIWOVEBQDRAQME-DZGCQCFKSA-N 0 3 318.417 2.473 10 30 DEEEHN C=CCN1CCC(NC(=O)COCc2cccc(C)c2)CC1 ZINC000621858940 364563101 /nfs/dbraw/zinc/56/31/01/364563101.db2.gz LPWZRCFBKXGGBV-UHFFFAOYSA-N 0 3 302.418 2.278 10 30 DEEEHN C=CCCOCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623809371 365181101 /nfs/dbraw/zinc/18/11/01/365181101.db2.gz AHEAEQVRUAXJFF-MRXNPFEDSA-N 0 3 309.454 2.285 10 30 DEEEHN NCC#Cc1cccc(O[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094408531 193368110 /nfs/dbraw/zinc/36/81/10/193368110.db2.gz WFGXVHRLOXLTNJ-DLBZAZTESA-N 0 3 303.427 2.430 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)c1ccccc1F ZINC000042364922 183258987 /nfs/dbraw/zinc/25/89/87/183258987.db2.gz YEIAIPWNWVCMMV-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C#CCN)cc1 ZINC000042598209 183289777 /nfs/dbraw/zinc/28/97/77/183289777.db2.gz LCIZURFIGXZYLF-CQSZACIVSA-N 0 3 308.447 2.052 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1CCOC ZINC000120028851 195084174 /nfs/dbraw/zinc/08/41/74/195084174.db2.gz WVFYUTGTYUQVFV-INIZCTEOSA-N 0 3 305.397 2.240 10 30 DEEEHN Cc1cc(C(=O)N2CCSC(C)(C)C2)ccc1C#CCN ZINC000159027818 197320033 /nfs/dbraw/zinc/32/00/33/197320033.db2.gz SGBOPXWAMASJJE-UHFFFAOYSA-N 0 3 302.443 2.273 10 30 DEEEHN CC[C@H]1CN(C(=O)c2ccc(C#CCN)c(F)c2)CCS1 ZINC000157982121 197233109 /nfs/dbraw/zinc/23/31/09/197233109.db2.gz NTFDRXDBNFEZGO-AWEZNQCLSA-N 0 3 306.406 2.104 10 30 DEEEHN CN(Cc1ccccc1C#CCN)C(=O)[C@H]1CCCCS1 ZINC000156280014 197100746 /nfs/dbraw/zinc/10/07/46/197100746.db2.gz TZSGPVUZAXMBLP-MRXNPFEDSA-N 0 3 302.443 2.241 10 30 DEEEHN C[C@H](NCCN1CCOCC1(C)C)c1ccc(C#N)cc1F ZINC000358564885 147157438 /nfs/dbraw/zinc/15/74/38/147157438.db2.gz XXEAVAHSZXFVNG-ZDUSSCGKSA-N 0 3 305.397 2.459 10 30 DEEEHN C=CCCCN(C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000076737692 401799730 /nfs/dbraw/zinc/79/97/30/401799730.db2.gz RQEHTMNDCORGDW-UHFFFAOYSA-N 0 3 318.377 2.010 10 30 DEEEHN N#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128673930 401787484 /nfs/dbraw/zinc/78/74/84/401787484.db2.gz XOEPLQLSZDEDSC-SJORKVTESA-N 0 3 323.400 2.467 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115443353 401828317 /nfs/dbraw/zinc/82/83/17/401828317.db2.gz PVTYBLXAESPGGX-HUUCEWRRSA-N 0 3 315.417 2.126 10 30 DEEEHN Cc1ccc(OCCN(C)CCC(=O)N(C)CCC#N)cc1 ZINC000131000633 401842306 /nfs/dbraw/zinc/84/23/06/401842306.db2.gz PRWITJQHMZOUCI-UHFFFAOYSA-N 0 3 303.406 2.068 10 30 DEEEHN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000329904375 404490105 /nfs/dbraw/zinc/49/01/05/404490105.db2.gz QZGZXAFJKYOTOF-QWHCGFSZSA-N 0 3 313.467 2.127 10 30 DEEEHN CC(C)N1C[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000155579247 402261682 /nfs/dbraw/zinc/26/16/82/402261682.db2.gz YIUMOACQUBHIBY-BBRMVZONSA-N 0 3 317.458 2.495 10 30 DEEEHN C=CCOc1cccc(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380858 402213106 /nfs/dbraw/zinc/21/31/06/402213106.db2.gz PQPQPCHXUCEZGX-GOSISDBHSA-N 0 3 302.418 2.204 10 30 DEEEHN CC(C)c1nnc2n1C[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000176959502 402354767 /nfs/dbraw/zinc/35/47/67/402354767.db2.gz MOAVNCNKPYJSLK-NSHDSACASA-N 0 3 301.419 2.439 10 30 DEEEHN N#Cc1cnc(NC2CCN(CCc3ccccc3)CC2)cn1 ZINC000185173634 402330797 /nfs/dbraw/zinc/33/07/97/402330797.db2.gz UNBOAVWKRMARAS-UHFFFAOYSA-N 0 3 307.401 2.467 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C#N)cc1 ZINC000177371690 402395666 /nfs/dbraw/zinc/39/56/66/402395666.db2.gz CJIKYBWNVIMNDW-MRXNPFEDSA-N 0 3 300.406 2.184 10 30 DEEEHN C=CCc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc(OC)c1OC ZINC000170857384 402533579 /nfs/dbraw/zinc/53/35/79/402533579.db2.gz YALZIEHNUVLIBC-HNNXBMFYSA-N 0 3 318.417 2.208 10 30 DEEEHN C#CCSCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179176214 402578379 /nfs/dbraw/zinc/57/83/79/402578379.db2.gz ZLFWVORUZKHSKZ-HOTGVXAUSA-N 0 3 317.458 2.097 10 30 DEEEHN C#CCOc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000172114250 402641020 /nfs/dbraw/zinc/64/10/20/402641020.db2.gz WTKKPDJEJPWPFA-QGZVFWFLSA-N 0 3 322.412 2.247 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000182832761 402720293 /nfs/dbraw/zinc/72/02/93/402720293.db2.gz QPEOYFAHFWDSHW-DLBZAZTESA-N 0 3 319.449 2.306 10 30 DEEEHN COc1ccc(CNCc2cccnc2-n2ccnc2)cc1C#N ZINC000174263884 402734408 /nfs/dbraw/zinc/73/44/08/402734408.db2.gz DBYWATWOZDHGEC-UHFFFAOYSA-N 0 3 319.368 2.437 10 30 DEEEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CCN1C ZINC000174767770 402756169 /nfs/dbraw/zinc/75/61/69/402756169.db2.gz CYAGTFXVFTTXSR-DOMZBBRYSA-N 0 3 318.396 2.321 10 30 DEEEHN CN1CCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000194697497 402811154 /nfs/dbraw/zinc/81/11/54/402811154.db2.gz PXDREIKXRGDXBZ-HNNXBMFYSA-N 0 3 303.431 2.002 10 30 DEEEHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2ccn[nH]2)CC1 ZINC000195506441 402848006 /nfs/dbraw/zinc/84/80/06/402848006.db2.gz ORCUASSKZRWQNK-CYBMUJFWSA-N 0 3 323.400 2.488 10 30 DEEEHN C=C(C)CCN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000274816189 403091090 /nfs/dbraw/zinc/09/10/90/403091090.db2.gz WTARWIDCNNLGFO-AWEZNQCLSA-N 0 3 308.426 2.251 10 30 DEEEHN C=CCOc1cccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284209194 403254244 /nfs/dbraw/zinc/25/42/44/403254244.db2.gz ZKCGMJSVSAXKFP-NVXWUHKLSA-N 0 3 307.434 2.499 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC)CC1 ZINC000286773698 403544755 /nfs/dbraw/zinc/54/47/55/403544755.db2.gz SYMZNWPELARWTK-GOSISDBHSA-N 0 3 313.445 2.405 10 30 DEEEHN C=CCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000347254489 403638790 /nfs/dbraw/zinc/63/87/90/403638790.db2.gz IBTGXKDSXMEPIT-UAGQMJEPSA-N 0 3 300.402 2.337 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000288055594 403716544 /nfs/dbraw/zinc/71/65/44/403716544.db2.gz FLQMNWVAHXVZRG-ZWKOTPCHSA-N 0 3 313.445 2.357 10 30 DEEEHN C=CCOc1ccc(CN[C@]2(CC(=O)OC)CCOC2)cc1 ZINC000361740800 403835914 /nfs/dbraw/zinc/83/59/14/403835914.db2.gz LWEQJIBWGGERLM-KRWDZBQOSA-N 0 3 305.374 2.063 10 30 DEEEHN C=CC[C@H](CO)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000347746106 403840940 /nfs/dbraw/zinc/84/09/40/403840940.db2.gz DUBPYUISXCKLPK-USXIJHARSA-N 0 3 317.433 2.058 10 30 DEEEHN N#CC(C(=O)Nc1cccc(Br)c1)c1ccncn1 ZINC000362935497 404012636 /nfs/dbraw/zinc/01/26/36/404012636.db2.gz PLOZLJFODWBXAX-NSHDSACASA-N 0 3 317.146 2.485 10 30 DEEEHN CC(=O)Nc1ccn([C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)n1 ZINC000328626160 404116931 /nfs/dbraw/zinc/11/69/31/404116931.db2.gz LKVRMAGNXILXNT-HZPDHXFCSA-N 0 3 314.389 2.471 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)CCN1CCc2ccccc2C1 ZINC000416246996 405072504 /nfs/dbraw/zinc/07/25/04/405072504.db2.gz OBDWJJCOYLOUJF-MSOLQXFVSA-N 0 3 314.429 2.285 10 30 DEEEHN CCc1ccc([C@H](CNC(=O)c2ccc(C#N)n2C)N(C)C)cc1 ZINC000448608335 405427147 /nfs/dbraw/zinc/42/71/47/405427147.db2.gz VVILCBLPLJFROJ-SFHVURJKSA-N 0 3 324.428 2.492 10 30 DEEEHN C=CCOCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000494183700 405658584 /nfs/dbraw/zinc/65/85/84/405658584.db2.gz VEKKEJDJBMZCKI-GOSISDBHSA-N 0 3 302.418 2.360 10 30 DEEEHN C=CCOc1ccccc1CN[C@H](CO)C[C@H](O)C(C)(C)C ZINC000583504477 405750273 /nfs/dbraw/zinc/75/02/73/405750273.db2.gz SFSDMTNUBFNERJ-RDJZCZTQSA-N 0 3 307.434 2.499 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000564880242 406067505 /nfs/dbraw/zinc/06/75/05/406067505.db2.gz JGNVASUWHCEHGB-WCVJEAGWSA-N 0 3 309.454 2.140 10 30 DEEEHN C=CCCC(C)(C)CNCc1ccc(S(N)(=O)=O)s1 ZINC000639382297 406073752 /nfs/dbraw/zinc/07/37/52/406073752.db2.gz VXMXCSSAAXEWNT-UHFFFAOYSA-N 0 3 302.465 2.478 10 30 DEEEHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000518076808 406128997 /nfs/dbraw/zinc/12/89/97/406128997.db2.gz KVDYTVAEQMYXLC-CQSZACIVSA-N 0 3 306.454 2.442 10 30 DEEEHN C=CCOc1ccc(CNC[C@H](O)C[C@](C)(O)C2CC2)cc1 ZINC000634714284 406241454 /nfs/dbraw/zinc/24/14/54/406241454.db2.gz JCSDMCKNKCLETO-AEFFLSMTSA-N 0 3 305.418 2.253 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000633015790 406354208 /nfs/dbraw/zinc/35/42/08/406354208.db2.gz HQCDIRFNHRETQX-UHFFFAOYSA-N 0 3 315.417 2.337 10 30 DEEEHN C#C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491623497 406637134 /nfs/dbraw/zinc/63/71/34/406637134.db2.gz GBRCKRRPJFBDFH-LSDHHAIUSA-N 0 3 305.809 2.408 10 30 DEEEHN N#Cc1csc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000548989109 406570835 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CC[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)CCN1CCOC ZINC000135050598 401925701 /nfs/dbraw/zinc/92/57/01/401925701.db2.gz LDFUXVKDBHPAQX-QGZVFWFLSA-N 0 3 317.433 2.109 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)CCc2ccccc2O)CC1 ZINC000106036906 402212253 /nfs/dbraw/zinc/21/22/53/402212253.db2.gz ZUTZSMJLRNGVIV-UHFFFAOYSA-N 0 3 302.418 2.482 10 30 DEEEHN CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000230166911 402348541 /nfs/dbraw/zinc/34/85/41/402348541.db2.gz GOBTYIJAYQTCFG-GFCCVEGCSA-N 0 3 305.378 2.498 10 30 DEEEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000246106041 402510678 /nfs/dbraw/zinc/51/06/78/402510678.db2.gz WYEWOHQOVPKMPT-ZWKOTPCHSA-N 0 3 310.401 2.434 10 30 DEEEHN N#Cc1ccc2nc(NC[C@H](O)CN3CCCCC3)ccc2c1 ZINC000179886940 402602909 /nfs/dbraw/zinc/60/29/09/402602909.db2.gz GWVHWDKPCAXCTG-INIZCTEOSA-N 0 3 310.401 2.365 10 30 DEEEHN Cc1nccn1C[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000180125259 402608269 /nfs/dbraw/zinc/60/82/69/402608269.db2.gz KUYLTOWNTMYKAL-MRXNPFEDSA-N 0 3 320.400 2.376 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2.147 10 30 DEEEHN COC1CCN(CCN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000611587802 361642362 /nfs/dbraw/zinc/64/23/62/361642362.db2.gz SGOTXJQGYRHCMF-ZDUSSCGKSA-N 0 3 305.397 2.459 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638939 242047341 /nfs/dbraw/zinc/04/73/41/242047341.db2.gz UWRFIFQLNHZXPQ-RHSMWYFYSA-N 0 3 322.412 2.147 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CCN2C2CCCCC2)C1=O ZINC000630986005 367951660 /nfs/dbraw/zinc/95/16/60/367951660.db2.gz MFLSEMRBSSPIRF-CABCVRRESA-N 0 3 305.422 2.280 10 30 DEEEHN NCC#Cc1cc(C(=O)NCCc2ccccc2F)cs1 ZINC000093975638 193333389 /nfs/dbraw/zinc/33/33/89/193333389.db2.gz KCTKNNXNGIFDTI-UHFFFAOYSA-N 0 3 302.374 2.170 10 30 DEEEHN CCO[C@H]1CCCN(C(=O)c2cc(C)c(C#CCN)s2)C1 ZINC000094536525 193378422 /nfs/dbraw/zinc/37/84/22/193378422.db2.gz SRFXLPNOYPENPL-ZDUSSCGKSA-N 0 3 306.431 2.008 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](COC)CC2)CC1 ZINC000458312982 248259611 /nfs/dbraw/zinc/25/96/11/248259611.db2.gz BWOPVOPEFKEJGN-MRXNPFEDSA-N 0 3 323.481 2.485 10 30 DEEEHN C[C@@H](N)[C@@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284875 183350913 /nfs/dbraw/zinc/35/09/13/183350913.db2.gz ORWXDNOZFZZNAZ-KCJUWKMLSA-N 0 3 313.224 2.248 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCCc2ccsc2)cc1F ZINC000043583096 183373091 /nfs/dbraw/zinc/37/30/91/183373091.db2.gz XPVISKZBTDXPJT-UHFFFAOYSA-N 0 3 302.374 2.170 10 30 DEEEHN COCCNCc1ccc(O[C@@H](C)C#N)c(Br)c1 ZINC000062728474 184250837 /nfs/dbraw/zinc/25/08/37/184250837.db2.gz PERWVVVTXWXUIC-JTQLQIEISA-N 0 3 313.195 2.476 10 30 DEEEHN C=CCN1CCC(Nc2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000270052890 208109867 /nfs/dbraw/zinc/10/98/67/208109867.db2.gz IIKCUNVUXGSARW-UHFFFAOYSA-N 0 3 324.428 2.354 10 30 DEEEHN CC(C)N1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000158937595 197312651 /nfs/dbraw/zinc/31/26/51/197312651.db2.gz FRFDKXIJPBOXOX-HZMBPMFUSA-N 0 3 307.344 2.295 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2ccc(C#CCN)c(C)c2)CCS1 ZINC000157979236 197231742 /nfs/dbraw/zinc/23/17/42/197231742.db2.gz TYMGRNFSYJTEAJ-MRXNPFEDSA-N 0 3 302.443 2.273 10 30 DEEEHN CN(Cc1cccc(C#CCN)c1)C(=O)[C@@H]1CCCCS1 ZINC000156280149 197101464 /nfs/dbraw/zinc/10/14/64/197101464.db2.gz VNEIDEXSTFEKLC-INIZCTEOSA-N 0 3 302.443 2.241 10 30 DEEEHN C#CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000155558974 197066529 /nfs/dbraw/zinc/06/65/29/197066529.db2.gz ZJTMDCZATBMJDT-PBHICJAKSA-N 0 3 300.402 2.157 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115443358 401828410 /nfs/dbraw/zinc/82/84/10/401828410.db2.gz PVTYBLXAESPGGX-CABCVRRESA-N 0 3 315.417 2.126 10 30 DEEEHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000118017232 401889214 /nfs/dbraw/zinc/88/92/14/401889214.db2.gz KZFUJIGPLLAUEK-OAHLLOKOSA-N 0 3 316.405 2.099 10 30 DEEEHN C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CCN1C ZINC000089815119 401965997 /nfs/dbraw/zinc/96/59/97/401965997.db2.gz BKYIVCJIKQWSKE-GDBMZVCRSA-N 0 3 315.417 2.073 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000120221993 401982990 /nfs/dbraw/zinc/98/29/90/401982990.db2.gz RESAVWDUYZPPHT-HOCLYGCPSA-N 0 3 317.433 2.418 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000121075690 402013595 /nfs/dbraw/zinc/01/35/95/402013595.db2.gz LHJVZXJPOZIMIH-CABCVRRESA-N 0 3 310.438 2.075 10 30 DEEEHN C=CCOc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093663857 402018513 /nfs/dbraw/zinc/01/85/13/402018513.db2.gz URINLPWFJIUYHC-SFHVURJKSA-N 0 3 316.445 2.406 10 30 DEEEHN Cn1cc(N2CCC[C@H](NCc3ccc(C#N)s3)C2)cn1 ZINC000176976054 402355970 /nfs/dbraw/zinc/35/59/70/402355970.db2.gz QPJNHOPTKTXBCM-LBPRGKRZSA-N 0 3 301.419 2.112 10 30 DEEEHN N#Cc1ccc([C@H](O)CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246057853 402505788 /nfs/dbraw/zinc/50/57/88/402505788.db2.gz QXOADBLEAQMWOT-FUHWJXTLSA-N 0 3 322.412 2.421 10 30 DEEEHN CNC(=O)[C@H](NCc1cccc(OCCCC#N)c1)C(C)C ZINC000178951986 402558882 /nfs/dbraw/zinc/55/88/82/402558882.db2.gz IPEKPPHDIZKRIT-MRXNPFEDSA-N 0 3 303.406 2.229 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000187994125 402514841 /nfs/dbraw/zinc/51/48/41/402514841.db2.gz GSAYOWNMZPXAJS-CQSZACIVSA-N 0 3 315.417 2.268 10 30 DEEEHN C[C@H](O)CN1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000246508156 402534384 /nfs/dbraw/zinc/53/43/84/402534384.db2.gz ZRHUPAAXDWVANL-CABCVRRESA-N 0 3 306.837 2.078 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCCC[C@@H]1C ZINC000249513739 402632352 /nfs/dbraw/zinc/63/23/52/402632352.db2.gz XYOCTBOOQDCYPN-GJZGRUSLSA-N 0 3 315.417 2.316 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000174405542 402739559 /nfs/dbraw/zinc/73/95/59/402739559.db2.gz AIRXGZPTKMQROX-UHFFFAOYSA-N 0 3 324.450 2.452 10 30 DEEEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1 ZINC000194869739 402820036 /nfs/dbraw/zinc/82/00/36/402820036.db2.gz OGOGWWCMSADOAZ-LJQANCHMSA-N 0 3 321.424 2.390 10 30 DEEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454634 403006237 /nfs/dbraw/zinc/00/62/37/403006237.db2.gz PLDGWPFWQABITI-ZYHUDNBSSA-N 0 3 319.373 2.271 10 30 DEEEHN CC(C)CN1CCC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000269900520 403174512 /nfs/dbraw/zinc/17/45/12/403174512.db2.gz SVFYRIUBFKGCPW-CYBMUJFWSA-N 0 3 303.366 2.394 10 30 DEEEHN C#CCCOc1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284218652 403254783 /nfs/dbraw/zinc/25/47/83/403254783.db2.gz ZYJLYRZZUFXZRK-SJLPKXTDSA-N 0 3 319.445 2.336 10 30 DEEEHN C=CCOc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000286557028 403534353 /nfs/dbraw/zinc/53/43/53/403534353.db2.gz AWHMZCTYCBQIJS-HNNXBMFYSA-N 0 3 303.406 2.145 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(N(C)C)CCC1 ZINC000287012510 403552396 /nfs/dbraw/zinc/55/23/96/403552396.db2.gz HUNXKQUMCUSLMO-QGZVFWFLSA-N 0 3 313.445 2.405 10 30 DEEEHN C=CCCCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000343212455 403496957 /nfs/dbraw/zinc/49/69/57/403496957.db2.gz OGYJWZFUEOZUCT-HNNXBMFYSA-N 0 3 323.481 2.038 10 30 DEEEHN C=CCn1c(-c2ccccn2)nnc1N1CCCN(CC)CC1 ZINC000290389262 404150228 /nfs/dbraw/zinc/15/02/28/404150228.db2.gz NKPDCMRHLPPZRZ-UHFFFAOYSA-N 0 3 312.421 2.058 10 30 DEEEHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000344514312 404195654 /nfs/dbraw/zinc/19/56/54/404195654.db2.gz MKLKGGHAFQMQER-UNEWFSDZSA-N 0 3 300.402 2.350 10 30 DEEEHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329709316 404428343 /nfs/dbraw/zinc/42/83/43/404428343.db2.gz LNRYDUMJVGUSTO-QCEMKRCNSA-N 0 3 308.422 2.011 10 30 DEEEHN C=CCOc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000342192654 404432609 /nfs/dbraw/zinc/43/26/09/404432609.db2.gz BFDFRYCQWHUSKA-OAHLLOKOSA-N 0 3 309.431 2.166 10 30 DEEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCCCCC1 ZINC000330225844 404593188 /nfs/dbraw/zinc/59/31/88/404593188.db2.gz UCYQNNWVQXAHAR-GDBMZVCRSA-N 0 3 320.437 2.330 10 30 DEEEHN C=C[C@](C)(CC)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000358269676 404758105 /nfs/dbraw/zinc/75/81/05/404758105.db2.gz BZSLHWQXHRARDV-QGZVFWFLSA-N 0 3 303.406 2.341 10 30 DEEEHN CSC1(CNC(=O)N2CCC(C)(C#N)CC2)CCN(C)CC1 ZINC000358287649 404759000 /nfs/dbraw/zinc/75/90/00/404759000.db2.gz MAFGLFRVSQYZTI-UHFFFAOYSA-N 0 3 324.494 2.149 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000424297432 405061866 /nfs/dbraw/zinc/06/18/66/405061866.db2.gz QRMLZFIEYQQXNB-VYDXJSESSA-N 0 3 323.458 2.338 10 30 DEEEHN C=CCOc1ccccc1CNC[C@@H]1CCCN1CCCO ZINC000449385311 405535532 /nfs/dbraw/zinc/53/55/32/405535532.db2.gz FHNXLDMVPLIVDZ-KRWDZBQOSA-N 0 3 304.434 2.188 10 30 DEEEHN C=CCOc1ccc(CN(CCO)[C@@H]2CCO[C@@H]2C)cc1OC ZINC000449676318 405686186 /nfs/dbraw/zinc/68/61/86/405686186.db2.gz GIPDRKZFZPIJMJ-GDBMZVCRSA-N 0 3 321.417 2.232 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000450277642 405813082 /nfs/dbraw/zinc/81/30/82/405813082.db2.gz PPQHJGATPIBVAS-LTIDMASMSA-N 0 3 300.402 2.139 10 30 DEEEHN C=CCOc1cccnc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025188 405771583 /nfs/dbraw/zinc/77/15/83/405771583.db2.gz ZYOKBROBIWRNEP-HNNXBMFYSA-N 0 3 315.417 2.393 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000564880237 406067392 /nfs/dbraw/zinc/06/73/92/406067392.db2.gz JGNVASUWHCEHGB-FZKCQIBNSA-N 0 3 309.454 2.140 10 30 DEEEHN C=CCN(CCOC)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637366172 406278737 /nfs/dbraw/zinc/27/87/37/406278737.db2.gz AJOXGJFONBVPSW-MRXNPFEDSA-N 0 3 309.454 2.237 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000488812992 406351330 /nfs/dbraw/zinc/35/13/30/406351330.db2.gz GGZCHMLJHVWVGE-HIFRSBDPSA-N 0 3 313.392 2.324 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000637621602 406368050 /nfs/dbraw/zinc/36/80/50/406368050.db2.gz RBOPQBFPSIAXRC-UHFFFAOYSA-N 0 3 324.513 2.258 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCCN1CCO ZINC000637620339 406368211 /nfs/dbraw/zinc/36/82/11/406368211.db2.gz BONQLIJIESXUSC-OAHLLOKOSA-N 0 3 311.470 2.125 10 30 DEEEHN CCC[C@@H](COC)NC(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129171908 196025818 /nfs/dbraw/zinc/02/58/18/196025818.db2.gz SBQQOLCPZJQUDH-AWEZNQCLSA-N 0 3 308.809 2.195 10 30 DEEEHN C[C@H](C[C@@H]1COCCN1)Nc1ccc(Br)cc1C#N ZINC000134162098 196366604 /nfs/dbraw/zinc/36/66/04/196366604.db2.gz KEHSIVUUHBAJGC-ZWNOBZJWSA-N 0 3 324.222 2.500 10 30 DEEEHN N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000333296029 226104139 /nfs/dbraw/zinc/10/41/39/226104139.db2.gz JWDKIYHFJYMUDF-JSGCOSHPSA-N 0 3 314.389 2.372 10 30 DEEEHN N#CCCn1cc(CN2C[C@H](O)C3(CC3)C2)c(-c2ccccc2)n1 ZINC000368800996 227021262 /nfs/dbraw/zinc/02/12/62/227021262.db2.gz UXCPWAFBKDPBII-KRWDZBQOSA-N 0 3 322.412 2.420 10 30 DEEEHN Cc1nsc(N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000301955190 230000450 /nfs/dbraw/zinc/00/04/50/230000450.db2.gz LBSXPPQVDSNXII-UHFFFAOYSA-N 0 3 301.419 2.286 10 30 DEEEHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncc(Br)cc1C#N ZINC000297054769 274374589 /nfs/dbraw/zinc/37/45/89/274374589.db2.gz IOLTZRZQCKAVHL-ZWNOBZJWSA-N 0 3 321.222 2.389 10 30 DEEEHN C=CCC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCOCC1 ZINC000424661620 276882577 /nfs/dbraw/zinc/88/25/77/276882577.db2.gz KPVFWRVRGKJQIJ-MRXNPFEDSA-N 0 3 306.450 2.446 10 30 DEEEHN CNC(=O)[C@H](C)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177367101 277247632 /nfs/dbraw/zinc/24/76/32/277247632.db2.gz NTYMTTZWPIBKPK-GFCCVEGCSA-N 0 3 312.335 2.371 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000344163620 335226458 /nfs/dbraw/zinc/22/64/58/335226458.db2.gz VZEQFAOGTSUECB-JKSUJKDBSA-N 0 3 323.481 2.075 10 30 DEEEHN C=CCOC[C@H](O)CNCCOc1cccc(C(F)(F)F)c1 ZINC000584627875 337376159 /nfs/dbraw/zinc/37/61/59/337376159.db2.gz NSMKTMUJSUKMHT-CYBMUJFWSA-N 0 3 319.323 2.237 10 30 DEEEHN CN1CCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245915983 341318140 /nfs/dbraw/zinc/31/81/40/341318140.db2.gz FORVGCROAWDNNX-JKSUJKDBSA-N 0 3 300.406 2.425 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)cn1C ZINC000157762930 525012924 /nfs/dbraw/zinc/01/29/24/525012924.db2.gz MUGNOBVPZAQQNO-PBHICJAKSA-N 0 3 322.412 2.147 10 30 DEEEHN C=CCN1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440991877 526432033 /nfs/dbraw/zinc/43/20/33/526432033.db2.gz YFUDFBIWEPISQE-UHFFFAOYSA-N 0 3 304.438 2.266 10 30 DEEEHN C=CCOCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000378598405 526780909 /nfs/dbraw/zinc/78/09/09/526780909.db2.gz UQEMLFMULMLTDE-WBVHZDCISA-N 0 3 317.433 2.151 10 30 DEEEHN C#CCOc1ccccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000128543647 527125768 /nfs/dbraw/zinc/12/57/68/527125768.db2.gz WACNJFVTRFPKIY-INIZCTEOSA-N 0 3 310.401 2.202 10 30 DEEEHN C=CCCC[C@@H](C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000340873081 527251215 /nfs/dbraw/zinc/25/12/15/527251215.db2.gz DCFYVFAISQFTMH-HUUCEWRRSA-N 0 3 314.437 2.380 10 30 DEEEHN CON=Cc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000255491608 624840044 /nfs/dbraw/zinc/84/00/44/624840044.db2.gz BTZYSEKRYMAMDN-CQSZACIVSA-N 0 3 303.406 2.271 10 30 DEEEHN N#CC(C(=O)CCCOc1ccccc1)C(=O)N1CCCC1 ZINC000124684781 633408320 /nfs/dbraw/zinc/40/83/20/633408320.db2.gz VSWPCOKHUGLGCU-HNNXBMFYSA-N 0 3 300.358 2.177 10 30 DEEEHN C#CCC(CC#C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000806352960 645821819 /nfs/dbraw/zinc/82/18/19/645821819.db2.gz ASFPNOLYOYHRBR-UHFFFAOYSA-N 0 3 323.440 2.430 10 30 DEEEHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000121558348 651049460 /nfs/dbraw/zinc/04/94/60/651049460.db2.gz DQOZOSZOBMTRIP-ZOWXZIJZSA-N 0 3 316.357 2.300 10 30 DEEEHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000250485330 685190005 /nfs/dbraw/zinc/19/00/05/685190005.db2.gz KVSUBRZBZFQMMT-MCIONIFRSA-N 0 3 302.761 2.431 10 30 DEEEHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccc(F)cc1 ZINC000612729639 361902594 /nfs/dbraw/zinc/90/25/94/361902594.db2.gz AOOIIXDHTJONCZ-CVEARBPZSA-N 0 3 301.365 2.381 10 30 DEEEHN C=CC[C@H](C(=O)N1CCC[C@](O)(CN(C)C)C1)c1ccccc1 ZINC000614065914 362274531 /nfs/dbraw/zinc/27/45/31/362274531.db2.gz XVPGGPBYUABWPT-HKUYNNGSSA-N 0 3 316.445 2.261 10 30 DEEEHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc(C#N)c[nH]1 ZINC000328614266 529954872 /nfs/dbraw/zinc/95/48/72/529954872.db2.gz 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C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193826918 201130316 /nfs/dbraw/zinc/13/03/16/201130316.db2.gz YAJCNPIZGYSICH-KSSFIOAISA-N 0 3 320.396 2.204 10 30 DEEEHN C=CCNC(=O)NC(=O)CN[C@H](CC1CC1)c1ccccc1 ZINC000611395767 361590755 /nfs/dbraw/zinc/59/07/55/361590755.db2.gz SUQBFHGAUDFMCC-OAHLLOKOSA-N 0 3 301.390 2.129 10 30 DEEEHN CCNC(=O)N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394737 361591052 /nfs/dbraw/zinc/59/10/52/361591052.db2.gz ZGHKAUXQIQJCGK-DOTOQJQBSA-N 0 3 312.417 2.329 10 30 DEEEHN C=C(CC)CNCc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623542822 365071544 /nfs/dbraw/zinc/07/15/44/365071544.db2.gz RJPXOXROCDGCQA-UHFFFAOYSA-N 0 3 324.384 2.262 10 30 DEEEHN C=CCc1cc(CNCC[C@H](O)C(F)F)cc(OC)c1O ZINC000631217987 368084495 /nfs/dbraw/zinc/08/44/95/368084495.db2.gz ZTHMQUBHPZAOCE-LBPRGKRZSA-N 0 3 301.333 2.235 10 30 DEEEHN CCCN(CC(F)(F)F)C(=O)c1csc(C#CCN)c1 ZINC000093976216 193332507 /nfs/dbraw/zinc/33/25/07/193332507.db2.gz AAAJLGIULSRSIR-UHFFFAOYSA-N 0 3 304.337 2.473 10 30 DEEEHN C[C@H](C(=O)Nc1ccc(Cl)c(C#CCN)c1)n1cccn1 ZINC000094671746 193391629 /nfs/dbraw/zinc/39/16/29/193391629.db2.gz FFOBZSNXQYFXIP-LLVKDONJSA-N 0 3 302.765 2.046 10 30 DEEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1sccc1C#CCO ZINC000094441015 193369679 /nfs/dbraw/zinc/36/96/79/193369679.db2.gz SKNOLRWXXGIHLK-GOEBONIOSA-N 0 3 304.459 2.151 10 30 DEEEHN COc1ccc(CN2CCCN(c3cnc(C#N)cn3)CC2)cc1 ZINC000106463532 194218103 /nfs/dbraw/zinc/21/81/03/194218103.db2.gz VLNCAGZSCFUHMC-UHFFFAOYSA-N 0 3 323.400 2.069 10 30 DEEEHN C=C(Cl)COc1cc(CNCCOC)ccc1[N+](=O)[O-] ZINC000062733386 184251232 /nfs/dbraw/zinc/25/12/32/184251232.db2.gz YMFTYZFLHUSPLR-UHFFFAOYSA-N 0 3 300.742 2.462 10 30 DEEEHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000362714350 133247413 /nfs/dbraw/zinc/24/74/13/133247413.db2.gz DRIYGYKYXLILMJ-AFAVFJNCSA-N 0 3 322.380 2.168 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000128640429 401786150 /nfs/dbraw/zinc/78/61/50/401786150.db2.gz PIJGDEZNPPKQHD-QGZVFWFLSA-N 0 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ZINC000174559891 402746889 /nfs/dbraw/zinc/74/68/89/402746889.db2.gz AQQHWMFRSGOWOV-UHFFFAOYSA-N 0 3 310.353 2.498 10 30 DEEEHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(C#N)c1 ZINC000192885168 402755055 /nfs/dbraw/zinc/75/50/55/402755055.db2.gz DNAGKANNJGHLOT-MGPQQGTHSA-N 0 3 300.406 2.049 10 30 DEEEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271985838 402887847 /nfs/dbraw/zinc/88/78/47/402887847.db2.gz XVKAILQOBMYSQF-CXAGYDPISA-N 0 3 309.413 2.454 10 30 DEEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454628 403006290 /nfs/dbraw/zinc/00/62/90/403006290.db2.gz PLDGWPFWQABITI-CMPLNLGQSA-N 0 3 319.373 2.271 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCC(F)(F)F ZINC000285071050 403277759 /nfs/dbraw/zinc/27/77/59/403277759.db2.gz KCCADKZLVYMPCO-TZMCWYRMSA-N 0 3 312.335 2.278 10 30 DEEEHN C=CCN(CC=C)C(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000362238266 403936624 /nfs/dbraw/zinc/93/66/24/403936624.db2.gz VWOHROOXQRHGOW-YJBOKZPZSA-N 0 3 308.466 2.354 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/nfs/dbraw/zinc/98/29/34/405982934.db2.gz MTCHYGGQJZJPGB-YESZJQIVSA-N 0 3 323.481 2.145 10 30 DEEEHN C=CCN1CC[C@H](N(C)CC/C=C\c2cncc(OC)c2)C1=O ZINC000565477904 406072119 /nfs/dbraw/zinc/07/21/19/406072119.db2.gz UVBIAJVTFXQKLN-WVRJYTFGSA-N 0 3 315.417 2.212 10 30 DEEEHN CN(C)CCOc1cc(NC(=O)Cc2cccc(C#N)c2)ccn1 ZINC000537341827 406288409 /nfs/dbraw/zinc/28/84/09/406288409.db2.gz MLETYIVKDAHDOT-UHFFFAOYSA-N 0 3 324.384 2.075 10 30 DEEEHN N#Cc1csc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000548989110 406570967 /nfs/dbraw/zinc/57/09/67/406570967.db2.gz KILCTYHELNYYEQ-ZFWWWQNUSA-N 0 3 306.431 2.277 10 30 DEEEHN CN(C(=O)c1ccc(C#CCN)c(Cl)c1)[C@@H]1CCSC1 ZINC000129021878 196012279 /nfs/dbraw/zinc/01/22/79/196012279.db2.gz LFJJHYJXPWZQHP-CYBMUJFWSA-N 0 3 308.834 2.228 10 30 DEEEHN Cc1cc(C#CCN)cc(C(=O)NC[C@]2(C)CCCS2)c1 ZINC000131829578 196202748 /nfs/dbraw/zinc/20/27/48/196202748.db2.gz PYQVRWUQRHCJSE-KRWDZBQOSA-N 0 3 302.443 2.321 10 30 DEEEHN NCC#Cc1ccsc1Cn1c(=O)cccc1C(F)(F)F ZINC000132805556 196285367 /nfs/dbraw/zinc/28/53/67/196285367.db2.gz AUJAZMOBAUDBRF-UHFFFAOYSA-N 0 3 312.316 2.287 10 30 DEEEHN COc1ccc(C#CCN)c(CN2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133756811 196334867 /nfs/dbraw/zinc/33/48/67/196334867.db2.gz HZBIROPCGLJNIC-KBPBESRZSA-N 0 3 304.459 2.331 10 30 DEEEHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000248565588 225238836 /nfs/dbraw/zinc/23/88/36/225238836.db2.gz NGAZYMVKLDYXOR-KGLIPLIRSA-N 0 3 314.389 2.289 10 30 DEEEHN C[C@@]1(CNc2cc(C#N)ncn2)CCCN1Cc1ccccc1 ZINC000397927197 424921332 /nfs/dbraw/zinc/92/13/32/424921332.db2.gz RVSZQXDQTCWNRM-SFHVURJKSA-N 0 3 307.401 2.815 10 30 DEEEHN CN(C)Cc1cccc(CNC(=O)Cc2cccc(C#N)c2)c1 ZINC000530910364 267283510 /nfs/dbraw/zinc/28/35/10/267283510.db2.gz ZCMOCDRZDSIYNK-UHFFFAOYSA-N 0 3 307.397 2.479 10 30 DEEEHN CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1ccccc1 ZINC000329403328 290189324 /nfs/dbraw/zinc/18/93/24/290189324.db2.gz YSERKQUDYLNYQK-OFQRWUPVSA-N 0 3 301.390 2.009 10 30 DEEEHN C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000370006576 526624130 /nfs/dbraw/zinc/62/41/30/526624130.db2.gz CZFNTTZOSMUOQU-DLBZAZTESA-N 0 3 315.461 2.274 10 30 DEEEHN C=CCOCCN(Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000339137180 526769751 /nfs/dbraw/zinc/76/97/51/526769751.db2.gz AABAMQBECLKROC-SJLPKXTDSA-N 0 3 305.418 2.231 10 30 DEEEHN C=CCOCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000373338404 526779569 /nfs/dbraw/zinc/77/95/69/526779569.db2.gz DONKXLAJHFPKHE-NVXWUHKLSA-N 0 3 317.433 2.009 10 30 DEEEHN C=CCOCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000373338402 526779702 /nfs/dbraw/zinc/77/97/02/526779702.db2.gz DONKXLAJHFPKHE-DOTOQJQBSA-N 0 3 317.433 2.009 10 30 DEEEHN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000127271969 526827128 /nfs/dbraw/zinc/82/71/28/526827128.db2.gz WDAVYZBGNKPHNB-CYBMUJFWSA-N 0 3 304.390 2.036 10 30 DEEEHN C=CCCCCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407719 527133810 /nfs/dbraw/zinc/13/38/10/527133810.db2.gz AJJQJNBZJQJSAW-OAHLLOKOSA-N 0 3 300.468 2.233 10 30 DEEEHN C=CCCCN(C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000192032547 527192765 /nfs/dbraw/zinc/19/27/65/527192765.db2.gz FNMOVIJRXVXRIE-UHFFFAOYSA-N 0 3 310.463 2.346 10 30 DEEEHN C(#Cc1ccccc1)CN1CCC(CCN2CCOCC2)CC1 ZINC000377011656 527464701 /nfs/dbraw/zinc/46/47/01/527464701.db2.gz CASBCYJIHYAWJU-UHFFFAOYSA-N 0 3 312.457 2.472 10 30 DEEEHN C=C(Br)CN[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186321011 634135319 /nfs/dbraw/zinc/13/53/19/634135319.db2.gz UFFVIGDKAHEREP-RYUDHWBXSA-N 0 3 304.228 2.459 10 30 DEEEHN CCN(CC)c1ccc(/C=[NH+]\CCCn2ccnn2)c([O-])c1 ZINC000588424980 777141539 /nfs/dbraw/zinc/14/15/39/777141539.db2.gz LCIITAWDEPVQDD-LGMDPLHJSA-N 0 3 301.394 2.339 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C#N)cc1 ZINC000079213652 185161680 /nfs/dbraw/zinc/16/16/80/185161680.db2.gz KYACAAOWRJZUOZ-INIZCTEOSA-N 0 3 302.422 2.334 10 30 DEEEHN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(C#CCN)c1 ZINC000088310897 185245344 /nfs/dbraw/zinc/24/53/44/185245344.db2.gz MVSNYNMQSDSZDY-ZIAGYGMSSA-N 0 3 308.447 2.100 10 30 DEEEHN CN(CCC(F)(F)F)C(=O)c1ccc(F)cc1C#CCN ZINC000088436856 185250322 /nfs/dbraw/zinc/25/03/22/185250322.db2.gz MUZWYWVZYYUZRS-UHFFFAOYSA-N 0 3 302.271 2.160 10 30 DEEEHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193209029 282272663 /nfs/dbraw/zinc/27/26/63/282272663.db2.gz ZCBPIVQSVXMMJE-INIZCTEOSA-N 0 3 306.369 2.086 10 30 DEEEHN NCC#Cc1cc(F)cc(OCCCOCC(F)(F)F)c1 ZINC000133691211 186007815 /nfs/dbraw/zinc/00/78/15/186007815.db2.gz VZWNUWMXNSSOMJ-UHFFFAOYSA-N 0 3 305.271 2.484 10 30 DEEEHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC000150303872 186056537 /nfs/dbraw/zinc/05/65/37/186056537.db2.gz BFIYPBVUMRHZQP-LBPRGKRZSA-N 0 3 315.826 2.007 10 30 DEEEHN Cc1ccc(C#N)c(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000161981172 355970192 /nfs/dbraw/zinc/97/01/92/355970192.db2.gz JANPFCHMUVOHDX-QGZVFWFLSA-N 0 3 314.433 2.343 10 30 DEEEHN C[C@@H](NS(=O)(=O)CC(C)(C)C)c1ccc(C#CCN)cc1 ZINC000080192901 192011179 /nfs/dbraw/zinc/01/11/79/192011179.db2.gz SNLMDKDUBPKOAV-CYBMUJFWSA-N 0 3 308.447 2.023 10 30 DEEEHN C[C@H](COCc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594432863 358268532 /nfs/dbraw/zinc/26/85/32/358268532.db2.gz HHSVXVGUDLHNMK-GDBMZVCRSA-N 0 3 303.406 2.119 10 30 DEEEHN C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000627735833 366604952 /nfs/dbraw/zinc/60/49/52/366604952.db2.gz DUQFDMDEWXVQQR-AWEZNQCLSA-N 0 3 315.417 2.111 10 30 DEEEHN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000611982838 361718848 /nfs/dbraw/zinc/71/88/48/361718848.db2.gz XGYSFRSZPXQXEW-KRWDZBQOSA-N 0 3 317.433 2.466 10 30 DEEEHN CN(Cc1ccccn1)[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000275469312 212354087 /nfs/dbraw/zinc/35/40/87/212354087.db2.gz AKOXDYODBNMEGP-QGZVFWFLSA-N 0 3 322.416 2.234 10 30 DEEEHN C=C(C)COc1cc(CNC[C@@H]2COCCN2C)ccc1OC ZINC000623710941 365140204 /nfs/dbraw/zinc/14/02/04/365140204.db2.gz PUQKIRAZWZBWCL-MRXNPFEDSA-N 0 3 320.433 2.070 10 30 DEEEHN C[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H](c1ccccc1)N(C)C ZINC000450705471 242124808 /nfs/dbraw/zinc/12/48/08/242124808.db2.gz XHARVJDODBOYGK-GUYCJALGSA-N 0 3 310.401 2.318 10 30 DEEEHN NCC#Cc1cc(NC(=O)c2ccncc2F)ccc1Cl ZINC000094671679 193391948 /nfs/dbraw/zinc/39/19/48/193391948.db2.gz BSYSIOAMTQKICU-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN CCO[C@@H]1CCCN(C(=O)c2cc(C)c(C#CCN)s2)C1 ZINC000094536524 193378675 /nfs/dbraw/zinc/37/86/75/193378675.db2.gz SRFXLPNOYPENPL-CYBMUJFWSA-N 0 3 306.431 2.008 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000488812991 248812567 /nfs/dbraw/zinc/81/25/67/248812567.db2.gz GGZCHMLJHVWVGE-DZGCQCFKSA-N 0 3 313.392 2.324 10 30 DEEEHN CN(Cc1cc(C#CCN)cs1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042400614 183264247 /nfs/dbraw/zinc/26/42/47/183264247.db2.gz JSKSIFJBXRITJW-BJJXKVORSA-N 0 3 302.443 2.453 10 30 DEEEHN C[C@@H](N)[C@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284881 183350554 /nfs/dbraw/zinc/35/05/54/183350554.db2.gz ORWXDNOZFZZNAZ-LDYMZIIASA-N 0 3 313.224 2.248 10 30 DEEEHN CCN(CC(F)(F)F)C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583169 183373267 /nfs/dbraw/zinc/37/32/67/183373267.db2.gz BXGSDOZIJXWFSK-UHFFFAOYSA-N 0 3 302.271 2.160 10 30 DEEEHN CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3ccccc32)N(C)C1 ZINC000284535072 218067542 /nfs/dbraw/zinc/06/75/42/218067542.db2.gz LGNNSFNBPCJRLP-GJZGRUSLSA-N 0 3 310.401 2.262 10 30 DEEEHN C#CCOc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000105905341 194166985 /nfs/dbraw/zinc/16/69/85/194166985.db2.gz MXXZDRYSEKZHHZ-KRWDZBQOSA-N 0 3 322.412 2.247 10 30 DEEEHN CC[C@H]1CN(C(=O)c2cc(C#CCN)ccc2F)CCS1 ZINC000157982392 197233178 /nfs/dbraw/zinc/23/31/78/197233178.db2.gz DBTRYFKFHZCRIU-ZDUSSCGKSA-N 0 3 306.406 2.104 10 30 DEEEHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155320959 197043117 /nfs/dbraw/zinc/04/31/17/197043117.db2.gz YBGNVWKCFHZBRU-OFQRWUPVSA-N 0 3 300.402 2.011 10 30 DEEEHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccnc(C#N)c2)c1 ZINC000193150819 145083001 /nfs/dbraw/zinc/08/30/01/145083001.db2.gz MWNACLPQTNZFLP-UHFFFAOYSA-N 0 3 322.412 2.466 10 30 DEEEHN C#CCCOc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000113338983 401776945 /nfs/dbraw/zinc/77/69/45/401776945.db2.gz RVSYPGCOSBGGJT-LJQANCHMSA-N 0 3 314.429 2.042 10 30 DEEEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)cn1 ZINC000116311371 401848476 /nfs/dbraw/zinc/84/84/76/401848476.db2.gz MNAJUHUGHDLGMV-OAHLLOKOSA-N 0 3 323.400 2.110 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCCCCC1 ZINC000078451588 401852061 /nfs/dbraw/zinc/85/20/61/401852061.db2.gz BYKRGCWVFUQWSB-OAHLLOKOSA-N 0 3 315.417 2.318 10 30 DEEEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000118793937 401907997 /nfs/dbraw/zinc/90/79/97/401907997.db2.gz ZCQMABFQHLWFSY-CYBMUJFWSA-N 0 3 322.796 2.006 10 30 DEEEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000120772439 402001185 /nfs/dbraw/zinc/00/11/85/402001185.db2.gz BQXJPENUJNKNSN-INIZCTEOSA-N 0 3 315.417 2.074 10 30 DEEEHN CN(c1cnc(C#N)cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000126127182 402265558 /nfs/dbraw/zinc/26/55/58/402265558.db2.gz AVNVOAKCGDVKLH-KRWDZBQOSA-N 0 3 307.401 2.449 10 30 DEEEHN C#CCOCCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000163410259 402449342 /nfs/dbraw/zinc/44/93/42/402449342.db2.gz IHRSYIRPCAEJPM-IBGZPJMESA-N 0 3 314.429 2.197 10 30 DEEEHN C=CCC(CC=C)C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000163023912 402439471 /nfs/dbraw/zinc/43/94/71/402439471.db2.gz QACOFDOYHJEHMC-SFHVURJKSA-N 0 3 319.493 2.383 10 30 DEEEHN C=CCN(CCOC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000189687665 402552056 /nfs/dbraw/zinc/55/20/56/402552056.db2.gz RHOSCUAOBRZWSI-IRXDYDNUSA-N 0 3 317.433 2.276 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCN1C[C@H](C)O ZINC000249154597 402622405 /nfs/dbraw/zinc/62/24/05/402622405.db2.gz ZYDULGCNQIWYOI-YJBOKZPZSA-N 0 3 301.434 2.144 10 30 DEEEHN N#Cc1ccc(CSCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195333212 402842547 /nfs/dbraw/zinc/84/25/47/402842547.db2.gz CTASRYVUFRQYKV-INIZCTEOSA-N 0 3 315.442 2.098 10 30 DEEEHN C#CCN1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000195006983 402826165 /nfs/dbraw/zinc/82/61/65/402826165.db2.gz PYPWZFVDSZAJAQ-UHFFFAOYSA-N 0 3 300.446 2.273 10 30 DEEEHN C#CCC(CC#C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000287993850 403705483 /nfs/dbraw/zinc/70/54/83/403705483.db2.gz KTFRZPTUZQBLJK-GOSISDBHSA-N 0 3 312.413 2.077 10 30 DEEEHN C=CCOc1cccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000295194750 403791471 /nfs/dbraw/zinc/79/14/71/403791471.db2.gz XSYPIEQIJUHCDU-MSOLQXFVSA-N 0 3 302.418 2.156 10 30 DEEEHN C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328617591 404115693 /nfs/dbraw/zinc/11/56/93/404115693.db2.gz CWDBMHONGHIPJS-SYAUCNOPSA-N 0 3 303.406 2.456 10 30 DEEEHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352086273 404134876 /nfs/dbraw/zinc/13/48/76/404134876.db2.gz ZWTYKTYPARJESB-RCBQFDQVSA-N 0 3 321.852 2.366 10 30 DEEEHN CCn1c(C)nnc1SCC(=O)NC1CCN(C2CC2)CC1 ZINC000328713665 404136559 /nfs/dbraw/zinc/13/65/59/404136559.db2.gz SBUVGOQUMKYORN-UHFFFAOYSA-N 0 3 323.466 2.282 10 30 DEEEHN Cc1nn(C)c(C)c1NC(=O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000329508076 404359939 /nfs/dbraw/zinc/35/99/39/404359939.db2.gz AWQAXIRJAFFJCZ-SWLSCSKDSA-N 0 3 319.453 2.184 10 30 DEEEHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000329933873 404499563 /nfs/dbraw/zinc/49/95/63/404499563.db2.gz BTEFNZBUPKSWDS-LGRHPFTQSA-N 0 3 322.412 2.287 10 30 DEEEHN [O-]C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329933873 404499574 /nfs/dbraw/zinc/49/95/74/404499574.db2.gz BTEFNZBUPKSWDS-LGRHPFTQSA-N 0 3 322.412 2.287 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]1COC)C(C)C ZINC000297076847 404440100 /nfs/dbraw/zinc/44/01/00/404440100.db2.gz LTTCRLMKGQQDAP-HOTGVXAUSA-N 0 3 309.454 2.115 10 30 DEEEHN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCN(CC)C2)cn1 ZINC000330355515 404635203 /nfs/dbraw/zinc/63/52/03/404635203.db2.gz QQYJHCCGWNGGIT-OWCLPIDISA-N 0 3 320.437 2.421 10 30 DEEEHN C=CCOc1cccc(NC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000415016921 404788786 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ZINC000491332089 406570571 /nfs/dbraw/zinc/57/05/71/406570571.db2.gz GRWPCHQZSFMUJW-CQSZACIVSA-N 0 3 313.401 2.426 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)c1coc(CO)c1)C(C)C ZINC000635559741 406590182 /nfs/dbraw/zinc/59/01/82/406590182.db2.gz IDERHPJFXXDIIP-MRXNPFEDSA-N 0 3 306.406 2.200 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCc2nccs2)cc1Cl ZINC000129080414 196017145 /nfs/dbraw/zinc/01/71/45/196017145.db2.gz RGMMOMCHDFDPDW-UHFFFAOYSA-N 0 3 305.790 2.037 10 30 DEEEHN NCC#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1Cl ZINC000129188776 196027671 /nfs/dbraw/zinc/02/76/71/196027671.db2.gz PBJGSMLOCLAFCE-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN Cc1cc(C#CCN)cc(C(=O)NC[C@H]2CCCCS2)c1 ZINC000131828086 196202656 /nfs/dbraw/zinc/20/26/56/196202656.db2.gz VQQJUAWWKCHTBD-MRXNPFEDSA-N 0 3 302.443 2.321 10 30 DEEEHN C#CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000133223188 196322810 /nfs/dbraw/zinc/32/28/10/196322810.db2.gz OZOJJUHHLQXMQU-GFCCVEGCSA-N 0 3 312.435 2.248 10 30 DEEEHN 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ZINC000111886159 401726955 /nfs/dbraw/zinc/72/69/55/401726955.db2.gz VGABRCQCGUARQM-OAHLLOKOSA-N 0 3 303.406 2.097 10 30 DEEEHN CN1CCC[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000111581760 401717678 /nfs/dbraw/zinc/71/76/78/401717678.db2.gz FRNYSXDGYOASQB-INIZCTEOSA-N 0 3 315.417 2.318 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000128640216 401785869 /nfs/dbraw/zinc/78/58/69/401785869.db2.gz PIJGDEZNPPKQHD-KRWDZBQOSA-N 0 3 319.449 2.051 10 30 DEEEHN Cc1csc([C@@H]2CCCN(CCC(=O)N(C)CCC#N)C2)n1 ZINC000092795423 402009230 /nfs/dbraw/zinc/00/92/30/402009230.db2.gz WNUJIBWEKFDHJP-CQSZACIVSA-N 0 3 320.462 2.393 10 30 DEEEHN C=CCOc1ccc(CNC2(CC(=O)OC)CCOCC2)cc1 ZINC000152534754 402099725 /nfs/dbraw/zinc/09/97/25/402099725.db2.gz RJYXNLXUTVYASC-UHFFFAOYSA-N 0 3 319.401 2.453 10 30 DEEEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(C#N)c1 ZINC000177394291 402397912 /nfs/dbraw/zinc/39/79/12/402397912.db2.gz OMDXCUFRXHJUQZ-INIZCTEOSA-N 0 3 300.406 2.184 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C#N)c1 ZINC000177394271 402397990 /nfs/dbraw/zinc/39/79/90/402397990.db2.gz OMDXCUFRXHJUQZ-MRXNPFEDSA-N 0 3 300.406 2.184 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000186586182 402444498 /nfs/dbraw/zinc/44/44/98/402444498.db2.gz JYEPIICRELKPOC-HNNXBMFYSA-N 0 3 309.454 2.284 10 30 DEEEHN C=CCN1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186688191 402456105 /nfs/dbraw/zinc/45/61/05/402456105.db2.gz DLEWWXIDKOVUQD-UHFFFAOYSA-N 0 3 309.413 2.356 10 30 DEEEHN C=CCC1(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)CCC1 ZINC000188322393 402519646 /nfs/dbraw/zinc/51/96/46/402519646.db2.gz HFZJEROPOHHCLS-QGZVFWFLSA-N 0 3 319.493 2.361 10 30 DEEEHN C=CCN(CCOC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000250747635 402646925 /nfs/dbraw/zinc/64/69/25/402646925.db2.gz RHOSCUAOBRZWSI-DLBZAZTESA-N 0 3 317.433 2.276 10 30 DEEEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000174533908 402745867 /nfs/dbraw/zinc/74/58/67/402745867.db2.gz HGZHXYTUEQPCJU-HOCLYGCPSA-N 0 3 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C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCC)CCN1CCCC1 ZINC000425883110 405326755 /nfs/dbraw/zinc/32/67/55/405326755.db2.gz VQCLKPISUZDHNC-HOTGVXAUSA-N 0 3 309.454 2.095 10 30 DEEEHN C=CCN1CCC(NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000454554862 405363563 /nfs/dbraw/zinc/36/35/63/405363563.db2.gz XKZKQYNKZJJIEO-YEWFCNIMSA-N 0 3 315.461 2.490 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)c2ncc3c(F)cccn32)CC1 ZINC000528449544 405611855 /nfs/dbraw/zinc/61/18/55/405611855.db2.gz NUNZXFXNUDDGLJ-UHFFFAOYSA-N 0 3 316.380 2.244 10 30 DEEEHN C=CCOc1ccccc1CN[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000583504476 405750575 /nfs/dbraw/zinc/75/05/75/405750575.db2.gz SFSDMTNUBFNERJ-NVXWUHKLSA-N 0 3 307.434 2.499 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC(OC(C)(C)CC)C2)CC1 ZINC000636740346 406069040 /nfs/dbraw/zinc/06/90/40/406069040.db2.gz PQGWDGFUUFZCQQ-UHFFFAOYSA-N 0 3 309.454 2.236 10 30 DEEEHN C=CCN1CC[C@@H](N(C)CC/C=C\c2cncc(OC)c2)C1=O ZINC000565477906 406073412 /nfs/dbraw/zinc/07/34/12/406073412.db2.gz 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C=CC[C@H]1CCN(CC(=O)NCc2ccccc2COC)C1 ZINC000625702601 365876478 /nfs/dbraw/zinc/87/64/78/365876478.db2.gz ZSKXSNVYKGENJD-HNNXBMFYSA-N 0 3 302.418 2.347 10 30 DEEEHN Cc1cc(C(=O)N2CCS[C@H](C)[C@@H]2C)sc1C#CCN ZINC000133662871 186004446 /nfs/dbraw/zinc/00/44/46/186004446.db2.gz VWUIKBFTRQSLSP-NWDGAFQWSA-N 0 3 308.472 2.333 10 30 DEEEHN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(F)cc1C#CCN ZINC000133676918 186005702 /nfs/dbraw/zinc/00/57/02/186005702.db2.gz XYMPCSCSYRVMFJ-NEPJUHHUSA-N 0 3 306.406 2.102 10 30 DEEEHN CC#CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249103074 539778765 /nfs/dbraw/zinc/77/87/65/539778765.db2.gz OJQILACKUZPUCF-HUUCEWRRSA-N 0 3 324.346 2.436 10 30 DEEEHN N#Cc1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000277226410 213380067 /nfs/dbraw/zinc/38/00/67/213380067.db2.gz SHPQSDFMZZBFNF-QGZVFWFLSA-N 0 3 323.400 2.051 10 30 DEEEHN C=CCc1ccc(OCC(=O)N[C@@H]2CCCN(C)C2)c(OC)c1 ZINC000617411165 363124636 /nfs/dbraw/zinc/12/46/36/363124636.db2.gz CJHMRWDEDAGWDQ-OAHLLOKOSA-N 0 3 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ZINC000072004521 191032910 /nfs/dbraw/zinc/03/29/10/191032910.db2.gz JLXKVYYSIOGGLQ-UHFFFAOYSA-N 0 3 323.396 2.429 10 30 DEEEHN C=CCCCN(C)S(=O)(=O)c1cc(CNC)cc(F)c1F ZINC000139324091 186021379 /nfs/dbraw/zinc/02/13/79/186021379.db2.gz DUFKXTSEUWKOFW-UHFFFAOYSA-N 0 3 318.389 2.271 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171441843 186160835 /nfs/dbraw/zinc/16/08/35/186160835.db2.gz OJZQNHRULVAEBA-GOEBONIOSA-N 0 3 313.401 2.022 10 30 DEEEHN C=CCC[C@H](CN1CCCOCC1)Oc1ncc(CC)cn1 ZINC000072423786 191157901 /nfs/dbraw/zinc/15/79/01/191157901.db2.gz ZVUPCKBARDCTDM-MRXNPFEDSA-N 0 3 305.422 2.475 10 30 DEEEHN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000173905178 198266813 /nfs/dbraw/zinc/26/68/13/198266813.db2.gz GUNBUBCEOQVLHD-ZDUSSCGKSA-N 0 3 305.353 2.006 10 30 DEEEHN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3CC([N+](=O)[O-])[C@H]2C3)cc1 ZINC000004368274 181103011 /nfs/dbraw/zinc/10/30/11/181103011.db2.gz DBUTUPHCSIRUQR-IGHBBLSQSA-N 0 3 311.359 2.144 10 30 DEEEHN C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000584807925 357312438 /nfs/dbraw/zinc/31/24/38/357312438.db2.gz UEWGJFWDVXCNFQ-OAHLLOKOSA-N 0 3 324.432 2.199 10 30 DEEEHN N#Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccn1 ZINC000588003206 357387423 /nfs/dbraw/zinc/38/74/23/357387423.db2.gz YURQYWFMLDJZFW-KRWDZBQOSA-N 0 3 300.406 2.034 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168351 357844604 /nfs/dbraw/zinc/84/46/04/357844604.db2.gz KOHVDKKHQVAYDA-YJNKXOJESA-N 0 3 314.495 2.298 10 30 DEEEHN C=CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185240060 199829780 /nfs/dbraw/zinc/82/97/80/199829780.db2.gz RUTGBSLRSATNEH-KGLIPLIRSA-N 0 3 323.462 2.121 10 30 DEEEHN C=CCSCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595233795 358404148 /nfs/dbraw/zinc/40/41/48/358404148.db2.gz BOGBFORGJWTUIK-HNNXBMFYSA-N 0 3 321.446 2.388 10 30 DEEEHN N#CC1CCC(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000619658502 363849647 /nfs/dbraw/zinc/84/96/47/363849647.db2.gz AWYPRWXRBWTOFL-ZBCRRDGASA-N 0 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ZINC000568411167 406218206 /nfs/dbraw/zinc/21/82/06/406218206.db2.gz JIWRUFRAEYIUMK-LJQANCHMSA-N 0 3 316.445 2.486 10 30 DEEEHN C=CCOc1ccc(CNC[C@@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000634714285 406241108 /nfs/dbraw/zinc/24/11/08/406241108.db2.gz JCSDMCKNKCLETO-FUHWJXTLSA-N 0 3 305.418 2.253 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000637320817 406257673 /nfs/dbraw/zinc/25/76/73/406257673.db2.gz AEIZPBINJJBOBV-MRXNPFEDSA-N 0 3 322.497 2.010 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000637323978 406258766 /nfs/dbraw/zinc/25/87/66/406258766.db2.gz ODSIGPHAOIYENT-UHFFFAOYSA-N 0 3 309.454 2.095 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCn3nccc32)CC1 ZINC000632987092 406345934 /nfs/dbraw/zinc/34/59/34/406345934.db2.gz XREUHLRJKYNDID-HNNXBMFYSA-N 0 3 317.437 2.058 10 30 DEEEHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638409942 406754588 /nfs/dbraw/zinc/75/45/88/406754588.db2.gz SYABZYNEAXLPNI-SJLPKXTDSA-N 0 3 315.461 2.260 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C(C)C)nn1)C(C)C ZINC000340303219 275425660 /nfs/dbraw/zinc/42/56/60/275425660.db2.gz VIXLEUNOXKOOTE-INIZCTEOSA-N 0 3 319.453 2.287 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000451608484 275751586 /nfs/dbraw/zinc/75/15/86/275751586.db2.gz SJJDEKCFVZUKAS-NFAWXSAZSA-N 0 3 318.442 2.447 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1COCC1(C)C)C(C)C ZINC000455480817 277848680 /nfs/dbraw/zinc/84/86/80/277848680.db2.gz CCDCJDOBKPLCSY-JKSUJKDBSA-N 0 3 323.481 2.409 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246863242 519693406 /nfs/dbraw/zinc/69/34/06/519693406.db2.gz FRFDKXIJPBOXOX-QMTHXVAHSA-N 0 3 307.344 2.295 10 30 DEEEHN Cc1cc(N2CCC[C@@H](NCc3cc(C#N)n(C)c3)C2)nc(C)n1 ZINC000365163793 525069820 /nfs/dbraw/zinc/06/98/20/525069820.db2.gz QAGCHYZFXPYRAI-MRXNPFEDSA-N 0 3 324.432 2.062 10 30 DEEEHN CC(=O)N(C)c1cccc(NC(=O)NCC2=CCN(C)CC2)c1 ZINC000330685269 526478290 /nfs/dbraw/zinc/47/82/90/526478290.db2.gz 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C=CC[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000186934016 200032953 /nfs/dbraw/zinc/03/29/53/200032953.db2.gz ZSGOCSQHGWECBY-ROUUACIJSA-N 0 3 316.445 2.309 10 30 DEEEHN CCCCN(C)CCNC(=O)NCc1ccc(C#N)cc1F ZINC000609573162 361322510 /nfs/dbraw/zinc/32/25/10/361322510.db2.gz ZXXOTOVVOSXMEO-UHFFFAOYSA-N 0 3 306.385 2.228 10 30 DEEEHN C=CC(C)(C)CCNCc1ccc(S(N)(=O)=O)cc1F ZINC000623592993 365093700 /nfs/dbraw/zinc/09/37/00/365093700.db2.gz NVPSVGGSSLRTNL-UHFFFAOYSA-N 0 3 300.399 2.165 10 30 DEEEHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cnc2ccc(C#N)cn12 ZINC000091892491 193123101 /nfs/dbraw/zinc/12/31/01/193123101.db2.gz QOGNSEGWQLBZFB-CVEARBPZSA-N 0 3 309.417 2.265 10 30 DEEEHN COC(=O)c1sccc1NC(=O)c1csc(C#CCN)c1 ZINC000093975814 193332648 /nfs/dbraw/zinc/33/26/48/193332648.db2.gz ZPADVQCHLVTADS-UHFFFAOYSA-N 0 3 320.395 2.159 10 30 DEEEHN COCCN(CC(C)C)C(=O)c1cc(C)c(C#CCN)s1 ZINC000094536516 193377990 /nfs/dbraw/zinc/37/79/90/193377990.db2.gz LPFVDQHPPFGUKR-UHFFFAOYSA-N 0 3 308.447 2.111 10 30 DEEEHN C#CCN(C)S(=O)(=O)c1cc(CNC(C)C)ccc1Cl ZINC000159884346 197371292 /nfs/dbraw/zinc/37/12/92/197371292.db2.gz XSKDGWGOVHOLJM-UHFFFAOYSA-N 0 3 314.838 2.092 10 30 DEEEHN N#Cc1cncc2cccc(OC3CCN(CCCO)CC3)c12 ZINC000038609470 183004481 /nfs/dbraw/zinc/00/44/81/183004481.db2.gz XTLVLLIEEPZTSB-UHFFFAOYSA-N 0 3 311.385 2.332 10 30 DEEEHN CCCO[C@H]1CCCN(C(=O)c2ccc(C#CCN)s2)C1 ZINC000042426650 183269151 /nfs/dbraw/zinc/26/91/51/183269151.db2.gz HWFBASJRKPNRMA-ZDUSSCGKSA-N 0 3 306.431 2.090 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2cccc(C#CCN)c2C)CCS1 ZINC000157979566 197231676 /nfs/dbraw/zinc/23/16/76/197231676.db2.gz NWQQEFRPJVOEGB-OAHLLOKOSA-N 0 3 302.443 2.273 10 30 DEEEHN C=CCN1CC[C@H]2[C@H]1CCN2C(=O)Cc1cccc(OC)c1 ZINC000247918151 257115166 /nfs/dbraw/zinc/11/51/66/257115166.db2.gz WRLCKYMZNSJEBH-SJORKVTESA-N 0 3 300.402 2.099 10 30 DEEEHN C[C@@H](NCC1(N2CCOCC2)CC1)c1ccc(C#N)cc1F ZINC000447598370 533363423 /nfs/dbraw/zinc/36/34/23/533363423.db2.gz HWKYWVQRWYYWKO-CYBMUJFWSA-N 0 3 303.381 2.213 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000247310061 145133027 /nfs/dbraw/zinc/13/30/27/145133027.db2.gz LWIZMJQYRJLXLN-RHSMWYFYSA-N 0 3 314.433 2.428 10 30 DEEEHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(C#N)cc1 ZINC000131615668 401853779 /nfs/dbraw/zinc/85/37/79/401853779.db2.gz MMLNSWOKUVXZRI-CQSZACIVSA-N 0 3 318.380 2.446 10 30 DEEEHN CC(C)CN(C(=O)c1cc(C#N)cn1C)C1CCN(C)CC1 ZINC000081758694 401898230 /nfs/dbraw/zinc/89/82/30/401898230.db2.gz BMQWXTFAQCMHHB-UHFFFAOYSA-N 0 3 302.422 2.089 10 30 DEEEHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CCN1C ZINC000089815121 401966078 /nfs/dbraw/zinc/96/60/78/401966078.db2.gz BKYIVCJIKQWSKE-ZBFHGGJFSA-N 0 3 315.417 2.073 10 30 DEEEHN C=CCOc1ccccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000093664530 402018113 /nfs/dbraw/zinc/01/81/13/402018113.db2.gz NAOKVYQWNYJGCA-KRWDZBQOSA-N 0 3 316.445 2.406 10 30 DEEEHN CN(c1cnc(C#N)cn1)C1CCN(Cc2ccccc2)CC1 ZINC000185417779 402351118 /nfs/dbraw/zinc/35/11/18/402351118.db2.gz DZWADLKTBVOHSW-UHFFFAOYSA-N 0 3 307.401 2.449 10 30 DEEEHN C=CC[C@H](CO)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185883745 402385893 /nfs/dbraw/zinc/38/58/93/402385893.db2.gz KPKSOUABYYHJIN-NVXWUHKLSA-N 0 3 320.408 2.091 10 30 DEEEHN CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171081734 402555849 /nfs/dbraw/zinc/55/58/49/402555849.db2.gz RYFLVACTGAJEJR-ZDUSSCGKSA-N 0 3 302.378 2.125 10 30 DEEEHN N#Cc1ccc2nc(NC[C@@H](O)CN3CCCCC3)ccc2c1 ZINC000179886950 402602823 /nfs/dbraw/zinc/60/28/23/402602823.db2.gz GWVHWDKPCAXCTG-MRXNPFEDSA-N 0 3 310.401 2.365 10 30 DEEEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)cn1C ZINC000181027438 402633221 /nfs/dbraw/zinc/63/32/21/402633221.db2.gz OFVSFQVTGONQLL-CQSZACIVSA-N 0 3 310.401 2.147 10 30 DEEEHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCCN(C2CC2)CC1 ZINC000172347663 402651339 /nfs/dbraw/zinc/65/13/39/402651339.db2.gz FKVIATSVFDJFHY-AWEZNQCLSA-N 0 3 312.417 2.055 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)N[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017479 403276721 /nfs/dbraw/zinc/27/67/21/403276721.db2.gz 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404353789 /nfs/dbraw/zinc/35/37/89/404353789.db2.gz YFVZBMOAEFTOMV-BBRMVZONSA-N 0 3 315.417 2.477 10 30 DEEEHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329709314 404429067 /nfs/dbraw/zinc/42/90/67/404429067.db2.gz LNRYDUMJVGUSTO-ARLBYUKCSA-N 0 3 308.422 2.011 10 30 DEEEHN CCc1nc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cs1 ZINC000329709632 404429716 /nfs/dbraw/zinc/42/97/16/404429716.db2.gz NEHLMIOLOGSJKJ-LLVKDONJSA-N 0 3 308.451 2.360 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)Nc2cn(C)nc2C2CC2)CC1 ZINC000291983319 404611941 /nfs/dbraw/zinc/61/19/41/404611941.db2.gz FTSRBSFKYUMSCU-UHFFFAOYSA-N 0 3 317.437 2.460 10 30 DEEEHN C=C(C)Cn1c(CC2CC2)nnc1N1CCCN(CC)CC1 ZINC000358947982 404779860 /nfs/dbraw/zinc/77/98/60/404779860.db2.gz DNFXQHPEBQDOOM-UHFFFAOYSA-N 0 3 303.454 2.339 10 30 DEEEHN CCOC(=O)[C@@H]1CN(CCCCC(C)(C)C#N)CC12COC2 ZINC000451131234 404875338 /nfs/dbraw/zinc/87/53/38/404875338.db2.gz GXKAETKLHBCRKL-AWEZNQCLSA-N 0 3 308.422 2.218 10 30 DEEEHN C=CCN1CCC(NC(=O)N(C)Cc2cnccc2C)CC1 ZINC000353725771 404941946 /nfs/dbraw/zinc/94/19/46/404941946.db2.gz SWUWSBCTTVSPCR-UHFFFAOYSA-N 0 3 302.422 2.182 10 30 DEEEHN N#Cc1nccc(NC[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000379673810 405027071 /nfs/dbraw/zinc/02/70/71/405027071.db2.gz RTQBOBNPZBJIAH-INIZCTEOSA-N 0 3 307.401 2.237 10 30 DEEEHN C=CCOc1ccc(CC(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000448956796 405472090 /nfs/dbraw/zinc/47/20/90/405472090.db2.gz RUBOBXSADTYYGD-GOSISDBHSA-N 0 3 314.429 2.347 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000564880241 406067438 /nfs/dbraw/zinc/06/74/38/406067438.db2.gz JGNVASUWHCEHGB-VGWMRTNUSA-N 0 3 309.454 2.140 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000632661976 406218816 /nfs/dbraw/zinc/21/88/16/406218816.db2.gz PRKKMALZQIHENU-HNNXBMFYSA-N 0 3 323.481 2.038 10 30 DEEEHN C=CCCCCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000569706852 406292983 /nfs/dbraw/zinc/29/29/83/406292983.db2.gz QKOCBOOEGDXPBO-UHFFFAOYSA-N 0 3 310.486 2.058 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000633016160 406354683 /nfs/dbraw/zinc/35/46/83/406354683.db2.gz IYFAHWUPDUBQTB-UHFFFAOYSA-N 0 3 303.406 2.192 10 30 DEEEHN C=CCC1(NC(=O)[C@H](N)CN(C)Cc2ccccc2)CCCC1 ZINC000638419283 406762207 /nfs/dbraw/zinc/76/22/07/406762207.db2.gz GGTQOTNEFJJASD-QGZVFWFLSA-N 0 3 315.461 2.451 10 30 DEEEHN NCC#Cc1ccc(F)c(C(=O)NCCCC(F)(F)F)c1 ZINC000131052287 196135416 /nfs/dbraw/zinc/13/54/16/196135416.db2.gz PZGJISNSDWGRKW-UHFFFAOYSA-N 0 3 302.271 2.208 10 30 DEEEHN NCC#Cc1cc(F)ccc1C(=O)NCCCC(F)(F)F ZINC000131053054 196136171 /nfs/dbraw/zinc/13/61/71/196136171.db2.gz DTBMDQHGCQDYOT-UHFFFAOYSA-N 0 3 302.271 2.208 10 30 DEEEHN C[C@H]1CNC[C@@H](COc2cc(Br)ccc2C#N)O1 ZINC000133425199 196330288 /nfs/dbraw/zinc/33/02/88/196330288.db2.gz BLAKFIHQQMCGSU-CABZTGNLSA-N 0 3 311.179 2.076 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(C2)CCCOC3)CC1 ZINC000367415337 275738766 /nfs/dbraw/zinc/73/87/66/275738766.db2.gz MMKIRZCJMZRUQW-GOSISDBHSA-N 0 3 321.465 2.239 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)[C@@H](C)CCC)CC1 ZINC000518777887 333162162 /nfs/dbraw/zinc/16/21/62/333162162.db2.gz BLSIWKUTQCGLLA-GOEBONIOSA-N 0 3 311.470 2.123 10 30 DEEEHN C#Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000297042058 335148622 /nfs/dbraw/zinc/14/86/22/335148622.db2.gz VBDHERXYHNFCNC-GOSISDBHSA-N 0 3 311.429 2.484 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1Cn1ccnc1C ZINC000178333019 337162055 /nfs/dbraw/zinc/16/20/55/337162055.db2.gz KKMZKLFCNBFBCV-INIZCTEOSA-N 0 3 304.438 2.081 10 30 DEEEHN C=CCOCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000378598402 526779622 /nfs/dbraw/zinc/77/96/22/526779622.db2.gz UQEMLFMULMLTDE-DOTOQJQBSA-N 0 3 317.433 2.151 10 30 DEEEHN C=CCOCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000378598404 526781045 /nfs/dbraw/zinc/78/10/45/526781045.db2.gz UQEMLFMULMLTDE-RDJZCZTQSA-N 0 3 317.433 2.151 10 30 DEEEHN C=CCOCCN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000378545024 526782490 /nfs/dbraw/zinc/78/24/90/526782490.db2.gz NAJALJZZGIWBCE-SJLPKXTDSA-N 0 3 304.434 2.068 10 30 DEEEHN C=CCCCCCN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000193336590 527131904 /nfs/dbraw/zinc/13/19/04/527131904.db2.gz JTUVXZHGMUNMJR-LJQANCHMSA-N 0 3 323.525 2.460 10 30 DEEEHN C=CCCC[C@@H](C)N1CCN(Cc2nc(COC)no2)CC1 ZINC000444732285 527249046 /nfs/dbraw/zinc/24/90/46/527249046.db2.gz IKACNAMCFOZGGN-CQSZACIVSA-N 0 3 308.426 2.078 10 30 DEEEHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000251671531 527931697 /nfs/dbraw/zinc/93/16/97/527931697.db2.gz LZIHAUFGJPJNCH-INMHGKMJSA-N 0 3 317.437 2.011 10 30 DEEEHN C[C@](C#N)(NC(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)C1CC1 ZINC000585159111 635718506 /nfs/dbraw/zinc/71/85/06/635718506.db2.gz YSVZYOVBKSUOIL-FHFUIKRASA-N 0 3 301.434 2.163 10 30 DEEEHN C#CCN(CC#C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000752302344 639172083 /nfs/dbraw/zinc/17/20/83/639172083.db2.gz ITIWFIOBUPWDAF-CYBMUJFWSA-N 0 3 307.378 2.041 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800086688 799309033 /nfs/dbraw/zinc/30/90/33/799309033.db2.gz IMOJTZHGCRDNTA-QGZVFWFLSA-N 0 3 316.832 2.269 10 30 DEEEHN COc1ccc(C#CCN)cc1NC(=O)CCC(F)(F)F ZINC000088834271 185266749 /nfs/dbraw/zinc/26/67/49/185266749.db2.gz AJTCPBKLAFOWFO-UHFFFAOYSA-N 0 3 300.280 2.286 10 30 DEEEHN C=C(C)COc1cc(CNC[C@@H]2CCC(=O)N2)ccc1OC ZINC000076760277 539362272 /nfs/dbraw/zinc/36/22/72/539362272.db2.gz MKQDOBIJFFHEFS-AWEZNQCLSA-N 0 3 304.390 2.018 10 30 DEEEHN N#C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000108830498 185535373 /nfs/dbraw/zinc/53/53/73/185535373.db2.gz UVXCNADAWUWRMG-CYBMUJFWSA-N 0 3 314.345 2.227 10 30 DEEEHN C=CCOCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000371636981 404468311 /nfs/dbraw/zinc/46/83/11/404468311.db2.gz FLWCASAXGQJWHG-KRWDZBQOSA-N 0 3 317.433 2.153 10 30 DEEEHN C=CCOc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159608477 186130731 /nfs/dbraw/zinc/13/07/31/186130731.db2.gz BKAHOIZMTJNPAT-ZFWWWQNUSA-N 0 3 318.417 2.346 10 30 DEEEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CCN1C 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CC(=O)N1CC[C@@H](NC[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733498 359814326 /nfs/dbraw/zinc/81/43/26/359814326.db2.gz ZNLCVFXQENJBIR-GOEBONIOSA-N 0 3 313.401 2.129 10 30 DEEEHN CCNC(=O)N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394739 361590868 /nfs/dbraw/zinc/59/08/68/361590868.db2.gz ZGHKAUXQIQJCGK-RDJZCZTQSA-N 0 3 312.417 2.329 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1cncnc1)C(C)C ZINC000629947940 367389372 /nfs/dbraw/zinc/38/93/72/367389372.db2.gz YXIHTCZOVPNZRI-DOTOQJQBSA-N 0 3 316.449 2.395 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1nnc(C2CC2)o1)C(C)C ZINC000631325411 368149925 /nfs/dbraw/zinc/14/99/25/368149925.db2.gz YWXBYFJOANZIFM-AWEZNQCLSA-N 0 3 318.421 2.375 10 30 DEEEHN COCc1ccccc1NC(=O)c1csc(C#CCN)c1 ZINC000093976073 193332972 /nfs/dbraw/zinc/33/29/72/193332972.db2.gz WJJLJWCDNILRFY-UHFFFAOYSA-N 0 3 300.383 2.457 10 30 DEEEHN Cc1cc(C(=O)N(CCC#N)CC(C)C)sc1C#CCN ZINC000094536608 193378704 /nfs/dbraw/zinc/37/87/04/193378704.db2.gz WQVFUOOQHRHLGT-UHFFFAOYSA-N 0 3 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YMNNWRIGWFDJET-CQSZACIVSA-N 0 3 304.390 2.349 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000158937463 197312053 /nfs/dbraw/zinc/31/20/53/197312053.db2.gz FRFDKXIJPBOXOX-YGRLFVJLSA-N 0 3 307.344 2.295 10 30 DEEEHN CC[C@@H]1CN(Cc2ccc(OC)c(C#CCN)c2)CCS1 ZINC000158021760 197235576 /nfs/dbraw/zinc/23/55/76/197235576.db2.gz RTEOYADFCUYECH-MRXNPFEDSA-N 0 3 304.459 2.333 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2cc(C#CCN)ccc2F)CCS1 ZINC000157982242 197232856 /nfs/dbraw/zinc/23/28/56/197232856.db2.gz DBTRYFKFHZCRIU-CYBMUJFWSA-N 0 3 306.406 2.104 10 30 DEEEHN CC[C@H]1CN(C(=O)c2cc(F)ccc2C#CCN)CCS1 ZINC000157980305 197231696 /nfs/dbraw/zinc/23/16/96/197231696.db2.gz BJRSUNLASAAPCG-AWEZNQCLSA-N 0 3 306.406 2.104 10 30 DEEEHN Cc1ccc(C#CCN)cc1C(=O)NC[C@H]1CCCCS1 ZINC000156568667 197123800 /nfs/dbraw/zinc/12/38/00/197123800.db2.gz OPSGGKOUTPJKCB-OAHLLOKOSA-N 0 3 302.443 2.321 10 30 DEEEHN C=CCN1CCO[C@H]2CN(C(=O)c3sccc3C)CC[C@H]2C1 ZINC000253598576 257105430 /nfs/dbraw/zinc/10/54/30/257105430.db2.gz PEHRKZBVJXSKJG-GJZGRUSLSA-N 0 3 320.458 2.405 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000127885412 195918323 /nfs/dbraw/zinc/91/83/23/195918323.db2.gz HHYFHZVILWXAEJ-MRXNPFEDSA-N 0 3 305.422 2.181 10 30 DEEEHN C=CC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000111256315 401704308 /nfs/dbraw/zinc/70/43/08/401704308.db2.gz DAHGNCSLWLDQKE-AWEZNQCLSA-N 0 3 305.374 2.053 10 30 DEEEHN C=CCC[C@@H](CN1CCSCC1)Oc1ccc(N(C)C)nn1 ZINC000072469521 401709798 /nfs/dbraw/zinc/70/97/98/401709798.db2.gz RACYUBRHMGZUHD-AWEZNQCLSA-N 0 3 322.478 2.305 10 30 DEEEHN C=CCCCN(C)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000076734409 401799182 /nfs/dbraw/zinc/79/91/82/401799182.db2.gz QTASABHCAWEYGJ-LSDHHAIUSA-N 0 3 318.417 2.229 10 30 DEEEHN N#Cc1cccc(OCCN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152581875 402100979 /nfs/dbraw/zinc/10/09/79/402100979.db2.gz DDCNCEMCVKFMKK-SFHVURJKSA-N 0 3 309.369 2.485 10 30 DEEEHN C=CCNC(=O)CN1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000122232092 402067903 /nfs/dbraw/zinc/06/79/03/402067903.db2.gz KIZANSYDAGSLKH-UHFFFAOYSA-N 0 3 307.482 2.123 10 30 DEEEHN CC(C)c1noc(CCCNCc2cnc3ccc(C#N)cn23)n1 ZINC000123591134 402136623 /nfs/dbraw/zinc/13/66/23/402136623.db2.gz GEJGZIXGIVOSEM-UHFFFAOYSA-N 0 3 324.388 2.435 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160767613 402359830 /nfs/dbraw/zinc/35/98/30/402359830.db2.gz WEKQMWXODVOKDX-LZLYRXPVSA-N 0 3 306.450 2.203 10 30 DEEEHN C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000188300223 402518941 /nfs/dbraw/zinc/51/89/41/402518941.db2.gz RAYLKAJVWIJTLF-CJNGLKHVSA-N 0 3 309.413 2.331 10 30 DEEEHN N#Cc1ccc(NC(=O)CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000246257671 402521474 /nfs/dbraw/zinc/52/14/74/402521474.db2.gz XVUIRMPTCBOIKY-KRWDZBQOSA-N 0 3 312.417 2.057 10 30 DEEEHN N#Cc1ccc([C@H](O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000248055830 402581525 /nfs/dbraw/zinc/58/15/25/402581525.db2.gz XHTGQRQAUKPYGI-KURKYZTESA-N 0 3 300.402 2.219 10 30 DEEEHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171551141 402593480 /nfs/dbraw/zinc/59/34/80/402593480.db2.gz CHURSKMDRQBOIX-QGZVFWFLSA-N 0 3 307.401 2.449 10 30 DEEEHN CO[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[C@H]1C ZINC000252038761 402652383 /nfs/dbraw/zinc/65/23/83/402652383.db2.gz ZAEXKQCTLKNBHI-DGCLKSJQSA-N 0 3 307.419 2.305 10 30 DEEEHN C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000174194713 402731060 /nfs/dbraw/zinc/73/10/60/402731060.db2.gz IPBSXETXULZADE-ZNMIVQPWSA-N 0 3 315.417 2.315 10 30 DEEEHN C=CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000184263879 402831460 /nfs/dbraw/zinc/83/14/60/402831460.db2.gz JCQGUPDHJPDEJP-LBPRGKRZSA-N 0 3 300.196 2.490 10 30 DEEEHN C=CCc1cc(CN[C@](C)(CCO)COC)cc(OC)c1O ZINC000175852828 402838069 /nfs/dbraw/zinc/83/80/69/402838069.db2.gz UAKFAVDANGDCHY-QGZVFWFLSA-N 0 3 309.406 2.006 10 30 DEEEHN C=CCCCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000343212456 403497125 /nfs/dbraw/zinc/49/71/25/403497125.db2.gz OGYJWZFUEOZUCT-OAHLLOKOSA-N 0 3 323.481 2.038 10 30 DEEEHN C#CCC(CC#C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000288259854 403743996 /nfs/dbraw/zinc/74/39/96/403743996.db2.gz FSNXKSVFILNPAK-APWZRJJASA-N 0 3 308.425 2.428 10 30 DEEEHN CC(C)c1noc(OCC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000328665787 404126713 /nfs/dbraw/zinc/12/67/13/404126713.db2.gz ZMVGXHMKNWIWAS-UHFFFAOYSA-N 0 3 308.382 2.155 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@@H](CO)c2sccc2C)CC1 ZINC000352160917 404183857 /nfs/dbraw/zinc/18/38/57/404183857.db2.gz QXPPYCJAZDYTHG-AWEZNQCLSA-N 0 3 323.462 2.040 10 30 DEEEHN CCN1CCC[C@H](NC(=O)CN2c3ccccc3CCC2=O)C1 ZINC000329356868 404312748 /nfs/dbraw/zinc/31/27/48/404312748.db2.gz HEROGFHANZHNDP-HNNXBMFYSA-N 0 3 315.417 2.407 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CCCOC2)C1 ZINC000355784186 404365952 /nfs/dbraw/zinc/36/59/52/404365952.db2.gz OLIXQKGPPFSPDG-FUHWJXTLSA-N 0 3 306.450 2.468 10 30 DEEEHN CC(=O)N[C@@H](CC(=O)N1CCN2CCC1CC2)c1cccs1 ZINC000329528629 404366509 /nfs/dbraw/zinc/36/65/09/404366509.db2.gz UROKYODAKIQEMM-AWEZNQCLSA-N 0 3 321.446 2.462 10 30 DEEEHN C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000355928433 404378043 /nfs/dbraw/zinc/37/80/43/404378043.db2.gz ATDCGYVLNSXYPK-RBUKOAKNSA-N 0 3 316.445 2.484 10 30 DEEEHN C[C@H](NC(=O)C(C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081509 404753314 /nfs/dbraw/zinc/75/33/14/404753314.db2.gz WXKPJYSMKJCWPU-XJKSGUPXSA-N 0 3 308.385 2.453 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CN(C)C ZINC000358524037 404766244 /nfs/dbraw/zinc/76/62/44/404766244.db2.gz MDOFOTXJCNYVRP-ZDUSSCGKSA-N 0 3 320.393 2.243 10 30 DEEEHN C#Cc1ccc(CN2C[C@@H](OC)C[C@@H]2CC(=O)OCC)cc1 ZINC000367297875 405002104 /nfs/dbraw/zinc/00/21/04/405002104.db2.gz AKDLACZAKJGLQV-SJORKVTESA-N 0 3 301.386 2.210 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000438849038 405256023 /nfs/dbraw/zinc/25/60/23/405256023.db2.gz JDLNUSASPJHGEF-JKSUJKDBSA-N 0 3 321.465 2.095 10 30 DEEEHN C=CCN1CCC(NC(=O)NC[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000446589697 405385612 /nfs/dbraw/zinc/38/56/12/405385612.db2.gz BIIMXUDECYFVSV-GOSISDBHSA-N 0 3 323.481 2.267 10 30 DEEEHN C=CCOc1ccccc1CNC[C@@H]1CCCCN1CCO ZINC000449398347 405545430 /nfs/dbraw/zinc/54/54/30/405545430.db2.gz XYEKZGQKWCABQM-KRWDZBQOSA-N 0 3 304.434 2.188 10 30 DEEEHN C=CC[C@@H](CO)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639043803 405839937 /nfs/dbraw/zinc/83/99/37/405839937.db2.gz AFDGSYNYGRWFIW-JTQLQIEISA-N 0 3 303.328 2.265 10 30 DEEEHN CN(CCNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000531384489 405950187 /nfs/dbraw/zinc/95/01/87/405950187.db2.gz ROEWKGHSZRGBRA-UHFFFAOYSA-N 0 3 307.397 2.349 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000632640442 406209229 /nfs/dbraw/zinc/20/92/29/406209229.db2.gz OXUNWFMZEVQJQZ-HNNXBMFYSA-N 0 3 323.481 2.036 10 30 DEEEHN C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000568531720 406219283 /nfs/dbraw/zinc/21/92/83/406219283.db2.gz MATOYGDEEPXWMB-OAHLLOKOSA-N 0 3 323.481 2.038 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000633078933 406373324 /nfs/dbraw/zinc/37/33/24/406373324.db2.gz QBKQZCHUHVWLQB-INIZCTEOSA-N 0 3 324.513 2.162 10 30 DEEEHN C=CCNc1ncc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)s1 ZINC000129650297 196065089 /nfs/dbraw/zinc/06/50/89/196065089.db2.gz OCLJPVQWGJUBRK-QWHCGFSZSA-N 0 3 320.462 2.440 10 30 DEEEHN C#CCN(CCC)S(=O)(=O)c1cccc(CNCC)c1C ZINC000132270191 196240516 /nfs/dbraw/zinc/24/05/16/196240516.db2.gz RRAKWQYQYTVWFK-UHFFFAOYSA-N 0 3 308.447 2.138 10 30 DEEEHN CCN(CCC#N)C(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000075831521 341185009 /nfs/dbraw/zinc/18/50/09/341185009.db2.gz RJYZYJNUQGPMLB-MRXNPFEDSA-N 0 3 307.438 2.172 10 30 DEEEHN CC(C)[C@](C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000247451192 341365048 /nfs/dbraw/zinc/36/50/48/341365048.db2.gz HNEJQLJCLLMSKL-AEFFLSMTSA-N 0 3 321.465 2.464 10 30 DEEEHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cccc(F)c3C#N)[C@@H]2C1 ZINC000577809033 341938122 /nfs/dbraw/zinc/93/81/22/341938122.db2.gz RKMRINSOJLAECX-YXJHDRRASA-N 0 3 315.392 2.434 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180618348 526583366 /nfs/dbraw/zinc/58/33/66/526583366.db2.gz AKXGCKYNPGGVJP-AWEZNQCLSA-N 0 3 319.453 2.163 10 30 DEEEHN C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000410735595 527116681 /nfs/dbraw/zinc/11/66/81/527116681.db2.gz YPNOTXLWDYZUIW-JKSUJKDBSA-N 0 3 323.481 2.132 10 30 DEEEHN C=CC[C@H](CO)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418486307 527199930 /nfs/dbraw/zinc/19/99/30/527199930.db2.gz IUBFBBAJAZKOLZ-IAGOWNOFSA-N 0 3 313.401 2.076 10 30 DEEEHN CCN1CCN([C@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358573101 535741702 /nfs/dbraw/zinc/74/17/02/535741702.db2.gz QRHUFVHCXOYVOU-CABCVRRESA-N 0 3 318.440 2.374 10 30 DEEEHN C=CCN1CCC(NC(=O)c2cc(Cl)nc(N(C)C)c2)CC1 ZINC000733151979 647893632 /nfs/dbraw/zinc/89/36/32/647893632.db2.gz OJZHXMUSZOHFEL-UHFFFAOYSA-N 0 3 322.840 2.181 10 30 DEEEHN C#CCCOc1ccc(CN2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000120824961 684101481 /nfs/dbraw/zinc/10/14/81/684101481.db2.gz YYESBMNHHNBDFX-KRWDZBQOSA-N 0 3 316.445 2.241 10 30 DEEEHN CN(C)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000123152897 684122759 /nfs/dbraw/zinc/12/27/59/684122759.db2.gz KJPFARYOUKZXLO-HNNXBMFYSA-N 0 3 309.373 2.191 10 30 DEEEHN N#CC(C(=O)CSCC(F)(F)F)C(=O)NC1CCCC1 ZINC000156152531 684284797 /nfs/dbraw/zinc/28/47/97/684284797.db2.gz CPOJZLBXQOYZTO-VIFPVBQESA-N 0 3 308.325 2.050 10 30 DEEEHN C#CCC[C@@H](O)CNCc1cccc(Br)c1F ZINC000717862862 1091339875 /nfs/dbraw/zinc/33/98/75/1091339875.db2.gz YIUOICNSTBRFMS-LLVKDONJSA-N 0 3 300.171 2.452 10 30 DEEEHN N#Cc1csc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)c1 ZINC000328654744 231288913 /nfs/dbraw/zinc/28/89/13/231288913.db2.gz XTSNDZWDKMADIN-STQMWFEESA-N 0 3 317.393 2.116 10 30 DEEEHN CC(C)c1nnsc1C(=O)Nc1ccccc1C#CCN ZINC000087443184 185225216 /nfs/dbraw/zinc/22/52/16/185225216.db2.gz HSTLCINEYBAETK-UHFFFAOYSA-N 0 3 300.387 2.224 10 30 DEEEHN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#CCN)cc1 ZINC000088310906 185245353 /nfs/dbraw/zinc/24/53/53/185245353.db2.gz UPRVXWOYCCSVBY-ZIAGYGMSSA-N 0 3 308.447 2.100 10 30 DEEEHN NCC#Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000088436899 185250470 /nfs/dbraw/zinc/25/04/70/185250470.db2.gz DMPMYLWJQLJZSY-JTQLQIEISA-N 0 3 316.348 2.473 10 30 DEEEHN C=CCN(CC)S(=O)(=O)c1cc(Cl)cc(CN)c1F ZINC000166062344 197687549 /nfs/dbraw/zinc/68/75/49/197687549.db2.gz FMRBYZGYCDGRPG-UHFFFAOYSA-N 0 3 306.790 2.134 10 30 DEEEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000108830062 185535209 /nfs/dbraw/zinc/53/52/09/185535209.db2.gz BJRMGAIHQRMVLD-ZANVPECISA-N 0 3 305.359 2.494 10 30 DEEEHN C=CCN(C1CC1)S(=O)(=O)c1cc(CNC)cc(F)c1F ZINC000139262761 186020931 /nfs/dbraw/zinc/02/09/31/186020931.db2.gz FYFMPOYHWLIBLZ-UHFFFAOYSA-N 0 3 316.373 2.023 10 30 DEEEHN C=CCN(C(=O)Nc1ccc2c(c1)OCCNC2)[C@H](C)COC ZINC000625939394 365964815 /nfs/dbraw/zinc/96/48/15/365964815.db2.gz XDAIYELKUSMHON-CYBMUJFWSA-N 0 3 319.405 2.223 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000078805289 355278734 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193059094 /nfs/dbraw/zinc/05/90/94/193059094.db2.gz AJYSUYYCFHDPLH-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN CN(Cc1ccccc1F)C(=O)c1csc(C#CCN)c1 ZINC000093975948 193332667 /nfs/dbraw/zinc/33/26/67/193332667.db2.gz OAGHHRQZVCCZFH-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN Cc1ncsc1CN(C)C(=O)c1csc(C#CCN)c1 ZINC000093976513 193332860 /nfs/dbraw/zinc/33/28/60/193332860.db2.gz QRFVMLJOOZDKJP-UHFFFAOYSA-N 0 3 305.428 2.095 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042364684 183259555 /nfs/dbraw/zinc/25/95/55/183259555.db2.gz MSTNZMMAHQPWBY-BJJXKVORSA-N 0 3 302.443 2.453 10 30 DEEEHN CC(C)CN(CCC#N)S(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000043419876 183361265 /nfs/dbraw/zinc/36/12/65/183361265.db2.gz OZJQOPSCFPQODG-ZDUSSCGKSA-N 0 3 309.435 2.267 10 30 DEEEHN OCCC#Cc1ccsc1CN1CC[C@H](N2CCCC2)C1 ZINC000062967952 184263685 /nfs/dbraw/zinc/26/36/85/184263685.db2.gz YXAIJSDCUORNNR-INIZCTEOSA-N 0 3 304.459 2.152 10 30 DEEEHN CC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1CCOC ZINC000120028732 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196306225 /nfs/dbraw/zinc/30/62/25/196306225.db2.gz JLSNUTQCNDQIDY-LLVKDONJSA-N 0 3 308.179 2.036 10 30 DEEEHN CN1CCC[C@@H](CNc2cc(C#N)ncn2)[C@H]1c1cccs1 ZINC000584328951 424989511 /nfs/dbraw/zinc/98/95/11/424989511.db2.gz YVBPLSLQLOFKKP-LRDDRELGSA-N 0 3 313.430 2.905 10 30 DEEEHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864685 279924230 /nfs/dbraw/zinc/92/42/30/279924230.db2.gz DRIRQSPYEBYISC-DOTOQJQBSA-N 0 3 315.417 2.124 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCc2cnc(CC)o2)CC1 ZINC000556550446 331714948 /nfs/dbraw/zinc/71/49/48/331714948.db2.gz AUGYVFWFOAWZSH-UHFFFAOYSA-N 0 3 306.410 2.077 10 30 DEEEHN C=CCNC(=O)CN1CCN(C[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000346138032 335380076 /nfs/dbraw/zinc/38/00/76/335380076.db2.gz JSKPWOAMXSOYAZ-DLBZAZTESA-N 0 3 307.482 2.123 10 30 DEEEHN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC)CC1 ZINC000453448356 534448574 /nfs/dbraw/zinc/44/85/74/534448574.db2.gz YKFGZLVZUWMNTF-HNNXBMFYSA-N 0 3 319.453 2.238 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCCC[C@H](CCOC)C2)CC1 ZINC000363820238 526426181 /nfs/dbraw/zinc/42/61/81/526426181.db2.gz MJTSWKJARWQNIH-MRXNPFEDSA-N 0 3 323.481 2.485 10 30 DEEEHN C=CCN1CC[C@H](N[C@@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959924 526513010 /nfs/dbraw/zinc/51/30/10/526513010.db2.gz WSCYOCUQILJCKX-HOCLYGCPSA-N 0 3 310.401 2.310 10 30 DEEEHN C=CCOc1ccc(CN2CCNC[C@@H]2c2nccn2C)cc1 ZINC000262025253 526869564 /nfs/dbraw/zinc/86/95/64/526869564.db2.gz NLZAUDMRKWHZEG-QGZVFWFLSA-N 0 3 312.417 2.131 10 30 DEEEHN C=CCOc1cccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000245753404 526901361 /nfs/dbraw/zinc/90/13/61/526901361.db2.gz OEBIOTCBFLGFHX-VQIMIIECSA-N 0 3 316.445 2.404 10 30 DEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCN(C)C ZINC000191955083 527258226 /nfs/dbraw/zinc/25/82/26/527258226.db2.gz OLFUXYGELVIJJH-UHFFFAOYSA-N 0 3 317.433 2.155 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1CCN2CCCC[C@H]2C1 ZINC000248357768 536884387 /nfs/dbraw/zinc/88/43/87/536884387.db2.gz PWRNUOKRXJOPJP-INIZCTEOSA-N 0 3 315.417 2.116 10 30 DEEEHN C[C@H](C#N)Oc1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162595824 625552069 /nfs/dbraw/zinc/55/20/69/625552069.db2.gz XOXJQUHZXUVDLY-CQSZACIVSA-N 0 3 315.417 2.278 10 30 DEEEHN N#CCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000172339915 646730813 /nfs/dbraw/zinc/73/08/13/646730813.db2.gz QQZYWADXAXEXNV-UHFFFAOYSA-N 0 3 317.352 2.398 10 30 DEEEHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000120081252 684091696 /nfs/dbraw/zinc/09/16/96/684091696.db2.gz QWTSNANOXBPNSQ-LLVKDONJSA-N 0 3 322.311 2.161 10 30 DEEEHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC1(O)CCC1 ZINC000625104643 365644564 /nfs/dbraw/zinc/64/45/64/365644564.db2.gz CSKNGUNIRGKHHD-MRXNPFEDSA-N 0 3 305.418 2.349 10 30 DEEEHN CC(C)c1nnsc1C(=O)Nc1ccc(C#CCN)cc1 ZINC000087443185 185225096 /nfs/dbraw/zinc/22/50/96/185225096.db2.gz VOEURXZYGOUCRE-UHFFFAOYSA-N 0 3 300.387 2.224 10 30 DEEEHN CCCc1nnsc1C(=O)Nc1cccc(C#CCN)c1 ZINC000087456367 185225528 /nfs/dbraw/zinc/22/55/28/185225528.db2.gz ZCSFLJNOBSFTFP-UHFFFAOYSA-N 0 3 300.387 2.053 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PUQKIRAZWZBWCL-INIZCTEOSA-N 0 3 320.433 2.070 10 30 DEEEHN COC(=O)CCN(Cc1cnc2ccc(C#N)cn12)CC(C)C ZINC000091922696 193126797 /nfs/dbraw/zinc/12/67/97/193126797.db2.gz SQAMOHYHCAKMJX-UHFFFAOYSA-N 0 3 314.389 2.227 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(C[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000630971394 367944025 /nfs/dbraw/zinc/94/40/25/367944025.db2.gz APJXHZHEOAQORB-GDBMZVCRSA-N 0 3 315.417 2.394 10 30 DEEEHN CC[C@@H](C)CN(CC)S(=O)(=O)c1cccc(C#CCN)c1 ZINC000093265095 193223111 /nfs/dbraw/zinc/22/31/11/193223111.db2.gz FDFVWTCOMKLAAU-CQSZACIVSA-N 0 3 308.447 2.054 10 30 DEEEHN C[C@@H](NCC(C)(C)S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000093523195 193262839 /nfs/dbraw/zinc/26/28/39/193262839.db2.gz QPOLDGYSMARTIB-GFCCVEGCSA-N 0 3 310.419 2.063 10 30 DEEEHN NCC#Cc1cc(C(=O)N2CCc3sccc3C2)cs1 ZINC000093975594 193333059 /nfs/dbraw/zinc/33/30/59/193333059.db2.gz XNJDTCRIUPDKFF-UHFFFAOYSA-N 0 3 302.424 2.318 10 30 DEEEHN C=CC[C@@H](N)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000160175511 197391847 /nfs/dbraw/zinc/39/18/47/197391847.db2.gz GMESQKJYHKXTSS-GFCCVEGCSA-N 0 3 307.781 2.309 10 30 DEEEHN CC[C@@H]1CN(Cc2cc(C#N)ccc2OC)CCN1CCOC ZINC000159927913 197373811 /nfs/dbraw/zinc/37/38/11/197373811.db2.gz XIVMDNNTIOHZOH-QGZVFWFLSA-N 0 3 317.433 2.109 10 30 DEEEHN C=CCOc1ccc(-c2nc(C#N)c(N3CCNCC3)o2)cc1 ZINC000040165750 183042887 /nfs/dbraw/zinc/04/28/87/183042887.db2.gz CWROOFPCNUDRNP-UHFFFAOYSA-N 0 3 310.357 2.188 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(OC)c(C#CCN)c2)CCS1 ZINC000158021897 197235630 /nfs/dbraw/zinc/23/56/30/197235630.db2.gz RTEOYADFCUYECH-INIZCTEOSA-N 0 3 304.459 2.333 10 30 DEEEHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000158002778 197233887 /nfs/dbraw/zinc/23/38/87/197233887.db2.gz BVOLQZFQUWSTNE-ZDUSSCGKSA-N 0 3 319.453 2.359 10 30 DEEEHN Cc1nccn1C[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000156645891 197130751 /nfs/dbraw/zinc/13/07/51/197130751.db2.gz PJMLUGDGSUJXLF-MSOLQXFVSA-N 0 3 310.401 2.261 10 30 DEEEHN Cc1c(C#CCN)cccc1C(=O)NC[C@H]1CCCCS1 ZINC000156567874 197123775 /nfs/dbraw/zinc/12/37/75/197123775.db2.gz KSMGDYQPCQRDPU-OAHLLOKOSA-N 0 3 302.443 2.321 10 30 DEEEHN C=CCN1CC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(OC)cc1 ZINC000247938830 257114487 /nfs/dbraw/zinc/11/44/87/257114487.db2.gz WMOFCZIHWWDKOM-SJORKVTESA-N 0 3 300.402 2.099 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(C)C ZINC000356356002 404471607 /nfs/dbraw/zinc/47/16/07/404471607.db2.gz XZWMQWJJURMICR-QBPKDAKJSA-N 0 3 306.450 2.226 10 30 DEEEHN Cn1ccnc1C[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000252744127 145200768 /nfs/dbraw/zinc/20/07/68/145200768.db2.gz VUTPIEIBMRLCAO-FUHWJXTLSA-N 0 3 324.428 2.280 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1C[C@H]2CCC[C@@H](C1)C2O ZINC000077316929 401810540 /nfs/dbraw/zinc/81/05/40/401810540.db2.gz JETDUKRJUMNVQK-MVVMVCHASA-N 0 3 316.401 2.038 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(OC)c(C#N)c2)CCN1CCOC ZINC000135050613 401925838 /nfs/dbraw/zinc/92/58/38/401925838.db2.gz LDFUXVKDBHPAQX-KRWDZBQOSA-N 0 3 317.433 2.109 10 30 DEEEHN C=C[C@H](CC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000135016371 401923842 /nfs/dbraw/zinc/92/38/42/401923842.db2.gz FOPNPBILRMPFEM-NVXWUHKLSA-N 0 3 302.418 2.135 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCOC1)C(C)C ZINC000106533192 402214026 /nfs/dbraw/zinc/21/40/26/402214026.db2.gz YYEASBWVTNFEOE-HZPDHXFCSA-N 0 3 309.454 2.115 10 30 DEEEHN CSCCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000229246724 402341309 /nfs/dbraw/zinc/34/13/09/402341309.db2.gz NGSJOQOESUMTGQ-UHFFFAOYSA-N 0 3 312.460 2.065 10 30 DEEEHN Cc1nc(C(=O)N[C@@H](C)CN2CCCCCC2)ccc1C#N ZINC000186248595 402415205 /nfs/dbraw/zinc/41/52/05/402415205.db2.gz JLZKHVIWNSFSAI-ZDUSSCGKSA-N 0 3 300.406 2.256 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178284523 402479760 /nfs/dbraw/zinc/47/97/60/402479760.db2.gz NCEYIJXDDNCKFX-DOTOQJQBSA-N 0 3 318.465 2.469 10 30 DEEEHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000179466200 402590965 /nfs/dbraw/zinc/59/09/65/402590965.db2.gz VIIFIQMEKYWBMX-ZBFHGGJFSA-N 0 3 311.389 2.406 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCCC[C@H]1C ZINC000249513737 402632238 /nfs/dbraw/zinc/63/22/38/402632238.db2.gz XYOCTBOOQDCYPN-CABCVRRESA-N 0 3 315.417 2.316 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1[C@H](C)CC(O)C[C@H]1C ZINC000191281454 402657002 /nfs/dbraw/zinc/65/70/02/402657002.db2.gz CYEKIRYBIXFZBX-CHWSQXEVSA-N 0 3 304.390 2.179 10 30 DEEEHN C=CCN(CCCN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000173581581 402704086 /nfs/dbraw/zinc/70/40/86/402704086.db2.gz ZUGJNFGNIFGTHQ-UHFFFAOYSA-N 0 3 319.405 2.305 10 30 DEEEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183115605 402740234 /nfs/dbraw/zinc/74/02/34/402740234.db2.gz SAHFASKIYADLGT-BFKWJSRZSA-N 0 3 321.465 2.463 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)N[C@H](Cc1ccccc1)C(N)=O ZINC000285208029 403279411 /nfs/dbraw/zinc/27/94/11/403279411.db2.gz TXJJGCQHYNEBIN-RBUKOAKNSA-N 0 3 306.409 2.307 10 30 DEEEHN C[C@H](CN1CCN(C)CC1)Nc1cc(C#N)nc2ccccc21 ZINC000301396959 403623774 /nfs/dbraw/zinc/62/37/74/403623774.db2.gz NKXYZALROBBUML-CQSZACIVSA-N 0 3 309.417 2.154 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](O)C1(C)C)C(C)C ZINC000361879197 403908101 /nfs/dbraw/zinc/90/81/01/403908101.db2.gz HSRBKGSOUVYZHD-JKSUJKDBSA-N 0 3 323.481 2.240 10 30 DEEEHN C[C@H](c1ccncc1)N1CCC(Nc2ccncc2C#N)CC1 ZINC000369559241 404142758 /nfs/dbraw/zinc/14/27/58/404142758.db2.gz GFVAMAXJRURVAI-CQSZACIVSA-N 0 3 307.401 2.408 10 30 DEEEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCO[C@H]1c1nccn1C ZINC000328957104 404182172 /nfs/dbraw/zinc/18/21/72/404182172.db2.gz PEWRDPFUFPBURB-RBSFLKMASA-N 0 3 320.437 2.329 10 30 DEEEHN Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000329508078 404360397 /nfs/dbraw/zinc/36/03/97/404360397.db2.gz AWQAXIRJAFFJCZ-WFASDCNBSA-N 0 3 319.453 2.184 10 30 DEEEHN C=C(CNC(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1 ZINC000353108792 404744818 /nfs/dbraw/zinc/74/48/18/404744818.db2.gz HEFCFJHYKGAUIR-KRWDZBQOSA-N 0 3 317.433 2.110 10 30 DEEEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccncc1C#N ZINC000367330804 405014943 /nfs/dbraw/zinc/01/49/43/405014943.db2.gz BKHOOODAXWKOGY-IBGZPJMESA-N 0 3 322.412 2.026 10 30 DEEEHN C=CCC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCOCC1 ZINC000424661618 405142166 /nfs/dbraw/zinc/14/21/66/405142166.db2.gz KPVFWRVRGKJQIJ-INIZCTEOSA-N 0 3 306.450 2.446 10 30 DEEEHN C[C@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000452126116 405185170 /nfs/dbraw/zinc/18/51/70/405185170.db2.gz QJYPQQYGDBRVGG-YOEHRIQHSA-N 0 3 322.412 2.290 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000424921859 405213031 /nfs/dbraw/zinc/21/30/31/405213031.db2.gz GQKLAICVFQQIEC-UAGQMJEPSA-N 0 3 306.450 2.491 10 30 DEEEHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cccc(F)c3C#N)[C@H]2C1 ZINC000577809034 405516061 /nfs/dbraw/zinc/51/60/61/405516061.db2.gz RKMRINSOJLAECX-ZVZYQTTQSA-N 0 3 315.392 2.434 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1ccnn1C)C(C)C ZINC000421768324 405639167 /nfs/dbraw/zinc/63/91/67/405639167.db2.gz DZVNIYZDYZUSPM-NVXWUHKLSA-N 0 3 318.465 2.338 10 30 DEEEHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)n1C ZINC000450070661 405727588 /nfs/dbraw/zinc/72/75/88/405727588.db2.gz ATDUYSLQWODISN-UHFFFAOYSA-N 0 3 316.430 2.162 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000637320551 406256689 /nfs/dbraw/zinc/25/66/89/406256689.db2.gz QDQOBEYERIPDQA-UHFFFAOYSA-N 0 3 311.470 2.341 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000637322029 406257658 /nfs/dbraw/zinc/25/76/58/406257658.db2.gz OEGARDBBAAKBRI-HNNXBMFYSA-N 0 3 311.470 2.341 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCCOC2)CC1 ZINC000527729040 406731347 /nfs/dbraw/zinc/73/13/47/406731347.db2.gz JXCFABJRGGJHEZ-OAHLLOKOSA-N 0 3 309.454 2.143 10 30 DEEEHN C=CC[C@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638409941 406755167 /nfs/dbraw/zinc/75/51/67/406755167.db2.gz SYABZYNEAXLPNI-FUHWJXTLSA-N 0 3 315.461 2.260 10 30 DEEEHN COc1ccc(C#CCN)c(CSc2nc(C)ns2)c1 ZINC000130982915 196129388 /nfs/dbraw/zinc/12/93/88/196129388.db2.gz IDOOHLAEMYAZKR-UHFFFAOYSA-N 0 3 305.428 2.458 10 30 DEEEHN Cc1cccc(C(=O)NCc2cc(C#CCN)cs2)c1F ZINC000132104963 196227082 /nfs/dbraw/zinc/22/70/82/196227082.db2.gz KXGYGIBIHLSRHP-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(C#N)c1 ZINC000193510100 225161713 /nfs/dbraw/zinc/16/17/13/225161713.db2.gz APIOCQBOFDOFSV-CYBMUJFWSA-N 0 3 301.309 2.330 10 30 DEEEHN N#CC[C@@H]1CC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000333747569 226110185 /nfs/dbraw/zinc/11/01/85/226110185.db2.gz YYUAMCMMYNNWBC-HOTGVXAUSA-N 0 3 319.449 2.220 10 30 DEEEHN Cc1cc(C#N)cc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601119904 422418849 /nfs/dbraw/zinc/41/88/49/422418849.db2.gz YNAUIDHCZCKIHN-IBGZPJMESA-N 0 3 322.412 2.311 10 30 DEEEHN N#Cc1cc(NC[C@H]2CCCCN2Cc2ccccc2)ncn1 ZINC000379661186 424907594 /nfs/dbraw/zinc/90/75/94/424907594.db2.gz DOTJMNHJKBTTTQ-QGZVFWFLSA-N 0 3 307.401 2.815 10 30 DEEEHN CCN1CCC(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000330113088 276358246 /nfs/dbraw/zinc/35/82/46/276358246.db2.gz CMCSBCMBAHFAHI-MAUKXSAKSA-N 0 3 323.481 2.054 10 30 DEEEHN C=CCN1CCC(NC(=O)c2ncc3cc(Cl)ccn32)CC1 ZINC000583702094 337094870 /nfs/dbraw/zinc/09/48/70/337094870.db2.gz JNPPGBZPCDXGDK-UHFFFAOYSA-N 0 3 318.808 2.368 10 30 DEEEHN C=CCN1CC[C@H](N2CCC[C@H]2Cc2ccccc2OC)C1=O ZINC000337145945 526507998 /nfs/dbraw/zinc/50/79/98/526507998.db2.gz XUXYKYCVIQPHRD-IRXDYDNUSA-N 0 3 314.429 2.489 10 30 DEEEHN C=CCN1CC[C@H](N[C@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000337175033 526515357 /nfs/dbraw/zinc/51/53/57/526515357.db2.gz HSIVWQIRXCKWGO-YESZJQIVSA-N 0 3 300.402 2.141 10 30 DEEEHN C=CCOCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000378598403 526779637 /nfs/dbraw/zinc/77/96/37/526779637.db2.gz UQEMLFMULMLTDE-NVXWUHKLSA-N 0 3 317.433 2.151 10 30 DEEEHN C=CCOc1cccnc1C(=O)NCCN1CCCC[C@@H]1C ZINC000341420596 526961260 /nfs/dbraw/zinc/96/12/60/526961260.db2.gz NRHQSTBHUKFAGG-AWEZNQCLSA-N 0 3 303.406 2.251 10 30 DEEEHN C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000294792526 527073509 /nfs/dbraw/zinc/07/35/09/527073509.db2.gz SUHDZQGSJRPRIR-FUHWJXTLSA-N 0 3 314.429 2.196 10 30 DEEEHN C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000294792525 527081595 /nfs/dbraw/zinc/08/15/95/527081595.db2.gz SUHDZQGSJRPRIR-AEFFLSMTSA-N 0 3 314.429 2.196 10 30 DEEEHN C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000410735591 527116977 /nfs/dbraw/zinc/11/69/77/527116977.db2.gz YPNOTXLWDYZUIW-CVEARBPZSA-N 0 3 323.481 2.132 10 30 DEEEHN C=CCCCN(C)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411264544 527180716 /nfs/dbraw/zinc/18/07/16/527180716.db2.gz WVUTXDFYXWUWBB-UHFFFAOYSA-N 0 3 317.433 2.420 10 30 DEEEHN C=CCCC[C@H](C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000340873085 527275437 /nfs/dbraw/zinc/27/54/37/527275437.db2.gz DCFYVFAISQFTMH-LSDHHAIUSA-N 0 3 314.437 2.380 10 30 DEEEHN CCN1CC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000334110406 527854698 /nfs/dbraw/zinc/85/46/98/527854698.db2.gz BGUYGXMFOBCOME-IKGGRYGDSA-N 0 3 312.417 2.029 10 30 DEEEHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118143022 684070214 /nfs/dbraw/zinc/07/02/14/684070214.db2.gz PMWVMHADPYROSM-GXTWGEPZSA-N 0 3 300.358 2.176 10 30 DEEEHN N#Cc1ccc2ncc(CNC[C@H](O)c3cccc(F)c3)n2c1 ZINC000123470008 684125213 /nfs/dbraw/zinc/12/52/13/684125213.db2.gz ITADIFLJBFLRQM-INIZCTEOSA-N 0 3 310.332 2.168 10 30 DEEEHN COc1ccc2c(CC(=O)C(C#N)C(=O)NC(C)C)coc2c1 ZINC000130835772 684192983 /nfs/dbraw/zinc/19/29/83/684192983.db2.gz LOXNVLXYJHVOBP-AWEZNQCLSA-N 0 3 314.341 2.217 10 30 DEEEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000135264330 684233683 /nfs/dbraw/zinc/23/36/83/684233683.db2.gz WLAUEILDLQDXAF-CYBMUJFWSA-N 0 3 320.368 2.334 10 30 DEEEHN COc1csc(C(=O)Nc2ccc(C#CCN)c(F)c2)c1 ZINC000162174359 197550269 /nfs/dbraw/zinc/55/02/69/197550269.db2.gz PPANNVVGLXAQPB-UHFFFAOYSA-N 0 3 304.346 2.458 10 30 DEEEHN C=CCNCC(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000092473980 185320744 /nfs/dbraw/zinc/32/07/44/185320744.db2.gz LRXMEYBQIAGMRQ-NSHDSACASA-N 0 3 311.223 2.272 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)c(C#CCN)c1 ZINC000133673269 186005130 /nfs/dbraw/zinc/00/51/30/186005130.db2.gz MZSFCJKNHOWNPS-ZIAGYGMSSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CCN(C)S(=O)(=O)c1cc(CNC(C)C)cc(F)c1F ZINC000139253122 186020615 /nfs/dbraw/zinc/02/06/15/186020615.db2.gz UACIBXPOVFXSNF-UHFFFAOYSA-N 0 3 318.389 2.269 10 30 DEEEHN C=CCN(C)S(=O)(=O)c1cc(CNC2CC2)cc(F)c1F ZINC000139255776 186020944 /nfs/dbraw/zinc/02/09/44/186020944.db2.gz LKBRWMUGRPPYKJ-UHFFFAOYSA-N 0 3 316.373 2.023 10 30 DEEEHN C=CCOc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159608621 186130588 /nfs/dbraw/zinc/13/05/88/186130588.db2.gz BKAHOIZMTJNPAT-UKRRQHHQSA-N 0 3 318.417 2.346 10 30 DEEEHN C=CC[C@H]1CCCC[C@H]1NC(=O)CCN1CCN(CC)CC1 ZINC000617040490 363006901 /nfs/dbraw/zinc/00/69/01/363006901.db2.gz VBVQXEIMAUDODU-DLBZAZTESA-N 0 3 307.482 2.265 10 30 DEEEHN C[C@H](NCC(=O)NC1CCN(C2CC2)CC1)c1cncc(F)c1 ZINC000329263055 539916347 /nfs/dbraw/zinc/91/63/47/539916347.db2.gz BOZGFWOBGVVXAO-LBPRGKRZSA-N 0 3 320.412 2.455 10 30 DEEEHN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC ZINC000329377854 539919272 /nfs/dbraw/zinc/91/92/72/539919272.db2.gz OSIVFNXGJQPWQY-QWHCGFSZSA-N 0 3 313.467 2.129 10 30 DEEEHN CN(C(=O)CNC(=O)C1CCCCC1)[C@@H]1CN2CCC1CC2 ZINC000329684582 539926927 /nfs/dbraw/zinc/92/69/27/539926927.db2.gz ZPMWOHRXTMLPNK-OAHLLOKOSA-N 0 3 307.438 2.076 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(C2CC2)CC1 ZINC000029782902 354115977 /nfs/dbraw/zinc/11/59/77/354115977.db2.gz IFVZGUHWDZNUGS-ZDUSSCGKSA-N 0 3 313.401 2.069 10 30 DEEEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(C#N)cc1F ZINC000105721227 355721180 /nfs/dbraw/zinc/72/11/80/355721180.db2.gz RCTKWQMDKRMHNJ-OAHLLOKOSA-N 0 3 320.412 2.473 10 30 DEEEHN C=CCOc1ccc(CN2CCN([C@H](CC)CO)CC2)cc1 ZINC000093739708 355686078 /nfs/dbraw/zinc/68/60/78/355686078.db2.gz KLLWWKUYSUUBRK-QGZVFWFLSA-N 0 3 304.434 2.140 10 30 DEEEHN CN(C)CCn1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180065542 356041293 /nfs/dbraw/zinc/04/12/93/356041293.db2.gz RFBYOVQMRUZOKH-UHFFFAOYSA-N 0 3 323.400 2.252 10 30 DEEEHN CCSCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000312392837 356412350 /nfs/dbraw/zinc/41/23/50/356412350.db2.gz LAQMAJDMXJXAHV-UHFFFAOYSA-N 0 3 312.460 2.065 10 30 DEEEHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328630130 356464176 /nfs/dbraw/zinc/46/41/76/356464176.db2.gz JBBFTAVHNBJAOM-OAHLLOKOSA-N 0 3 310.401 2.458 10 30 DEEEHN N#Cc1cnc2ccccc2c1NC[C@H](O)CN1CCCCC1 ZINC000174686414 283243258 /nfs/dbraw/zinc/24/32/58/283243258.db2.gz FDUNNLNXUADXFB-HNNXBMFYSA-N 0 3 310.401 2.365 10 30 DEEEHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000590703149 357586362 /nfs/dbraw/zinc/58/63/62/357586362.db2.gz PXMLYMWFEFMQOS-KRWDZBQOSA-N 0 3 313.401 2.146 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168350 357845090 /nfs/dbraw/zinc/84/50/90/357845090.db2.gz KOHVDKKHQVAYDA-TUVASFSCSA-N 0 3 314.495 2.298 10 30 DEEEHN CC(=O)N(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594428104 358266601 /nfs/dbraw/zinc/26/66/01/358266601.db2.gz ZGFOMQZHVSVXBI-OAHLLOKOSA-N 0 3 302.378 2.019 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000599363583 359478399 /nfs/dbraw/zinc/47/83/99/359478399.db2.gz RSBWZVLEEOHSKH-UHFFFAOYSA-N 0 3 320.389 2.145 10 30 DEEEHN C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000627687924 366592832 /nfs/dbraw/zinc/59/28/32/366592832.db2.gz GHAYDXADHUJZQL-UHFFFAOYSA-N 0 3 317.433 2.405 10 30 DEEEHN CN(C)CCN(Cc1cccs1)C(=O)c1ccnc(C#N)c1 ZINC000193479913 201059341 /nfs/dbraw/zinc/05/93/41/201059341.db2.gz IYHKRTOEHSQVQC-UHFFFAOYSA-N 0 3 314.414 2.219 10 30 DEEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193759352 201117993 /nfs/dbraw/zinc/11/79/93/201117993.db2.gz NSEZEYYJVGGXLF-AWEZNQCLSA-N 0 3 308.385 2.204 10 30 DEEEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(CCC#N)c1ccccc1 ZINC000193126551 299344068 /nfs/dbraw/zinc/34/40/68/299344068.db2.gz OHVHMGWDWSFYKI-YQQAZPJKSA-N 0 3 315.417 2.479 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000630966393 367940148 /nfs/dbraw/zinc/94/01/48/367940148.db2.gz XDINFIJPTJNOKI-HOTGVXAUSA-N 0 3 313.401 2.148 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(CCCN(C)Cc2ccccc2)C1=O ZINC000630965454 367940483 /nfs/dbraw/zinc/94/04/83/367940483.db2.gz RRFXOECSOWQDDG-MRXNPFEDSA-N 0 3 315.417 2.395 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(Cc2cccc(CN(C)C)c2)C1=O ZINC000630969979 367943107 /nfs/dbraw/zinc/94/31/07/367943107.db2.gz ISEXCVHOBRNXBM-OAHLLOKOSA-N 0 3 301.390 2.135 10 30 DEEEHN CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C#CCN)cc1 ZINC000093265090 193222459 /nfs/dbraw/zinc/22/24/59/193222459.db2.gz XIEQRCJQYYZVJD-AWEZNQCLSA-N 0 3 308.447 2.054 10 30 DEEEHN C[C@@H](CCc1ccco1)NC(=O)c1csc(C#CCN)c1 ZINC000093976114 193333307 /nfs/dbraw/zinc/33/33/07/193333307.db2.gz PXZQNRZTKYNOJM-LBPRGKRZSA-N 0 3 302.399 2.402 10 30 DEEEHN Cc1cc(C(=O)N(C)CCC(F)(F)F)sc1C#CCN ZINC000094536961 193377903 /nfs/dbraw/zinc/37/79/03/193377903.db2.gz BKRGKTVVUXTYEG-UHFFFAOYSA-N 0 3 304.337 2.391 10 30 DEEEHN C=CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC)CC1 ZINC000453448357 245148735 /nfs/dbraw/zinc/14/87/35/245148735.db2.gz YKFGZLVZUWMNTF-OAHLLOKOSA-N 0 3 319.453 2.238 10 30 DEEEHN C=CCN(C(C)(C)C)S(=O)(=O)c1ccc(CNC)s1 ZINC000159888998 197370861 /nfs/dbraw/zinc/37/08/61/197370861.db2.gz JSUYUHWIPMPOTR-UHFFFAOYSA-N 0 3 302.465 2.443 10 30 DEEEHN CCN(C[C@@H](C)C#N)S(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000042448368 183272251 /nfs/dbraw/zinc/27/22/51/183272251.db2.gz UPHMZQHYSSJJCS-QWHCGFSZSA-N 0 3 309.435 2.137 10 30 DEEEHN CC(C)CN(C(C)C)S(=O)(=O)c1ccccc1C#CCN ZINC000042598238 183289726 /nfs/dbraw/zinc/28/97/26/183289726.db2.gz QFRXFIFPNXTAKF-UHFFFAOYSA-N 0 3 308.447 2.052 10 30 DEEEHN OCCC#Cc1csc(CN2CC[C@@H](N3CCCC3)C2)c1 ZINC000062967939 184263354 /nfs/dbraw/zinc/26/33/54/184263354.db2.gz OZLGWJUUDBEFGW-MRXNPFEDSA-N 0 3 304.459 2.152 10 30 DEEEHN C=C(C)COc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000066214108 184397288 /nfs/dbraw/zinc/39/72/88/184397288.db2.gz BRAGZLLZKUKUGT-INIZCTEOSA-N 0 3 304.390 2.349 10 30 DEEEHN C=C(C)COc1cc(CN[C@H]2CCC(=O)N(C)C2)ccc1OC ZINC000119960311 195070342 /nfs/dbraw/zinc/07/03/42/195070342.db2.gz LHRNBFFSVFCBFE-HNNXBMFYSA-N 0 3 318.417 2.361 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247303387 145132477 /nfs/dbraw/zinc/13/24/77/145132477.db2.gz HBLSATPLBSKVOD-IJEWVQPXSA-N 0 3 315.417 2.124 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000247382767 145135459 /nfs/dbraw/zinc/13/54/59/145135459.db2.gz LOXNJVLDYRRDOR-YCPHGPKFSA-N 0 3 315.417 2.267 10 30 DEEEHN N#Cc1ccc([C@@H](O)CN2CCC(Cn3cccn3)CC2)cc1 ZINC000127472776 401736428 /nfs/dbraw/zinc/73/64/28/401736428.db2.gz BTVRORXCLMFAFO-SFHVURJKSA-N 0 3 310.401 2.200 10 30 DEEEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3cccc(C#N)c3)C2)cn1 ZINC000116311336 401848661 /nfs/dbraw/zinc/84/86/61/401848661.db2.gz LXFZATLQHULHFL-OAHLLOKOSA-N 0 3 323.400 2.110 10 30 DEEEHN CN1C[C@H](NCc2cccc(OCCCC#N)c2)CCC1=O ZINC000119963309 401973263 /nfs/dbraw/zinc/97/32/63/401973263.db2.gz PAMNLKWYWBKZFC-OAHLLOKOSA-N 0 3 301.390 2.080 10 30 DEEEHN N#Cc1ccc(OCCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152538705 402099661 /nfs/dbraw/zinc/09/96/61/402099661.db2.gz WTJWOCUYCVGPJN-SFHVURJKSA-N 0 3 309.369 2.485 10 30 DEEEHN C[C@H]1CN(Cc2ccccc2)CCCN1c1cnc(C#N)cn1 ZINC000125346889 402226758 /nfs/dbraw/zinc/22/67/58/402226758.db2.gz GTAWRQQOEUZXDO-HNNXBMFYSA-N 0 3 307.401 2.449 10 30 DEEEHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COC(C)(C)C ZINC000069520876 402228485 /nfs/dbraw/zinc/22/84/85/402228485.db2.gz JLVTUXAWHWOQDO-QGZVFWFLSA-N 0 3 320.433 2.183 10 30 DEEEHN C=CCN(Cc1ccccc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628961 402324787 /nfs/dbraw/zinc/32/47/87/402324787.db2.gz QHIHCENFTVLYTE-KRWDZBQOSA-N 0 3 322.474 2.346 10 30 DEEEHN Cc1cc(C#N)ccc1CN1CCCN(c2cccnn2)CC1 ZINC000186206320 402410362 /nfs/dbraw/zinc/41/03/62/402410362.db2.gz KUSBCWRKPBBITP-UHFFFAOYSA-N 0 3 307.401 2.369 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1CCN2CCCC[C@@H]2C1 ZINC000177751633 402432550 /nfs/dbraw/zinc/43/25/50/402432550.db2.gz PWRNUOKRXJOPJP-MRXNPFEDSA-N 0 3 315.417 2.116 10 30 DEEEHN CN(C)C(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000178293551 402481290 /nfs/dbraw/zinc/48/12/90/402481290.db2.gz LZMOZMFRGYQDBV-UHFFFAOYSA-N 0 3 315.417 2.127 10 30 DEEEHN CC(C)N1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000188365139 402519621 /nfs/dbraw/zinc/51/96/21/402519621.db2.gz MMFMRRUTAHBZMA-YOEHRIQHSA-N 0 3 311.429 2.435 10 30 DEEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1OCC#N ZINC000246532210 402535585 /nfs/dbraw/zinc/53/55/85/402535585.db2.gz IRHKPFOCZXIWPH-CABCVRRESA-N 0 3 313.401 2.288 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248075182 402582314 /nfs/dbraw/zinc/58/23/14/402582314.db2.gz MVPMGZWKHVEGEO-BQFCYCMXSA-N 0 3 308.466 2.427 10 30 DEEEHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2ccn[nH]2)CC1 ZINC000195506480 402848127 /nfs/dbraw/zinc/84/81/27/402848127.db2.gz MFMXTBMGZVLNQG-CYBMUJFWSA-N 0 3 323.400 2.488 10 30 DEEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000273454632 403006378 /nfs/dbraw/zinc/00/63/78/403006378.db2.gz PLDGWPFWQABITI-PWSUYJOCSA-N 0 3 319.373 2.271 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347778401 403862183 /nfs/dbraw/zinc/86/21/83/403862183.db2.gz CSMZXXDMQWLCHW-XHSDSOJGSA-N 0 3 308.466 2.304 10 30 DEEEHN CN1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)C1 ZINC000334093428 403909919 /nfs/dbraw/zinc/90/99/19/403909919.db2.gz POFOBNGQXQQAGS-YQQAZPJKSA-N 0 3 304.438 2.196 10 30 DEEEHN C#Cc1ccc(CN[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000290200737 404079719 /nfs/dbraw/zinc/07/97/19/404079719.db2.gz CZPVHMVGIJCAJX-LJQANCHMSA-N 0 3 306.409 2.457 10 30 DEEEHN CCn1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 ZINC000328615586 404114587 /nfs/dbraw/zinc/11/45/87/404114587.db2.gz AXVSWHZKCSDEFZ-HOCLYGCPSA-N 0 3 313.405 2.296 10 30 DEEEHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000344546126 404218741 /nfs/dbraw/zinc/21/87/41/404218741.db2.gz KNGHKQZETCFUJJ-LXZKKBNFSA-N 0 3 300.402 2.350 10 30 DEEEHN CCN1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328927889 404175196 /nfs/dbraw/zinc/17/51/96/404175196.db2.gz GDSQGQHKXMQBAT-IIAWOOMASA-N 0 3 320.437 2.329 10 30 DEEEHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000344514314 404195668 /nfs/dbraw/zinc/19/56/68/404195668.db2.gz MKLKGGHAFQMQER-YSVLISHTSA-N 0 3 300.402 2.350 10 30 DEEEHN C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000370006577 404301125 /nfs/dbraw/zinc/30/11/25/404301125.db2.gz CZFNTTZOSMUOQU-IAGOWNOFSA-N 0 3 315.461 2.274 10 30 DEEEHN C=CCn1c(CC(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000350729209 404452685 /nfs/dbraw/zinc/45/26/85/404452685.db2.gz IWIDVNCDDCXILJ-OAHLLOKOSA-N 0 3 303.454 2.336 10 30 DEEEHN CC(C)(C)n1cc(C(=O)NC2CC(N3CCCCC3)C2)nn1 ZINC000330073591 404544805 /nfs/dbraw/zinc/54/48/05/404544805.db2.gz ZZIFCQQSKOBVHM-UHFFFAOYSA-N 0 3 305.426 2.355 10 30 DEEEHN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC2CCN(CC)CC2)cn1 ZINC000330254271 404603515 /nfs/dbraw/zinc/60/35/15/404603515.db2.gz AUIUXHBVNLINNU-JKSUJKDBSA-N 0 3 320.437 2.421 10 30 DEEEHN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCCN2CCCCC2)cn1 ZINC000330325280 404627482 /nfs/dbraw/zinc/62/74/82/404627482.db2.gz JDLJCZVATUJCGC-JKSUJKDBSA-N 0 3 320.437 2.423 10 30 DEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H](C)CN ZINC000415415139 404859911 /nfs/dbraw/zinc/85/99/11/404859911.db2.gz HIAAXBAZXXZOQF-CYBMUJFWSA-N 0 3 317.433 2.283 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000451608482 405014919 /nfs/dbraw/zinc/01/49/19/405014919.db2.gz SJJDEKCFVZUKAS-GUTXKFCHSA-N 0 3 318.442 2.447 10 30 DEEEHN C=CCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCOCC1 ZINC000424808980 405184661 /nfs/dbraw/zinc/18/46/61/405184661.db2.gz LNJSUQHADZWKAW-MRXNPFEDSA-N 0 3 306.450 2.492 10 30 DEEEHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418762901 405197592 /nfs/dbraw/zinc/19/75/92/405197592.db2.gz MTBOLJLUTXRVIO-ZDUSSCGKSA-N 0 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308.834 2.276 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCCCC(F)(F)F)c(F)c1 ZINC000131054097 196135331 /nfs/dbraw/zinc/13/53/31/196135331.db2.gz BANLWAJIZMGRCB-UHFFFAOYSA-N 0 3 302.271 2.208 10 30 DEEEHN CN(C)C[C@@H]1CCCN1c1ncc(Br)cc1C#N ZINC000297338213 227029239 /nfs/dbraw/zinc/02/92/39/227029239.db2.gz AQRDREOTNPGKIG-LBPRGKRZSA-N 0 3 309.211 2.246 10 30 DEEEHN C=CCN(C(=O)NC[C@@H]1CCN1C1CCCC1)[C@@H](C)COC ZINC000637469638 424853273 /nfs/dbraw/zinc/85/32/73/424853273.db2.gz DFUFBNYNCFKWFC-HOCLYGCPSA-N 0 3 309.454 2.236 10 30 DEEEHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(C#N)cn1C ZINC000084251838 267381856 /nfs/dbraw/zinc/38/18/56/267381856.db2.gz PQXHVXYVWBGRFT-UHFFFAOYSA-N 0 3 316.430 2.162 10 30 DEEEHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)n2C)C1 ZINC000448943711 276878256 /nfs/dbraw/zinc/87/82/56/276878256.db2.gz AITCVAAVGBGZRE-HNNXBMFYSA-N 0 3 308.385 2.030 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]1COC)C(C)C ZINC000297076851 276891489 /nfs/dbraw/zinc/89/14/89/276891489.db2.gz LTTCRLMKGQQDAP-HZPDHXFCSA-N 0 3 309.454 2.115 10 30 DEEEHN COCCN1CCCC[C@@]12CC(=O)N(c1ccc(C#N)cc1)C2 ZINC000096089546 277219906 /nfs/dbraw/zinc/21/99/06/277219906.db2.gz PMIXCKHEHKJFBQ-SFHVURJKSA-N 0 3 313.401 2.166 10 30 DEEEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000329398269 279315515 /nfs/dbraw/zinc/31/55/15/279315515.db2.gz YCOBAHKMWAPAJK-GOEBONIOSA-N 0 3 319.453 2.345 10 30 DEEEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328839030 279315518 /nfs/dbraw/zinc/31/55/18/279315518.db2.gz UDHGLTBZRNPWDR-GJZGRUSLSA-N 0 3 309.454 2.324 10 30 DEEEHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008293 333156962 /nfs/dbraw/zinc/15/69/62/333156962.db2.gz DBBZODZFDHGNDY-MAUKXSAKSA-N 0 3 321.465 2.154 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000132465928 519691605 /nfs/dbraw/zinc/69/16/05/519691605.db2.gz INIKKLHXLWFDIN-PBHICJAKSA-N 0 3 314.433 2.428 10 30 DEEEHN C=CCN(CCOC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000250747639 526290425 /nfs/dbraw/zinc/29/04/25/526290425.db2.gz RHOSCUAOBRZWSI-IAGOWNOFSA-N 0 3 317.433 2.276 10 30 DEEEHN C#CCCCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000192025162 526678430 /nfs/dbraw/zinc/67/84/30/526678430.db2.gz CMKZDYDDLBUFHN-HOTGVXAUSA-N 0 3 306.450 2.138 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368161156 526800772 /nfs/dbraw/zinc/80/07/72/526800772.db2.gz RVPSBYDRITWIBW-ZQIUZPCESA-N 0 3 312.429 2.296 10 30 DEEEHN C=CC[C@@H](CC)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000341374596 527041399 /nfs/dbraw/zinc/04/13/99/527041399.db2.gz MDJSJIOZHHXHTB-CQSZACIVSA-N 0 3 318.421 2.277 10 30 DEEEHN C#CCOc1ccccc1CNCC1(O)Cc2ccccc2C1 ZINC000377771592 527127415 /nfs/dbraw/zinc/12/74/15/527127415.db2.gz OUTBGSFJFKTZDG-UHFFFAOYSA-N 0 3 307.393 2.318 10 30 DEEEHN C=CCCC[C@@H](C)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000340945062 527249023 /nfs/dbraw/zinc/24/90/23/527249023.db2.gz CBDHLIGUUGVMNC-CVEARBPZSA-N 0 3 324.465 2.465 10 30 DEEEHN C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000351164416 527308328 /nfs/dbraw/zinc/30/83/28/527308328.db2.gz JZZQEJNAQPEJBQ-HNNXBMFYSA-N 0 3 301.438 2.405 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441280843 527634767 /nfs/dbraw/zinc/63/47/67/527634767.db2.gz DFPDKJZDESEYGB-YESZJQIVSA-N 0 3 306.450 2.324 10 30 DEEEHN CCOCCN1CCN(c2ccc(C)c(C#N)n2)C[C@@H]1CC ZINC000302611430 528755173 /nfs/dbraw/zinc/75/51/73/528755173.db2.gz FBDWIMPBADFJQH-HNNXBMFYSA-N 0 3 302.422 2.199 10 30 DEEEHN CCC(CC)(CNCc1cnc2ccc(C#N)cn12)C(=O)OC ZINC000181569368 534984782 /nfs/dbraw/zinc/98/47/82/534984782.db2.gz UWHOPSKCCMHWRH-UHFFFAOYSA-N 0 3 314.389 2.275 10 30 DEEEHN C#CCOc1ccc(Br)cc1CNCC[C@@H](C)O ZINC000078781938 640649318 /nfs/dbraw/zinc/64/93/18/640649318.db2.gz DPWDFZHQTDEMHQ-LLVKDONJSA-N 0 3 312.207 2.322 10 30 DEEEHN C=CCc1cc(CN2CCC[C@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC000164138972 646419652 /nfs/dbraw/zinc/41/96/52/646419652.db2.gz YGFWPDLGLFPABA-INIZCTEOSA-N 0 3 318.417 2.230 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UPHGZKAETLJUJL-UHFFFAOYSA-N 0 3 305.378 2.451 10 30 DEEEHN C=CCOCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000618966982 363651100 /nfs/dbraw/zinc/65/11/00/363651100.db2.gz LSANSLVNFCBBPF-UHFFFAOYSA-N 0 3 311.389 2.151 10 30 DEEEHN C=CCC1(NCc2cccc(C(=O)OCC)n2)CCOCC1 ZINC000600179558 359678149 /nfs/dbraw/zinc/67/81/49/359678149.db2.gz BIWTZRDGSPRQMW-UHFFFAOYSA-N 0 3 304.390 2.473 10 30 DEEEHN C=C(C)C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(=O)OC ZINC000601788103 360150494 /nfs/dbraw/zinc/15/04/94/360150494.db2.gz QMLZRQOHVDZSCS-HZPDHXFCSA-N 0 3 318.417 2.303 10 30 DEEEHN C[C@H]1C[C@@H](NC(=O)c2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000193513618 201066289 /nfs/dbraw/zinc/06/62/89/201066289.db2.gz XKOTULFZVJADHK-KBXCAEBGSA-N 0 3 320.396 2.346 10 30 DEEEHN C=C[C@H](NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)C(=O)OC ZINC000619702774 363861330 /nfs/dbraw/zinc/86/13/30/363861330.db2.gz RTZQPVYHMCRAIM-YDHLFZDLSA-N 0 3 308.447 2.448 10 30 DEEEHN C=CCCOCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623809370 365181372 /nfs/dbraw/zinc/18/13/72/365181372.db2.gz AHEAEQVRUAXJFF-INIZCTEOSA-N 0 3 309.454 2.285 10 30 DEEEHN CSc1ccccc1C(=O)Nc1ncc(C#CCN)s1 ZINC000092232655 193177425 /nfs/dbraw/zinc/17/74/25/193177425.db2.gz UTOOAHUGBHXNGQ-UHFFFAOYSA-N 0 3 303.412 2.428 10 30 DEEEHN NCC#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 ZINC000061692080 184183271 /nfs/dbraw/zinc/18/32/71/184183271.db2.gz OFCBJGVPCHIYHF-UHFFFAOYSA-N 0 3 320.801 2.451 10 30 DEEEHN C#CC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000270197376 208262992 /nfs/dbraw/zinc/26/29/92/208262992.db2.gz DNNXAPGTVGAUSD-MSOLQXFVSA-N 0 3 309.413 2.407 10 30 DEEEHN CC1(C)CN(C(=O)c2cc(C#CCN)ccc2F)CCS1 ZINC000159029338 197320830 /nfs/dbraw/zinc/32/08/30/197320830.db2.gz JKWQDFLNPAAGCV-UHFFFAOYSA-N 0 3 306.406 2.104 10 30 DEEEHN NCC#Cc1cc(F)ccc1C(=O)NC[C@@H]1CCCCS1 ZINC000156568251 197124057 /nfs/dbraw/zinc/12/40/57/197124057.db2.gz UALGCMMTAZWYHN-AWEZNQCLSA-N 0 3 306.406 2.151 10 30 DEEEHN CCN1CCC[C@H](NC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000329871238 404477636 /nfs/dbraw/zinc/47/76/36/404477636.db2.gz CGDGKJUMTMCZEE-HNNXBMFYSA-N 0 3 313.401 2.442 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000127885199 401754027 /nfs/dbraw/zinc/75/40/27/401754027.db2.gz HHYFHZVILWXAEJ-INIZCTEOSA-N 0 3 305.422 2.181 10 30 DEEEHN CN(C)C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000128253878 401768855 /nfs/dbraw/zinc/76/88/55/401768855.db2.gz BNUHSZOZKWRDHO-SFHVURJKSA-N 0 3 317.433 2.132 10 30 DEEEHN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCCN1C ZINC000125791265 402250308 /nfs/dbraw/zinc/25/03/08/402250308.db2.gz BMVJWKIHHRCDOI-ZDUSSCGKSA-N 0 3 304.390 2.084 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000184587371 402279713 /nfs/dbraw/zinc/27/97/13/402279713.db2.gz ZVUDAEJRCOEAGB-QAPCUYQASA-N 0 3 316.445 2.124 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C#N)cc1F ZINC000176336462 402300851 /nfs/dbraw/zinc/30/08/51/402300851.db2.gz CKRXKFKWQSUBOZ-OAHLLOKOSA-N 0 3 318.396 2.323 10 30 DEEEHN C=CCOc1cc(OC)ccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000185045303 402320307 /nfs/dbraw/zinc/32/03/07/402320307.db2.gz BWKFTSXJOYOZFX-CQSZACIVSA-N 0 3 316.401 2.180 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1OCC#N ZINC000176980766 402356283 /nfs/dbraw/zinc/35/62/83/402356283.db2.gz YDRZZCTZEOZRCM-CQSZACIVSA-N 0 3 301.390 2.145 10 30 DEEEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(C#N)cc1 ZINC000177371712 402395547 /nfs/dbraw/zinc/39/55/47/402395547.db2.gz CJIKYBWNVIMNDW-INIZCTEOSA-N 0 3 300.406 2.184 10 30 DEEEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cc(C#N)ccc1F ZINC000177554005 402415511 /nfs/dbraw/zinc/41/55/11/402415511.db2.gz XRPUBQRVLRJOAL-HNNXBMFYSA-N 0 3 318.396 2.323 10 30 DEEEHN Cc1nccn1C[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246045914 402505592 /nfs/dbraw/zinc/50/55/92/402505592.db2.gz PJMLUGDGSUJXLF-ZWKOTPCHSA-N 0 3 310.401 2.261 10 30 DEEEHN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCN1C[C@H](C)O ZINC000249154596 402622449 /nfs/dbraw/zinc/62/24/49/402622449.db2.gz ZYDULGCNQIWYOI-MAUKXSAKSA-N 0 3 301.434 2.144 10 30 DEEEHN C[C@H](NCc1cccnc1-n1cncn1)c1ccc(C#N)cc1 ZINC000181504451 402647235 /nfs/dbraw/zinc/64/72/35/402647235.db2.gz ZHJKDPWLQXOMGL-ZDUSSCGKSA-N 0 3 304.357 2.385 10 30 DEEEHN CCOCCN1CCN(CC#Cc2ccccc2)C[C@H]1CC ZINC000192001834 402703564 /nfs/dbraw/zinc/70/35/64/402703564.db2.gz TYOHVGTZVNJORS-LJQANCHMSA-N 0 3 300.446 2.471 10 30 DEEEHN C[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1CCCCCC1 ZINC000173902754 402718256 /nfs/dbraw/zinc/71/82/56/402718256.db2.gz MDTLHWPOKQJGHQ-OAHLLOKOSA-N 0 3 315.417 2.318 10 30 DEEEHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000184331490 402836120 /nfs/dbraw/zinc/83/61/20/402836120.db2.gz NGAZYMVKLDYXOR-ZIAGYGMSSA-N 0 3 314.389 2.289 10 30 DEEEHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000278965821 402891413 /nfs/dbraw/zinc/89/14/13/402891413.db2.gz XATYIALFCQPLSK-PKOBYXMFSA-N 0 3 316.445 2.484 10 30 DEEEHN C#CCC(CC#C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000277798925 403258097 /nfs/dbraw/zinc/25/80/97/403258097.db2.gz VLXCGKPLZLUXSP-UHFFFAOYSA-N 0 3 314.404 2.379 10 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/nfs/dbraw/zinc/72/95/33/404729533.db2.gz OXLPLTSFFCLYSU-ZDUSSCGKSA-N 0 3 309.431 2.307 10 30 DEEEHN C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357276960 404732064 /nfs/dbraw/zinc/73/20/64/404732064.db2.gz SGUVORSVKAWDNB-UXLLHSPISA-N 0 3 319.449 2.222 10 30 DEEEHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)CN1CCOCC1 ZINC000358571217 404767162 /nfs/dbraw/zinc/76/71/62/404767162.db2.gz OVLYQPFYNGSDFG-KGLIPLIRSA-N 0 3 305.397 2.316 10 30 DEEEHN C=CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366322323 404786772 /nfs/dbraw/zinc/78/67/72/404786772.db2.gz XTNOIEBVNQBYBB-UHFFFAOYSA-N 0 3 305.344 2.277 10 30 DEEEHN CCOC(=O)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145818 404879485 /nfs/dbraw/zinc/87/94/85/404879485.db2.gz ZIKIXZIWURCVKY-CJNGLKHVSA-N 0 3 314.385 2.131 10 30 DEEEHN N#Cc1nccc(NC[C@H]2CCCCN2Cc2ccccc2)n1 ZINC000379673811 405027238 /nfs/dbraw/zinc/02/72/38/405027238.db2.gz RTQBOBNPZBJIAH-MRXNPFEDSA-N 0 3 307.401 2.237 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000420781281 405382659 /nfs/dbraw/zinc/38/26/59/405382659.db2.gz AWZQFLYQLMEFGD-HOTGVXAUSA-N 0 3 309.454 2.284 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)NCC1=CCOCC1)C(C)C ZINC000455222470 405388537 /nfs/dbraw/zinc/38/85/37/405388537.db2.gz JDDLHSUIQHDJJS-QGZVFWFLSA-N 0 3 321.465 2.331 10 30 DEEEHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)n2C)C1 ZINC000448943713 405467291 /nfs/dbraw/zinc/46/72/91/405467291.db2.gz AITCVAAVGBGZRE-OAHLLOKOSA-N 0 3 308.385 2.030 10 30 DEEEHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)n2C)CN1Cc1ccccc1 ZINC000450107408 405743057 /nfs/dbraw/zinc/74/30/57/405743057.db2.gz QTNDYAYVCIWKDB-GDBMZVCRSA-N 0 3 322.412 2.290 10 30 DEEEHN C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637367122 406280038 /nfs/dbraw/zinc/28/00/38/406280038.db2.gz IOJCDFUEVCFRKB-HOCLYGCPSA-N 0 3 309.454 2.020 10 30 DEEEHN CC(C)N[C@@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133030120 196306470 /nfs/dbraw/zinc/30/64/70/196306470.db2.gz PTRJHMMDYLKIOS-GFCCVEGCSA-N 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FRWXTVCATSPHNA-OAHLLOKOSA-N 0 3 324.384 2.194 10 30 DEEEHN C=CCCO[C@@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000069345812 648594514 /nfs/dbraw/zinc/59/45/14/648594514.db2.gz SDECQSRLJYRKOY-QWHCGFSZSA-N 0 3 302.378 2.162 10 30 DEEEHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc(F)c(F)c1 ZINC000120038061 684091278 /nfs/dbraw/zinc/09/12/78/684091278.db2.gz MXQFYFYEYHWWKM-LBPRGKRZSA-N 0 3 306.312 2.299 10 30 DEEEHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246005099 685121290 /nfs/dbraw/zinc/12/12/90/685121290.db2.gz FRSQDCAJDKXJKJ-WOPDTQHZSA-N 0 3 304.296 2.056 10 30 DEEEHN C#C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249110008 685174902 /nfs/dbraw/zinc/17/49/02/685174902.db2.gz QPMNDDAZDIMRRS-NWANDNLSSA-N 0 3 324.346 2.435 10 30 DEEEHN Cn1c2ccccc2nc1C(C#N)C(=O)C=Cc1ccncn1 ZINC000588468268 777238668 /nfs/dbraw/zinc/23/86/68/777238668.db2.gz RLZRBHWQFJHSBW-FWWRYZNZSA-N 0 3 303.325 2.253 10 30 DEEEHN CCCN1CCC[C@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746927404 786549425 /nfs/dbraw/zinc/54/94/25/786549425.db2.gz VKHKVTGVIILOET-HNNXBMFYSA-N 0 3 301.390 2.057 10 30 DEEEHN C#CCCCCNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000155900053 800865644 /nfs/dbraw/zinc/86/56/44/800865644.db2.gz PIXPCQFCTAMQBZ-UHFFFAOYSA-N 0 3 313.445 2.362 10 30 DEEEHN C#CC1(O)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000708103551 1086676925 /nfs/dbraw/zinc/67/69/25/1086676925.db2.gz WXPBEQIZMIXKME-UHFFFAOYSA-N 0 3 324.218 2.288 10 30 DEEEHN C#CCC(CC#C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000278342733 214102424 /nfs/dbraw/zinc/10/24/24/214102424.db2.gz KEHCXEAMIPHAND-LPHOPBHVSA-N 0 3 308.425 2.286 10 30 DEEEHN C=CC[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000612597222 361869567 /nfs/dbraw/zinc/86/95/67/361869567.db2.gz CORAEKVMBWRYQS-QGZVFWFLSA-N 0 3 310.401 2.490 10 30 DEEEHN C=CCN(C)S(=O)(=O)c1ccc(Cl)c(CN)c1Cl ZINC000166037077 197686641 /nfs/dbraw/zinc/68/66/41/197686641.db2.gz OCLJJRUAKGEZOY-UHFFFAOYSA-N 0 3 309.218 2.259 10 30 DEEEHN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000616267652 362811777 /nfs/dbraw/zinc/81/17/77/362811777.db2.gz QWPMFTUFGVOUHG-INIZCTEOSA-N 0 3 321.396 2.297 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c(C#CCN)c1 ZINC000133673077 186005444 /nfs/dbraw/zinc/00/54/44/186005444.db2.gz MZSFCJKNHOWNPS-KBPBESRZSA-N 0 3 302.443 2.271 10 30 DEEEHN CCOc1ccc(C#N)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171891768 198001642 /nfs/dbraw/zinc/00/16/42/198001642.db2.gz SIGGBROPHSCORO-CQSZACIVSA-N 0 3 314.389 2.269 10 30 DEEEHN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CC2CCN(C)CC2)cn1 ZINC000330183898 539934885 /nfs/dbraw/zinc/93/48/85/539934885.db2.gz QIBAYJOVRHHAMK-DOTOQJQBSA-N 0 3 320.437 2.329 10 30 DEEEHN C=C[C@](C)(CC)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617704043 363227393 /nfs/dbraw/zinc/22/73/93/363227393.db2.gz URBMMYYDEHULAN-IEBWSBKVSA-N 0 3 316.445 2.472 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2CCO)CC1 ZINC000352822779 540065363 /nfs/dbraw/zinc/06/53/63/540065363.db2.gz ZJDAHWBIPRQDIW-KRWDZBQOSA-N 0 3 323.481 2.364 10 30 DEEEHN C=CCOCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000618520637 363514324 /nfs/dbraw/zinc/51/43/24/363514324.db2.gz HPRGEBMIXNHNIA-QGZVFWFLSA-N 0 3 317.433 2.003 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592169854 357845634 /nfs/dbraw/zinc/84/56/34/357845634.db2.gz XBZWBWSXJCYWIR-TUVASFSCSA-N 0 3 312.479 2.074 10 30 DEEEHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595845427 358563327 /nfs/dbraw/zinc/56/33/27/358563327.db2.gz NWGRUHJFFJDHCM-OKILXGFUSA-N 0 3 301.346 2.377 10 30 DEEEHN C=C(C)COCCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602571593 360438655 /nfs/dbraw/zinc/43/86/55/360438655.db2.gz WCJZMYMKXLRYJG-UHFFFAOYSA-N 0 3 309.410 2.058 10 30 DEEEHN C=C(C)C[C@@H](NC1CCN(c2ccncc2)CC1)C(=O)OC ZINC000602735363 360527602 /nfs/dbraw/zinc/52/76/02/360527602.db2.gz VWUNJSNGUCBHNY-MRXNPFEDSA-N 0 3 303.406 2.148 10 30 DEEEHN CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1C[C@H](C)O ZINC000610276497 361378594 /nfs/dbraw/zinc/37/85/94/361378594.db2.gz ALEAOFZYPTUZON-HOCLYGCPSA-N 0 3 324.428 2.388 10 30 DEEEHN C=CC(C)(C)CCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000628314640 366806454 /nfs/dbraw/zinc/80/64/54/366806454.db2.gz HURUXJNXOPYJJZ-UHFFFAOYSA-N 0 3 305.422 2.354 10 30 DEEEHN C=CCOCCCC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000620916461 364199687 /nfs/dbraw/zinc/19/96/87/364199687.db2.gz WNGWHOJIYKLCEF-INIZCTEOSA-N 0 3 324.465 2.071 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CC2(F)F)CC1 ZINC000621417470 364394939 /nfs/dbraw/zinc/39/49/39/364394939.db2.gz ZYQGUETZLCXXMW-LBPRGKRZSA-N 0 3 301.381 2.371 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000623631981 365108654 /nfs/dbraw/zinc/10/86/54/365108654.db2.gz DMHWYOUFRHZTKS-OAHLLOKOSA-N 0 3 309.454 2.095 10 30 DEEEHN CC(C)(C)CS(=O)(=O)Nc1ccc(Cl)c(C#CCN)c1 ZINC000094671787 193391193 /nfs/dbraw/zinc/39/11/93/193391193.db2.gz YBQXIAMEYRNCCW-UHFFFAOYSA-N 0 3 314.838 2.438 10 30 DEEEHN NCC#Cc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094408521 193367445 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C[C@@H](C#N)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000182617401 356132997 /nfs/dbraw/zinc/13/29/97/356132997.db2.gz DOUCHLALLUWYFK-DOTOQJQBSA-N 0 3 314.433 2.500 10 30 DEEEHN Cn1cc(C#N)cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000080983149 192208637 /nfs/dbraw/zinc/20/86/37/192208637.db2.gz JUHIKJCGVKTLOP-QGZVFWFLSA-N 0 3 322.412 2.464 10 30 DEEEHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783654 357369116 /nfs/dbraw/zinc/36/91/16/357369116.db2.gz OTDBZIYHVKJQEQ-INIZCTEOSA-N 0 3 304.365 2.478 10 30 DEEEHN Cc1cc(C#N)cc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000588003166 357387301 /nfs/dbraw/zinc/38/73/01/357387301.db2.gz IHEIEVZVVDWEQN-QGZVFWFLSA-N 0 3 314.433 2.343 10 30 DEEEHN C=CC[C@H]1CCCN([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595659898 358515084 /nfs/dbraw/zinc/51/50/84/358515084.db2.gz QTUJRHWDVLILGS-LSDHHAIUSA-N 0 3 322.449 2.217 10 30 DEEEHN C=CC[C@@]1(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])CCC[NH2+]1 ZINC000595955320 358586495 /nfs/dbraw/zinc/58/64/95/358586495.db2.gz MZWZSDYDSRDKOV-KRWDZBQOSA-N 0 3 318.373 2.206 10 30 DEEEHN C=C(C)[C@H](CC(=O)N1CCC(N2CCCOCC2)CC1)OCC ZINC000627740983 366607407 /nfs/dbraw/zinc/60/74/07/366607407.db2.gz MTIZMPFJVFYQKR-KRWDZBQOSA-N 0 3 324.465 2.071 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602692840 360502315 /nfs/dbraw/zinc/50/23/15/360502315.db2.gz CCMLZTXVCRZOOY-GWCFXTLKSA-N 0 3 303.318 2.417 10 30 DEEEHN C=CCOCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611543873 361627117 /nfs/dbraw/zinc/62/71/17/361627117.db2.gz CCNULDNJYFYEAO-UHFFFAOYSA-N 0 3 316.361 2.288 10 30 DEEEHN C[C@H]1CCCN(C(=O)N(C)Cc2cc(C#CCN)cs2)C1 ZINC000091992515 193138702 /nfs/dbraw/zinc/13/87/02/193138702.db2.gz ZUAYVAQFKRAZRK-ZDUSSCGKSA-N 0 3 305.447 2.342 10 30 DEEEHN NCC#Cc1ccc(O[C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094408518 193367987 /nfs/dbraw/zinc/36/79/87/193367987.db2.gz DZLWFNUNJNZLIH-IAGOWNOFSA-N 0 3 303.427 2.430 10 30 DEEEHN CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C#CCN)cc1 ZINC000042598231 183289746 /nfs/dbraw/zinc/28/97/46/183289746.db2.gz GUVXRLFHJBCPCM-UHFFFAOYSA-N 0 3 308.447 2.052 10 30 DEEEHN NCC#Cc1ccsc1CSc1nnnn1C1CCCC1 ZINC000043685634 183380064 /nfs/dbraw/zinc/38/00/64/183380064.db2.gz XDKKOFXEQRCUAJ-UHFFFAOYSA-N 0 3 319.459 2.452 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000284790580 218180064 /nfs/dbraw/zinc/18/00/64/218180064.db2.gz MDPODTFFYOYMIC-SZMVWBNQSA-N 0 3 318.392 2.449 10 30 DEEEHN N#Cc1ccc(OCCN2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804372 194132428 /nfs/dbraw/zinc/13/24/28/194132428.db2.gz DRLJJAZAKDCDJJ-UHFFFAOYSA-N 0 3 323.400 2.304 10 30 DEEEHN Cc1cc(S(=O)(=O)NCCCC(C)C)ccc1C#CCN ZINC000062096781 184205892 /nfs/dbraw/zinc/20/58/92/184205892.db2.gz UREQKGVLKHETNN-UHFFFAOYSA-N 0 3 308.447 2.020 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2cc(C)ccc2C#CCN)CCS1 ZINC000157978065 197232225 /nfs/dbraw/zinc/23/22/25/197232225.db2.gz HDLVCJXVNCZJQN-OAHLLOKOSA-N 0 3 302.443 2.273 10 30 DEEEHN NCC#Cc1ccc(C(=O)NC[C@H]2CCCCS2)c(F)c1 ZINC000156566800 197123538 /nfs/dbraw/zinc/12/35/38/197123538.db2.gz IMBQTQNHTDDQRJ-CYBMUJFWSA-N 0 3 306.406 2.151 10 30 DEEEHN C[C@H](NC(=O)[C@H]1CCCCS1)c1cccc(C#CCN)c1 ZINC000156280916 197100789 /nfs/dbraw/zinc/10/07/89/197100789.db2.gz NKPIZZIMSQPBAE-XJKSGUPXSA-N 0 3 302.443 2.460 10 30 DEEEHN Cc1nccn1-c1ccc(CNCc2cc(C#N)n(C)c2)cn1 ZINC000190802431 145048041 /nfs/dbraw/zinc/04/80/41/145048041.db2.gz HMKROJIXUBHZDJ-UHFFFAOYSA-N 0 3 306.373 2.076 10 30 DEEEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000246812072 145115416 /nfs/dbraw/zinc/11/54/16/145115416.db2.gz BUXCLJAADFBLNG-BBRMVZONSA-N 0 3 323.400 2.277 10 30 DEEEHN C[C@@H](NC[C@H](C)CN1CCOCC1)c1ccc(C#N)cc1F ZINC000358571218 147158401 /nfs/dbraw/zinc/15/84/01/147158401.db2.gz OVLYQPFYNGSDFG-UONOGXRCSA-N 0 3 305.397 2.316 10 30 DEEEHN C[C@H](NCCCN1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358598485 147164007 /nfs/dbraw/zinc/16/40/07/147164007.db2.gz YMXKSPGZWKLUHF-ZDUSSCGKSA-N 0 3 305.397 2.195 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073990887 401727162 /nfs/dbraw/zinc/72/71/62/401727162.db2.gz SAYHJFHGBFDYOM-IMJJTQAJSA-N 0 3 313.401 2.021 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000111886161 401727245 /nfs/dbraw/zinc/72/72/45/401727245.db2.gz VGABRCQCGUARQM-HNNXBMFYSA-N 0 3 303.406 2.097 10 30 DEEEHN CN(C)[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110702441 401693287 /nfs/dbraw/zinc/69/32/87/401693287.db2.gz JJLICALNJPIIGQ-MRXNPFEDSA-N 0 3 315.417 2.270 10 30 DEEEHN C=CCC[C@H](CN1CCCOCC1)Oc1cc(C#N)ccn1 ZINC000072421337 401709729 /nfs/dbraw/zinc/70/97/29/401709729.db2.gz BOAITMZBDVRQNZ-MRXNPFEDSA-N 0 3 301.390 2.389 10 30 DEEEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccccc3C#N)C2)cn1 ZINC000116312426 401849512 /nfs/dbraw/zinc/84/95/12/401849512.db2.gz ZMMQFLCNYJFELI-OAHLLOKOSA-N 0 3 323.400 2.110 10 30 DEEEHN C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(OCC#N)c2)CCN1C ZINC000089815122 401965847 /nfs/dbraw/zinc/96/58/47/401965847.db2.gz BKYIVCJIKQWSKE-HOCLYGCPSA-N 0 3 315.417 2.073 10 30 DEEEHN Cc1nccn1CCCCN1CCN(c2ncccc2C#N)CC1 ZINC000125433832 402232469 /nfs/dbraw/zinc/23/24/69/402232469.db2.gz VVJXPJWSPPAXRV-UHFFFAOYSA-N 0 3 324.432 2.061 10 30 DEEEHN CC(C)c1nc2n(n1)C[C@H](NCc1ccc(C#N)s1)CC2 ZINC000176965089 402354633 /nfs/dbraw/zinc/35/46/33/402354633.db2.gz UNXVJWKINJZWBU-LLVKDONJSA-N 0 3 301.419 2.439 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000186586201 402444593 /nfs/dbraw/zinc/44/45/93/402444593.db2.gz JYEPIICRELKPOC-OAHLLOKOSA-N 0 3 309.454 2.284 10 30 DEEEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000178752911 402535300 /nfs/dbraw/zinc/53/53/00/402535300.db2.gz DVEBLXROGXUDOF-KRWDZBQOSA-N 0 3 323.400 2.166 10 30 DEEEHN Cc1nc(CN2CCCN(CC(C)(C)CCC#N)CC2)no1 ZINC000179214353 402581504 /nfs/dbraw/zinc/58/15/04/402581504.db2.gz MTVNBRBBPGUCNB-UHFFFAOYSA-N 0 3 305.426 2.216 10 30 DEEEHN C=CC[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000184263900 402831576 /nfs/dbraw/zinc/83/15/76/402831576.db2.gz JCQGUPDHJPDEJP-GFCCVEGCSA-N 0 3 300.196 2.490 10 30 DEEEHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000346254512 403581109 /nfs/dbraw/zinc/58/11/09/403581109.db2.gz VQRSEPPAOMLOJH-IAGOWNOFSA-N 0 3 306.450 2.445 10 30 DEEEHN C=CCN1CC[C@@H](N(CCN2CCCCCC2)C(C)C)C1=O ZINC000347336056 403668929 /nfs/dbraw/zinc/66/89/29/403668929.db2.gz KGLFNEDPOKASCL-QGZVFWFLSA-N 0 3 307.482 2.360 10 30 DEEEHN CCN1CCN(C[C@@H](C)CNc2cc(C)nc(C)c2C#N)CC1 ZINC000301803031 403681766 /nfs/dbraw/zinc/68/17/66/403681766.db2.gz WTCQSRKRKAMUNU-AWEZNQCLSA-N 0 3 315.465 2.256 10 30 DEEEHN C#CCCOc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000294763231 403732097 /nfs/dbraw/zinc/73/20/97/403732097.db2.gz ZXEFWGUDGAVJDY-INIZCTEOSA-N 0 3 300.402 2.255 10 30 DEEEHN Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328644416 404122888 /nfs/dbraw/zinc/12/28/88/404122888.db2.gz ZHERQGJSHMZEDD-HOCLYGCPSA-N 0 3 313.405 2.121 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1nccc(C)n1)C(C)C ZINC000349875450 404239561 /nfs/dbraw/zinc/23/95/61/404239561.db2.gz GQENMFTUQFIJBI-HNNXBMFYSA-N 0 3 302.422 2.213 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CCCOC2)C1 ZINC000355784184 404367019 /nfs/dbraw/zinc/36/70/19/404367019.db2.gz OLIXQKGPPFSPDG-AEFFLSMTSA-N 0 3 306.450 2.468 10 30 DEEEHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnnn1Cc1ccccc1 ZINC000291641688 404460631 /nfs/dbraw/zinc/46/06/31/404460631.db2.gz BPJMMEZFTWJDDS-SJLPKXTDSA-N 0 3 312.417 2.397 10 30 DEEEHN C=CCN1CC[C@H](N[C@H](C)c2ccccc2-n2cccn2)C1=O ZINC000373959925 404656531 /nfs/dbraw/zinc/65/65/31/404656531.db2.gz WSCYOCUQILJCKX-ZBFHGGJFSA-N 0 3 310.401 2.310 10 30 DEEEHN C#Cc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000297705500 404597501 /nfs/dbraw/zinc/59/75/01/404597501.db2.gz RPGQNFUHYWXXSL-MSOLQXFVSA-N 0 3 311.429 2.294 10 30 DEEEHN C=CCCCN(C)C(=O)C(=O)NC[C@H]1CCCCN1CCCC ZINC000356792016 404693692 /nfs/dbraw/zinc/69/36/92/404693692.db2.gz KJANRKUNFOHSLV-MRXNPFEDSA-N 0 3 323.481 2.182 10 30 DEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC(C)(C)CN ZINC000415377755 404855416 /nfs/dbraw/zinc/85/54/16/404855416.db2.gz GIOOSROAAWQLHA-UHFFFAOYSA-N 0 3 317.433 2.331 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCCC[C@H]1C ZINC000435745907 405010481 /nfs/dbraw/zinc/01/04/81/405010481.db2.gz RIEBMGUSHRHZBQ-PMPSAXMXSA-N 0 3 309.454 2.141 10 30 DEEEHN Cc1oc(NC(=O)CNC2(CCO)CCCCC2)c(C#N)c1C ZINC000440890740 405330636 /nfs/dbraw/zinc/33/06/36/405330636.db2.gz HIEJVQFHRGWOPN-UHFFFAOYSA-N 0 3 319.405 2.382 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCc2cnc(CCC)o2)CC1 ZINC000454460320 405348235 /nfs/dbraw/zinc/34/82/35/405348235.db2.gz HSYKPVWLJAQKLK-UHFFFAOYSA-N 0 3 320.437 2.467 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCc2c(C)onc2CC)CC1 ZINC000454464947 405349295 /nfs/dbraw/zinc/34/92/95/405349295.db2.gz ODTONKGHJJPEDD-UHFFFAOYSA-N 0 3 320.437 2.385 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000425559626 405303116 /nfs/dbraw/zinc/30/31/16/405303116.db2.gz ZPAWQVUWTIOQGP-ULQDDVLXSA-N 0 3 323.481 2.387 10 30 DEEEHN C=C(C)[C@@H](CC(=O)Nc1cnn(C2CCN(C)CC2)c1)OCC ZINC000634093564 406001680 /nfs/dbraw/zinc/00/16/80/406001680.db2.gz PEWCMTYAWJMIDG-MRXNPFEDSA-N 0 3 320.437 2.460 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000632471336 406153220 /nfs/dbraw/zinc/15/32/20/406153220.db2.gz GNSNHFJEDUXHNB-UHFFFAOYSA-N 0 3 323.481 2.038 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000633017774 406354444 /nfs/dbraw/zinc/35/44/44/406354444.db2.gz XUKFYDHXNMVZOB-UHFFFAOYSA-N 0 3 317.433 2.453 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCCCC(F)(F)F)cc1F ZINC000131052824 196136315 /nfs/dbraw/zinc/13/63/15/196136315.db2.gz CEZKQICVWBPDPU-UHFFFAOYSA-N 0 3 302.271 2.208 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000340966156 276891566 /nfs/dbraw/zinc/89/15/66/276891566.db2.gz XDJQQKNCSPOHAJ-IXDOHACOSA-N 0 3 321.465 2.258 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N(C[C@@H](C)OC)C(C)C)CC1 ZINC000355177602 277774898 /nfs/dbraw/zinc/77/48/98/277774898.db2.gz WVGHKUDGDNBOPG-OAHLLOKOSA-N 0 3 311.470 2.482 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]12CCOC2)C(C)C ZINC000422172004 277848493 /nfs/dbraw/zinc/84/84/93/277848493.db2.gz NSVKCLAMVQFIKB-WMZOPIPTSA-N 0 3 321.465 2.259 10 30 DEEEHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329516627 280247584 /nfs/dbraw/zinc/24/75/84/280247584.db2.gz MUYKKYMYKPELAM-XUWVNRHRSA-N 0 3 310.438 2.259 10 30 DEEEHN C[C@H](CN1CCCCCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329549493 289573589 /nfs/dbraw/zinc/57/35/89/289573589.db2.gz FGKXTAYYQZVINJ-QKPAOTATSA-N 0 3 310.438 2.259 10 30 DEEEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017160 290238758 /nfs/dbraw/zinc/23/87/58/290238758.db2.gz ODPHFAJFAZIOIW-GQGLESIBSA-N 0 3 318.465 2.442 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000516052338 338003070 /nfs/dbraw/zinc/00/30/70/338003070.db2.gz MWBBPRWRMULIFI-GJZGRUSLSA-N 0 3 309.454 2.141 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCCOCC2CCC2)CC1 ZINC000576916821 341869542 /nfs/dbraw/zinc/86/95/42/341869542.db2.gz ZKFQNQKQOVHKMS-UHFFFAOYSA-N 0 3 309.454 2.143 10 30 DEEEHN COc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1C#N ZINC000128477002 524029409 /nfs/dbraw/zinc/02/94/09/524029409.db2.gz RDKUIYREKVCSNY-HNNXBMFYSA-N 0 3 311.389 2.071 10 30 DEEEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)cn1C ZINC000157763060 524631440 /nfs/dbraw/zinc/63/14/40/524631440.db2.gz MUGNOBVPZAQQNO-YOEHRIQHSA-N 0 3 322.412 2.147 10 30 DEEEHN C=CCNC(=O)[C@H](C)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246478298 526633071 /nfs/dbraw/zinc/63/30/71/526633071.db2.gz GKPBIOISGGXLEK-RRQGHBQHSA-N 0 3 320.408 2.404 10 30 DEEEHN C=CCOc1cccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284209192 526905697 /nfs/dbraw/zinc/90/56/97/526905697.db2.gz ZKCGMJSVSAXKFP-DOTOQJQBSA-N 0 3 307.434 2.499 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000299281417 526930673 /nfs/dbraw/zinc/93/06/73/526930673.db2.gz SDIZJDLYYLCRGQ-QGZVFWFLSA-N 0 3 300.377 2.274 10 30 DEEEHN C#CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000246639165 527094990 /nfs/dbraw/zinc/09/49/90/527094990.db2.gz 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/nfs/dbraw/zinc/97/59/42/645975942.db2.gz CFBBNRXUBJUUCC-HOCLYGCPSA-N 0 3 300.402 2.488 10 30 DEEEHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCOc2ccccc21 ZINC000118143025 684069816 /nfs/dbraw/zinc/06/98/16/684069816.db2.gz PMWVMHADPYROSM-OCCSQVGLSA-N 0 3 300.358 2.176 10 30 DEEEHN N#Cc1ccc2ncc(CNC[C@@H](O)c3cccc(F)c3)n2c1 ZINC000123469769 684125243 /nfs/dbraw/zinc/12/52/43/684125243.db2.gz ITADIFLJBFLRQM-MRXNPFEDSA-N 0 3 310.332 2.168 10 30 DEEEHN CSCC[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000130169693 684186138 /nfs/dbraw/zinc/18/61/38/684186138.db2.gz QONJRRDIRGDCJQ-GFCCVEGCSA-N 0 3 312.460 2.063 10 30 DEEEHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCSC ZINC000131028007 684195765 /nfs/dbraw/zinc/19/57/65/684195765.db2.gz YKXLMZAFZNASPF-NSHDSACASA-N 0 3 306.387 2.486 10 30 DEEEHN C#CCOc1ccccc1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000188073685 684348539 /nfs/dbraw/zinc/34/85/39/684348539.db2.gz QDVLUIXCWXECNI-CQSZACIVSA-N 0 3 301.390 2.304 10 30 DEEEHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 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CC(=O)c1ccc(C#N)cc1NC[C@@H](O)CN1CCC(C)CC1 ZINC000302076760 275502293 /nfs/dbraw/zinc/50/22/93/275502293.db2.gz ADMBGDGZNTWIHG-MRXNPFEDSA-N 0 3 315.417 2.266 10 30 DEEEHN CN(C)CCN(C(=O)c1ccc(C#N)n1C)C1CCCCC1 ZINC000448951637 289125381 /nfs/dbraw/zinc/12/53/81/289125381.db2.gz CPXYKVJVZWMNMB-UHFFFAOYSA-N 0 3 302.422 2.233 10 30 DEEEHN O=C(CN1CCC[C@@H]1c1ncc[nH]1)NC1CCN(C2CC2)CC1 ZINC000329238031 295389552 /nfs/dbraw/zinc/38/95/52/295389552.db2.gz KUAPVRTVTMKQOV-OAHLLOKOSA-N 0 3 317.437 2.130 10 30 DEEEHN C#CCCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000363414452 331901299 /nfs/dbraw/zinc/90/12/99/331901299.db2.gz NLCXBULVGCEFHY-LESCRADOSA-N 0 3 312.413 2.188 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000344163616 335226426 /nfs/dbraw/zinc/22/64/26/335226426.db2.gz VZEQFAOGTSUECB-CVEARBPZSA-N 0 3 323.481 2.075 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@H](c2cccnc2)C2CC2)CC1 ZINC000536155864 335824911 /nfs/dbraw/zinc/82/49/11/335824911.db2.gz 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/nfs/dbraw/zinc/23/35/89/684233589.db2.gz WLAUEILDLQDXAF-ZDUSSCGKSA-N 0 3 320.368 2.334 10 30 DEEEHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246005095 685121279 /nfs/dbraw/zinc/12/12/79/685121279.db2.gz FRSQDCAJDKXJKJ-UTUOFQBUSA-N 0 3 304.296 2.056 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000076735956 185036995 /nfs/dbraw/zinc/03/69/95/185036995.db2.gz OIKVCMVSQPCXQY-CYBMUJFWSA-N 0 3 303.406 2.271 10 30 DEEEHN COc1ccc(C#CCN)cc1CN(C)CCC(F)(F)F ZINC000088433447 185249782 /nfs/dbraw/zinc/24/97/82/185249782.db2.gz ZRIOVBGNTZBCKY-UHFFFAOYSA-N 0 3 300.324 2.390 10 30 DEEEHN CN(CC#Cc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191998361 529823042 /nfs/dbraw/zinc/82/30/42/529823042.db2.gz CLFOKWDVFQMIDL-GOSISDBHSA-N 0 3 306.413 2.429 10 30 DEEEHN Cc1ccc(C#CCN)cc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133667147 186005125 /nfs/dbraw/zinc/00/51/25/186005125.db2.gz UVNIVIZVSQDQCO-UONOGXRCSA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1C#CCN ZINC000133672053 186005545 /nfs/dbraw/zinc/00/55/45/186005545.db2.gz YGKXKXZIZLMPLV-UONOGXRCSA-N 0 3 302.443 2.271 10 30 DEEEHN C[C@H]1SCCN(CCOc2ccc(C#CCO)cc2)[C@@H]1C ZINC000133783469 186012119 /nfs/dbraw/zinc/01/21/19/186012119.db2.gz VCCWVQREQYVYAR-HUUCEWRRSA-N 0 3 305.443 2.235 10 30 DEEEHN NCC#Cc1ccsc1CNC(=O)c1cccc(F)c1F ZINC000148634308 186045352 /nfs/dbraw/zinc/04/53/52/186045352.db2.gz VINFWBKHBZEAAB-UHFFFAOYSA-N 0 3 306.337 2.267 10 30 DEEEHN NCC#Cc1cc(NS(=O)(=O)C2CCCCC2)ccc1F ZINC000164413726 186158345 /nfs/dbraw/zinc/15/83/45/186158345.db2.gz BWGWZAUPKSTORI-UHFFFAOYSA-N 0 3 310.394 2.210 10 30 DEEEHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000329161725 539914819 /nfs/dbraw/zinc/91/48/19/539914819.db2.gz ZESXWHRWCQTZFJ-ZFWWWQNUSA-N 0 3 307.438 2.218 10 30 DEEEHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373094 358063677 /nfs/dbraw/zinc/06/36/77/358063677.db2.gz AFLPCDBDPKBQGZ-SJCJKPOMSA-N 0 3 310.401 2.066 10 30 DEEEHN N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000618792851 363604447 /nfs/dbraw/zinc/60/44/47/363604447.db2.gz KFNVOJCAAPCMMI-MRXNPFEDSA-N 0 3 301.365 2.381 10 30 DEEEHN C=CCN1CCC(NC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000597169761 358842621 /nfs/dbraw/zinc/84/26/21/358842621.db2.gz XPEIZHURJSWXMH-OAHLLOKOSA-N 0 3 322.449 2.121 10 30 DEEEHN C=CC[C@H](CO)NCc1cccc(Br)c1OC ZINC000187360239 200101217 /nfs/dbraw/zinc/10/12/17/200101217.db2.gz LRTOCBFBNXNFEX-LLVKDONJSA-N 0 3 300.196 2.484 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)[C@@H](OC)C1 ZINC000189259779 200371300 /nfs/dbraw/zinc/37/13/00/200371300.db2.gz WJFGXSVZLWTAJX-GUYCJALGSA-N 0 3 304.390 2.302 10 30 DEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602887008 360610354 /nfs/dbraw/zinc/61/03/54/360610354.db2.gz TZKDIMLJQNCNEW-FHWLQOOXSA-N 0 3 313.445 2.295 10 30 DEEEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248024 361373140 /nfs/dbraw/zinc/37/31/40/361373140.db2.gz DLPZGIBWCCXFBN-BBRMVZONSA-N 0 3 323.400 2.277 10 30 DEEEHN CC[C@@H](CN1CCCC1)NC(=O)NCC1CCC(C#N)CC1 ZINC000619669483 363850774 /nfs/dbraw/zinc/85/07/74/363850774.db2.gz JWISKAXLAXFBAG-GPANFISMSA-N 0 3 306.454 2.490 10 30 DEEEHN C=CC[C@H](Cc1ccccc1)n1cc(C[C@H](N)COC)nn1 ZINC000630591699 367745208 /nfs/dbraw/zinc/74/52/08/367745208.db2.gz FILIVWTWANWJOR-DOTOQJQBSA-N 0 3 300.406 2.154 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000630966390 367940274 /nfs/dbraw/zinc/94/02/74/367940274.db2.gz XDINFIJPTJNOKI-CVEARBPZSA-N 0 3 313.401 2.148 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000630966395 367940540 /nfs/dbraw/zinc/94/05/40/367940540.db2.gz XDINFIJPTJNOKI-JKSUJKDBSA-N 0 3 313.401 2.148 10 30 DEEEHN C[C@H](NCC(C)(C)S(C)(=O)=O)c1ccc(OCC#N)cc1 ZINC000093523194 193262674 /nfs/dbraw/zinc/26/26/74/193262674.db2.gz QPOLDGYSMARTIB-LBPRGKRZSA-N 0 3 310.419 2.063 10 30 DEEEHN Cc1cc(C(=O)N(C)Cc2cscn2)sc1C#CCN ZINC000094536601 193378477 /nfs/dbraw/zinc/37/84/77/193378477.db2.gz 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/nfs/dbraw/zinc/73/72/43/401737243.db2.gz WYEWOHQOVPKMPT-MSOLQXFVSA-N 0 3 310.401 2.434 10 30 DEEEHN C=CCC[C@@H](CN1CCCOCC1)Oc1cc(C#N)ccn1 ZINC000072421336 401709722 /nfs/dbraw/zinc/70/97/22/401709722.db2.gz BOAITMZBDVRQNZ-INIZCTEOSA-N 0 3 301.390 2.389 10 30 DEEEHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128226357 401767818 /nfs/dbraw/zinc/76/78/18/401767818.db2.gz LZIHAUFGJPJNCH-ZOBUZTSGSA-N 0 3 317.437 2.011 10 30 DEEEHN CN(c1ncccc1C#N)C1CCN(CCc2ccncc2)CC1 ZINC000069565973 402230793 /nfs/dbraw/zinc/23/07/93/402230793.db2.gz UOAHBEFIJHLWFR-UHFFFAOYSA-N 0 3 321.428 2.492 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCN1C[C@@H](C)O ZINC000186207741 402410707 /nfs/dbraw/zinc/41/07/07/402410707.db2.gz ZYDULGCNQIWYOI-QAPCUYQASA-N 0 3 301.434 2.144 10 30 DEEEHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCCS2)c1 ZINC000163110708 402441587 /nfs/dbraw/zinc/44/15/87/402441587.db2.gz WMLCFAHRHCPHQJ-AWEZNQCLSA-N 0 3 324.471 2.207 10 30 DEEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000247514434 402570861 /nfs/dbraw/zinc/57/08/61/402570861.db2.gz WCTHQZGANHKPRU-HIFRSBDPSA-N 0 3 315.442 2.345 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246385837 402528377 /nfs/dbraw/zinc/52/83/77/402528377.db2.gz JKZNSGKPAZMFIX-IPYPFGDCSA-N 0 3 313.401 2.067 10 30 DEEEHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccnc(C#N)c2)C1 ZINC000193209018 402768818 /nfs/dbraw/zinc/76/88/18/402768818.db2.gz ZCBPIVQSVXMMJE-MRXNPFEDSA-N 0 3 306.369 2.086 10 30 DEEEHN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000184236973 402829660 /nfs/dbraw/zinc/82/96/60/402829660.db2.gz HRIOZLOHXYGUMQ-DLBZAZTESA-N 0 3 307.482 2.217 10 30 DEEEHN C=CC[C@H](CO)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433665 403004442 /nfs/dbraw/zinc/00/44/42/403004442.db2.gz LOZQNNOXHQOHSP-ZBFHGGJFSA-N 0 3 320.433 2.131 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000285049875 403277468 /nfs/dbraw/zinc/27/74/68/403277468.db2.gz IUUFJDDIFAXRDW-HUUCEWRRSA-N 0 3 324.346 2.374 10 30 DEEEHN CSCCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328615340 404115683 /nfs/dbraw/zinc/11/56/83/404115683.db2.gz ATPGIXVTRNTHHI-GJZGRUSLSA-N 0 3 322.478 2.331 10 30 DEEEHN CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC000328818811 404156091 /nfs/dbraw/zinc/15/60/91/404156091.db2.gz HWGSNZOKRVDMFO-RRFJBIMHSA-N 0 3 316.405 2.006 10 30 DEEEHN CN1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccccc1 ZINC000328881884 404166747 /nfs/dbraw/zinc/16/67/47/404166747.db2.gz LLFWDUWVHHKVBD-HYVNUMGLSA-N 0 3 317.433 2.050 10 30 DEEEHN Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329245310 404277490 /nfs/dbraw/zinc/27/74/90/404277490.db2.gz AEUHKJWNEQYVAP-PJODQICGSA-N 0 3 320.437 2.162 10 30 DEEEHN O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCCN1C1CCOCC1 ZINC000329333583 404305741 /nfs/dbraw/zinc/30/57/41/404305741.db2.gz NOMLWGZADROXIK-OWCLPIDISA-N 0 3 310.438 2.280 10 30 DEEEHN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C1=CCN(C)CC1 ZINC000330204706 404586082 /nfs/dbraw/zinc/58/60/82/404586082.db2.gz CWZDZYRRQWJYES-XNRPHZJLSA-N 0 3 318.421 2.105 10 30 DEEEHN CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330205740 404586351 /nfs/dbraw/zinc/58/63/51/404586351.db2.gz DSJYFDJTYHGFQV-SQWLQELKSA-N 0 3 320.437 2.329 10 30 DEEEHN C[C@H](NC(=O)C(C#N)c1nccn1Cc1ccccc1)C1CC1 ZINC000358081497 404753175 /nfs/dbraw/zinc/75/31/75/404753175.db2.gz WXKPJYSMKJCWPU-BBRMVZONSA-N 0 3 308.385 2.453 10 30 DEEEHN C#CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366832418 404855004 /nfs/dbraw/zinc/85/50/04/404855004.db2.gz WZKUKYXJDWPVMP-UHFFFAOYSA-N 0 3 317.355 2.114 10 30 DEEEHN C=CCCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397646932 405058620 /nfs/dbraw/zinc/05/86/20/405058620.db2.gz VMDFYOBFOWLDBV-UHFFFAOYSA-N 0 3 302.418 2.096 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000527983550 405469011 /nfs/dbraw/zinc/46/90/11/405469011.db2.gz APQWKJRICDPLAY-BBWFWOEESA-N 0 3 321.465 2.426 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCN1C1CCCCC1 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DEEEHN C=CC[C@@H](N)C(=O)NCc1cc(Br)ccc1F ZINC000162591137 197576765 /nfs/dbraw/zinc/57/67/65/197576765.db2.gz NAXUCGWFNGUJAV-LLVKDONJSA-N 0 3 301.159 2.108 10 30 DEEEHN COc1ccc(C#CCO)c(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000087787319 185231880 /nfs/dbraw/zinc/23/18/80/185231880.db2.gz KDUNHOUMFYHIFJ-ZIAGYGMSSA-N 0 3 305.443 2.365 10 30 DEEEHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000615479700 362617965 /nfs/dbraw/zinc/61/79/65/362617965.db2.gz HWFYBIQDTQBMSZ-DLBZAZTESA-N 0 3 323.481 2.084 10 30 DEEEHN C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#CCN)s1 ZINC000071273696 190951695 /nfs/dbraw/zinc/95/16/95/190951695.db2.gz DTUONNCNZDSEAW-NSHDSACASA-N 0 3 304.440 2.481 10 30 DEEEHN C=CCC[C@@H](CN1CCCOCC1)Oc1ncc(CC)cn1 ZINC000072423784 191158190 /nfs/dbraw/zinc/15/81/90/191158190.db2.gz ZVUPCKBARDCTDM-INIZCTEOSA-N 0 3 305.422 2.475 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617703111 363227626 /nfs/dbraw/zinc/22/76/26/363227626.db2.gz BOPYJAUDUQUYFU-CRAIPNDOSA-N 0 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/nfs/dbraw/zinc/25/05/24/184250524.db2.gz PERWVVVTXWXUIC-SNVBAGLBSA-N 0 3 313.195 2.476 10 30 DEEEHN CCC(C)(C)N(C)S(=O)(=O)c1ccc(C)cc1C#CCN ZINC000069462557 184517418 /nfs/dbraw/zinc/51/74/18/184517418.db2.gz BSAHEUWZTFELAX-UHFFFAOYSA-N 0 3 308.447 2.114 10 30 DEEEHN C[C@@H](NCCCN1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358598480 147163757 /nfs/dbraw/zinc/16/37/57/147163757.db2.gz YMXKSPGZWKLUHF-CYBMUJFWSA-N 0 3 305.397 2.195 10 30 DEEEHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273651 402026715 /nfs/dbraw/zinc/02/67/15/402026715.db2.gz KRVPIHGDIHVSGP-OAHLLOKOSA-N 0 3 321.808 2.393 10 30 DEEEHN COc1cc(C#N)ccc1OCCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000153134685 402129091 /nfs/dbraw/zinc/12/90/91/402129091.db2.gz SCFRIKQVGOMDAT-HZPDHXFCSA-N 0 3 316.401 2.447 10 30 DEEEHN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000329904374 404490218 /nfs/dbraw/zinc/49/02/18/404490218.db2.gz QZGZXAFJKYOTOF-CHWSQXEVSA-N 0 3 313.467 2.127 10 30 DEEEHN C[C@H]1CN(C2CCN(Cc3ccc(F)cc3C#N)CC2)CCO1 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C=CCC[C@H](O)CN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578473 406679479 /nfs/dbraw/zinc/67/94/79/406679479.db2.gz VPOCNXANVMSKIG-INIZCTEOSA-N 0 3 320.433 2.418 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527896049 406782843 /nfs/dbraw/zinc/78/28/43/406782843.db2.gz BUMPQKLBDGNJHJ-OIISXLGYSA-N 0 3 321.465 2.284 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC000573384307 406773368 /nfs/dbraw/zinc/77/33/68/406773368.db2.gz VRSZBRPJMQPPIA-IRXDYDNUSA-N 0 3 307.482 2.143 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCCc2ccco2)cc1Cl ZINC000129077324 196017649 /nfs/dbraw/zinc/01/76/49/196017649.db2.gz RJPISLIUSPJQDX-UHFFFAOYSA-N 0 3 302.761 2.216 10 30 DEEEHN Cc1ncc(CNC(=O)c2ccc(C#CCN)c(Cl)c2)s1 ZINC000129080141 196017872 /nfs/dbraw/zinc/01/78/72/196017872.db2.gz QYXBKCPKWGTAME-UHFFFAOYSA-N 0 3 319.817 2.345 10 30 DEEEHN C=CCNc1ncc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)s1 ZINC000129214687 196029695 /nfs/dbraw/zinc/02/96/95/196029695.db2.gz VMGKYCHMFHUQAG-RYUDHWBXSA-N 0 3 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/nfs/dbraw/zinc/72/54/84/644725484.db2.gz MODJFPYATYHMMQ-OAHLLOKOSA-N 0 3 312.369 2.199 10 30 DEEEHN C=CCc1cc(OC)cc(CN2CCC[C@H](NC(C)=O)C2)c1O ZINC000164139201 646419519 /nfs/dbraw/zinc/41/95/19/646419519.db2.gz KUSBHQHXZKURNY-INIZCTEOSA-N 0 3 318.417 2.230 10 30 DEEEHN C#CCN(CC#C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000075392216 683936078 /nfs/dbraw/zinc/93/60/78/683936078.db2.gz BJBAGFSZAWSMLT-QGZVFWFLSA-N 0 3 312.388 2.133 10 30 DEEEHN Cn1c2ccccc2nc1C(C#N)C(=O)C=Cc1ccncn1 ZINC000588468267 777238769 /nfs/dbraw/zinc/23/87/69/777238769.db2.gz RLZRBHWQFJHSBW-FMFIFOJESA-N 0 3 303.325 2.253 10 30 DEEEHN NCC#Cc1ccc(F)c(CNC(=O)CCC(F)(F)F)c1 ZINC000088834268 185266970 /nfs/dbraw/zinc/26/69/70/185266970.db2.gz FGUHCPFVGRFXSY-UHFFFAOYSA-N 0 3 302.271 2.095 10 30 DEEEHN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000625355636 365744956 /nfs/dbraw/zinc/74/49/56/365744956.db2.gz TTYKXTDGOXFQPQ-AWEZNQCLSA-N 0 3 308.447 2.335 10 30 DEEEHN C=CCOc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159608749 186130571 /nfs/dbraw/zinc/13/05/71/186130571.db2.gz BKAHOIZMTJNPAT-DZGCQCFKSA-N 0 3 318.417 2.346 10 30 DEEEHN C=CCCC1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCC1 ZINC000617417361 363129039 /nfs/dbraw/zinc/12/90/39/363129039.db2.gz VYEDWXFGSCCZHY-MRXNPFEDSA-N 0 3 305.466 2.019 10 30 DEEEHN COc1ccc(CNC[C@@H](O)c2ccccc2OC)cc1C#N ZINC000174296922 198316695 /nfs/dbraw/zinc/31/66/95/198316695.db2.gz KXKBIKHOKLILQC-MRXNPFEDSA-N 0 3 312.369 2.399 10 30 DEEEHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000595840722 358562155 /nfs/dbraw/zinc/56/21/55/358562155.db2.gz DECCIWQTGNPBID-OWCLPIDISA-N 0 3 320.433 2.114 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(C(=O)OCC)n1 ZINC000600153459 359666823 /nfs/dbraw/zinc/66/68/23/359666823.db2.gz MGMYAIFAZRWXRH-CJNGLKHVSA-N 0 3 304.390 2.329 10 30 DEEEHN C[C@H](NCCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1F ZINC000442871813 238088640 /nfs/dbraw/zinc/08/86/40/238088640.db2.gz GYLZHLSVCUVWPC-AWEZNQCLSA-N 0 3 318.440 2.374 10 30 DEEEHN C=CC[C@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000623586663 365092805 /nfs/dbraw/zinc/09/28/05/365092805.db2.gz FRBSSHCTELEUES-HNNXBMFYSA-N 0 3 323.481 2.483 10 30 DEEEHN C=CC[C@H](Cc1ccccc1)n1cc(C[C@@H](N)COC)nn1 ZINC000630591700 367743842 /nfs/dbraw/zinc/74/38/42/367743842.db2.gz FILIVWTWANWJOR-NVXWUHKLSA-N 0 3 300.406 2.154 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)C1CCN(OC)CC1)C(C)C ZINC000631274803 368116859 /nfs/dbraw/zinc/11/68/59/368116859.db2.gz TVMTVHFWDVYHJV-QGZVFWFLSA-N 0 3 323.481 2.075 10 30 DEEEHN CCc1nnsc1C(=O)Nc1ccc(Cl)c(C#CCN)c1 ZINC000094671711 193391229 /nfs/dbraw/zinc/39/12/29/193391229.db2.gz IMJQNHWZGUHXPV-UHFFFAOYSA-N 0 3 320.805 2.316 10 30 DEEEHN C[C@@H](C(=O)Nc1ccc(Cl)c(C#CCN)c1)n1cccn1 ZINC000094671745 193391464 /nfs/dbraw/zinc/39/14/64/193391464.db2.gz FFOBZSNXQYFXIP-NSHDSACASA-N 0 3 302.765 2.046 10 30 DEEEHN Cc1csc(CNC(=O)c2cc(C)c(C#CCN)s2)n1 ZINC000094536499 193378308 /nfs/dbraw/zinc/37/83/08/193378308.db2.gz VMUMXXMQWOCDSA-UHFFFAOYSA-N 0 3 305.428 2.062 10 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/nfs/dbraw/zinc/40/40/29/402404029.db2.gz AUFAMSIKLKMBDE-PBHICJAKSA-N 0 3 322.412 2.290 10 30 DEEEHN CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCN1C[C@@H](C)O ZINC000186207723 402410177 /nfs/dbraw/zinc/41/01/77/402410177.db2.gz ZYDULGCNQIWYOI-CRAIPNDOSA-N 0 3 301.434 2.144 10 30 DEEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186966089 402474206 /nfs/dbraw/zinc/47/42/06/402474206.db2.gz ATGMJBCNNXDEGG-RHSMWYFYSA-N 0 3 309.413 2.285 10 30 DEEEHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000246218121 402519059 /nfs/dbraw/zinc/51/90/59/402519059.db2.gz CVJNABGFEFORRI-DOTOQJQBSA-N 0 3 315.392 2.456 10 30 DEEEHN N#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000246218134 402519082 /nfs/dbraw/zinc/51/90/82/402519082.db2.gz CVJNABGFEFORRI-NVXWUHKLSA-N 0 3 315.392 2.456 10 30 DEEEHN C[C@H](O)CN1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000246387440 402528659 /nfs/dbraw/zinc/52/86/59/402528659.db2.gz IUGOTUYUFUXSGY-CABCVRRESA-N 0 3 306.837 2.078 10 30 DEEEHN CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1C[C@H](C)O ZINC000246477306 402532556 /nfs/dbraw/zinc/53/25/56/402532556.db2.gz XHHXQWONFXXPOY-MAUKXSAKSA-N 0 3 320.864 2.469 10 30 DEEEHN C#CCC(CC#C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000277689520 403245668 /nfs/dbraw/zinc/24/56/68/403245668.db2.gz NOCGLNUDRFUOHW-UHFFFAOYSA-N 0 3 314.404 2.379 10 30 DEEEHN C#CCC(CC#C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000288259872 403744382 /nfs/dbraw/zinc/74/43/82/403744382.db2.gz FSNXKSVFILNPAK-VQIMIIECSA-N 0 3 308.425 2.428 10 30 DEEEHN CC(=O)Nc1ccn([C@H]2CCN(Cc3nc(C)ccc3O)C2)n1 ZINC000328623391 404117843 /nfs/dbraw/zinc/11/78/43/404117843.db2.gz JAWKAXWQWQUYHA-ZDUSSCGKSA-N 0 3 315.377 2.347 10 30 DEEEHN C[C@H](CC(=O)N(C)[C@@H]1CN2CCC1CC2)NC(=O)C1CCCC1 ZINC000329513766 404361090 /nfs/dbraw/zinc/36/10/90/404361090.db2.gz YCKCCFQTBDYEEM-CZUORRHYSA-N 0 3 321.465 2.464 10 30 DEEEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330339509 404630342 /nfs/dbraw/zinc/63/03/42/404630342.db2.gz 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/nfs/dbraw/zinc/18/36/77/406183677.db2.gz XAOKKBYYOFMMNC-GJZGRUSLSA-N 0 3 323.481 2.036 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000637194688 406207440 /nfs/dbraw/zinc/20/74/40/406207440.db2.gz LLAKAGXQYCRMMB-AWEZNQCLSA-N 0 3 323.481 2.084 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000633040080 406360480 /nfs/dbraw/zinc/36/04/80/406360480.db2.gz GLPPHPOBVUJEHA-IRXDYDNUSA-N 0 3 321.465 2.284 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCN1CCCO ZINC000637622066 406369919 /nfs/dbraw/zinc/36/99/19/406369919.db2.gz XZIQGQLKYROXIU-OAHLLOKOSA-N 0 3 311.470 2.125 10 30 DEEEHN Cc1cccc(C(=O)NCc2sccc2C#CCN)c1F ZINC000132105423 196226891 /nfs/dbraw/zinc/22/68/91/196226891.db2.gz JKYHXKQUOHMJTH-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN Cc1ncc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c(=O)[n-]1 ZINC000262232496 225266867 /nfs/dbraw/zinc/26/68/67/225266867.db2.gz MLEKYTSIFVPZAZ-UHFFFAOYSA-N 0 3 315.377 2.205 10 30 DEEEHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1C ZINC000195120071 424880226 /nfs/dbraw/zinc/88/02/26/424880226.db2.gz WVOMXCOMDWNHNX-UHFFFAOYSA-N 0 3 324.428 2.409 10 30 DEEEHN C=CCCCN(C)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376035437 424893670 /nfs/dbraw/zinc/89/36/70/424893670.db2.gz RSLYUMSPTDTVGT-UHFFFAOYSA-N 0 3 305.426 2.580 10 30 DEEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000246124297 288312007 /nfs/dbraw/zinc/31/20/07/288312007.db2.gz BKIRVYGJOKKXNX-PWSUYJOCSA-N 0 3 305.328 2.145 10 30 DEEEHN Cn1c(C#N)ccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000448647800 294147171 /nfs/dbraw/zinc/14/71/71/294147171.db2.gz JXLABJCANOFZIZ-KRWDZBQOSA-N 0 3 322.412 2.464 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1cn2c(n1)CCC2)C(C)C ZINC000567355063 341598187 /nfs/dbraw/zinc/59/81/87/341598187.db2.gz RBJVDJIKKUITPN-INIZCTEOSA-N 0 3 316.449 2.258 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368161154 526780312 /nfs/dbraw/zinc/78/03/12/526780312.db2.gz RVPSBYDRITWIBW-KEYYUXOJSA-N 0 3 312.429 2.296 10 30 DEEEHN C=CCOCCN[C@@H](CO)c1cccc(Br)c1 ZINC000294521462 526781749 /nfs/dbraw/zinc/78/17/49/526781749.db2.gz JEEPYXGFLNIJMZ-ZDUSSCGKSA-N 0 3 300.196 2.275 10 30 DEEEHN C=CCOc1ccc(CC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000294447418 526855757 /nfs/dbraw/zinc/85/57/57/526855757.db2.gz CVRSNMZIVBZNTF-MRXNPFEDSA-N 0 3 302.418 2.347 10 30 DEEEHN C=CCOc1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)cc1 ZINC000418115875 526873775 /nfs/dbraw/zinc/87/37/75/526873775.db2.gz QADXKOAXFXTMLA-CVEARBPZSA-N 0 3 304.434 2.138 10 30 DEEEHN C=CCCOCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245674495 527358516 /nfs/dbraw/zinc/35/85/16/527358516.db2.gz STFFFQBQUFITHG-DLBZAZTESA-N 0 3 317.433 2.324 10 30 DEEEHN C=CCCOCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415962963 527359457 /nfs/dbraw/zinc/35/94/57/527359457.db2.gz UQYQHSWEDSEEIP-UHFFFAOYSA-N 0 3 307.369 2.186 10 30 DEEEHN C=CCN(CC=C)C(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246515934 527612627 /nfs/dbraw/zinc/61/26/27/527612627.db2.gz IMTSUPOTDXSFNU-FUHWJXTLSA-N 0 3 317.477 2.136 10 30 DEEEHN C#CCCOc1ccc(CN2CCC(OCCCO)CC2)cc1 ZINC000093694619 684050496 /nfs/dbraw/zinc/05/04/96/684050496.db2.gz BXYQLYYJFVSZQO-UHFFFAOYSA-N 0 3 317.429 2.452 10 30 DEEEHN COCCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000120803940 684100682 /nfs/dbraw/zinc/10/06/82/684100682.db2.gz JTNHKCQTUIZDNC-CVEARBPZSA-N 0 3 317.433 2.130 10 30 DEEEHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376611 684219182 /nfs/dbraw/zinc/21/91/82/684219182.db2.gz IAVZREMJBNKRRO-VXNVDRBHSA-N 0 3 315.156 2.216 10 30 DEEEHN COC(=O)[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245507007 685113576 /nfs/dbraw/zinc/11/35/76/685113576.db2.gz PACIGCKHJZLYQG-UKRRQHHQSA-N 0 3 302.374 2.362 10 30 DEEEHN CC(C)c1nnsc1C(=O)Nc1cccc(C#CCN)c1 ZINC000087443187 185225272 /nfs/dbraw/zinc/22/52/72/185225272.db2.gz CQPCEOJPOJBOLZ-UHFFFAOYSA-N 0 3 300.387 2.224 10 30 DEEEHN C#CCN[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000083758727 192381594 /nfs/dbraw/zinc/38/15/94/192381594.db2.gz JEUHXYDSDBXXPG-ZETCQYMHSA-N 0 3 322.000 2.027 10 30 DEEEHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)NC(=O)NC2CC2)C1 ZINC000328739186 539910073 /nfs/dbraw/zinc/91/00/73/539910073.db2.gz MOAUSISBSMZMKU-BEAPCOKYSA-N 0 3 323.437 2.281 10 30 DEEEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173652872 198236043 /nfs/dbraw/zinc/23/60/43/198236043.db2.gz BUXCLJAADFBLNG-XJKSGUPXSA-N 0 3 323.400 2.277 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1csc(C)c1 ZINC000592188383 357848138 /nfs/dbraw/zinc/84/81/38/357848138.db2.gz OKZRMRVZYTTXHS-AAEUAGOBSA-N 0 3 309.435 2.498 10 30 DEEEHN C=C(C)[C@H](CO)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000594017847 358190081 /nfs/dbraw/zinc/19/00/81/358190081.db2.gz MUBZDAQIQAAMMU-XHSDSOJGSA-N 0 3 323.820 2.465 10 30 DEEEHN CC(=O)N(C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594442919 358273417 /nfs/dbraw/zinc/27/34/17/358273417.db2.gz CXHPFOYVDHDPDY-HNNXBMFYSA-N 0 3 302.378 2.019 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccnc(C#N)c1 ZINC000193826900 201129394 /nfs/dbraw/zinc/12/93/94/201129394.db2.gz YAJCNPIZGYSICH-KDOFPFPSSA-N 0 3 320.396 2.204 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CC2(F)F)CC1 ZINC000621417469 364394424 /nfs/dbraw/zinc/39/44/24/364394424.db2.gz ZYQGUETZLCXXMW-GFCCVEGCSA-N 0 3 301.381 2.371 10 30 DEEEHN C[C@@H](N)[C@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259206 183348824 /nfs/dbraw/zinc/34/88/24/183348824.db2.gz ZRQOYUKDMVDTRH-LDYMZIIASA-N 0 3 313.224 2.248 10 30 DEEEHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCOC ZINC000052808304 183874651 /nfs/dbraw/zinc/87/46/51/183874651.db2.gz GHIPCKWHNFVTEA-NSHDSACASA-N 0 3 302.827 2.280 10 30 DEEEHN C[C@@H](NS(=O)(=O)c1ccc(C#CCN)cc1)c1ccsc1 ZINC000061372083 184169683 /nfs/dbraw/zinc/16/96/83/184169683.db2.gz PZLKMNHVMIKGBI-GFCCVEGCSA-N 0 3 320.439 2.098 10 30 DEEEHN CC1(C)CC(=O)N(c2cc(C#CCN)ccc2Cl)C(=O)C1 ZINC000061826048 184188685 /nfs/dbraw/zinc/18/86/85/184188685.db2.gz KYEUNVXSDPBNKX-UHFFFAOYSA-N 0 3 304.777 2.330 10 30 DEEEHN OCC#Cc1ccsc1CN1CC[C@H](N2CCCCC2)C1 ZINC000062982338 184264038 /nfs/dbraw/zinc/26/40/38/184264038.db2.gz RPFZDHPLAXVNJJ-INIZCTEOSA-N 0 3 304.459 2.152 10 30 DEEEHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000371766029 148138701 /nfs/dbraw/zinc/13/87/01/148138701.db2.gz ODIGTHPKCKIRFL-IAGOWNOFSA-N 0 3 300.402 2.310 10 30 DEEEHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128530647 401781607 /nfs/dbraw/zinc/78/16/07/401781607.db2.gz XRAFFPMDGFRAIL-CVEARBPZSA-N 0 3 302.422 2.157 10 30 DEEEHN C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370003 401866046 /nfs/dbraw/zinc/86/60/46/401866046.db2.gz HTXQHSOXUGJFGN-RHSMWYFYSA-N 0 3 315.417 2.016 10 30 DEEEHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000150938887 402005954 /nfs/dbraw/zinc/00/59/54/402005954.db2.gz CJNCFEZDUUXKJK-BGARDKSCSA-N 0 3 303.406 2.278 10 30 DEEEHN N#Cc1cccc(OCCN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152581983 402100771 /nfs/dbraw/zinc/10/07/71/402100771.db2.gz DDCNCEMCVKFMKK-GOSISDBHSA-N 0 3 309.369 2.485 10 30 DEEEHN CC[C@@](C)(O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000123468523 402129347 /nfs/dbraw/zinc/12/93/47/402129347.db2.gz XPJPVXQDDPRTPV-LJQANCHMSA-N 0 3 324.428 2.389 10 30 DEEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186711014 402458516 /nfs/dbraw/zinc/45/85/16/402458516.db2.gz URMIOTLDWUECAF-HIFRSBDPSA-N 0 3 308.397 2.250 10 30 DEEEHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1C ZINC000178573063 402513284 /nfs/dbraw/zinc/51/32/84/402513284.db2.gz KZISHXVLRVSKEO-HNNXBMFYSA-N 0 3 316.405 2.099 10 30 DEEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000247316471 402563532 /nfs/dbraw/zinc/56/35/32/402563532.db2.gz MGEYGVROALOQHY-OFQRWUPVSA-N 0 3 315.417 2.170 10 30 DEEEHN COc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1OC ZINC000180887941 402629316 /nfs/dbraw/zinc/62/93/16/402629316.db2.gz OSKVZNDUEAMQKT-CYBMUJFWSA-N 0 3 319.405 2.117 10 30 DEEEHN C[C@H]1CC(O)C[C@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000191172278 402648189 /nfs/dbraw/zinc/64/81/89/402648189.db2.gz HQXZUFPGWCDMDB-QWRGUYRKSA-N 0 3 307.419 2.182 10 30 DEEEHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1OC ZINC000194719590 402812423 /nfs/dbraw/zinc/81/24/23/402812423.db2.gz IDAMINLIMWQCHP-AWEZNQCLSA-N 0 3 304.390 2.084 10 30 DEEEHN Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)nnn1C(C)C ZINC000328834436 404159345 /nfs/dbraw/zinc/15/93/45/404159345.db2.gz LUDGOTVBDUPENR-AGUYFDCRSA-N 0 3 305.426 2.487 10 30 DEEEHN C=C[C@](C)(O)CC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000355928432 404378836 /nfs/dbraw/zinc/37/88/36/404378836.db2.gz ATDCGYVLNSXYPK-OALUTQOASA-N 0 3 316.445 2.484 10 30 DEEEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329800977 404456528 /nfs/dbraw/zinc/45/65/28/404456528.db2.gz YNQNFBWYXZKJJL-LYYZXLFJSA-N 0 3 310.438 2.115 10 30 DEEEHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CN1C1CC1 ZINC000330217403 404589485 /nfs/dbraw/zinc/58/94/85/404589485.db2.gz NWGDYLRIVXNFFT-FAXLKDOZSA-N 0 3 318.421 2.079 10 30 DEEEHN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCCN2CC)cn1 ZINC000330308006 404621900 /nfs/dbraw/zinc/62/19/00/404621900.db2.gz SNJYRKDXEFKWMO-HRCADAONSA-N 0 3 320.437 2.421 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000424298072 405060634 /nfs/dbraw/zinc/06/06/34/405060634.db2.gz RXJKQFKHFSZKST-DZKIICNBSA-N 0 3 309.431 2.030 10 30 DEEEHN CCN1C[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408468079 405213253 /nfs/dbraw/zinc/21/32/53/405213253.db2.gz PTZQZJSYTXPFBP-HOTGVXAUSA-N 0 3 320.481 2.086 10 30 DEEEHN C=CCC1(C(=O)Nc2ccc3c(c2)OCCNC3)CCOCC1 ZINC000638671133 405609384 /nfs/dbraw/zinc/60/93/84/405609384.db2.gz MGHBQZVAVWXFFW-UHFFFAOYSA-N 0 3 316.401 2.480 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]12CCOC2)C(C)C ZINC000422171998 405661688 /nfs/dbraw/zinc/66/16/88/405661688.db2.gz NSVKCLAMVQFIKB-FUHWJXTLSA-N 0 3 321.465 2.259 10 30 DEEEHN C=CCOc1ccccc1CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000529668334 405763313 /nfs/dbraw/zinc/76/33/13/405763313.db2.gz JOPYBQZHDQADLE-HDICACEKSA-N 0 3 305.418 2.064 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)[C@]1(COC)CCCCN1 ZINC000637993903 406513953 /nfs/dbraw/zinc/51/39/53/406513953.db2.gz OQLMPTNSXLJNRR-GOSISDBHSA-N 0 3 318.417 2.026 10 30 DEEEHN C=CCC1(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CCCC1 ZINC000638419281 406762077 /nfs/dbraw/zinc/76/20/77/406762077.db2.gz GGTQOTNEFJJASD-KRWDZBQOSA-N 0 3 315.461 2.451 10 30 DEEEHN CCN[C@@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133026841 196306355 /nfs/dbraw/zinc/30/63/55/196306355.db2.gz KPDSVJRTLZZUFS-LLVKDONJSA-N 0 3 308.179 2.036 10 30 DEEEHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000333261849 226104316 /nfs/dbraw/zinc/10/43/16/226104316.db2.gz UPYLCQCKFWBCEN-OFQRWUPVSA-N 0 3 304.438 2.385 10 30 DEEEHN N#CCCn1cc(CN2C[C@@H](O)C3(CC3)C2)c(-c2ccccc2)n1 ZINC000368800997 227020224 /nfs/dbraw/zinc/02/02/24/227020224.db2.gz UXCPWAFBKDPBII-QGZVFWFLSA-N 0 3 322.412 2.420 10 30 DEEEHN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000184806297 337200359 /nfs/dbraw/zinc/20/03/59/337200359.db2.gz YSHZQZQJSPGKOP-AWEZNQCLSA-N 0 3 318.417 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C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000452126112 405185201 /nfs/dbraw/zinc/18/52/01/405185201.db2.gz QJYPQQYGDBRVGG-PBHICJAKSA-N 0 3 322.412 2.290 10 30 DEEEHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CCOCC1 ZINC000424839321 405193161 /nfs/dbraw/zinc/19/31/61/405193161.db2.gz PEBNHLGCMWPSPG-HOTGVXAUSA-N 0 3 306.450 2.445 10 30 DEEEHN C=CCC[C@H]1NC(=O)N(C[C@@H]2CCN2C2CCCCC2)C1=O ZINC000530200532 405775564 /nfs/dbraw/zinc/77/55/64/405775564.db2.gz GMDQXQSDVYUBNP-LSDHHAIUSA-N 0 3 305.422 2.280 10 30 DEEEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000518076806 406128856 /nfs/dbraw/zinc/12/88/56/406128856.db2.gz KVDYTVAEQMYXLC-AWEZNQCLSA-N 0 3 306.454 2.442 10 30 DEEEHN C=CCCC(C)(C)CNS(=O)(=O)CCCN1CCCC1 ZINC000632640843 406209511 /nfs/dbraw/zinc/20/95/11/406209511.db2.gz FKGAYOKVQDIRIP-UHFFFAOYSA-N 0 3 302.484 2.384 10 30 DEEEHN C=CCCCN(C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000572606104 406701243 /nfs/dbraw/zinc/70/12/43/406701243.db2.gz FCKCUWAUUJPTIC-UHFFFAOYSA-N 0 3 302.827 2.385 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527896066 406782742 /nfs/dbraw/zinc/78/27/42/406782742.db2.gz BUMPQKLBDGNJHJ-XIRDDKMYSA-N 0 3 321.465 2.284 10 30 DEEEHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129083602 196018426 /nfs/dbraw/zinc/01/84/26/196018426.db2.gz OWGCIFHKQLRKDH-LBPRGKRZSA-N 0 3 303.793 2.272 10 30 DEEEHN C[C@@H](C[C@H]1COCCN1)Nc1ccc(Br)cc1C#N ZINC000134162287 196366765 /nfs/dbraw/zinc/36/67/65/196366765.db2.gz KEHSIVUUHBAJGC-GWCFXTLKSA-N 0 3 324.222 2.500 10 30 DEEEHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000121581387 281759056 /nfs/dbraw/zinc/75/90/56/281759056.db2.gz GBHJXADZYNVPOJ-UHFFFAOYSA-N 0 3 322.412 2.466 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542321993 341004954 /nfs/dbraw/zinc/00/49/54/341004954.db2.gz FAZLOPQLVOAWCW-GDBMZVCRSA-N 0 3 315.417 2.185 10 30 DEEEHN C=C(C)CN(C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012578695 518588998 /nfs/dbraw/zinc/58/89/98/518588998.db2.gz 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/nfs/dbraw/zinc/68/81/62/625688162.db2.gz DCCYGUMOEVLPRT-UHFFFAOYSA-N 0 3 317.320 2.229 10 30 DEEEHN C[C@H](C#N)OCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000801861841 645453132 /nfs/dbraw/zinc/45/31/32/645453132.db2.gz LSTDONUJDKDRRM-CQSZACIVSA-N 0 3 302.374 2.368 10 30 DEEEHN COCCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@@H]1C ZINC000120804097 684101028 /nfs/dbraw/zinc/10/10/28/684101028.db2.gz JTNHKCQTUIZDNC-HOTGVXAUSA-N 0 3 317.433 2.130 10 30 DEEEHN CN1CCC[C@H]2[C@@H]1CCN2c1ncc(Br)cc1C#N ZINC000720827609 1086176788 /nfs/dbraw/zinc/17/67/88/1086176788.db2.gz DPSAGUGTNNRYSW-STQMWFEESA-N 0 3 321.222 2.389 10 30 DEEEHN NCC#Cc1ccsc1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000088436901 185250335 /nfs/dbraw/zinc/25/03/35/185250335.db2.gz YOQAWKBYVCAFLB-NSHDSACASA-N 0 3 316.348 2.473 10 30 DEEEHN C=CCN(CC=C)S(=O)(=O)c1ccc(CNCC(C)C)o1 ZINC000088543396 185256425 /nfs/dbraw/zinc/25/64/25/185256425.db2.gz BKUMPHKHOROEDI-UHFFFAOYSA-N 0 3 312.435 2.388 10 30 DEEEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2OCC#N)C1 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DEEEHN CC#CCCCC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000620908768 364198495 /nfs/dbraw/zinc/19/84/95/364198495.db2.gz ADBKMIKGIIEUGO-INIZCTEOSA-N 0 3 306.450 2.282 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000623635042 365110268 /nfs/dbraw/zinc/11/02/68/365110268.db2.gz PUDXKMIOBCOCNX-CABCVRRESA-N 0 3 309.479 2.316 10 30 DEEEHN Cn1c(C#N)ccc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000449873533 241195623 /nfs/dbraw/zinc/19/56/23/241195623.db2.gz UFZUNHKSSYSULG-QGZVFWFLSA-N 0 3 322.412 2.291 10 30 DEEEHN CC[C@H](NC(=O)c1csc(C#CCN)c1)c1nccs1 ZINC000093976579 193333179 /nfs/dbraw/zinc/33/31/79/193333179.db2.gz ZIYISWGPAAZOCC-LBPRGKRZSA-N 0 3 305.428 2.396 10 30 DEEEHN C[C@@H](C(=O)Nc1cc(C#CCN)ccc1Cl)n1cccn1 ZINC000061691933 184183043 /nfs/dbraw/zinc/18/30/43/184183043.db2.gz UEVQYFIAFWZXOA-NSHDSACASA-N 0 3 302.765 2.046 10 30 DEEEHN Cc1ccc(S(=O)(=O)NCCCC(C)C)c(C#CCN)c1 ZINC000062096786 184205953 /nfs/dbraw/zinc/20/59/53/184205953.db2.gz JBFSRPVCUUXOMW-UHFFFAOYSA-N 0 3 308.447 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/nfs/dbraw/zinc/44/18/91/402441891.db2.gz KFOYFGTUWQODML-OAHLLOKOSA-N 0 3 324.471 2.207 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000178322232 402484799 /nfs/dbraw/zinc/48/47/99/402484799.db2.gz MEVBYFREHVARIH-RDJZCZTQSA-N 0 3 316.449 2.245 10 30 DEEEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CCN1C ZINC000174767753 402756132 /nfs/dbraw/zinc/75/61/32/402756132.db2.gz CYAGTFXVFTTXSR-IUODEOHRSA-N 0 3 318.396 2.321 10 30 DEEEHN C#CCCOc1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284218650 403254541 /nfs/dbraw/zinc/25/45/41/403254541.db2.gz ZYJLYRZZUFXZRK-FUHWJXTLSA-N 0 3 319.445 2.336 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(N)=O ZINC000285208025 403279376 /nfs/dbraw/zinc/27/93/76/403279376.db2.gz TXJJGCQHYNEBIN-MOPGFXCFSA-N 0 3 306.409 2.307 10 30 DEEEHN N#Cc1ccc(N2CCC[C@@H]2CN2CCC[C@@H]2CO)c(F)c1 ZINC000301723507 403669765 /nfs/dbraw/zinc/66/97/65/403669765.db2.gz OGTGWNRUMRUJPR-HUUCEWRRSA-N 0 3 303.381 2.123 10 30 DEEEHN 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196305916 /nfs/dbraw/zinc/30/59/16/196305916.db2.gz LBZUEPDUIFICMI-LBPRGKRZSA-N 0 3 322.206 2.426 10 30 DEEEHN Cc1cc(C#N)cc(NCC2(N3CCSCC3)CCCC2)n1 ZINC000587197463 424993653 /nfs/dbraw/zinc/99/36/53/424993653.db2.gz RAVCVQSUURGMBA-UHFFFAOYSA-N 0 3 316.474 3.035 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccccc1C#N ZINC000284581271 267264214 /nfs/dbraw/zinc/26/42/14/267264214.db2.gz IJYQXULLNUOCRF-BZSNNMDCSA-N 0 3 300.402 2.310 10 30 DEEEHN C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352086271 275747275 /nfs/dbraw/zinc/74/72/75/275747275.db2.gz ZWTYKTYPARJESB-MAZHCROVSA-N 0 3 321.852 2.366 10 30 DEEEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329604634 277038844 /nfs/dbraw/zinc/03/88/44/277038844.db2.gz YZIUADTXCDABRD-LJISPDSOSA-N 0 3 310.438 2.115 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCOC[C@H]1C)C(C)C ZINC000277565828 277851631 /nfs/dbraw/zinc/85/16/31/277851631.db2.gz SDFLWACOGXMXTO-IXDOHACOSA-N 0 3 323.481 2.409 10 30 DEEEHN 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C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1ccnn1C)C(C)C ZINC000421768326 405638813 /nfs/dbraw/zinc/63/88/13/405638813.db2.gz DZVNIYZDYZUSPM-WBVHZDCISA-N 0 3 318.465 2.338 10 30 DEEEHN C=C1CC(C)(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000633619221 405748838 /nfs/dbraw/zinc/74/88/38/405748838.db2.gz UVSRNHKTNNQICX-KRWDZBQOSA-N 0 3 314.429 2.226 10 30 DEEEHN C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000634194941 406050530 /nfs/dbraw/zinc/05/05/30/406050530.db2.gz ZBUXCNYLLMTYOI-AWEZNQCLSA-N 0 3 302.422 2.374 10 30 DEEEHN C=CC[C@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638409943 406755059 /nfs/dbraw/zinc/75/50/59/406755059.db2.gz SYABZYNEAXLPNI-WMZOPIPTSA-N 0 3 315.461 2.260 10 30 DEEEHN Cc1ccc(CNC(=O)c2ccc(C#CCN)c(Cl)c2)o1 ZINC000129126024 196021657 /nfs/dbraw/zinc/02/16/57/196021657.db2.gz BOELPLKVQWPUMA-UHFFFAOYSA-N 0 3 302.761 2.482 10 30 DEEEHN C#CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000133222983 196323138 /nfs/dbraw/zinc/32/31/38/196323138.db2.gz 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ZINC000193759364 201118225 /nfs/dbraw/zinc/11/82/25/201118225.db2.gz NSEZEYYJVGGXLF-CQSZACIVSA-N 0 3 308.385 2.204 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000628489616 366865508 /nfs/dbraw/zinc/86/55/08/366865508.db2.gz BJQBOSVTBAKCOV-CQSZACIVSA-N 0 3 303.406 2.060 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000623586664 365091766 /nfs/dbraw/zinc/09/17/66/365091766.db2.gz FRBSSHCTELEUES-OAHLLOKOSA-N 0 3 323.481 2.483 10 30 DEEEHN C[C@H](NC(=O)c1ccc(C#N)n1C)[C@H](c1ccccc1)N(C)C ZINC000450705472 242127283 /nfs/dbraw/zinc/12/72/83/242127283.db2.gz XHARVJDODBOYGK-SUMWQHHRSA-N 0 3 310.401 2.318 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(C[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000630971396 367944244 /nfs/dbraw/zinc/94/42/44/367944244.db2.gz APJXHZHEOAQORB-GOEBONIOSA-N 0 3 315.417 2.394 10 30 DEEEHN CCCO[C@H]1CCCN(C(=O)c2csc(C#CCN)c2)C1 ZINC000093976142 193333351 /nfs/dbraw/zinc/33/33/51/193333351.db2.gz BLLCQGZHLRPOJY-AWEZNQCLSA-N 0 3 306.431 2.090 10 30 DEEEHN CC[C@@H](C)N(CCOC)C(=O)c1cc(C)c(C#CCN)s1 ZINC000094536555 193378564 /nfs/dbraw/zinc/37/85/64/193378564.db2.gz GWHATOCLGFPPHN-CYBMUJFWSA-N 0 3 308.447 2.254 10 30 DEEEHN C[C@@H](N(C)S(=O)(=O)c1ccccc1C#CCN)C(C)(C)C ZINC000042830781 183313057 /nfs/dbraw/zinc/31/30/57/183313057.db2.gz ZZGLKAXPMGOTAH-CYBMUJFWSA-N 0 3 308.447 2.052 10 30 DEEEHN NCC#Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)nc1 ZINC000061872379 184190717 /nfs/dbraw/zinc/19/07/17/184190717.db2.gz AEGRVYJYHUBOEA-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN COCCNCc1cccc(Br)c1O[C@H](C)C#N ZINC000062733851 184251535 /nfs/dbraw/zinc/25/15/35/184251535.db2.gz MKEWPVLZTPUHKK-SNVBAGLBSA-N 0 3 313.195 2.476 10 30 DEEEHN NCC#Cc1cc(NC(=O)NCC(F)(F)F)ccc1Cl ZINC000158104706 197243665 /nfs/dbraw/zinc/24/36/65/197243665.db2.gz MCAGFVRHPLYRDY-UHFFFAOYSA-N 0 3 305.687 2.334 10 30 DEEEHN CC[C@H]1CN(C(=O)c2cc(C)c(C#CCN)s2)CCS1 ZINC000157977608 197232204 /nfs/dbraw/zinc/23/22/04/197232204.db2.gz JGROTVDMOVCRTG-LBPRGKRZSA-N 0 3 308.472 2.334 10 30 DEEEHN CC[C@H]1CN(C(=O)c2cc(C)ccc2C#CCN)CCS1 ZINC000157978205 197232094 /nfs/dbraw/zinc/23/20/94/197232094.db2.gz HDLVCJXVNCZJQN-HNNXBMFYSA-N 0 3 302.443 2.273 10 30 DEEEHN C[C@H](CNC(=O)c1cc(C#N)cn1C)N(C)Cc1ccccc1 ZINC000081535442 401896486 /nfs/dbraw/zinc/89/64/86/401896486.db2.gz FFXUKVHPZOTBBF-CQSZACIVSA-N 0 3 310.401 2.147 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1cnc(C#N)cn1 ZINC000125346674 402226714 /nfs/dbraw/zinc/22/67/14/402226714.db2.gz GTAWRQQOEUZXDO-OAHLLOKOSA-N 0 3 307.401 2.449 10 30 DEEEHN CCOCCN1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000186207834 402410968 /nfs/dbraw/zinc/41/09/68/402410968.db2.gz QPDALUDQLYOIRT-INIZCTEOSA-N 0 3 301.434 2.409 10 30 DEEEHN C[C@H](C#N)CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000187791324 402511373 /nfs/dbraw/zinc/51/13/73/402511373.db2.gz SFSIIPJQUYSZSU-CRAIPNDOSA-N 0 3 314.433 2.500 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248179641 402584876 /nfs/dbraw/zinc/58/48/76/402584876.db2.gz WEKQMWXODVOKDX-BQFCYCMXSA-N 0 3 306.450 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C=CCOc1ccc(CN(CCO)[C@H]2CCO[C@H]2C)cc1OC ZINC000449676320 405685380 /nfs/dbraw/zinc/68/53/80/405685380.db2.gz GIPDRKZFZPIJMJ-HOCLYGCPSA-N 0 3 321.417 2.232 10 30 DEEEHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CCN(C)C)c1 ZINC000633606042 405741583 /nfs/dbraw/zinc/74/15/83/405741583.db2.gz YXMIZBLIUCMXQJ-GDBMZVCRSA-N 0 3 304.438 2.309 10 30 DEEEHN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)CN1Cc1ccccc1 ZINC000450107411 405743093 /nfs/dbraw/zinc/74/30/93/405743093.db2.gz QTNDYAYVCIWKDB-HOCLYGCPSA-N 0 3 322.412 2.290 10 30 DEEEHN C=C1CC(C)(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000632375288 406111891 /nfs/dbraw/zinc/11/18/91/406111891.db2.gz PRYRHASBNJDPMO-QGZVFWFLSA-N 0 3 314.429 2.226 10 30 DEEEHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1cccc(C#N)c1 ZINC000533192875 406127327 /nfs/dbraw/zinc/12/73/27/406127327.db2.gz PSTZIIIRLNZHKO-UHFFFAOYSA-N 0 3 322.412 2.086 10 30 DEEEHN C=CCOc1ccc(CNC[C@H](O)C[C@@](C)(O)C2CC2)cc1 ZINC000634714286 406241022 /nfs/dbraw/zinc/24/10/22/406241022.db2.gz JCSDMCKNKCLETO-SJLPKXTDSA-N 0 3 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10 30 DEEEHN CC(=O)N(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594445047 358273628 /nfs/dbraw/zinc/27/36/28/358273628.db2.gz OABBXBAVLNDJHZ-ZDUSSCGKSA-N 0 3 302.378 2.019 10 30 DEEEHN C=CC[C@@H](CO)NCc1cccc(Br)c1OC ZINC000187360225 200101691 /nfs/dbraw/zinc/10/16/91/200101691.db2.gz LRTOCBFBNXNFEX-NSHDSACASA-N 0 3 300.196 2.484 10 30 DEEEHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1CCC(C#N)CC1 ZINC000442734498 238069259 /nfs/dbraw/zinc/06/92/59/238069259.db2.gz DMGOPXGDIAMBMF-PRLABOORSA-N 0 3 306.454 2.298 10 30 DEEEHN C=C[C@H](NC[C@H]1CCCN(C)[C@H]1c1cccs1)C(=O)OC ZINC000619702773 363861126 /nfs/dbraw/zinc/86/11/26/363861126.db2.gz RTZQPVYHMCRAIM-VNHYZAJKSA-N 0 3 308.447 2.448 10 30 DEEEHN C=CCOc1ccc(CNC[C@H]2COCCN2C)cc1Cl ZINC000623712029 365142067 /nfs/dbraw/zinc/14/20/67/365142067.db2.gz VVQIXZZPHDXXBZ-AWEZNQCLSA-N 0 3 310.825 2.325 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CCN2C2CCCCC2)C1=O ZINC000630986009 367952324 /nfs/dbraw/zinc/95/23/24/367952324.db2.gz MFLSEMRBSSPIRF-LSDHHAIUSA-N 0 3 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302.443 2.273 10 30 DEEEHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000193125337 533344137 /nfs/dbraw/zinc/34/41/37/533344137.db2.gz IKGZPTPDXPYKON-GDBMZVCRSA-N 0 3 301.390 2.090 10 30 DEEEHN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000549260610 285837789 /nfs/dbraw/zinc/83/77/89/285837789.db2.gz DPPOEIUXNOJEDO-DOTOQJQBSA-N 0 3 318.392 2.355 10 30 DEEEHN Cn1cc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cc1C#N ZINC000191315759 145055857 /nfs/dbraw/zinc/05/58/57/145055857.db2.gz CMXDDXVEYWYDGP-CYBMUJFWSA-N 0 3 315.808 2.314 10 30 DEEEHN N#Cc1ccsc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000248345666 145151032 /nfs/dbraw/zinc/15/10/32/145151032.db2.gz NARPQPYGGWMMNJ-AWEZNQCLSA-N 0 3 318.446 2.118 10 30 DEEEHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000110995472 401696975 /nfs/dbraw/zinc/69/69/75/401696975.db2.gz ZHXDZLYULVTCHZ-GDBMZVCRSA-N 0 3 315.417 2.316 10 30 DEEEHN CN(C)C(=O)[C@@H](Cc1ccccc1)NCc1cccc(C#N)c1 ZINC000067122790 402153125 /nfs/dbraw/zinc/15/31/25/402153125.db2.gz 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/nfs/dbraw/zinc/47/97/28/402479728.db2.gz NCEYIJXDDNCKFX-NVXWUHKLSA-N 0 3 318.465 2.469 10 30 DEEEHN N#Cc1ccc(CN2CCC(CCCN3CCOCC3)CC2)o1 ZINC000180795315 402626574 /nfs/dbraw/zinc/62/65/74/402626574.db2.gz BGDNKNUETLTWED-UHFFFAOYSA-N 0 3 317.433 2.476 10 30 DEEEHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000180094954 402607135 /nfs/dbraw/zinc/60/71/35/402607135.db2.gz UTHVHTSEBHYRRZ-QWHCGFSZSA-N 0 3 302.378 2.145 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180618368 402621557 /nfs/dbraw/zinc/62/15/57/402621557.db2.gz AKXGCKYNPGGVJP-CQSZACIVSA-N 0 3 319.453 2.163 10 30 DEEEHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000183140099 402742530 /nfs/dbraw/zinc/74/25/30/402742530.db2.gz FPDORAPOJMMOQM-HZMBPMFUSA-N 0 3 307.781 2.307 10 30 DEEEHN CC(=O)c1ccc(C#N)c(NC2CCN(CCN(C)C)CC2)c1 ZINC000273170304 402979311 /nfs/dbraw/zinc/97/93/11/402979311.db2.gz DWRIPHJQBPUMCH-UHFFFAOYSA-N 0 3 314.433 2.199 10 30 DEEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCCO 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C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347778399 403861732 /nfs/dbraw/zinc/86/17/32/403861732.db2.gz CSMZXXDMQWLCHW-HRCADAONSA-N 0 3 308.466 2.304 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347778400 403862713 /nfs/dbraw/zinc/86/27/13/403862713.db2.gz CSMZXXDMQWLCHW-JYJNAYRXSA-N 0 3 308.466 2.304 10 30 DEEEHN C=CCOc1ccc(CN[C@@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000362529823 403962045 /nfs/dbraw/zinc/96/20/45/403962045.db2.gz UEHTYOWRYNJXGC-MSOLQXFVSA-N 0 3 321.417 2.162 10 30 DEEEHN C[C@H]1CN2CCC[C@@H]2CN1c1ncc(Br)cc1C#N ZINC000297054750 404430801 /nfs/dbraw/zinc/43/08/01/404430801.db2.gz IOLTZRZQCKAVHL-GXFFZTMASA-N 0 3 321.222 2.389 10 30 DEEEHN C=CCn1c(N(C)[C@@H]2CCN(C3CC3)C2)nnc1C(C)(C)C ZINC000351077527 404510472 /nfs/dbraw/zinc/51/04/72/404510472.db2.gz WOYQDEDPKRLKGS-CQSZACIVSA-N 0 3 303.454 2.435 10 30 DEEEHN C=CCC1(C(=O)N2CCN(c3ccncc3OC)CC2)CCC1 ZINC000358301213 404758725 /nfs/dbraw/zinc/75/87/25/404758725.db2.gz 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ZINC000329441120 289395003 /nfs/dbraw/zinc/39/50/03/289395003.db2.gz BGEFCCRTDUQKLJ-RBGFHDKUSA-N 0 3 310.438 2.115 10 30 DEEEHN C=CCCCCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000517757448 331755055 /nfs/dbraw/zinc/75/50/55/331755055.db2.gz RJTZXSWWUNRFCA-UHFFFAOYSA-N 0 3 323.481 2.487 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178333004 337162132 /nfs/dbraw/zinc/16/21/32/337162132.db2.gz KKMZKLFCNBFBCV-MRXNPFEDSA-N 0 3 304.438 2.081 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2C(F)F)CC1 ZINC000337690658 526425747 /nfs/dbraw/zinc/42/57/47/526425747.db2.gz OATKLZFICDXQBP-ZDUSSCGKSA-N 0 3 301.381 2.466 10 30 DEEEHN C=CCN1CC[C@H](N[C@H](c2ccccc2)[C@@H]2CCOC2)C1=O ZINC000337175031 526515691 /nfs/dbraw/zinc/51/56/91/526515691.db2.gz HSIVWQIRXCKWGO-IXDOHACOSA-N 0 3 300.402 2.141 10 30 DEEEHN C=CCOc1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000341278961 526888779 /nfs/dbraw/zinc/88/87/79/526888779.db2.gz VFXBFMMCXKOPIS-NVXWUHKLSA-N 0 3 307.434 2.499 10 30 DEEEHN C=CCOc1cccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1 ZINC000418115471 526902668 /nfs/dbraw/zinc/90/26/68/526902668.db2.gz PJBDENMCIACICO-HZPDHXFCSA-N 0 3 304.434 2.138 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000805183673 640091092 /nfs/dbraw/zinc/09/10/92/640091092.db2.gz JUULTFKMAXRYQT-DLBZAZTESA-N 0 3 311.429 2.157 10 30 DEEEHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCO[C@@H](C)C1 ZINC000172610009 646745200 /nfs/dbraw/zinc/74/52/00/646745200.db2.gz DXXSTZITEKDJHB-ZDUSSCGKSA-N 0 3 311.389 2.194 10 30 DEEEHN COC(=O)N[C@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000068335905 648446039 /nfs/dbraw/zinc/44/60/39/648446039.db2.gz USXLDWGRMVPRQL-GHMZBOCLSA-N 0 3 309.391 2.399 10 30 DEEEHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1OCC#N ZINC000194160483 685058977 /nfs/dbraw/zinc/05/89/77/685058977.db2.gz ICTFMNUERSNVGZ-CQSZACIVSA-N 0 3 301.390 2.193 10 30 DEEEHN COc1cccc([C@@H]2C[C@@H]2C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000246390823 685129239 /nfs/dbraw/zinc/12/92/39/685129239.db2.gz VQPSXFAQDAQQMK-KKUMJFAQSA-N 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LLPYNQFRWCZOML-UONOGXRCSA-N 0 3 308.447 2.100 10 30 DEEEHN C=CC[C@H](C(=O)N1CCC[C@@](O)(CN(C)C)C1)c1ccccc1 ZINC000614065917 362274541 /nfs/dbraw/zinc/27/45/41/362274541.db2.gz XVPGGPBYUABWPT-PKOBYXMFSA-N 0 3 316.445 2.261 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000625699533 365874970 /nfs/dbraw/zinc/87/49/70/365874970.db2.gz AGHFEQHXQKAYMC-AWEZNQCLSA-N 0 3 306.381 2.219 10 30 DEEEHN C=CC[C@@H]1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000625702323 365874233 /nfs/dbraw/zinc/87/42/33/365874233.db2.gz XIDOFBUNLGWFKC-GDBMZVCRSA-N 0 3 300.402 2.004 10 30 DEEEHN CC#CCN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794741 365905018 /nfs/dbraw/zinc/90/50/18/365905018.db2.gz MCTTUICUSHWPCA-OAHLLOKOSA-N 0 3 308.219 2.282 10 30 DEEEHN Cc1nn(C)c(C)c1CN1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679187 191005924 /nfs/dbraw/zinc/00/59/24/191005924.db2.gz RNYNEHGRNWIMPU-KRWDZBQOSA-N 0 3 323.400 2.324 10 30 DEEEHN NCC#Cc1ccsc1CNC(=O)Cc1cccc(F)c1 ZINC000148647835 186045628 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355905831 /nfs/dbraw/zinc/90/58/31/355905831.db2.gz IAOWEKCITRAWNK-INIZCTEOSA-N 0 3 311.341 2.160 10 30 DEEEHN C[C@H](C#N)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000182617383 356133072 /nfs/dbraw/zinc/13/30/72/356133072.db2.gz DOUCHLALLUWYFK-NVXWUHKLSA-N 0 3 314.433 2.500 10 30 DEEEHN C=C[C@@H](NC[C@H]1CCCCN1Cc1ccccc1)C(=O)OC ZINC000379617799 356668101 /nfs/dbraw/zinc/66/81/01/356668101.db2.gz NOYFYMWMESRLOL-IAGOWNOFSA-N 0 3 302.418 2.358 10 30 DEEEHN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000626843224 366343540 /nfs/dbraw/zinc/34/35/40/366343540.db2.gz KIAMSVTVMQDLOI-UHFFFAOYSA-N 0 3 303.406 2.111 10 30 DEEEHN C=CCN1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594221559 358226630 /nfs/dbraw/zinc/22/66/30/358226630.db2.gz QHBBRYOZLUDSKZ-UHFFFAOYSA-N 0 3 310.401 2.234 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000595877785 358570513 /nfs/dbraw/zinc/57/05/13/358570513.db2.gz KDLGGSQALGRFSP-UKRRQHHQSA-N 0 3 315.417 2.049 10 30 DEEEHN C=CCCC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000601968988 360213217 /nfs/dbraw/zinc/21/32/17/360213217.db2.gz QFTXDONKUKYLPY-UHFFFAOYSA-N 0 3 321.446 2.309 10 30 DEEEHN C=C(C)[C@H](CO)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611237536 361556595 /nfs/dbraw/zinc/55/65/95/361556595.db2.gz MKGAHTPNBHDECK-INIZCTEOSA-N 0 3 306.362 2.375 10 30 DEEEHN C=C[C@@H](C(=O)OC)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000619718562 363865105 /nfs/dbraw/zinc/86/51/05/363865105.db2.gz PNEOOJREKQPXBW-WBVHZDCISA-N 0 3 302.418 2.310 10 30 DEEEHN C=CCCO[C@H](C)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629417589 367194309 /nfs/dbraw/zinc/19/43/09/367194309.db2.gz HCAYAKNJSJUFIM-MRXNPFEDSA-N 0 3 324.465 2.071 10 30 DEEEHN Cc1cc(C(=O)NCc2cnc(C)s2)sc1C#CCN ZINC000094536495 193378483 /nfs/dbraw/zinc/37/84/83/193378483.db2.gz OFHFGIFRZSSCKT-UHFFFAOYSA-N 0 3 305.428 2.062 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](COC)CC2)CC1 ZINC000458312981 248257735 /nfs/dbraw/zinc/25/77/35/248257735.db2.gz BWOPVOPEFKEJGN-INIZCTEOSA-N 0 3 323.481 2.485 10 30 DEEEHN CCCOc1ccc(-c2nc(C#N)c(N3CCNCC3)o2)cc1 ZINC000040165749 183043041 /nfs/dbraw/zinc/04/30/41/183043041.db2.gz SPZGLDRGHVRDBF-UHFFFAOYSA-N 0 3 312.373 2.412 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042364680 183259069 /nfs/dbraw/zinc/25/90/69/183259069.db2.gz MSTNZMMAHQPWBY-JGGQBBKZSA-N 0 3 302.443 2.453 10 30 DEEEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110663476 194348042 /nfs/dbraw/zinc/34/80/42/194348042.db2.gz JYAWXDOSPARDAE-MRXNPFEDSA-N 0 3 317.433 2.224 10 30 DEEEHN C=C(C)COc1cc(CN[C@@H]2CCC(=O)N(C)C2)ccc1OC ZINC000119960145 195070228 /nfs/dbraw/zinc/07/02/28/195070228.db2.gz LHRNBFFSVFCBFE-OAHLLOKOSA-N 0 3 318.417 2.361 10 30 DEEEHN CC1(C)CN(C(=O)c2ccc(C#CCN)cc2F)CCS1 ZINC000159026564 197319479 /nfs/dbraw/zinc/31/94/79/197319479.db2.gz JNTLZYFLTBPOIY-UHFFFAOYSA-N 0 3 306.406 2.104 10 30 DEEEHN C#CCN(CC)S(=O)(=O)c1c(C)oc(C)c1CNCCC ZINC000157975137 197232479 /nfs/dbraw/zinc/23/24/79/197232479.db2.gz IQADHRAGGXWOED-UHFFFAOYSA-N 0 3 312.435 2.040 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188365119 145011321 /nfs/dbraw/zinc/01/13/21/145011321.db2.gz MMFMRRUTAHBZMA-PBHICJAKSA-N 0 3 311.429 2.435 10 30 DEEEHN C[C@H]1CCCCN1CCNC(=O)Cc1ccc(OCC#N)cc1 ZINC000110630919 401692434 /nfs/dbraw/zinc/69/24/34/401692434.db2.gz LOGCKXDCCVUEIL-HNNXBMFYSA-N 0 3 315.417 2.122 10 30 DEEEHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000128531026 401781575 /nfs/dbraw/zinc/78/15/75/401781575.db2.gz XRAFFPMDGFRAIL-HZPDHXFCSA-N 0 3 302.422 2.157 10 30 DEEEHN N#Cc1cccc(NC(=O)CN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128674136 401787683 /nfs/dbraw/zinc/78/76/83/401787683.db2.gz XOEPLQLSZDEDSC-IRXDYDNUSA-N 0 3 323.400 2.467 10 30 DEEEHN Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000081573386 401897415 /nfs/dbraw/zinc/89/74/15/401897415.db2.gz UAZAWDWZCTTXBL-GOSISDBHSA-N 0 3 322.412 2.464 10 30 DEEEHN CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000152940235 402118300 /nfs/dbraw/zinc/11/83/00/402118300.db2.gz HNEJQLJCLLMSKL-WMZOPIPTSA-N 0 3 321.465 2.464 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185240076 402338232 /nfs/dbraw/zinc/33/82/32/402338232.db2.gz RUTGBSLRSATNEH-UONOGXRCSA-N 0 3 323.462 2.121 10 30 DEEEHN C=CCNc1ncc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000245903493 402495995 /nfs/dbraw/zinc/49/59/95/402495995.db2.gz ABTVPZKMXIMINL-VXGBXAGGSA-N 0 3 308.451 2.200 10 30 DEEEHN CNC(=O)[C@@H](NCc1cccc(OCCCC#N)c1)C(C)C ZINC000178951980 402558971 /nfs/dbraw/zinc/55/89/71/402558971.db2.gz IPEKPPHDIZKRIT-INIZCTEOSA-N 0 3 303.406 2.229 10 30 DEEEHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000171719151 402614452 /nfs/dbraw/zinc/61/44/52/402614452.db2.gz JHWXSBYUUZSIFX-AWEZNQCLSA-N 0 3 313.401 2.092 10 30 DEEEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000173965806 402721897 /nfs/dbraw/zinc/72/18/97/402721897.db2.gz CXQCUOZYAVULGS-GFCCVEGCSA-N 0 3 305.344 2.413 10 30 DEEEHN C=CCOc1cccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284209196 403254340 /nfs/dbraw/zinc/25/43/40/403254340.db2.gz ZKCGMJSVSAXKFP-RDJZCZTQSA-N 0 3 307.434 2.499 10 30 DEEEHN C=CCOCCN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000293658517 403530946 /nfs/dbraw/zinc/53/09/46/403530946.db2.gz TUMKBRMTYTVFNZ-AWEZNQCLSA-N 0 3 314.223 2.449 10 30 DEEEHN N#Cc1ccc(N2CCC[C@H]2CN2CCC[C@@H]2CO)c(F)c1 ZINC000301723508 403669719 /nfs/dbraw/zinc/66/97/19/403669719.db2.gz OGTGWNRUMRUJPR-LSDHHAIUSA-N 0 3 303.381 2.123 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000343869282 403769184 /nfs/dbraw/zinc/76/91/84/403769184.db2.gz TWQQUHYSQBSONA-APWZRJJASA-N 0 3 316.445 2.342 10 30 DEEEHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000347953007 403974735 /nfs/dbraw/zinc/97/47/35/403974735.db2.gz RDERSYNPJWWUCK-QGZVFWFLSA-N 0 3 300.402 2.418 10 30 DEEEHN CC(=O)N[C@H](CC(=O)N1CCN2CCC1CC2)c1cccs1 ZINC000329528630 404365967 /nfs/dbraw/zinc/36/59/67/404365967.db2.gz UROKYODAKIQEMM-CQSZACIVSA-N 0 3 321.446 2.462 10 30 DEEEHN C=CCn1c(-c2ccoc2)nnc1N1CCCN(CC)CC1 ZINC000350728667 404450817 /nfs/dbraw/zinc/45/08/17/404450817.db2.gz DSEIGXRRMFHYDG-UHFFFAOYSA-N 0 3 301.394 2.256 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)c1n[nH]c(C)c1C)C(C)C ZINC000360026933 404812526 /nfs/dbraw/zinc/81/25/26/404812526.db2.gz AXFXTBJGZHXZNV-OAHLLOKOSA-N 0 3 304.438 2.455 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000424297434 405061142 /nfs/dbraw/zinc/06/11/42/405061142.db2.gz QRMLZFIEYQQXNB-ZOBUZTSGSA-N 0 3 323.458 2.338 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)c2ccc(N3CCC3)nc2)CC1 ZINC000448924622 405464745 /nfs/dbraw/zinc/46/47/45/405464745.db2.gz YWAUCWFXCBRSOL-UHFFFAOYSA-N 0 3 314.433 2.062 10 30 DEEEHN CC(C)N1CC[C@@H](N(C)C(=O)NCC2CCC(C#N)CC2)C1 ZINC000458725997 405560188 /nfs/dbraw/zinc/56/01/88/405560188.db2.gz HISDCJARFRFXNN-UYSNPLJNSA-N 0 3 306.454 2.440 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c2c(c1)OCCO2 ZINC000449549204 405608731 /nfs/dbraw/zinc/60/87/31/405608731.db2.gz VRPZNANEJXWFNH-KGLIPLIRSA-N 0 3 305.374 2.290 10 30 DEEEHN C=CCN1CC[C@@H](N(C)C[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132459 405911251 /nfs/dbraw/zinc/91/12/51/405911251.db2.gz OPTLKJSSISYXPN-SJLPKXTDSA-N 0 3 313.445 2.232 10 30 DEEEHN C=CCN(CCc1ccccc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639461838 406098125 /nfs/dbraw/zinc/09/81/25/406098125.db2.gz WUHFOKFMVHAWEH-SFHVURJKSA-N 0 3 319.445 2.010 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)[C@@]1(COC)CCCCN1 ZINC000637993904 406514042 /nfs/dbraw/zinc/51/40/42/406514042.db2.gz OQLMPTNSXLJNRR-SFHVURJKSA-N 0 3 318.417 2.026 10 30 DEEEHN CCN(C[C@H](C)C#N)C(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129083822 196018333 /nfs/dbraw/zinc/01/83/33/196018333.db2.gz OWGCIFHKQLRKDH-GFCCVEGCSA-N 0 3 303.793 2.272 10 30 DEEEHN COc1ccc(C#CCN)cc1CSc1nc(C)ns1 ZINC000130983771 196129957 /nfs/dbraw/zinc/12/99/57/196129957.db2.gz WFDGSOVZNVGCDF-UHFFFAOYSA-N 0 3 305.428 2.458 10 30 DEEEHN CC(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1C#CC[NH3+] ZINC000132029597 196220464 /nfs/dbraw/zinc/22/04/64/196220464.db2.gz PCQOTJLJOFMQAM-UHFFFAOYSA-N 0 3 300.811 2.048 10 30 DEEEHN N#Cc1cc(Br)ccc1NC(=O)[C@H]1CCCCN1 ZINC000132443862 196256236 /nfs/dbraw/zinc/25/62/36/196256236.db2.gz WHJBUFIAXJBAGW-GFCCVEGCSA-N 0 3 308.179 2.401 10 30 DEEEHN C[C@@H]1CNC[C@@H](COc2cc(Br)ccc2C#N)O1 ZINC000133424992 196330672 /nfs/dbraw/zinc/33/06/72/196330672.db2.gz BLAKFIHQQMCGSU-SKDRFNHKSA-N 0 3 311.179 2.076 10 30 DEEEHN C=CCNc1ncc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)s1 ZINC000432928202 425019389 /nfs/dbraw/zinc/01/93/89/425019389.db2.gz QNEROVOYOZDWMA-BETUJISGSA-N 0 3 322.478 2.734 10 30 DEEEHN C[C@@H]1CN(C2CCN(Cc3ccc(F)cc3C#N)CC2)CCO1 ZINC000103226843 274344502 /nfs/dbraw/zinc/34/45/02/274344502.db2.gz PLCATIXUQNIFDN-CQSZACIVSA-N 0 3 317.408 2.382 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1COCC1(C)C)C(C)C ZINC000455480812 276891172 /nfs/dbraw/zinc/89/11/72/276891172.db2.gz CCDCJDOBKPLCSY-HOTGVXAUSA-N 0 3 323.481 2.409 10 30 DEEEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000249292178 277155817 /nfs/dbraw/zinc/15/58/17/277155817.db2.gz WLGLRRDHXKJJGL-BLLLJJGKSA-N 0 3 301.365 2.254 10 30 DEEEHN C=CCOCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000374857454 526777907 /nfs/dbraw/zinc/77/79/07/526777907.db2.gz RULQYXVRFISDLZ-UHFFFAOYSA-N 0 3 317.433 2.153 10 30 DEEEHN C=C(Cl)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000743463470 638148986 /nfs/dbraw/zinc/14/89/86/638148986.db2.gz XLVYSIQIWWNBAX-UHFFFAOYSA-N 0 3 307.825 2.311 10 30 DEEEHN COc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000747443428 638437462 /nfs/dbraw/zinc/43/74/62/638437462.db2.gz HDPLLEWHXAMSTR-STQMWFEESA-N 0 3 301.390 2.056 10 30 DEEEHN CCOc1ccccc1CCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129436331 646119024 /nfs/dbraw/zinc/11/90/24/646119024.db2.gz IHVVSZVJXZERJL-AWEZNQCLSA-N 0 3 300.358 2.005 10 30 DEEEHN C#CCN(CC#C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000075392217 683936017 /nfs/dbraw/zinc/93/60/17/683936017.db2.gz BJBAGFSZAWSMLT-KRWDZBQOSA-N 0 3 312.388 2.133 10 30 DEEEHN COc1ccc(C#CCN)c(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000087795001 185232152 /nfs/dbraw/zinc/23/21/52/185232152.db2.gz JCYIBQYOFOHMQY-ZIAGYGMSSA-N 0 3 304.459 2.331 10 30 DEEEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(C#N)cc1 ZINC000090700136 185310681 /nfs/dbraw/zinc/31/06/81/185310681.db2.gz FFXOTNMIKLPBRK-OAHLLOKOSA-N 0 3 303.431 2.068 10 30 DEEEHN C[C@H](C#N)Oc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092647796 185331380 /nfs/dbraw/zinc/33/13/80/185331380.db2.gz JHPMITABCPWUQG-CQSZACIVSA-N 0 3 311.389 2.406 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000625704627 365876514 /nfs/dbraw/zinc/87/65/14/365876514.db2.gz POZFAHTWYZXLDS-INIZCTEOSA-N 0 3 324.428 2.387 10 30 DEEEHN C[C@H]1CN(C(=O)c2cc(C#CCN)ccc2F)C[C@H](C)S1 ZINC000070388863 190883989 /nfs/dbraw/zinc/88/39/89/190883989.db2.gz MRSBWVLKTRRQIZ-RYUDHWBXSA-N 0 3 306.406 2.102 10 30 DEEEHN CN(C)c1ccc2c(c1)C(C#N)N(CCc1nccs1)C2=O ZINC000071679166 191005961 /nfs/dbraw/zinc/00/59/61/191005961.db2.gz RKSJKGGQWFNJJA-AWEZNQCLSA-N 0 3 312.398 2.472 10 30 DEEEHN Cc1nn(C)c(C)c1CN1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679186 191006214 /nfs/dbraw/zinc/00/62/14/191006214.db2.gz RNYNEHGRNWIMPU-QGZVFWFLSA-N 0 3 323.400 2.324 10 30 DEEEHN C[C@@H]1SCCN(C(=O)c2ccc(C#CCN)cc2F)[C@H]1C ZINC000133661445 186004168 /nfs/dbraw/zinc/00/41/68/186004168.db2.gz NEYLNFXFQIHQDA-RYUDHWBXSA-N 0 3 306.406 2.102 10 30 DEEEHN Cc1ccc(C#CCN)c(C(=O)N2CCS[C@@H](C)[C@@H]2C)c1 ZINC000133664786 186004941 /nfs/dbraw/zinc/00/49/41/186004941.db2.gz JEUGHKIJUGLVEP-KBPBESRZSA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1cc(C#CCN)cc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000133678976 186005788 /nfs/dbraw/zinc/00/57/88/186005788.db2.gz FJQZVJBWRTYYGJ-ZIAGYGMSSA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1cc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)sc1C#CCN ZINC000149882970 186053434 /nfs/dbraw/zinc/05/34/34/186053434.db2.gz ZUWKGMFXCRTZEI-STQMWFEESA-N 0 3 305.447 2.274 10 30 DEEEHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(CCN(C)C)n1 ZINC000617044938 363008217 /nfs/dbraw/zinc/00/82/17/363008217.db2.gz VPAGBLWSLSHBKY-CABCVRRESA-N 0 3 304.438 2.309 10 30 DEEEHN N#Cc1cccc(S(=O)(=O)CCNCCc2ccsc2)c1 ZINC000163078153 355971999 /nfs/dbraw/zinc/97/19/99/355971999.db2.gz VCBFVTMXERGXCR-UHFFFAOYSA-N 0 3 320.439 2.226 10 30 DEEEHN CC(C)CS(=O)(=O)Nc1cc(C#CCN)ccc1Cl ZINC000080193000 192010610 /nfs/dbraw/zinc/01/06/10/192010610.db2.gz JDRQUPKDAQYKAY-UHFFFAOYSA-N 0 3 300.811 2.048 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593339136 358058184 /nfs/dbraw/zinc/05/81/84/358058184.db2.gz NYXSDOGMWWCHKY-UHFFFAOYSA-N 0 3 304.438 2.410 10 30 DEEEHN CC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594428097 358267265 /nfs/dbraw/zinc/26/72/65/358267265.db2.gz ZGFOMQZHVSVXBI-HNNXBMFYSA-N 0 3 302.378 2.019 10 30 DEEEHN N#CCCCC[C@H](N)C(=O)NCc1ccccc1Br ZINC000594429921 358267763 /nfs/dbraw/zinc/26/77/63/358267763.db2.gz TUEITIXNQKRGDJ-ZDUSSCGKSA-N 0 3 324.222 2.477 10 30 DEEEHN CN(CCOCc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594446523 358273935 /nfs/dbraw/zinc/27/39/35/358273935.db2.gz UVFMUCCIFBRKNS-MRXNPFEDSA-N 0 3 303.406 2.073 10 30 DEEEHN CC(=O)N1CC[C@H](NC[C@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733500 359814416 /nfs/dbraw/zinc/81/44/16/359814416.db2.gz ZNLCVFXQENJBIR-ZBFHGGJFSA-N 0 3 313.401 2.129 10 30 DEEEHN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000611982839 361718987 /nfs/dbraw/zinc/71/89/87/361718987.db2.gz XGYSFRSZPXQXEW-QGZVFWFLSA-N 0 3 317.433 2.466 10 30 DEEEHN CN(Cc1ccccn1)[C@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000275469309 212353184 /nfs/dbraw/zinc/35/31/84/212353184.db2.gz AKOXDYODBNMEGP-KRWDZBQOSA-N 0 3 322.416 2.234 10 30 DEEEHN C=C(C)COCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623768814 365167933 /nfs/dbraw/zinc/16/79/33/365167933.db2.gz AARXRYULRWFLIS-INIZCTEOSA-N 0 3 309.454 2.285 10 30 DEEEHN C=CC(C)(C)CCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000623714214 365143198 /nfs/dbraw/zinc/14/31/98/365143198.db2.gz VCGGWQLZQCXROO-MRXNPFEDSA-N 0 3 324.513 2.162 10 30 DEEEHN C=CCOCCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624368261 365399187 /nfs/dbraw/zinc/39/91/87/365399187.db2.gz JMSDAUXOPPJISQ-INIZCTEOSA-N 0 3 309.454 2.285 10 30 DEEEHN C=CCOCCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629418663 367193926 /nfs/dbraw/zinc/19/39/26/367193926.db2.gz SGXLAADNNKWAOO-UHFFFAOYSA-N 0 3 324.465 2.073 10 30 DEEEHN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(C)c(C#CCN)s1 ZINC000094536388 193378205 /nfs/dbraw/zinc/37/82/05/193378205.db2.gz RIUTVNFPWGOTEE-CHWSQXEVSA-N 0 3 306.431 2.006 10 30 DEEEHN CCOC1CCN(C(=O)c2cc(C)c(C#CCN)s2)CC1 ZINC000094536370 193378363 /nfs/dbraw/zinc/37/83/63/193378363.db2.gz CUPURTPQALKDMF-UHFFFAOYSA-N 0 3 306.431 2.008 10 30 DEEEHN C=CC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160070394 197383442 /nfs/dbraw/zinc/38/34/42/197383442.db2.gz KAZJBRBGWJQERD-MRVPVSSYSA-N 0 3 303.240 2.456 10 30 DEEEHN CC[C@@H](NC)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451318 183271790 /nfs/dbraw/zinc/27/17/90/183271790.db2.gz KFTLDIPFFNVGAV-OAHLLOKOSA-N 0 3 309.435 2.281 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)c2cccc(OC)c2O)CC1 ZINC000106291234 194194000 /nfs/dbraw/zinc/19/40/00/194194000.db2.gz DUMWDAJMANZEEH-UHFFFAOYSA-N 0 3 304.390 2.171 10 30 DEEEHN C[C@H](NS(=O)(=O)c1ccc(C#CCN)cc1)c1ccsc1 ZINC000061372080 184169686 /nfs/dbraw/zinc/16/96/86/184169686.db2.gz PZLKMNHVMIKGBI-LBPRGKRZSA-N 0 3 320.439 2.098 10 30 DEEEHN NCC#Cc1ccc(C(=O)Nc2cccc(Cl)c2F)nc1 ZINC000061872151 184190695 /nfs/dbraw/zinc/19/06/95/184190695.db2.gz OXGVPVHIYYHUIV-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN OCCC#Cc1ccsc1CN1CC[C@@H](N2CCCC2)C1 ZINC000062967953 184263756 /nfs/dbraw/zinc/26/37/56/184263756.db2.gz YXAIJSDCUORNNR-MRXNPFEDSA-N 0 3 304.459 2.152 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247382729 145135053 /nfs/dbraw/zinc/13/50/53/145135053.db2.gz LOXNJVLDYRRDOR-DZKIICNBSA-N 0 3 315.417 2.267 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)cn1C ZINC000248394100 145152443 /nfs/dbraw/zinc/15/24/43/145152443.db2.gz MUGNOBVPZAQQNO-RHSMWYFYSA-N 0 3 322.412 2.147 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)NCC1(C)COC1)C(C)C ZINC000112743737 401757520 /nfs/dbraw/zinc/75/75/20/401757520.db2.gz 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ZINC000285023512 218260412 /nfs/dbraw/zinc/26/04/12/218260412.db2.gz ZGHNTXGQFWJHME-NXHRZFHOSA-N 0 3 318.392 2.449 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000120221699 195122399 /nfs/dbraw/zinc/12/23/99/195122399.db2.gz RESAVWDUYZPPHT-ZBFHGGJFSA-N 0 3 317.433 2.418 10 30 DEEEHN CC#CCCN[C@H](CN)c1cc(Br)ccc1OC ZINC000158389190 197267832 /nfs/dbraw/zinc/26/78/32/197267832.db2.gz PZMXLBFLSVCOOT-CYBMUJFWSA-N 0 3 311.223 2.461 10 30 DEEEHN CCC(CC)CNS(=O)(=O)c1ccc(C#CCN)c(C)c1 ZINC000125456587 195751216 /nfs/dbraw/zinc/75/12/16/195751216.db2.gz PHOFSAFPLAOPPL-UHFFFAOYSA-N 0 3 308.447 2.020 10 30 DEEEHN CC(C)NCc1c(Cl)cccc1OCC(=O)NCCC#N ZINC000127845906 195914842 /nfs/dbraw/zinc/91/48/42/195914842.db2.gz VSVJISBPYBBVNC-UHFFFAOYSA-N 0 3 309.797 2.247 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494481 401802564 /nfs/dbraw/zinc/80/25/64/401802564.db2.gz OSOQEWQNVBRUIW-PBHICJAKSA-N 0 3 305.422 2.209 10 30 DEEEHN C#CCOc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128627025 401785411 /nfs/dbraw/zinc/78/54/11/401785411.db2.gz ZCTCYKFAVRZTCN-QGZVFWFLSA-N 0 3 310.401 2.202 10 30 DEEEHN C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370610 401866361 /nfs/dbraw/zinc/86/63/61/401866361.db2.gz HTXQHSOXUGJFGN-YOEHRIQHSA-N 0 3 315.417 2.016 10 30 DEEEHN C=C[C@H](CC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000135016387 401923575 /nfs/dbraw/zinc/92/35/75/401923575.db2.gz FOPNPBILRMPFEM-WBVHZDCISA-N 0 3 302.418 2.135 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000121111568 402016015 /nfs/dbraw/zinc/01/60/15/402016015.db2.gz RRDBBPJKXLFPAI-CQSZACIVSA-N 0 3 310.438 2.075 10 30 DEEEHN C=CCc1cc(CN2CCCC[C@@H]2CC(N)=O)cc(OC)c1O ZINC000092588570 402006567 /nfs/dbraw/zinc/00/65/67/402006567.db2.gz SGUBJGOIEICHOM-OAHLLOKOSA-N 0 3 318.417 2.359 10 30 DEEEHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000124571179 402186310 /nfs/dbraw/zinc/18/63/10/402186310.db2.gz 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/nfs/dbraw/zinc/52/87/79/402528779.db2.gz JKZNSGKPAZMFIX-KCQAQPDRSA-N 0 3 313.401 2.067 10 30 DEEEHN CN1CC[C@@H](NC(=O)NCCCCC#N)[C@@H]1c1ccccc1 ZINC000179149863 402576469 /nfs/dbraw/zinc/57/64/69/402576469.db2.gz AGCBMFXYVVRYJW-CVEARBPZSA-N 0 3 300.406 2.425 10 30 DEEEHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2F)CCN1C ZINC000174767762 402756331 /nfs/dbraw/zinc/75/63/31/402756331.db2.gz CYAGTFXVFTTXSR-SWLSCSKDSA-N 0 3 318.396 2.321 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1cc(C#N)ccc1F ZINC000173997660 402723127 /nfs/dbraw/zinc/72/31/27/402723127.db2.gz UQTJPKIUVNRKBK-HNNXBMFYSA-N 0 3 320.412 2.473 10 30 DEEEHN C=CC[C@@H](CO)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433662 403004605 /nfs/dbraw/zinc/00/46/05/403004605.db2.gz LOZQNNOXHQOHSP-GOEBONIOSA-N 0 3 320.433 2.131 10 30 DEEEHN C#CCC(CC#C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000287310886 403573355 /nfs/dbraw/zinc/57/33/55/403573355.db2.gz UJNJXCYNFDHDQP-UHFFFAOYSA-N 0 3 300.446 2.374 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000288055582 403716476 /nfs/dbraw/zinc/71/64/76/403716476.db2.gz FLQMNWVAHXVZRG-QZTJIDSGSA-N 0 3 313.445 2.357 10 30 DEEEHN C#CCCOc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000294763236 403732292 /nfs/dbraw/zinc/73/22/92/403732292.db2.gz ZXEFWGUDGAVJDY-MRXNPFEDSA-N 0 3 300.402 2.255 10 30 DEEEHN C#CCC(CC#C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000288497233 403755907 /nfs/dbraw/zinc/75/59/07/403755907.db2.gz SLUSOPJXMXZXDM-IBGZPJMESA-N 0 3 308.425 2.382 10 30 DEEEHN CN(C[C@H](C#N)CCC#N)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328622013 404117013 /nfs/dbraw/zinc/11/70/13/404117013.db2.gz AWMZIMKMWJBGNN-SZMVWBNQSA-N 0 3 311.433 2.450 10 30 DEEEHN O=C(CCNC(=O)C1CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000328665688 404127402 /nfs/dbraw/zinc/12/74/02/404127402.db2.gz CFILGHIUKSUTKM-OAHLLOKOSA-N 0 3 307.438 2.220 10 30 DEEEHN C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C1CC1)N1CCC[C@@H](C)C1 ZINC000328850772 404161493 /nfs/dbraw/zinc/16/14/93/404161493.db2.gz URRPIYGFVCFERP-RRCSTGOVSA-N 0 3 309.454 2.178 10 30 DEEEHN C=CCCC[C@H](C)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434739132 404930971 /nfs/dbraw/zinc/93/09/71/404930971.db2.gz TXNOLRVZBAFMNG-LSDHHAIUSA-N 0 3 300.468 2.231 10 30 DEEEHN C=CCC1(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCOCC1 ZINC000424839595 405192921 /nfs/dbraw/zinc/19/29/21/405192921.db2.gz FWTOEPSZSHDNQY-KRWDZBQOSA-N 0 3 306.450 2.304 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000438440332 405246624 /nfs/dbraw/zinc/24/66/24/405246624.db2.gz CQRJYNSLYGSYRX-JJXSEGSLSA-N 0 3 309.454 2.092 10 30 DEEEHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000448845430 405455394 /nfs/dbraw/zinc/45/53/94/405455394.db2.gz PZEVZLCEZAKPOX-HNNXBMFYSA-N 0 3 302.422 2.281 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N(C)C ZINC000459049094 405715390 /nfs/dbraw/zinc/71/53/90/405715390.db2.gz YKLMKVAIPVLAMA-ZDUSSCGKSA-N 0 3 320.393 2.243 10 30 DEEEHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CCN(C)C)c1 ZINC000633606046 405741504 /nfs/dbraw/zinc/74/15/04/405741504.db2.gz YXMIZBLIUCMXQJ-ZBFHGGJFSA-N 0 3 304.438 2.309 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000450277644 405812043 /nfs/dbraw/zinc/81/20/43/405812043.db2.gz PPQHJGATPIBVAS-QZWWFDLISA-N 0 3 300.402 2.139 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCNC(=O)CC1 ZINC000450296260 405821048 /nfs/dbraw/zinc/82/10/48/405821048.db2.gz CGVJGCNWMQBXJZ-CQSZACIVSA-N 0 3 317.389 2.499 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000565758223 406083270 /nfs/dbraw/zinc/08/32/70/406083270.db2.gz GQVCYWVSMLKFJE-LTIDMASMSA-N 0 3 315.417 2.075 10 30 DEEEHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CC1(O)CCOCC1 ZINC000639618197 406172602 /nfs/dbraw/zinc/17/26/02/406172602.db2.gz FQCULGOINSBYLY-GOSISDBHSA-N 0 3 319.445 2.357 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000633040077 406360392 /nfs/dbraw/zinc/36/03/92/406360392.db2.gz GLPPHPOBVUJEHA-DLBZAZTESA-N 0 3 321.465 2.284 10 30 DEEEHN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000549260615 406581665 /nfs/dbraw/zinc/58/16/65/406581665.db2.gz DPPOEIUXNOJEDO-WBVHZDCISA-N 0 3 318.392 2.355 10 30 DEEEHN COc1ccc(CSc2nc(C)ns2)cc1C#CCN ZINC000130983321 196129527 /nfs/dbraw/zinc/12/95/27/196129527.db2.gz KIXGLSBVHMJIFC-UHFFFAOYSA-N 0 3 305.428 2.458 10 30 DEEEHN C[C@@H](C[C@@H]1COCCN1)Nc1ccc(Br)cc1C#N ZINC000134161914 196366443 /nfs/dbraw/zinc/36/64/43/196366443.db2.gz KEHSIVUUHBAJGC-GXFFZTMASA-N 0 3 324.222 2.500 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000285017485 275384907 /nfs/dbraw/zinc/38/49/07/275384907.db2.gz GTYKCKPIAHEVTO-RBUKOAKNSA-N 0 3 324.399 2.446 10 30 DEEEHN C=CCN(CC=C)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284430493 276890243 /nfs/dbraw/zinc/89/02/43/276890243.db2.gz YNQVBZJYNVHXEN-PKOBYXMFSA-N 0 3 313.445 2.222 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)[C@H](C)CCC)CC1 ZINC000518777886 333162121 /nfs/dbraw/zinc/16/21/21/333162121.db2.gz BLSIWKUTQCGLLA-GDBMZVCRSA-N 0 3 311.470 2.123 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CC(C)(CCOC)C2)CC1 ZINC000358700152 526583738 /nfs/dbraw/zinc/58/37/38/526583738.db2.gz YWFPLKSMIODKGB-UHFFFAOYSA-N 0 3 309.454 2.095 10 30 DEEEHN C=CCCCCCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407704 527133858 /nfs/dbraw/zinc/13/38/58/527133858.db2.gz AJJQJNBZJQJSAW-HNNXBMFYSA-N 0 3 300.468 2.233 10 30 DEEEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1OCC#N ZINC000246532224 529306093 /nfs/dbraw/zinc/30/60/93/529306093.db2.gz IRHKPFOCZXIWPH-GJZGRUSLSA-N 0 3 313.401 2.288 10 30 DEEEHN C=CCOCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000394137580 625384586 /nfs/dbraw/zinc/38/45/86/625384586.db2.gz OUPUHRBGXXKYGS-UHFFFAOYSA-N 0 3 316.195 2.456 10 30 DEEEHN C=CCN1CCC(NC(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000738919847 625716768 /nfs/dbraw/zinc/71/67/68/625716768.db2.gz LQRQRYQRNBCMDL-UHFFFAOYSA-N 0 3 313.405 2.415 10 30 DEEEHN C[C@H]1CN(Cc2ccccc2)CCC1=NNC(=S)N(C)C ZINC000734365411 633363210 /nfs/dbraw/zinc/36/32/10/633363210.db2.gz ZNMKUDUBPWFVJM-ZDUSSCGKSA-N 0 3 304.463 2.321 10 30 DEEEHN C#Cc1cccc(NC(=S)NC[C@@H]2CCCN2CCOC)c1 ZINC000727703802 638256635 /nfs/dbraw/zinc/25/66/35/638256635.db2.gz WFRQVDHQSKLKKO-INIZCTEOSA-N 0 3 317.458 2.065 10 30 DEEEHN COc1cccc(NC(=O)C(C#N)C(=O)CCCSC)c1 ZINC000130988748 684195514 /nfs/dbraw/zinc/19/55/14/684195514.db2.gz PUVXRAGVKLEVML-ZDUSSCGKSA-N 0 3 306.387 2.486 10 30 DEEEHN COCCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000245730839 685117141 /nfs/dbraw/zinc/11/71/41/685117141.db2.gz JTNHKCQTUIZDNC-HZPDHXFCSA-N 0 3 317.433 2.130 10 30 DEEEHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000248293013 685155949 /nfs/dbraw/zinc/15/59/49/685155949.db2.gz XGLJPOPYJORBHL-DFBGVHRSSA-N 0 3 300.358 2.464 10 30 DEEEHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000250485328 685189994 /nfs/dbraw/zinc/18/99/94/685189994.db2.gz KVSUBRZBZFQMMT-IHRRRGAJSA-N 0 3 302.761 2.431 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000800086687 799309571 /nfs/dbraw/zinc/30/95/71/799309571.db2.gz IMOJTZHGCRDNTA-KRWDZBQOSA-N 0 3 316.832 2.269 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCC)CC(F)(F)F ZINC000625460871 365795280 /nfs/dbraw/zinc/79/52/80/365795280.db2.gz YQWNIUYGNYOJPS-NEPJUHHUSA-N 0 3 308.344 2.111 10 30 DEEEHN N#C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C1CC1 ZINC000108829657 185535247 /nfs/dbraw/zinc/53/52/47/185535247.db2.gz RFCHAHRVGPRKMS-HNNXBMFYSA-N 0 3 306.369 2.393 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1C#CCN ZINC000133672257 186005188 /nfs/dbraw/zinc/00/51/88/186005188.db2.gz YGKXKXZIZLMPLV-KBPBESRZSA-N 0 3 302.443 2.271 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)c(C#CCN)c1 ZINC000133672875 186005197 /nfs/dbraw/zinc/00/51/97/186005197.db2.gz MZSFCJKNHOWNPS-UONOGXRCSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CCCCN(C)S(=O)(=O)c1cc(CN)cc(F)c1F ZINC000139324410 186021937 /nfs/dbraw/zinc/02/19/37/186021937.db2.gz XVPCWRLUWANIHA-UHFFFAOYSA-N 0 3 304.362 2.010 10 30 DEEEHN C=CCc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc(OC)c1O ZINC000159569189 186127502 /nfs/dbraw/zinc/12/75/02/186127502.db2.gz MNALYIBMAICJIX-WFASDCNBSA-N 0 3 318.417 2.215 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171441846 186160959 /nfs/dbraw/zinc/16/09/59/186160959.db2.gz OJZQNHRULVAEBA-GDBMZVCRSA-N 0 3 313.401 2.022 10 30 DEEEHN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000329268877 539917285 /nfs/dbraw/zinc/91/72/85/539917285.db2.gz GTBGWPNUZZIOJQ-WFASDCNBSA-N 0 3 307.438 2.074 10 30 DEEEHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C#N)cc2)CCN1C ZINC000173794692 198253181 /nfs/dbraw/zinc/25/31/81/198253181.db2.gz CHCNEMAMPUKNHC-BBRMVZONSA-N 0 3 300.406 2.182 10 30 DEEEHN C=C(C)C(C)(C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617696004 363226286 /nfs/dbraw/zinc/22/62/86/363226286.db2.gz AHCVNCDJWHZSKL-KRWDZBQOSA-N 0 3 316.445 2.472 10 30 DEEEHN C=CCCC[C@@H](C)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000091506909 355599836 /nfs/dbraw/zinc/59/98/36/355599836.db2.gz FKTAIHLTHRDKPO-CQSZACIVSA-N 0 3 314.437 2.230 10 30 DEEEHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)[C@H](C)O ZINC000445589582 540185012 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193178559 /nfs/dbraw/zinc/17/85/59/193178559.db2.gz CWPJWBHRWZHKNZ-GFCCVEGCSA-N 0 3 315.423 2.281 10 30 DEEEHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccco1 ZINC000451676337 243295206 /nfs/dbraw/zinc/29/52/06/243295206.db2.gz SHLLHMGWIZKOAS-OCCSQVGLSA-N 0 3 314.389 2.349 10 30 DEEEHN Cc1noc(C)c1[C@H](C)NC(=O)c1csc(C#CCN)c1 ZINC000093976697 193333633 /nfs/dbraw/zinc/33/36/33/193333633.db2.gz UFWSRMZIMMXWRW-VIFPVBQESA-N 0 3 303.387 2.154 10 30 DEEEHN Cc1cc(C(=O)N[C@@H](C)c2nccs2)sc1C#CCN ZINC000094536897 193378683 /nfs/dbraw/zinc/37/86/83/193378683.db2.gz NLAHVXVGBSAFCV-JTQLQIEISA-N 0 3 305.428 2.314 10 30 DEEEHN C[C@H](NC[C@H]1CCCN1CCCO)c1ccc(C#N)cc1F ZINC000453265744 245032358 /nfs/dbraw/zinc/03/23/58/245032358.db2.gz NVZIZZPSKTZRDP-DZGCQCFKSA-N 0 3 305.397 2.195 10 30 DEEEHN C=CCNC(=O)c1ccc(NCCN2CCCC[C@@H]2C)nc1 ZINC000264861905 204218511 /nfs/dbraw/zinc/21/85/11/204218511.db2.gz MGJJKNJKLBRCJX-AWEZNQCLSA-N 0 3 302.422 2.284 10 30 DEEEHN C=C(Br)COc1cc2c(cc1CNC)OCO2 ZINC000042874166 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ZINC000128626774 401785540 /nfs/dbraw/zinc/78/55/40/401785540.db2.gz ZCTCYKFAVRZTCN-KRWDZBQOSA-N 0 3 310.401 2.202 10 30 DEEEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3cccc(C#N)c3)C2)cn1 ZINC000116311339 401848411 /nfs/dbraw/zinc/84/84/11/401848411.db2.gz LXFZATLQHULHFL-HNNXBMFYSA-N 0 3 323.400 2.110 10 30 DEEEHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000150938852 402006157 /nfs/dbraw/zinc/00/61/57/402006157.db2.gz CJNCFEZDUUXKJK-XWAFYUISSA-N 0 3 303.406 2.278 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN(C)C(C)C ZINC000063340766 402112435 /nfs/dbraw/zinc/11/24/35/402112435.db2.gz MAUYLFUOXUEVBO-UHFFFAOYSA-N 0 3 305.378 2.450 10 30 DEEEHN CC(=O)Nc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123212796 402116546 /nfs/dbraw/zinc/11/65/46/402116546.db2.gz BNKOIELXTZRDJC-UHFFFAOYSA-N 0 3 319.368 2.454 10 30 DEEEHN CN(CCNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123239375 402117534 /nfs/dbraw/zinc/11/75/34/402117534.db2.gz OPLMCWWUCXZNBP-UHFFFAOYSA-N 0 3 305.385 2.432 10 30 DEEEHN CSCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930025 402128209 /nfs/dbraw/zinc/12/82/09/402128209.db2.gz QBFKCFNVCQMGEW-UHFFFAOYSA-N 0 3 305.447 2.202 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)cn1C)C(C)C ZINC000176070600 402275557 /nfs/dbraw/zinc/27/55/57/402275557.db2.gz RURXFIIUANZRDD-QGZVFWFLSA-N 0 3 314.433 2.325 10 30 DEEEHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(C#N)s1)CC2 ZINC000176965102 402354802 /nfs/dbraw/zinc/35/48/02/402354802.db2.gz UNXVJWKINJZWBU-NSHDSACASA-N 0 3 301.419 2.439 10 30 DEEEHN N#Cc1ccc(OCCCN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171619340 402602262 /nfs/dbraw/zinc/60/22/62/402602262.db2.gz AOHIOUFNFVMZSA-INIZCTEOSA-N 0 3 311.389 2.256 10 30 DEEEHN CN(C)Cc1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000174195053 402731367 /nfs/dbraw/zinc/73/13/67/402731367.db2.gz SBHGGMDGGIVFKE-UHFFFAOYSA-N 0 3 323.396 2.429 10 30 DEEEHN C=CC[C@H](CO)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000273479885 403008469 /nfs/dbraw/zinc/00/84/69/403008469.db2.gz LQJUVEXHTRRQSR-QGZVFWFLSA-N 0 3 302.418 2.339 10 30 DEEEHN C=CCc1cc(CN2CC[C@@H](C(=O)OC)C2)cc(OC)c1O ZINC000271103627 403264517 /nfs/dbraw/zinc/26/45/17/403264517.db2.gz QQNKYENBULUOBY-CQSZACIVSA-N 0 3 305.374 2.124 10 30 DEEEHN C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1nccn1C)N1CCCCCC1 ZINC000328615823 404115507 /nfs/dbraw/zinc/11/55/07/404115507.db2.gz BBCGSRUDSQJANB-ILXRZTDVSA-N 0 3 320.437 2.471 10 30 DEEEHN C=CCOc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000344546132 404218499 /nfs/dbraw/zinc/21/84/99/404218499.db2.gz KNGHKQZETCFUJJ-YSVLISHTSA-N 0 3 300.402 2.350 10 30 DEEEHN C#Cc1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000297705506 404597693 /nfs/dbraw/zinc/59/76/93/404597693.db2.gz RPGQNFUHYWXXSL-ZWKOTPCHSA-N 0 3 311.429 2.294 10 30 DEEEHN C#Cc1ccc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000297705502 404598019 /nfs/dbraw/zinc/59/80/19/404598019.db2.gz RPGQNFUHYWXXSL-QZTJIDSGSA-N 0 3 311.429 2.294 10 30 DEEEHN CCOC(=O)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC12COC2 ZINC000451136740 404876696 /nfs/dbraw/zinc/87/66/96/404876696.db2.gz 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/nfs/dbraw/zinc/48/06/41/405480641.db2.gz XDCCHFXIAVPEBO-INIZCTEOSA-N 0 3 303.450 2.164 10 30 DEEEHN C=C(C)CN(CC)C(=O)C(C)S(=O)(=O)Cc1ccccc1 ZINC000577764756 405510228 /nfs/dbraw/zinc/51/02/28/405510228.db2.gz NTBPFEIKBOTFFZ-AWEZNQCLSA-N 0 3 309.431 2.415 10 30 DEEEHN C=CCOc1ccccc1CNC[C@H]1CCCCN1CCO ZINC000449398348 405546357 /nfs/dbraw/zinc/54/63/57/405546357.db2.gz XYEKZGQKWCABQM-QGZVFWFLSA-N 0 3 304.434 2.188 10 30 DEEEHN C=CCc1cc(CN(CCO)[C@H]2CCO[C@H]2C)cc(OC)c1O ZINC000449677743 405686296 /nfs/dbraw/zinc/68/62/96/405686296.db2.gz NVGMTHKQOCLPCY-BBRMVZONSA-N 0 3 321.417 2.101 10 30 DEEEHN C=CCC1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCCC1 ZINC000459109942 405752264 /nfs/dbraw/zinc/75/22/64/405752264.db2.gz RUQBIYOWRFPSLB-INIZCTEOSA-N 0 3 323.481 2.269 10 30 DEEEHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000489470031 406410412 /nfs/dbraw/zinc/41/04/12/406410412.db2.gz FNQUAJBWYOBIDG-KBPBESRZSA-N 0 3 305.374 2.196 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000527730922 406732839 /nfs/dbraw/zinc/73/28/39/406732839.db2.gz RZWSCGIZKSFGRK-NYTXWWLZSA-N 0 3 309.454 2.138 10 30 DEEEHN C=C(C)COc1cc(CNC[C@H](O)[C@@H]2CCCO2)ccc1OC ZINC000527759289 424835225 /nfs/dbraw/zinc/83/52/25/424835225.db2.gz SHUXPKLBSBOLTJ-HOTGVXAUSA-N 0 3 321.417 2.280 10 30 DEEEHN Cc1cc(C#N)nc(NC[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000557630312 424885123 /nfs/dbraw/zinc/88/51/23/424885123.db2.gz JSAVHURQWUITPY-OAHLLOKOSA-N 0 3 315.808 3.025 10 30 DEEEHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)CCOCC1 ZINC000424839323 277825173 /nfs/dbraw/zinc/82/51/73/277825173.db2.gz PEBNHLGCMWPSPG-HZPDHXFCSA-N 0 3 306.450 2.445 10 30 DEEEHN N#Cc1cnccc1NCC1(N2CCSCC2)CCCC1 ZINC000364315800 303178882 /nfs/dbraw/zinc/17/88/82/303178882.db2.gz QXDKAGUDWRDDJS-UHFFFAOYSA-N 0 3 302.447 2.149 10 30 DEEEHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)[C@H]2CCOC2)C1=O ZINC000337175032 526514735 /nfs/dbraw/zinc/51/47/35/526514735.db2.gz HSIVWQIRXCKWGO-ULQDDVLXSA-N 0 3 300.402 2.141 10 30 DEEEHN C=CCOCCN(Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000339137178 526769552 /nfs/dbraw/zinc/76/95/52/526769552.db2.gz AABAMQBECLKROC-FUHWJXTLSA-N 0 3 305.418 2.231 10 30 DEEEHN C#CCN(CCC)S(=O)(=O)c1cc(CNC)c(C)cc1C ZINC000162161455 197549100 /nfs/dbraw/zinc/54/91/00/197549100.db2.gz QXPGYAKLYPLSNH-UHFFFAOYSA-N 0 3 308.447 2.057 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000625704658 365876423 /nfs/dbraw/zinc/87/64/23/365876423.db2.gz ZMDHRUPINAEQEY-WMZOPIPTSA-N 0 3 315.461 2.304 10 30 DEEEHN C=CC[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000625704655 365876556 /nfs/dbraw/zinc/87/65/56/365876556.db2.gz ZMDHRUPINAEQEY-AEFFLSMTSA-N 0 3 315.461 2.304 10 30 DEEEHN C=CC[C@H](CO)NCc1cc2c(c(Br)c1)OCO2 ZINC000184281053 539667802 /nfs/dbraw/zinc/66/78/02/539667802.db2.gz ITKZAMTZMCTTRZ-SNVBAGLBSA-N 0 3 314.179 2.204 10 30 DEEEHN C[C@H]1SCCN(C(=O)c2cc(F)ccc2C#CCN)[C@@H]1C ZINC000133670804 186005532 /nfs/dbraw/zinc/00/55/32/186005532.db2.gz FCMOMANYTQOKEQ-VXGBXAGGSA-N 0 3 306.406 2.102 10 30 DEEEHN Cc1ccc(C(=O)NCc2sccc2C#CC[NH3+])c([O-])c1 ZINC000148661888 186045754 /nfs/dbraw/zinc/04/57/54/186045754.db2.gz TXOHTYBORQHNCH-UHFFFAOYSA-N 0 3 300.383 2.002 10 30 DEEEHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)NC(=O)NC2CC2)C1 ZINC000328739187 539909944 /nfs/dbraw/zinc/90/99/44/539909944.db2.gz MOAUSISBSMZMKU-UNQGMJICSA-N 0 3 323.437 2.281 10 30 DEEEHN CN(C)Cc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1 ZINC000329854901 539931091 /nfs/dbraw/zinc/93/10/91/539931091.db2.gz SYWUOHAQKNAFTB-GVDBMIGSSA-N 0 3 318.417 2.256 10 30 DEEEHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)COC3)CC1 ZINC000329677231 539926494 /nfs/dbraw/zinc/92/64/94/539926494.db2.gz WPMLDUPQPAXLLC-KRWDZBQOSA-N 0 3 318.417 2.114 10 30 DEEEHN C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000188300287 291069979 /nfs/dbraw/zinc/06/99/79/291069979.db2.gz RAYLKAJVWIJTLF-XJKSGUPXSA-N 0 3 309.413 2.331 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CC[C@@H](C)C1 ZINC000579492003 356985118 /nfs/dbraw/zinc/98/51/18/356985118.db2.gz SOWQHQWSQVYWMG-CQSZACIVSA-N 0 3 317.389 2.451 10 30 DEEEHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783655 357369228 /nfs/dbraw/zinc/36/92/28/357369228.db2.gz OTDBZIYHVKJQEQ-MRXNPFEDSA-N 0 3 304.365 2.478 10 30 DEEEHN C=CC(C)(C)CCNC(=O)NCCCNCc1cccnc1 ZINC000627072442 366429683 /nfs/dbraw/zinc/42/96/83/366429683.db2.gz ZCHALPWLXWUXPV-UHFFFAOYSA-N 0 3 304.438 2.463 10 30 DEEEHN C=C(C)CN1CCC(Nc2cc(CC(=O)OC)ccn2)CC1 ZINC000596116016 358614835 /nfs/dbraw/zinc/61/48/35/358614835.db2.gz QWRVUYFDKIMJCA-UHFFFAOYSA-N 0 3 303.406 2.250 10 30 DEEEHN CN(C)C1(CN(C)C(=O)NCC2CCC(C#N)CC2)CCC1 ZINC000440985635 238001346 /nfs/dbraw/zinc/00/13/46/238001346.db2.gz MQTCQGLJMUEYNE-UHFFFAOYSA-N 0 3 306.454 2.442 10 30 DEEEHN C=CCNC(=O)CN1CCN(C[C@H]2CCCC[C@H]2CC)CC1 ZINC000628125487 366729892 /nfs/dbraw/zinc/72/98/92/366729892.db2.gz BOLBNTBKCZGFKU-IAGOWNOFSA-N 0 3 307.482 2.123 10 30 DEEEHN CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000610720166 361451484 /nfs/dbraw/zinc/45/14/84/361451484.db2.gz KWKYULQPQHDXMZ-HNNXBMFYSA-N 0 3 318.396 2.371 10 30 DEEEHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611237537 361556731 /nfs/dbraw/zinc/55/67/31/361556731.db2.gz MKGAHTPNBHDECK-MRXNPFEDSA-N 0 3 306.362 2.375 10 30 DEEEHN C=CC[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628488164 366865089 /nfs/dbraw/zinc/86/50/89/366865089.db2.gz SWSPEUYWCFFRKM-INIZCTEOSA-N 0 3 306.450 2.446 10 30 DEEEHN N#Cc1c(NC(=O)C[C@@H]2CSCCN2)sc2c1CCC2 ZINC000091138311 193003744 /nfs/dbraw/zinc/00/37/44/193003744.db2.gz KSNKXJYYUBNZIB-SECBINFHSA-N 0 3 307.444 2.142 10 30 DEEEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638941 242044026 /nfs/dbraw/zinc/04/40/26/242044026.db2.gz UWRFIFQLNHZXPQ-YOEHRIQHSA-N 0 3 322.412 2.147 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O ZINC000630965040 367939041 /nfs/dbraw/zinc/93/90/41/367939041.db2.gz NHWFNJAVNRLECJ-HUUCEWRRSA-N 0 3 301.390 2.176 10 30 DEEEHN COc1ccc(NC(=O)c2csc(C#CCN)c2)cc1F ZINC000093975822 193333276 /nfs/dbraw/zinc/33/32/76/193333276.db2.gz PSJWYTJERGKKDF-UHFFFAOYSA-N 0 3 304.346 2.458 10 30 DEEEHN C[C@H](Cc1cccs1)NC(=O)c1csc(C#CCN)c1 ZINC000093976463 193333377 /nfs/dbraw/zinc/33/33/77/193333377.db2.gz KPBIRHUMKFNNPE-LLVKDONJSA-N 0 3 304.440 2.481 10 30 DEEEHN C=CC[C@H](N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000160197744 197392623 /nfs/dbraw/zinc/39/26/23/197392623.db2.gz YMNJHVGJSQAILY-JTQLQIEISA-N 0 3 308.403 2.255 10 30 DEEEHN CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccccc1[O-] ZINC000042400410 183264497 /nfs/dbraw/zinc/26/44/97/183264497.db2.gz RSRUPBINKAOKOT-UHFFFAOYSA-N 0 3 300.383 2.036 10 30 DEEEHN CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(C#CCN)c1 ZINC000042598219 183289565 /nfs/dbraw/zinc/28/95/65/183289565.db2.gz WRXXXSFYFDMIIX-AWEZNQCLSA-N 0 3 308.447 2.052 10 30 DEEEHN CCN(CCOc1cccc(C#CCN)c1)CC(F)(F)F ZINC000042780011 183308659 /nfs/dbraw/zinc/30/86/59/183308659.db2.gz WHMNKFWQZATPBS-UHFFFAOYSA-N 0 3 300.324 2.260 10 30 DEEEHN CC(C)(C)N1CCN(Cc2cc(C#CCCO)cs2)CC1 ZINC000043691431 183381373 /nfs/dbraw/zinc/38/13/73/183381373.db2.gz ILZQKEYJOZBAQQ-UHFFFAOYSA-N 0 3 306.475 2.398 10 30 DEEEHN NCC#Cc1ccsc1CSc1nnc2ccccn21 ZINC000061407646 184170000 /nfs/dbraw/zinc/17/00/00/184170000.db2.gz VNZRAWUPIFRDLI-UHFFFAOYSA-N 0 3 300.412 2.393 10 30 DEEEHN CC[C@H]1CN(CCOc2cccc(C#CCO)c2)CCS1 ZINC000158029770 197237345 /nfs/dbraw/zinc/23/73/45/197237345.db2.gz JAEJFDRWXKVWBO-KRWDZBQOSA-N 0 3 305.443 2.237 10 30 DEEEHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000158002627 197233834 /nfs/dbraw/zinc/23/38/34/197233834.db2.gz BVOLQZFQUWSTNE-CYBMUJFWSA-N 0 3 319.453 2.359 10 30 DEEEHN C[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CCN)cc1 ZINC000156279767 197101182 /nfs/dbraw/zinc/10/11/82/197101182.db2.gz MOTVREKMYQCMNT-CZUORRHYSA-N 0 3 302.443 2.460 10 30 DEEEHN N#Cc1c(CN2CCC[C@@H](c3nc[nH]n3)C2)cn2ccccc12 ZINC000374541341 148258609 /nfs/dbraw/zinc/25/86/09/148258609.db2.gz MBRUHONKQPVWDE-CYBMUJFWSA-N 0 3 306.373 2.309 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000128224447 401767677 /nfs/dbraw/zinc/76/76/77/401767677.db2.gz GEMIBECTDAKAEC-JKSUJKDBSA-N 0 3 304.438 2.381 10 30 DEEEHN N#Cc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128420702 401776012 /nfs/dbraw/zinc/77/60/12/401776012.db2.gz WSMACQMFDKGKBJ-DLBZAZTESA-N 0 3 323.400 2.467 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089849963 401967963 /nfs/dbraw/zinc/96/79/63/401967963.db2.gz CYILQDAKVSWLOB-INIZCTEOSA-N 0 3 317.433 2.224 10 30 DEEEHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000120859688 402004571 /nfs/dbraw/zinc/00/45/71/402004571.db2.gz SHOVOYXURWOROV-INIZCTEOSA-N 0 3 315.417 2.050 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160870919 402363528 /nfs/dbraw/zinc/36/35/28/402363528.db2.gz MVPMGZWKHVEGEO-LZLYRXPVSA-N 0 3 308.466 2.427 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185883762 402385793 /nfs/dbraw/zinc/38/57/93/402385793.db2.gz KPKSOUABYYHJIN-RDJZCZTQSA-N 0 3 320.408 2.091 10 30 DEEEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000178751924 402534353 /nfs/dbraw/zinc/53/43/53/402534353.db2.gz OYFLGPDOYZMTRJ-QGZVFWFLSA-N 0 3 323.400 2.166 10 30 DEEEHN C[C@@H]1CC(O)C[C@@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000191172293 402648199 /nfs/dbraw/zinc/64/81/99/402648199.db2.gz HQXZUFPGWCDMDB-GHMZBOCLSA-N 0 3 307.419 2.182 10 30 DEEEHN C=CCOc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000342846761 403369641 /nfs/dbraw/zinc/36/96/41/403369641.db2.gz OMNQVIIPBWNHEQ-JKSUJKDBSA-N 0 3 304.434 2.138 10 30 DEEEHN CC#CCCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000343719901 403706427 /nfs/dbraw/zinc/70/64/27/403706427.db2.gz GENDKUAFGVQQRI-QGZVFWFLSA-N 0 3 306.450 2.283 10 30 DEEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CCO)CC1CC1 ZINC000352458477 404383655 /nfs/dbraw/zinc/38/36/55/404383655.db2.gz KZDVVWWCAYNXGS-AWEZNQCLSA-N 0 3 322.474 2.356 10 30 DEEEHN Cn1cc(NC(=O)N2CCCC23CCN(C)CC3)c(C2CC2)n1 ZINC000329602433 404389120 /nfs/dbraw/zinc/38/91/20/404389120.db2.gz FVHMEZRKGDZHQR-UHFFFAOYSA-N 0 3 317.437 2.403 10 30 DEEEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cn(C)nc1C1CC1 ZINC000329607456 404390681 /nfs/dbraw/zinc/39/06/81/404390681.db2.gz IKWLAZYLLGMYQZ-KGLIPLIRSA-N 0 3 317.437 2.402 10 30 DEEEHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000329713246 404431436 /nfs/dbraw/zinc/43/14/36/404431436.db2.gz RGDSLWRIVWYECT-UMVBOHGHSA-N 0 3 322.453 2.214 10 30 DEEEHN C#Cc1ccc(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000297658211 404582583 /nfs/dbraw/zinc/58/25/83/404582583.db2.gz OIHNAPRRBWRPED-HNNXBMFYSA-N 0 3 311.429 2.294 10 30 DEEEHN C=CCOc1ccc(CNCCN2CCOC(C)(C)C2)cc1 ZINC000356891161 404718594 /nfs/dbraw/zinc/71/85/94/404718594.db2.gz HYTKZENQFLNECS-UHFFFAOYSA-N 0 3 304.434 2.452 10 30 DEEEHN C=CCCOCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416177392 405046901 /nfs/dbraw/zinc/04/69/01/405046901.db2.gz IEVOJEJAKGLLMZ-UHFFFAOYSA-N 0 3 302.418 2.144 10 30 DEEEHN C=CCC1(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CCOCC1 ZINC000424839596 405193268 /nfs/dbraw/zinc/19/32/68/405193268.db2.gz FWTOEPSZSHDNQY-QGZVFWFLSA-N 0 3 306.450 2.304 10 30 DEEEHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCOCC1 ZINC000425544075 405300393 /nfs/dbraw/zinc/30/03/93/405300393.db2.gz DAZWXNJUCXSCLF-JKSUJKDBSA-N 0 3 306.450 2.302 10 30 DEEEHN N#CCC[C@@H](NC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000440241269 405307265 /nfs/dbraw/zinc/30/72/65/405307265.db2.gz MQYMNTMIOGLCIK-QGZVFWFLSA-N 0 3 323.400 2.260 10 30 DEEEHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)n1C ZINC000448845431 405455346 /nfs/dbraw/zinc/45/53/46/405455346.db2.gz PZEVZLCEZAKPOX-OAHLLOKOSA-N 0 3 302.422 2.281 10 30 DEEEHN C=C1CC(C)(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)C1 ZINC000634194149 406049902 /nfs/dbraw/zinc/04/99/02/406049902.db2.gz LLFVVHXUQKSFFC-UHFFFAOYSA-N 0 3 300.406 2.128 10 30 DEEEHN C=CCCC(C)(C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638432875 406769514 /nfs/dbraw/zinc/76/95/14/406769514.db2.gz SJTBXEAPGJFTLW-INIZCTEOSA-N 0 3 303.450 2.307 10 30 DEEEHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CNCCOC1 ZINC000643620792 407018223 /nfs/dbraw/zinc/01/82/23/407018223.db2.gz NOFKSVHXKBKGKQ-NSHDSACASA-N 0 3 314.838 2.152 10 30 DEEEHN NCC#Cc1ccc(C(=O)NCc2cscn2)cc1Cl ZINC000129156447 196024981 /nfs/dbraw/zinc/02/49/81/196024981.db2.gz DNEZSWANDZZQLI-UHFFFAOYSA-N 0 3 305.790 2.037 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000132217719 196235722 /nfs/dbraw/zinc/23/57/22/196235722.db2.gz LWIZMJQYRJLXLN-PBHICJAKSA-N 0 3 314.433 2.428 10 30 DEEEHN C=CCN(C)S(=O)(=O)c1cc(CNC(C)C)ccc1F ZINC000132302269 196243028 /nfs/dbraw/zinc/24/30/28/196243028.db2.gz VNDWBIOKNREOJI-UHFFFAOYSA-N 0 3 300.399 2.130 10 30 DEEEHN CCN[C@H]1CCN(c2ccc(Br)cc2C#N)C1=O ZINC000133027042 196305775 /nfs/dbraw/zinc/30/57/75/196305775.db2.gz KPDSVJRTLZZUFS-NSHDSACASA-N 0 3 308.179 2.036 10 30 DEEEHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000408043783 267264952 /nfs/dbraw/zinc/26/49/52/267264952.db2.gz LLYNKCXIWRVCQU-NJAFHUGGSA-N 0 3 318.392 2.449 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000451589539 277773395 /nfs/dbraw/zinc/77/33/95/277773395.db2.gz VRAFCXFTNPLPMH-SOUVJXGZSA-N 0 3 310.438 2.121 10 30 DEEEHN CCOCCN1CCN(Cc2cccc(C#N)c2)C[C@H]1CC ZINC000106118018 519921735 /nfs/dbraw/zinc/92/17/35/519921735.db2.gz DGNHTNVBEXPGOT-GOSISDBHSA-N 0 3 301.434 2.491 10 30 DEEEHN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC)CC1 ZINC000292834290 526715864 /nfs/dbraw/zinc/71/58/64/526715864.db2.gz FKLYJXCRYVNGIA-UHFFFAOYSA-N 0 3 314.437 2.381 10 30 DEEEHN N#Cc1cccc(OCCCN2CCC[C@@H](n3cncn3)C2)c1 ZINC000156230216 526725860 /nfs/dbraw/zinc/72/58/60/526725860.db2.gz CJOPTWAKDYXWOW-MRXNPFEDSA-N 0 3 311.389 2.256 10 30 DEEEHN C=CCCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000447964766 527220064 /nfs/dbraw/zinc/22/00/64/527220064.db2.gz RFPSSVOBLFKZJE-UHFFFAOYSA-N 0 3 301.434 2.351 10 30 DEEEHN C=CCc1cc(CNCC2(C)OCCCO2)cc(OC)c1O ZINC000192248915 527242767 /nfs/dbraw/zinc/24/27/67/527242767.db2.gz AJZBDWFLKVYVIU-UHFFFAOYSA-N 0 3 307.390 2.372 10 30 DEEEHN C=CCC[C@H](O)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000305085755 527489424 /nfs/dbraw/zinc/48/94/24/527489424.db2.gz NWKPJRAVAGASFT-KRWDZBQOSA-N 0 3 308.466 2.474 10 30 DEEEHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000188720189 536474080 /nfs/dbraw/zinc/47/40/80/536474080.db2.gz WLGLRRDHXKJJGL-MLGOLLRUSA-N 0 3 301.365 2.254 10 30 DEEEHN C[C@H](OC1CCCCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000162262661 625203235 /nfs/dbraw/zinc/20/32/35/625203235.db2.gz HDZVMBUSXOARLA-ZFWWWQNUSA-N 0 3 306.406 2.446 10 30 DEEEHN N#CC(C(=O)CCCOc1ccccc1)C(=O)N1CCCC1 ZINC000124684571 633408481 /nfs/dbraw/zinc/40/84/81/633408481.db2.gz VSWPCOKHUGLGCU-OAHLLOKOSA-N 0 3 300.358 2.177 10 30 DEEEHN C#CCOc1ccc(Br)cc1CN[C@H](CO)CC=C ZINC000320834600 639670208 /nfs/dbraw/zinc/67/02/08/639670208.db2.gz AUMKELUNZVUUQX-AWEZNQCLSA-N 0 3 324.218 2.488 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000805183678 640091289 /nfs/dbraw/zinc/09/12/89/640091289.db2.gz JUULTFKMAXRYQT-IRXDYDNUSA-N 0 3 311.429 2.157 10 30 DEEEHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCSC ZINC000171481446 646702624 /nfs/dbraw/zinc/70/26/24/646702624.db2.gz PXLXLCJZWJDBRB-LLVKDONJSA-N 0 3 306.387 2.486 10 30 DEEEHN COc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000246390832 685129404 /nfs/dbraw/zinc/12/94/04/685129404.db2.gz VQPSXFAQDAQQMK-RRFJBIMHSA-N 0 3 300.358 2.032 10 30 DEEEHN C#CCN(CCC)S(=O)(=O)c1cc(CNC(C)C)cs1 ZINC000162146988 197548692 /nfs/dbraw/zinc/54/86/92/197548692.db2.gz AEQYCHOXZDPGPI-UHFFFAOYSA-N 0 3 314.476 2.280 10 30 DEEEHN COc1ccc(C#CCN)c(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000087794997 185232069 /nfs/dbraw/zinc/23/20/69/185232069.db2.gz JCYIBQYOFOHMQY-OKILXGFUSA-N 0 3 304.459 2.331 10 30 DEEEHN CN(CCOc1cccc(C#CCN)c1)CCC(F)(F)F ZINC000088433433 185249833 /nfs/dbraw/zinc/24/98/33/185249833.db2.gz NTYAECVCISBAHU-UHFFFAOYSA-N 0 3 300.324 2.260 10 30 DEEEHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1c[nH]c(C#N)c1 ZINC000328615006 529955226 /nfs/dbraw/zinc/95/52/26/529955226.db2.gz APGKZRLSFUUVNE-YOEHRIQHSA-N 0 3 323.400 2.046 10 30 DEEEHN C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)CCN1CCCCC1 ZINC000614730216 362449756 /nfs/dbraw/zinc/44/97/56/362449756.db2.gz WUHOIEHOUPLCCO-KRWDZBQOSA-N 0 3 323.481 2.182 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000625700104 365874991 /nfs/dbraw/zinc/87/49/91/365874991.db2.gz HRSROUIJXRXZIM-AWEZNQCLSA-N 0 3 306.381 2.219 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000625702325 365877106 /nfs/dbraw/zinc/87/71/06/365877106.db2.gz XIDOFBUNLGWFKC-HOCLYGCPSA-N 0 3 300.402 2.004 10 30 DEEEHN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000616242652 362805539 /nfs/dbraw/zinc/80/55/39/362805539.db2.gz WCLKWLSPXZASFE-QGZVFWFLSA-N 0 3 317.433 2.466 10 30 DEEEHN C[C@H]1SCCN(C(=O)c2ccc(C#CCN)cc2F)[C@H]1C ZINC000133661877 186004936 /nfs/dbraw/zinc/00/49/36/186004936.db2.gz NEYLNFXFQIHQDA-NWDGAFQWSA-N 0 3 306.406 2.102 10 30 DEEEHN C[C@H]1SCCN(C(=O)c2ccc(F)cc2C#CCN)[C@@H]1C ZINC000133677307 186005759 /nfs/dbraw/zinc/00/57/59/186005759.db2.gz XYMPCSCSYRVMFJ-VXGBXAGGSA-N 0 3 306.406 2.102 10 30 DEEEHN Cc1ccc(C(=O)NCc2sccc2C#CCN)c(F)c1 ZINC000148679494 186045433 /nfs/dbraw/zinc/04/54/33/186045433.db2.gz GEJRBDPHBHTNHJ-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN NCC#Cc1ccsc1CNC(=O)c1cc(F)ccc1F ZINC000148653646 186045595 /nfs/dbraw/zinc/04/55/95/186045595.db2.gz HWXLZRAAVUMZGK-UHFFFAOYSA-N 0 3 306.337 2.267 10 30 DEEEHN C=CCOc1ccc(CC(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000617549973 363176673 /nfs/dbraw/zinc/17/66/73/363176673.db2.gz CSRJAUVKSXAVLQ-MRXNPFEDSA-N 0 3 302.418 2.347 10 30 DEEEHN CN1CCN(/C=N/c2nc3ccccc3nc2N2CCCC2)CC1 ZINC000003289768 181000909 /nfs/dbraw/zinc/00/09/09/181000909.db2.gz ZERTYQHUJSLEBI-XMHGGMMESA-N 0 3 324.432 2.137 10 30 DEEEHN C=CCCC[C@H](C)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000091514099 355599888 /nfs/dbraw/zinc/59/98/88/355599888.db2.gz PXKYNSHECRYMFV-AWEZNQCLSA-N 0 3 302.422 2.047 10 30 DEEEHN CN(C)CCOc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081031949 192217150 /nfs/dbraw/zinc/21/71/50/192217150.db2.gz NBXBXCKPKBPMAR-UHFFFAOYSA-N 0 3 312.373 2.089 10 30 DEEEHN CCc1cc(C#CCN)ccc1N1C(=O)c2ccccc2C1=O ZINC000306222171 356403947 /nfs/dbraw/zinc/40/39/47/356403947.db2.gz VUJAFJZPICAWBU-UHFFFAOYSA-N 0 3 304.349 2.360 10 30 DEEEHN Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000081538404 192286091 /nfs/dbraw/zinc/28/60/91/192286091.db2.gz MRHBAAUAGDXZMV-KRWDZBQOSA-N 0 3 322.412 2.291 10 30 DEEEHN C=C(C)CN1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587971469 357384262 /nfs/dbraw/zinc/38/42/62/357384262.db2.gz XEXIWEPLKIXOEO-UHFFFAOYSA-N 0 3 320.393 2.122 10 30 DEEEHN C=CCOCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594975630 358371976 /nfs/dbraw/zinc/37/19/76/358371976.db2.gz YSRQZBUDDWMESH-UHFFFAOYSA-N 0 3 308.334 2.048 10 30 DEEEHN C=CCN1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968831 360648143 /nfs/dbraw/zinc/64/81/43/360648143.db2.gz QNEXJXJFGJBUJF-UHFFFAOYSA-N 0 3 314.336 2.215 10 30 DEEEHN CN(C)CCn1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000611487130 361608440 /nfs/dbraw/zinc/60/84/40/361608440.db2.gz AOSLWKPOIYPBQG-UHFFFAOYSA-N 0 3 317.780 2.222 10 30 DEEEHN C=CC(C)(C)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000623714213 365142581 /nfs/dbraw/zinc/14/25/81/365142581.db2.gz VCGGWQLZQCXROO-INIZCTEOSA-N 0 3 324.513 2.162 10 30 DEEEHN Cc1cscc1C(=O)NCc1cc(C#CCN)ccc1F ZINC000094248531 193354322 /nfs/dbraw/zinc/35/43/22/193354322.db2.gz ZLHFPSRAGZLWLK-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN NCC#Cc1cccc(O[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094408533 193367582 /nfs/dbraw/zinc/36/75/82/193367582.db2.gz WFGXVHRLOXLTNJ-IRXDYDNUSA-N 0 3 303.427 2.430 10 30 DEEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#CCO)s1 ZINC000094441017 193370487 /nfs/dbraw/zinc/37/04/87/193370487.db2.gz JRIMBRZLZHTPCB-LSDHHAIUSA-N 0 3 304.459 2.151 10 30 DEEEHN C[C@H](N[C@H]1CCCN(CCCO)C1)c1ccc(C#N)cc1F ZINC000453285953 245058827 /nfs/dbraw/zinc/05/88/27/245058827.db2.gz IFFCSSMZONBNFK-ZFWWWQNUSA-N 0 3 305.397 2.195 10 30 DEEEHN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccccc1C#CCN ZINC000042598223 183289623 /nfs/dbraw/zinc/28/96/23/183289623.db2.gz IZDHCOMETZQJQE-CQSZACIVSA-N 0 3 308.447 2.052 10 30 DEEEHN NCC#Cc1cc(Cl)ccc1NC(=O)NCC(F)(F)F ZINC000158105021 197243760 /nfs/dbraw/zinc/24/37/60/197243760.db2.gz XWZFLKDAWGLRJA-UHFFFAOYSA-N 0 3 305.687 2.334 10 30 DEEEHN NCC#Cc1ccc(Cl)cc1NC(=O)NCC(F)(F)F ZINC000158105187 197243382 /nfs/dbraw/zinc/24/33/82/197243382.db2.gz ZHWSDLUWJPPWJO-UHFFFAOYSA-N 0 3 305.687 2.334 10 30 DEEEHN CC[C@@H]1CN(Cc2cc(C#CCN)ccc2OC)CCS1 ZINC000158022975 197236241 /nfs/dbraw/zinc/23/62/41/197236241.db2.gz RLXDYVLNAPJCEM-MRXNPFEDSA-N 0 3 304.459 2.333 10 30 DEEEHN Cn1cc(CN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1C#N ZINC000377704435 133342206 /nfs/dbraw/zinc/34/22/06/133342206.db2.gz RXRGZDQFCXMEIC-MJGOQNOKSA-N 0 3 309.413 2.495 10 30 DEEEHN C=C(C)COc1cc(CN[C@H](C)Cn2cncn2)ccc1OC ZINC000127290564 401727549 /nfs/dbraw/zinc/72/75/49/401727549.db2.gz WBCPFKVVBSZXHM-CQSZACIVSA-N 0 3 316.405 2.420 10 30 DEEEHN CN(CC1CCN(C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186631328 402449887 /nfs/dbraw/zinc/44/98/87/402449887.db2.gz CRUDDJUVOIERCT-UHFFFAOYSA-N 0 3 311.429 2.390 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245667421 402477899 /nfs/dbraw/zinc/47/78/99/402477899.db2.gz RFKDPEXKQRNEGP-IRXDYDNUSA-N 0 3 317.433 2.324 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCOC1)C(C)C ZINC000171597211 402599582 /nfs/dbraw/zinc/59/95/82/402599582.db2.gz FEGQWPSUCQXTTM-CVEARBPZSA-N 0 3 309.454 2.163 10 30 DEEEHN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000180094974 402607026 /nfs/dbraw/zinc/60/70/26/402607026.db2.gz UTHVHTSEBHYRRZ-CHWSQXEVSA-N 0 3 302.378 2.145 10 30 DEEEHN C=CCCCC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000175661951 402823762 /nfs/dbraw/zinc/82/37/62/402823762.db2.gz VLIVSHIZLVTOKW-UHFFFAOYSA-N 0 3 316.449 2.148 10 30 DEEEHN C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000184263140 402831414 /nfs/dbraw/zinc/83/14/14/402831414.db2.gz CYSGNRAZFPNDOL-JTQLQIEISA-N 0 3 316.195 2.190 10 30 DEEEHN N#Cc1ccc(OCCCN2CCC(n3cncn3)CC2)cc1 ZINC000195315319 402841344 /nfs/dbraw/zinc/84/13/44/402841344.db2.gz UIMWDWUFZWAKGP-UHFFFAOYSA-N 0 3 311.389 2.256 10 30 DEEEHN C#CCO[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000298727264 403449367 /nfs/dbraw/zinc/44/93/67/403449367.db2.gz SIGLKPSSQYDVCD-ZVZYQTTQSA-N 0 3 312.413 2.168 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)C[C@@H](O)Cc2ccccc2)CC1 ZINC000362807822 403990457 /nfs/dbraw/zinc/99/04/57/403990457.db2.gz IKKCEVUKZCWWDI-SFHVURJKSA-N 0 3 316.445 2.137 10 30 DEEEHN C=CCOCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000348051754 404022709 /nfs/dbraw/zinc/02/27/09/404022709.db2.gz MYKMRHAMZZCPLX-GFCCVEGCSA-N 0 3 315.410 2.473 10 30 DEEEHN C=CCOc1ccc(CN[C@H](C(=O)NC)C(C)C)cc1OC ZINC000362955668 404024781 /nfs/dbraw/zinc/02/47/81/404024781.db2.gz SLTIMFHHZRCZBT-INIZCTEOSA-N 0 3 306.406 2.120 10 30 DEEEHN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329439616 404336500 /nfs/dbraw/zinc/33/65/00/404336500.db2.gz JRBFGYFXXBONMG-NUEKZKHPSA-N 0 3 320.437 2.329 10 30 DEEEHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329488986 404354349 /nfs/dbraw/zinc/35/43/49/404354349.db2.gz YFVZBMOAEFTOMV-CJNGLKHVSA-N 0 3 315.417 2.477 10 30 DEEEHN CCc1nc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cs1 ZINC000329709633 404429826 /nfs/dbraw/zinc/42/98/26/404429826.db2.gz NEHLMIOLOGSJKJ-NSHDSACASA-N 0 3 308.451 2.360 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnnn1Cc1ccccc1 ZINC000291641683 404460155 /nfs/dbraw/zinc/46/01/55/404460155.db2.gz BPJMMEZFTWJDDS-AEFFLSMTSA-N 0 3 312.417 2.397 10 30 DEEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CN(C)C1CC1 ZINC000351474842 404590115 /nfs/dbraw/zinc/59/01/15/404590115.db2.gz HJLQKGLNELNPTO-QGZVFWFLSA-N 0 3 319.405 2.038 10 30 DEEEHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330226881 404593561 /nfs/dbraw/zinc/59/35/61/404593561.db2.gz URCUKYNMDFTVEP-SQWLQELKSA-N 0 3 320.437 2.329 10 30 DEEEHN C=CCN(CCOC)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000358690146 404771498 /nfs/dbraw/zinc/77/14/98/404771498.db2.gz NPDCEEMRNNACKP-QGZVFWFLSA-N 0 3 319.449 2.003 10 30 DEEEHN N#Cc1cnccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000367436793 405049107 /nfs/dbraw/zinc/04/91/07/405049107.db2.gz SXTROEVDBARGRK-GOSISDBHSA-N 0 3 322.412 2.078 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418363063 405125368 /nfs/dbraw/zinc/12/53/68/405125368.db2.gz VQCLLIRLBIPVSP-HOTGVXAUSA-N 0 3 305.422 2.046 10 30 DEEEHN C[C@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000452126115 405185414 /nfs/dbraw/zinc/18/54/14/405185414.db2.gz QJYPQQYGDBRVGG-WMLDXEAASA-N 0 3 322.412 2.290 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000425849679 405324264 /nfs/dbraw/zinc/32/42/64/405324264.db2.gz FUVJXDPXCXCESV-HOTGVXAUSA-N 0 3 323.481 2.341 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000425570577 405304135 /nfs/dbraw/zinc/30/41/35/405304135.db2.gz HBVKHQLNKMBEHO-ULQDDVLXSA-N 0 3 317.433 2.180 10 30 DEEEHN C=CCN1CCC(NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000454554861 405363464 /nfs/dbraw/zinc/36/34/64/405363464.db2.gz XKZKQYNKZJJIEO-GFIVTLFCSA-N 0 3 315.461 2.490 10 30 DEEEHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)n2C)C1 ZINC000448774990 405446765 /nfs/dbraw/zinc/44/67/65/405446765.db2.gz PAVWCNDYASCDMK-HOCLYGCPSA-N 0 3 322.412 2.462 10 30 DEEEHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)n1C ZINC000448774682 405447061 /nfs/dbraw/zinc/44/70/61/405447061.db2.gz MBPQGTZRTHCRMT-UHFFFAOYSA-N 0 3 316.449 2.481 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000556330674 405475000 /nfs/dbraw/zinc/47/50/00/405475000.db2.gz IQNVTBORPAQUIR-MAZHCROVSA-N 0 3 306.381 2.326 10 30 DEEEHN C=C(C)COc1cc(CN(C[C@@H](O)CO)C(C)C)ccc1OC ZINC000421407618 405493335 /nfs/dbraw/zinc/49/33/35/405493335.db2.gz JOBAUNHKNCZQKB-MRXNPFEDSA-N 0 3 323.433 2.214 10 30 DEEEHN C=CCc1cc(CNCC[C@@](C)(O)COC)cc(OC)c1O ZINC000449383073 405533927 /nfs/dbraw/zinc/53/39/27/405533927.db2.gz DZHSJZLRRCDACR-QGZVFWFLSA-N 0 3 309.406 2.006 10 30 DEEEHN C=CCN(CC=C)C(=O)C(C)S(=O)(=O)Cc1ccccc1 ZINC000558480103 405665947 /nfs/dbraw/zinc/66/59/47/405665947.db2.gz AAQYAUISODTRCJ-AWEZNQCLSA-N 0 3 307.415 2.191 10 30 DEEEHN C=C(C)C[C@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC000630979591 405950254 /nfs/dbraw/zinc/95/02/54/405950254.db2.gz RESYIZNZMDWHDF-GDBMZVCRSA-N 0 3 315.417 2.394 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000527730918 406732863 /nfs/dbraw/zinc/73/28/63/406732863.db2.gz RZWSCGIZKSFGRK-FQLMCAECSA-N 0 3 309.454 2.138 10 30 DEEEHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CNCCOC1 ZINC000643620791 407018370 /nfs/dbraw/zinc/01/83/70/407018370.db2.gz NOFKSVHXKBKGKQ-LLVKDONJSA-N 0 3 314.838 2.152 10 30 DEEEHN C=CCNc1ncc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1 ZINC000128931359 196005446 /nfs/dbraw/zinc/00/54/46/196005446.db2.gz BXGCWXKEPFPHOU-NWDGAFQWSA-N 0 3 306.435 2.050 10 30 DEEEHN C[C@@H]1CNC[C@@H](COc2ccc(Br)cc2C#N)O1 ZINC000133807137 196337027 /nfs/dbraw/zinc/33/70/27/196337027.db2.gz GPNLPIVQKNJMFN-SKDRFNHKSA-N 0 3 311.179 2.076 10 30 DEEEHN C=CCCCN(C)S(=O)(=O)c1ccc(CNCCC)o1 ZINC000136042905 196516931 /nfs/dbraw/zinc/51/69/31/196516931.db2.gz NSLDQJTYEAXWTC-UHFFFAOYSA-N 0 3 300.424 2.366 10 30 DEEEHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000245786286 225223098 /nfs/dbraw/zinc/22/30/98/225223098.db2.gz VIIFIQMEKYWBMX-GDBMZVCRSA-N 0 3 311.389 2.406 10 30 DEEEHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC12CCC(CC1)C2 ZINC000296810646 226237664 /nfs/dbraw/zinc/23/76/64/226237664.db2.gz QDFGYQLYAPWHKQ-KSTDHSDQSA-N 0 3 311.433 2.439 10 30 DEEEHN Cc1cc(C#N)nc(NC[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000367720809 424869384 /nfs/dbraw/zinc/86/93/84/424869384.db2.gz MIWJXOVZZYHNAW-QGZVFWFLSA-N 0 3 321.428 2.981 10 30 DEEEHN Cc1cc(C#N)nc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000557630311 424885249 /nfs/dbraw/zinc/88/52/49/424885249.db2.gz JSAVHURQWUITPY-HNNXBMFYSA-N 0 3 315.808 3.025 10 30 DEEEHN N#Cc1cc(NC[C@@H]2CCCCN2Cc2ccccc2)ncn1 ZINC000379661185 424907637 /nfs/dbraw/zinc/90/76/37/424907637.db2.gz DOTJMNHJKBTTTQ-KRWDZBQOSA-N 0 3 307.401 2.815 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284351922 276859033 /nfs/dbraw/zinc/85/90/33/276859033.db2.gz SDPYSZACEKABAL-PKOBYXMFSA-N 0 3 315.461 2.446 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](O)CC[C@@H]1C)C(C)C ZINC000422185193 277851051 /nfs/dbraw/zinc/85/10/51/277851051.db2.gz YKDLCEUABNJZJG-YESZJQIVSA-N 0 3 323.481 2.240 10 30 DEEEHN C#CCC(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185419105 337205302 /nfs/dbraw/zinc/20/53/02/337205302.db2.gz HXKXZRILIUKUNN-IYBDPMFKSA-N 0 3 320.477 2.384 10 30 DEEEHN C=CCCCN(C)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270739780 337642308 /nfs/dbraw/zinc/64/23/08/337642308.db2.gz UOFPYNQPFFNRNA-UHFFFAOYSA-N 0 3 320.437 2.130 10 30 DEEEHN C=CCOCCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000339027428 526770187 /nfs/dbraw/zinc/77/01/87/526770187.db2.gz ZZXILLWAGPCZRM-OAHLLOKOSA-N 0 3 303.406 2.243 10 30 DEEEHN C=CCOCCN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000338892157 526771281 /nfs/dbraw/zinc/77/12/81/526771281.db2.gz MKWUMUXFBKUBSB-UHFFFAOYSA-N 0 3 302.418 2.217 10 30 DEEEHN C#CCOc1ccccc1CNCCNC(=O)c1ccccc1 ZINC000065979471 625921939 /nfs/dbraw/zinc/92/19/39/625921939.db2.gz NVLUVLRCHMTYRS-UHFFFAOYSA-N 0 3 308.381 2.218 10 30 DEEEHN C=CCN1CCC(Nc2nc(N(C)C)nc3[nH]c(C)cc32)CC1 ZINC000223901334 646505581 /nfs/dbraw/zinc/50/55/81/646505581.db2.gz SIDZMZVYYVYXAL-UHFFFAOYSA-N 0 3 314.437 2.395 10 30 DEEEHN CCOCCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171529092 646703767 /nfs/dbraw/zinc/70/37/67/646703767.db2.gz XDQNCWMONHHMPW-CYBMUJFWSA-N 0 3 324.764 2.040 10 30 DEEEHN CN(C)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccco1 ZINC000123153102 684122873 /nfs/dbraw/zinc/12/28/73/684122873.db2.gz KJPFARYOUKZXLO-OAHLLOKOSA-N 0 3 309.373 2.191 10 30 DEEEHN CCOCCN(CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131152349 684197100 /nfs/dbraw/zinc/19/71/00/684197100.db2.gz PCQUZIYJRRYPGJ-UHFFFAOYSA-N 0 3 313.405 2.441 10 30 DEEEHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccc(F)cc1 ZINC000612729640 361903007 /nfs/dbraw/zinc/90/30/07/361903007.db2.gz AOOIIXDHTJONCZ-HOTGVXAUSA-N 0 3 301.365 2.381 10 30 DEEEHN CCCO[C@H]1CCCN(C(=O)c2sccc2C#CCN)C1 ZINC000111541568 185611617 /nfs/dbraw/zinc/61/16/17/185611617.db2.gz YNEPJUQEGHAWPY-AWEZNQCLSA-N 0 3 306.431 2.090 10 30 DEEEHN N#C[C@]1(F)CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000615825426 362709068 /nfs/dbraw/zinc/70/90/68/362709068.db2.gz KYCPPLTVVXTBMI-QGZVFWFLSA-N 0 3 301.365 2.360 10 30 DEEEHN C=CC[C@@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000625700665 365874879 /nfs/dbraw/zinc/87/48/79/365874879.db2.gz DRVMGEIFWMATOA-CQSZACIVSA-N 0 3 308.447 2.335 10 30 DEEEHN C[C@H]1SCCN(CCOc2cccc(C#CCO)c2)[C@@H]1C ZINC000133784375 186012192 /nfs/dbraw/zinc/01/21/92/186012192.db2.gz KEKXYVJGFZVTSU-HUUCEWRRSA-N 0 3 305.443 2.235 10 30 DEEEHN CC(C)CCCCNS(=O)(=O)c1ccc(C#CCN)cc1 ZINC000147803568 186042150 /nfs/dbraw/zinc/04/21/50/186042150.db2.gz OCUUQFJEJHJWGX-UHFFFAOYSA-N 0 3 308.447 2.101 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/nfs/dbraw/zinc/38/73/45/357387345.db2.gz VMIBYQKYLYQORM-INIZCTEOSA-N 0 3 300.406 2.034 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602693388 360502564 /nfs/dbraw/zinc/50/25/64/360502564.db2.gz HOLILUBYYQNIAA-WFASDCNBSA-N 0 3 321.421 2.056 10 30 DEEEHN C=CCCCNCc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000623510066 365056264 /nfs/dbraw/zinc/05/62/64/365056264.db2.gz FPZLHXNWWZXSHM-UHFFFAOYSA-N 0 3 324.384 2.262 10 30 DEEEHN C=CCOc1c(Cl)cc(CN[C@H]2C[C@H](C(N)=O)C2)cc1OC ZINC000623661547 365122761 /nfs/dbraw/zinc/12/27/61/365122761.db2.gz XBWYCEHUWDEYGI-HAQNSBGRSA-N 0 3 324.808 2.267 10 30 DEEEHN C=CCOc1ccc(CNC[C@@H]2COCCN2C)cc1Cl ZINC000623712030 365142130 /nfs/dbraw/zinc/14/21/30/365142130.db2.gz VVQIXZZPHDXXBZ-CQSZACIVSA-N 0 3 310.825 2.325 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N(c2cccc(OCCN(C)C)c2)C1=O ZINC000630501955 367692371 /nfs/dbraw/zinc/69/23/71/367692371.db2.gz DDYLRMSONGNCMI-HNNXBMFYSA-N 0 3 317.389 2.018 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271690525 209129209 /nfs/dbraw/zinc/12/92/09/209129209.db2.gz IOCFWJAXPBMMOC-ZDUSSCGKSA-N 0 3 315.373 2.117 10 30 DEEEHN COc1cccc(NC(=O)Nc2ncc(C#CCN)s2)c1 ZINC000041093376 183164596 /nfs/dbraw/zinc/16/45/96/183164596.db2.gz JRKIBHGBXCKEML-UHFFFAOYSA-N 0 3 302.359 2.106 10 30 DEEEHN CN[C@H](C)c1cccc(S(=O)(=O)N(CCC#N)C(C)C)c1 ZINC000042530099 183281087 /nfs/dbraw/zinc/28/10/87/183281087.db2.gz UWTALOZTKCDGAL-CYBMUJFWSA-N 0 3 309.435 2.280 10 30 DEEEHN C[C@H](N)[C@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284878 183350183 /nfs/dbraw/zinc/35/01/83/183350183.db2.gz ORWXDNOZFZZNAZ-GZMMTYOYSA-N 0 3 313.224 2.248 10 30 DEEEHN NCC#Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1F ZINC000043582886 183373569 /nfs/dbraw/zinc/37/35/69/183373569.db2.gz RDMCIWYQCIWLRD-UHFFFAOYSA-N 0 3 303.724 2.437 10 30 DEEEHN CS(=O)(=O)c1cccc(OCc2cc(C#CCN)cs2)c1 ZINC000043689402 183381077 /nfs/dbraw/zinc/38/10/77/183381077.db2.gz XEVCFMBZYIMFFH-UHFFFAOYSA-N 0 3 321.423 2.041 10 30 DEEEHN COCCNCc1cc(Br)ccc1O[C@@H](C)C#N ZINC000062730189 184251150 /nfs/dbraw/zinc/25/11/50/184251150.db2.gz GHNJPNLHEBMZRA-JTQLQIEISA-N 0 3 313.195 2.476 10 30 DEEEHN CC#CCCN[C@@H](CN)c1cc(Br)ccc1OC ZINC000158389069 197268696 /nfs/dbraw/zinc/26/86/96/197268696.db2.gz PZMXLBFLSVCOOT-ZDUSSCGKSA-N 0 3 311.223 2.461 10 30 DEEEHN CC[C@@H]1CN(CCOc2ccc(C#CCO)cc2)CCS1 ZINC000158029326 197237267 /nfs/dbraw/zinc/23/72/67/197237267.db2.gz JOVYSPGSXTXFCQ-QGZVFWFLSA-N 0 3 305.443 2.237 10 30 DEEEHN CC[C@H]1CN(Cc2cc(C#CCN)ccc2OC)CCS1 ZINC000158023122 197236388 /nfs/dbraw/zinc/23/63/88/197236388.db2.gz RLXDYVLNAPJCEM-INIZCTEOSA-N 0 3 304.459 2.333 10 30 DEEEHN CSC(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000156685301 197132730 /nfs/dbraw/zinc/13/27/30/197132730.db2.gz QUGGVVGLRDIPKM-UHFFFAOYSA-N 0 3 312.460 2.063 10 30 DEEEHN CN(Cc1cc(C#CCN)cs1)C(=O)[C@@H]1CCCCS1 ZINC000156281647 197101363 /nfs/dbraw/zinc/10/13/63/197101363.db2.gz LWMRNFKLDCUWAV-AWEZNQCLSA-N 0 3 308.472 2.302 10 30 DEEEHN O=C(CNC1(CO)CCOCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329509301 285248066 /nfs/dbraw/zinc/24/80/66/285248066.db2.gz XETCSTBYQLDRAZ-UHFFFAOYSA-N 0 3 322.449 2.043 10 30 DEEEHN C=CCN1CCO[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]2C1 ZINC000248017048 257112425 /nfs/dbraw/zinc/11/24/25/257112425.db2.gz SUMLBXKWSISEQL-HOTGVXAUSA-N 0 3 320.458 2.026 10 30 DEEEHN CN1CCC(Oc2ccc(CNc3ccncc3C#N)cc2)CC1 ZINC000376459318 133295462 /nfs/dbraw/zinc/29/54/62/133295462.db2.gz FEKUALHWRSPMBL-UHFFFAOYSA-N 0 3 322.412 2.460 10 30 DEEEHN C=CCC[C@H](CN1CCSCC1)Oc1ccc(N(C)C)nn1 ZINC000072469523 401709642 /nfs/dbraw/zinc/70/96/42/401709642.db2.gz RACYUBRHMGZUHD-CQSZACIVSA-N 0 3 322.478 2.305 10 30 DEEEHN C=CCCCN(C)CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000076734780 401799162 /nfs/dbraw/zinc/79/91/62/401799162.db2.gz LVDMJSYTIXQVGU-UHFFFAOYSA-N 0 3 306.406 2.218 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000076734422 401799666 /nfs/dbraw/zinc/79/96/66/401799666.db2.gz QTASABHCAWEYGJ-CABCVRRESA-N 0 3 318.417 2.229 10 30 DEEEHN N#Cc1cccc(NC(=O)CN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128674626 401787781 /nfs/dbraw/zinc/78/77/81/401787781.db2.gz XOEPLQLSZDEDSC-DLBZAZTESA-N 0 3 323.400 2.467 10 30 DEEEHN CC[C@@H](CO)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135259877 401932609 /nfs/dbraw/zinc/93/26/09/401932609.db2.gz PRCAFNGYQYLKQP-KRWDZBQOSA-N 0 3 315.461 2.376 10 30 DEEEHN CC(C)c1csc(C(C#N)C(=O)c2cc(C(N)=O)cn2C)n1 ZINC000088817906 401934698 /nfs/dbraw/zinc/93/46/98/401934698.db2.gz GPMQGHKSDIFGDS-SNVBAGLBSA-N 0 3 316.386 2.194 10 30 DEEEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1cccc(OCC#N)c1 ZINC000089849964 401967853 /nfs/dbraw/zinc/96/78/53/401967853.db2.gz CYILQDAKVSWLOB-MRXNPFEDSA-N 0 3 317.433 2.224 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000120772271 402001197 /nfs/dbraw/zinc/00/11/97/402001197.db2.gz BQXJPENUJNKNSN-MRXNPFEDSA-N 0 3 315.417 2.074 10 30 DEEEHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000151903980 402064705 /nfs/dbraw/zinc/06/47/05/402064705.db2.gz UPBYMMCFWLXEAO-CQSZACIVSA-N 0 3 303.406 2.124 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(CC)cc1 ZINC000124030990 402160669 /nfs/dbraw/zinc/16/06/69/402160669.db2.gz SNGPADAXARRQPD-STQMWFEESA-N 0 3 303.406 2.300 10 30 DEEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000190449742 402601918 /nfs/dbraw/zinc/60/19/18/402601918.db2.gz FTEXCDSVJUQVKO-QGZVFWFLSA-N 0 3 307.401 2.307 10 30 DEEEHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(C2CC2)CC1 ZINC000172347872 402651575 /nfs/dbraw/zinc/65/15/75/402651575.db2.gz HJTBSYHMZHPSIR-CQSZACIVSA-N 0 3 312.417 2.055 10 30 DEEEHN C=CC[C@@H](CO)NCc1cnc2ccc(Br)cn12 ZINC000184267416 402831448 /nfs/dbraw/zinc/83/14/48/402831448.db2.gz WOLQPIFLYPCEGM-NSHDSACASA-N 0 3 310.195 2.123 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000286988601 403551605 /nfs/dbraw/zinc/55/16/05/403551605.db2.gz JTFOCBJWKUKAOP-NVXWUHKLSA-N 0 3 313.445 2.403 10 30 DEEEHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301409675 403624987 /nfs/dbraw/zinc/62/49/87/403624987.db2.gz 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CCN1CCN([C@H](C)CNC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329858197 404474842 /nfs/dbraw/zinc/47/48/42/404474842.db2.gz ZXIXQSOBSBMTTC-CABCVRRESA-N 0 3 324.469 2.116 10 30 DEEEHN N#Cc1cnc(NC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000261889987 145238035 /nfs/dbraw/zinc/23/80/35/145238035.db2.gz NOWLGJQQEQTUBF-CQSZACIVSA-N 0 3 309.329 2.160 10 30 DEEEHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)CN1CCN(C)CC1 ZINC000358576615 147159316 /nfs/dbraw/zinc/15/93/16/147159316.db2.gz UNCNYTMVQGPZID-HUUCEWRRSA-N 0 3 318.440 2.231 10 30 DEEEHN CCN1CCC[C@H]1CN(Cc1ccncc1)c1cnc(C#N)cn1 ZINC000126469413 401695652 /nfs/dbraw/zinc/69/56/52/401695652.db2.gz HSSOUHCBIQGSRK-KRWDZBQOSA-N 0 3 322.416 2.234 10 30 DEEEHN C=CCCCN(C)[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000121075862 402013735 /nfs/dbraw/zinc/01/37/35/402013735.db2.gz LHJVZXJPOZIMIH-LSDHHAIUSA-N 0 3 310.438 2.075 10 30 DEEEHN CN(CCC#N)C(=O)CCN1CCC[C@@H](c2nccs2)C1 ZINC000092795428 402009264 /nfs/dbraw/zinc/00/92/64/402009264.db2.gz DDJHLPLYWIWXCK-CYBMUJFWSA-N 0 3 306.435 2.085 10 30 DEEEHN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000124570988 402186204 /nfs/dbraw/zinc/18/62/04/402186204.db2.gz NWWWVMRJWOXZGJ-ZBFHGGJFSA-N 0 3 300.402 2.253 10 30 DEEEHN C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185162138 402329840 /nfs/dbraw/zinc/32/98/40/402329840.db2.gz LEYQXPJNBNNHIB-IAGOWNOFSA-N 0 3 317.433 2.060 10 30 DEEEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000245428052 402459896 /nfs/dbraw/zinc/45/98/96/402459896.db2.gz MJMARFMKTHHMBL-PBHICJAKSA-N 0 3 314.433 2.301 10 30 DEEEHN C=CCC1(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)CCC1 ZINC000188322419 402519437 /nfs/dbraw/zinc/51/94/37/402519437.db2.gz HFZJEROPOHHCLS-KRWDZBQOSA-N 0 3 319.493 2.361 10 30 DEEEHN Cc1ccccc1C[C@@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000188940242 402528414 /nfs/dbraw/zinc/52/84/14/402528414.db2.gz VCHKCEVXKVMYGD-KRWDZBQOSA-N 0 3 320.396 2.208 10 30 DEEEHN C=CCN1CCC(NC(=O)NCc2csc(CC)n2)CC1 ZINC000171686952 402609324 /nfs/dbraw/zinc/60/93/24/402609324.db2.gz IYNIIVTXFRUIEW-UHFFFAOYSA-N 0 3 308.451 2.155 10 30 DEEEHN C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000182832805 402720567 /nfs/dbraw/zinc/72/05/67/402720567.db2.gz QPEOYFAHFWDSHW-IAGOWNOFSA-N 0 3 319.449 2.306 10 30 DEEEHN C#CCOc1ccccc1CN[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174518090 402744989 /nfs/dbraw/zinc/74/49/89/402744989.db2.gz JGRFXIZBVOMQSY-KRWDZBQOSA-N 0 3 324.428 2.191 10 30 DEEEHN N#Cc1cccc(-c2cc(C(=O)N3CCN4CCC[C@@H]4C3)on2)c1 ZINC000279181599 402913374 /nfs/dbraw/zinc/91/33/74/402913374.db2.gz HYOWFRRGIWDVBI-OAHLLOKOSA-N 0 3 322.368 2.133 10 30 DEEEHN C=CC[C@H](CO)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000273433660 403004504 /nfs/dbraw/zinc/00/45/04/403004504.db2.gz LOZQNNOXHQOHSP-GDBMZVCRSA-N 0 3 320.433 2.131 10 30 DEEEHN C=CCOCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000294031578 403629296 /nfs/dbraw/zinc/62/92/96/403629296.db2.gz ICFJKQDUFKKPPX-GOEBONIOSA-N 0 3 308.809 2.404 10 30 DEEEHN C[C@@H](C(=O)N[C@H]1CCO[C@@H]1c1nccn1C)N1CCCCCC1 ZINC000328615824 404115411 /nfs/dbraw/zinc/11/54/11/404115411.db2.gz BBCGSRUDSQJANB-KKUMJFAQSA-N 0 3 320.437 2.471 10 30 DEEEHN CN(C)C[C@H](NC(=O)N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000328813721 404155881 /nfs/dbraw/zinc/15/58/81/404155881.db2.gz BTVRXJIHERMIAV-IKGGRYGDSA-N 0 3 317.433 2.360 10 30 DEEEHN CN(C)C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000328813722 404156595 /nfs/dbraw/zinc/15/65/95/404156595.db2.gz BTVRXJIHERMIAV-IXDOHACOSA-N 0 3 317.433 2.360 10 30 DEEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]CC1(C)COC1)C2 ZINC000329563854 404378281 /nfs/dbraw/zinc/37/82/81/404378281.db2.gz SBTONAQBBCJMLA-LBPRGKRZSA-N 0 3 320.437 2.036 10 30 DEEEHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451343809 404962192 /nfs/dbraw/zinc/96/21/92/404962192.db2.gz PZZDZUTVIGVIRG-BBWFWOEESA-N 0 3 306.450 2.203 10 30 DEEEHN C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000448964491 405476634 /nfs/dbraw/zinc/47/66/34/405476634.db2.gz VPEHBKKCQMEGFZ-KRWDZBQOSA-N 0 3 314.429 2.489 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000570165828 406355009 /nfs/dbraw/zinc/35/50/09/406355009.db2.gz NWFBXORBGYCBPB-QXSJWSMHSA-N 0 3 309.454 2.282 10 30 DEEEHN C=CCOc1ccc(CN[C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634980744 406384211 /nfs/dbraw/zinc/38/42/11/406384211.db2.gz MOQDPKFKXVJTSL-OAHLLOKOSA-N 0 3 309.431 2.308 10 30 DEEEHN C=CCOc1ccccc1CN[C@H]1CCCS(=O)(=O)CC1 ZINC000634961216 406372694 /nfs/dbraw/zinc/37/26/94/406372694.db2.gz OGHFJICPGRVHJT-HNNXBMFYSA-N 0 3 309.431 2.308 10 30 DEEEHN C=CCc1cc(CNC2(CC(=O)OC)CC2)cc(OC)c1O ZINC000572727580 406727920 /nfs/dbraw/zinc/72/79/20/406727920.db2.gz IQOVAITVXRZCGH-UHFFFAOYSA-N 0 3 305.374 2.315 10 30 DEEEHN COc1ccc(C#CCN)cc1CN1CCS[C@@H](C)[C@@H]1C ZINC000133766622 196335802 /nfs/dbraw/zinc/33/58/02/196335802.db2.gz FHOKEKFEACNJOK-KBPBESRZSA-N 0 3 304.459 2.331 10 30 DEEEHN N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000333165918 226102314 /nfs/dbraw/zinc/10/23/14/226102314.db2.gz IFXLJJQXFBPLNF-JYJNAYRXSA-N 0 3 304.438 2.339 10 30 DEEEHN C[C@H](NC(=O)c1ccnc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000193851912 267178788 /nfs/dbraw/zinc/17/87/88/267178788.db2.gz NFXWEJPGVCXWII-GUYCJALGSA-N 0 3 308.385 2.374 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000408043787 267264837 /nfs/dbraw/zinc/26/48/37/267264837.db2.gz LLYNKCXIWRVCQU-SZMVWBNQSA-N 0 3 318.392 2.449 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]12CCOC2)C(C)C ZINC000422172001 277851119 /nfs/dbraw/zinc/85/11/19/277851119.db2.gz NSVKCLAMVQFIKB-SJLPKXTDSA-N 0 3 321.465 2.259 10 30 DEEEHN CC1CCN(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188086606 333027640 /nfs/dbraw/zinc/02/76/40/333027640.db2.gz VZUJXFWMOJHFAC-UHFFFAOYSA-N 0 3 311.429 2.438 10 30 DEEEHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000188008316 333156825 /nfs/dbraw/zinc/15/68/25/333156825.db2.gz DBBZODZFDHGNDY-QAPCUYQASA-N 0 3 321.465 2.154 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCCC[C@@H](CCOC)C2)CC1 ZINC000363820237 526424777 /nfs/dbraw/zinc/42/47/77/526424777.db2.gz MJTSWKJARWQNIH-INIZCTEOSA-N 0 3 323.481 2.485 10 30 DEEEHN C=CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000338235056 526582636 /nfs/dbraw/zinc/58/26/36/526582636.db2.gz GUEUNYHRTDRFFL-INIZCTEOSA-N 0 3 302.422 2.264 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248601064 526699942 /nfs/dbraw/zinc/69/99/42/526699942.db2.gz AGOPHDHIVUBKHR-CRAIPNDOSA-N 0 3 316.445 2.472 10 30 DEEEHN C=CCOCCN1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000339186991 526770613 /nfs/dbraw/zinc/77/06/13/526770613.db2.gz XVJFEGUGKPOOSX-UHFFFAOYSA-N 0 3 321.421 2.208 10 30 DEEEHN C=CCOCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000373338408 526781290 /nfs/dbraw/zinc/78/12/90/526781290.db2.gz DONKXLAJHFPKHE-WBVHZDCISA-N 0 3 317.433 2.009 10 30 DEEEHN CC(=O)[C@@](C)(O)CN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000331349046 527137362 /nfs/dbraw/zinc/13/73/62/527137362.db2.gz XNDNCFKVZAFXKV-SFHVURJKSA-N 0 3 318.417 2.104 10 30 DEEEHN CC(C)(C)C1NC(=O)CCC1NC(=O)NC1CC2CCC1O2 ZINC000329431028 638635280 /nfs/dbraw/zinc/63/52/80/638635280.db2.gz HRTNLRPPCYLMRF-CBLPJQPBSA-N 0 3 309.410 2.344 10 30 DEEEHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCC[C@H]1O ZINC000323651452 642854109 /nfs/dbraw/zinc/85/41/09/642854109.db2.gz IXWUTRUHUBPHAM-ZIAGYGMSSA-N 0 3 324.218 2.464 10 30 DEEEHN C[C@H](CCOc1ccccc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173967549 646784634 /nfs/dbraw/zinc/78/46/34/646784634.db2.gz AYIDTOFDMBUIBQ-GDBMZVCRSA-N 0 3 314.385 2.423 10 30 DEEEHN C[C@@H](CCOc1ccccc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173967566 646784700 /nfs/dbraw/zinc/78/47/00/646784700.db2.gz AYIDTOFDMBUIBQ-HOCLYGCPSA-N 0 3 314.385 2.423 10 30 DEEEHN Cc1ccnc(N2CC[C@@H](OCCN3CCCCC3)C2)c1C#N ZINC000612086990 361742667 /nfs/dbraw/zinc/74/26/67/361742667.db2.gz OYFLPHFWNZBGRZ-MRXNPFEDSA-N 0 3 314.433 2.343 10 30 DEEEHN COc1ccc(C#CCCO)c(CN2CCCSCC2)c1 ZINC000087786696 185231647 /nfs/dbraw/zinc/23/16/47/185231647.db2.gz IZXGDHGBYZUCPJ-UHFFFAOYSA-N 0 3 305.443 2.368 10 30 DEEEHN C#CCOc1ccc(Br)cc1CNC[C@H](C)CO ZINC000088195654 185241590 /nfs/dbraw/zinc/24/15/90/185241590.db2.gz UHAAANFMOQKPAL-NSHDSACASA-N 0 3 312.207 2.179 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000625703962 365877209 /nfs/dbraw/zinc/87/72/09/365877209.db2.gz QGDABTPNTAUIFH-INIZCTEOSA-N 0 3 313.445 2.063 10 30 DEEEHN Cc1ccc(C#CCN)c(C(=O)N2CCS[C@H](C)[C@@H]2C)c1 ZINC000133664573 186004844 /nfs/dbraw/zinc/00/48/44/186004844.db2.gz JEUGHKIJUGLVEP-UONOGXRCSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CCC[C@@H](CN(C)C)Oc1ccc(C(=O)N2CCOCC2)o1 ZINC000072475975 191176541 /nfs/dbraw/zinc/17/65/41/191176541.db2.gz QSBFRTMWMSKHKR-AWEZNQCLSA-N 0 3 322.405 2.027 10 30 DEEEHN C=CC(C)(C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617705573 363227483 /nfs/dbraw/zinc/22/74/83/363227483.db2.gz YMDGAAKEMZPJKR-MRXNPFEDSA-N 0 3 302.418 2.082 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000083231834 355466273 /nfs/dbraw/zinc/46/62/73/355466273.db2.gz VHBYIMSQTGLXRI-GOSISDBHSA-N 0 3 321.465 2.239 10 30 DEEEHN C=CCCC[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000091506378 355600387 /nfs/dbraw/zinc/60/03/87/355600387.db2.gz JYSFTJZASUXANH-QGZVFWFLSA-N 0 3 307.482 2.361 10 30 DEEEHN C=CCCC[C@H](C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000091591083 355601239 /nfs/dbraw/zinc/60/12/39/355601239.db2.gz GGAXXHRWSGFXAL-DLBZAZTESA-N 0 3 307.482 2.360 10 30 DEEEHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2C#N)C1 ZINC000188720212 283163451 /nfs/dbraw/zinc/16/34/51/283163451.db2.gz WLGLRRDHXKJJGL-WBMJQRKESA-N 0 3 301.365 2.254 10 30 DEEEHN CC(C)N1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000594232892 358228517 /nfs/dbraw/zinc/22/85/17/358228517.db2.gz XPLRGJBJTVMUEC-GUYCJALGSA-N 0 3 312.417 2.312 10 30 DEEEHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)NCc1cccs1 ZINC000595840763 358562298 /nfs/dbraw/zinc/56/22/98/358562298.db2.gz DTRXBLVPEMQQJD-BETUJISGSA-N 0 3 319.430 2.257 10 30 DEEEHN C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000595877782 358570424 /nfs/dbraw/zinc/57/04/24/358570424.db2.gz KDLGGSQALGRFSP-DZGCQCFKSA-N 0 3 315.417 2.049 10 30 DEEEHN C=CCOc1ccc(CNCC[C@H](O)C(F)F)cc1OC ZINC000631219152 368086285 /nfs/dbraw/zinc/08/62/85/368086285.db2.gz LFILRNXUJSTSCC-LBPRGKRZSA-N 0 3 301.333 2.366 10 30 DEEEHN NCC#Cc1cnc(NC(=O)c2ccc(F)c(F)c2F)s1 ZINC000094185226 193347965 /nfs/dbraw/zinc/34/79/65/193347965.db2.gz FWFYSHJBFHWONF-UHFFFAOYSA-N 0 3 311.288 2.123 10 30 DEEEHN CN(Cc1cc(C#CCN)cs1)C(=O)c1ccccc1F ZINC000042400429 183264483 /nfs/dbraw/zinc/26/44/83/183264483.db2.gz GBDOEZVHYZUZNB-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000284790574 218180015 /nfs/dbraw/zinc/18/00/15/218180015.db2.gz MDPODTFFYOYMIC-JQHSSLGASA-N 0 3 318.392 2.449 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Cn2cccn2)CC1 ZINC000105886874 194157760 /nfs/dbraw/zinc/15/77/60/194157760.db2.gz JGJPVGMLDZVVOM-MRXNPFEDSA-N 0 3 316.449 2.184 10 30 DEEEHN Cc1ccc(C(=O)N2CCSC(C)(C)C2)c(C#CCN)c1 ZINC000159028723 197320097 /nfs/dbraw/zinc/32/00/97/197320097.db2.gz GJFUKVCIJRZVAQ-UHFFFAOYSA-N 0 3 302.443 2.273 10 30 DEEEHN C[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(C#CCN)cc1 ZINC000156279637 197101316 /nfs/dbraw/zinc/10/13/16/197101316.db2.gz MOTVREKMYQCMNT-XJKSGUPXSA-N 0 3 302.443 2.460 10 30 DEEEHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCO1 ZINC000193125306 533344677 /nfs/dbraw/zinc/34/46/77/533344677.db2.gz IKGZPTPDXPYKON-ZBFHGGJFSA-N 0 3 301.390 2.090 10 30 DEEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSc1ccc(C#N)cc1 ZINC000113225619 401770855 /nfs/dbraw/zinc/77/08/55/401770855.db2.gz WCTHQZGANHKPRU-UKRRQHHQSA-N 0 3 315.442 2.345 10 30 DEEEHN N#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128674390 401787729 /nfs/dbraw/zinc/78/77/29/401787729.db2.gz XOEPLQLSZDEDSC-IAGOWNOFSA-N 0 3 323.400 2.467 10 30 DEEEHN N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000115016232 401817380 /nfs/dbraw/zinc/81/73/80/401817380.db2.gz AXMGSBUKKYCMQS-UHFFFAOYSA-N 0 3 320.396 2.348 10 30 DEEEHN C[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCCC[C@H]1C ZINC000047143292 401979161 /nfs/dbraw/zinc/97/91/61/401979161.db2.gz XYOCTBOOQDCYPN-HUUCEWRRSA-N 0 3 315.417 2.316 10 30 DEEEHN C=CCN(C)C[C@H](O)COc1cccc(Br)c1 ZINC000121286116 402026116 /nfs/dbraw/zinc/02/61/16/402026116.db2.gz DELXGKPMHRMJHT-LBPRGKRZSA-N 0 3 300.196 2.307 10 30 DEEEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(C#N)cc1F ZINC000176336480 402301093 /nfs/dbraw/zinc/30/10/93/402301093.db2.gz CKRXKFKWQSUBOZ-HNNXBMFYSA-N 0 3 318.396 2.323 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185162080 402329584 /nfs/dbraw/zinc/32/95/84/402329584.db2.gz LEYQXPJNBNNHIB-IRXDYDNUSA-N 0 3 317.433 2.060 10 30 DEEEHN N#Cc1ccsc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000177760049 402433248 /nfs/dbraw/zinc/43/32/48/402433248.db2.gz NARPQPYGGWMMNJ-CQSZACIVSA-N 0 3 318.446 2.118 10 30 DEEEHN CC(C)(C)OC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178334028 402486152 /nfs/dbraw/zinc/48/61/52/402486152.db2.gz LTEMJTMTCHJHFN-CVEARBPZSA-N 0 3 316.401 2.255 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000187504668 402503404 /nfs/dbraw/zinc/50/34/04/402503404.db2.gz AVSOBVTVPAHINK-GOEBONIOSA-N 0 3 309.454 2.093 10 30 DEEEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000178751912 402534551 /nfs/dbraw/zinc/53/45/51/402534551.db2.gz OYFLGPDOYZMTRJ-KRWDZBQOSA-N 0 3 323.400 2.166 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171441837 402587508 /nfs/dbraw/zinc/58/75/08/402587508.db2.gz OJZQNHRULVAEBA-HOCLYGCPSA-N 0 3 313.401 2.022 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171777571 402621677 /nfs/dbraw/zinc/62/16/77/402621677.db2.gz HPDPJDNBORYUOP-INIZCTEOSA-N 0 3 315.417 2.241 10 30 DEEEHN Cn1cc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000191620341 402682489 /nfs/dbraw/zinc/68/24/89/402682489.db2.gz MDXAFCBQRZZNES-JSGCOSHPSA-N 0 3 315.339 2.470 10 30 DEEEHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000346908623 403607612 /nfs/dbraw/zinc/60/76/12/403607612.db2.gz 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C=CCN1CC[C@@H](N(C)C[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000639132457 405911234 /nfs/dbraw/zinc/91/12/34/405911234.db2.gz OPTLKJSSISYXPN-FUHWJXTLSA-N 0 3 313.445 2.232 10 30 DEEEHN C=CCC[C@H](CO)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637367124 406279839 /nfs/dbraw/zinc/27/98/39/406279839.db2.gz IOJCDFUEVCFRKB-ZBFHGGJFSA-N 0 3 309.454 2.020 10 30 DEEEHN C=CCN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)C1CC1 ZINC000637666906 406384020 /nfs/dbraw/zinc/38/40/20/406384020.db2.gz JFGWRWNCRLNNQT-UHFFFAOYSA-N 0 3 303.410 2.332 10 30 DEEEHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000489470032 406409717 /nfs/dbraw/zinc/40/97/17/406409717.db2.gz FNQUAJBWYOBIDG-KGLIPLIRSA-N 0 3 305.374 2.196 10 30 DEEEHN NCC#Cc1ccc(C(=O)N2CCCSCC2)cc1Cl ZINC000129062483 196016422 /nfs/dbraw/zinc/01/64/22/196016422.db2.gz SSMATCJRBSXUMI-UHFFFAOYSA-N 0 3 308.834 2.229 10 30 DEEEHN CSC[C@@H](C)CNC(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129161995 196024551 /nfs/dbraw/zinc/02/45/51/196024551.db2.gz FNUKDRGTSZVWSM-NSHDSACASA-N 0 3 310.850 2.379 10 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302.418 2.265 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000299281416 526931452 /nfs/dbraw/zinc/93/14/52/526931452.db2.gz SDIZJDLYYLCRGQ-KRWDZBQOSA-N 0 3 300.377 2.274 10 30 DEEEHN C=CCn1c(-c2ccoc2)nnc1N1CCN(CC2CC2)CC1 ZINC000337769087 527279732 /nfs/dbraw/zinc/27/97/32/527279732.db2.gz CSBHOSKXNRJMBY-UHFFFAOYSA-N 0 3 313.405 2.256 10 30 DEEEHN Cc1cc([N+](=O)[O-])ccc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000102122922 649936795 /nfs/dbraw/zinc/93/67/95/649936795.db2.gz LLUUAVMJPCFYCC-ZDUSSCGKSA-N 0 3 324.296 2.259 10 30 DEEEHN COC(=O)[C@@H](C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735310887 633500995 /nfs/dbraw/zinc/50/09/95/633500995.db2.gz FQUPNCVNBSMWPD-NSHDSACASA-N 0 3 310.781 2.483 10 30 DEEEHN N#CCN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000730579185 647363602 /nfs/dbraw/zinc/36/36/02/647363602.db2.gz ZUUNBNMZMBYQAA-UHFFFAOYSA-N 0 3 308.769 2.326 10 30 DEEEHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376389 684219081 /nfs/dbraw/zinc/21/90/81/684219081.db2.gz 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/nfs/dbraw/zinc/87/77/97/365877797.db2.gz QGDABTPNTAUIFH-MRXNPFEDSA-N 0 3 313.445 2.063 10 30 DEEEHN C[C@@H]1SCCN(C(=O)c2ccc(F)cc2C#CCN)[C@H]1C ZINC000133677116 186005672 /nfs/dbraw/zinc/00/56/72/186005672.db2.gz XYMPCSCSYRVMFJ-RYUDHWBXSA-N 0 3 306.406 2.102 10 30 DEEEHN Cc1ccc(F)cc1C(=O)NCc1sccc1C#CCN ZINC000148675067 186045669 /nfs/dbraw/zinc/04/56/69/186045669.db2.gz LWRGWJPTYYAUNA-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN CN(C)Cc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC000329854902 539930935 /nfs/dbraw/zinc/93/09/35/539930935.db2.gz SYWUOHAQKNAFTB-YESZJQIVSA-N 0 3 318.417 2.256 10 30 DEEEHN C#CCOc1ccc(F)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000173470593 198218044 /nfs/dbraw/zinc/21/80/44/198218044.db2.gz POMOACXNAWBNCQ-AWEZNQCLSA-N 0 3 317.364 2.150 10 30 DEEEHN C=CCCC[C@@H](C)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000091514279 355599732 /nfs/dbraw/zinc/59/97/32/355599732.db2.gz MYTFSAQADSFGPX-CQSZACIVSA-N 0 3 302.484 2.477 10 30 DEEEHN CN(Cc1ccccc1)C[C@@H](O)CN(CC#N)C1CCCC1 ZINC000304315373 356398032 /nfs/dbraw/zinc/39/80/32/356398032.db2.gz RKWOKLRFUFEKIH-GOSISDBHSA-N 0 3 301.434 2.247 10 30 DEEEHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCC(C#N)CC2)C1 ZINC000367017157 283162724 /nfs/dbraw/zinc/16/27/24/283162724.db2.gz ODPHFAJFAZIOIW-BACDZXNISA-N 0 3 318.465 2.442 10 30 DEEEHN COCCN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594425936 358266272 /nfs/dbraw/zinc/26/62/72/358266272.db2.gz NDEWDSOAMGFHIV-INIZCTEOSA-N 0 3 303.406 2.073 10 30 DEEEHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)NC1CCCCC1 ZINC000595845042 358562442 /nfs/dbraw/zinc/56/24/42/358562442.db2.gz KUJOLUPBAWWLER-GASCZTMLSA-N 0 3 305.422 2.328 10 30 DEEEHN CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1C[C@@H](C)O ZINC000610276498 361378655 /nfs/dbraw/zinc/37/86/55/361378655.db2.gz ALEAOFZYPTUZON-ZBFHGGJFSA-N 0 3 324.428 2.388 10 30 DEEEHN C=C[C@H](C(=O)OC)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000619718559 363864902 /nfs/dbraw/zinc/86/49/02/363864902.db2.gz PNEOOJREKQPXBW-DOTOQJQBSA-N 0 3 302.418 2.310 10 30 DEEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)n1C ZINC000450638926 242044712 /nfs/dbraw/zinc/04/47/12/242044712.db2.gz UWRFIFQLNHZXPQ-PBHICJAKSA-N 0 3 322.412 2.147 10 30 DEEEHN CC[C@H](C)CN(CC)S(=O)(=O)c1ccccc1C#CCN ZINC000093265092 193222843 /nfs/dbraw/zinc/22/28/43/193222843.db2.gz HMEWKQZOTAIMPD-AWEZNQCLSA-N 0 3 308.447 2.054 10 30 DEEEHN CC(C)N(CC(F)(F)F)C(=O)c1csc(C#CCN)c1 ZINC000093976217 193332827 /nfs/dbraw/zinc/33/28/27/193332827.db2.gz UZEBCWGEWJGCKY-UHFFFAOYSA-N 0 3 304.337 2.471 10 30 DEEEHN Cc1cc(C(=O)NCc2ccccc2F)sc1C#CCN ZINC000094536130 193377138 /nfs/dbraw/zinc/37/71/38/193377138.db2.gz LFZKVYJNCUGMPR-UHFFFAOYSA-N 0 3 302.374 2.436 10 30 DEEEHN Cc1cc(C(=O)Nc2nc(C)cc(C)n2)sc1C#CCN ZINC000094536271 193377198 /nfs/dbraw/zinc/37/71/98/193377198.db2.gz KFSDUDXKLYCWAA-UHFFFAOYSA-N 0 3 300.387 2.026 10 30 DEEEHN Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)sc1C#CCN ZINC000094536399 193378468 /nfs/dbraw/zinc/37/84/68/193378468.db2.gz QNCRASFXSIIJJT-CYBMUJFWSA-N 0 3 306.431 2.008 10 30 DEEEHN 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C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000576935367 406834033 /nfs/dbraw/zinc/83/40/33/406834033.db2.gz IVMDOUJNFDAFDA-JYJNAYRXSA-N 0 3 302.418 2.420 10 30 DEEEHN C=CCNc1ncc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)s1 ZINC000129650100 196064992 /nfs/dbraw/zinc/06/49/92/196064992.db2.gz OCLJPVQWGJUBRK-CHWSQXEVSA-N 0 3 320.462 2.440 10 30 DEEEHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccnc(C#N)c1 ZINC000193510087 225161742 /nfs/dbraw/zinc/16/17/42/225161742.db2.gz APIOCQBOFDOFSV-ZDUSSCGKSA-N 0 3 301.309 2.330 10 30 DEEEHN C=CCN1CC[C@H](N[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)C1=O ZINC000337216282 276897823 /nfs/dbraw/zinc/89/78/23/276897823.db2.gz ZEDGZKJAXFOZIC-UICACZKSSA-N 0 3 300.402 2.316 10 30 DEEEHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864687 280349072 /nfs/dbraw/zinc/34/90/72/280349072.db2.gz DRIRQSPYEBYISC-WBVHZDCISA-N 0 3 315.417 2.124 10 30 DEEEHN CN(C)CCN(C(=O)c1ccnc(C#N)c1)C1CCCCC1 ZINC000193230592 289125725 /nfs/dbraw/zinc/12/57/25/289125725.db2.gz 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ZINC000625702626 365877191 /nfs/dbraw/zinc/87/71/91/365877191.db2.gz HRXXKMFZBFKXRC-OAHLLOKOSA-N 0 3 302.418 2.252 10 30 DEEEHN Cc1nn(C)c(C)c1CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000121469935 185804734 /nfs/dbraw/zinc/80/47/34/185804734.db2.gz IAVKGPBPDVODBR-UHFFFAOYSA-N 0 3 317.481 2.485 10 30 DEEEHN Cc1c(C#CCN)cccc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000133668810 186005277 /nfs/dbraw/zinc/00/52/77/186005277.db2.gz WTQJNFZPSBJUKO-UONOGXRCSA-N 0 3 302.443 2.271 10 30 DEEEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C#N)cc2)CCN1C ZINC000173794651 198253341 /nfs/dbraw/zinc/25/33/41/198253341.db2.gz CHCNEMAMPUKNHC-CZUORRHYSA-N 0 3 300.406 2.182 10 30 DEEEHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)[C@H](C)O ZINC000445589580 540185042 /nfs/dbraw/zinc/18/50/42/540185042.db2.gz UJURWGSUVLHIJW-KBPBESRZSA-N 0 3 324.494 2.354 10 30 DEEEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C#N)cc1F ZINC000105721225 355721245 /nfs/dbraw/zinc/72/12/45/355721245.db2.gz RCTKWQMDKRMHNJ-HNNXBMFYSA-N 0 3 320.412 2.473 10 30 DEEEHN C=C(C)COCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179199420 356017057 /nfs/dbraw/zinc/01/70/57/356017057.db2.gz RFKDPEXKQRNEGP-DLBZAZTESA-N 0 3 317.433 2.324 10 30 DEEEHN C=CCOc1cccc(CN2CCN([C@H](CC)CO)CC2)c1 ZINC000179996666 199105112 /nfs/dbraw/zinc/10/51/12/199105112.db2.gz QMKQTSOSYQYSTA-QGZVFWFLSA-N 0 3 304.434 2.140 10 30 DEEEHN C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CN1C1CC1 ZINC000188300245 291133621 /nfs/dbraw/zinc/13/36/21/291133621.db2.gz RAYLKAJVWIJTLF-BBRMVZONSA-N 0 3 309.413 2.331 10 30 DEEEHN N#CCCCC[C@H](N)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000594429706 358268049 /nfs/dbraw/zinc/26/80/49/358268049.db2.gz VUSGMGSVIOCYCR-INIZCTEOSA-N 0 3 311.389 2.281 10 30 DEEEHN C#CCOc1ccc(Br)cc1CNC1CC(O)C1 ZINC000091432185 193054968 /nfs/dbraw/zinc/05/49/68/193054968.db2.gz SWKDVOMOMHLUFH-UHFFFAOYSA-N 0 3 310.191 2.074 10 30 DEEEHN COCc1cccc(NC(=O)c2csc(C#CCN)c2)c1 ZINC000093976072 193332803 /nfs/dbraw/zinc/33/28/03/193332803.db2.gz OXTBKUZIXZEZDM-UHFFFAOYSA-N 0 3 300.383 2.457 10 30 DEEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#CCO)s1 ZINC000094441016 193370512 /nfs/dbraw/zinc/37/05/12/193370512.db2.gz JRIMBRZLZHTPCB-HUUCEWRRSA-N 0 3 304.459 2.151 10 30 DEEEHN Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)sc1C#CCN ZINC000094536667 193378155 /nfs/dbraw/zinc/37/81/55/193378155.db2.gz RWYXYAFHEDHBBT-GFCCVEGCSA-N 0 3 306.431 2.006 10 30 DEEEHN Cc1cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)sc1C#CCN ZINC000094536877 193378259 /nfs/dbraw/zinc/37/82/59/193378259.db2.gz BBKHSOYSSOUGSB-VXGBXAGGSA-N 0 3 308.472 2.333 10 30 DEEEHN CN(Cc1cc(C#CCN)cs1)C(=O)c1cccc(F)c1 ZINC000042400456 183264350 /nfs/dbraw/zinc/26/43/50/183264350.db2.gz ZOKDHJAOLVIKKM-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN OCC#Cc1csc(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000062982335 184264169 /nfs/dbraw/zinc/26/41/69/184264169.db2.gz RLWMAEWZIWGKCL-MRXNPFEDSA-N 0 3 304.459 2.152 10 30 DEEEHN OCC#Cc1ccc(CN2CC[C@@H](N3CCCCC3)C2)s1 ZINC000062982337 184264508 /nfs/dbraw/zinc/26/45/08/184264508.db2.gz YVTLFUMIYFMLJP-OAHLLOKOSA-N 0 3 304.459 2.152 10 30 DEEEHN CCN[C@H](C)c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096533 184270580 /nfs/dbraw/zinc/27/05/80/184270580.db2.gz GYVYRPSLRSWZOL-QWHCGFSZSA-N 0 3 309.435 2.280 10 30 DEEEHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000362714351 133247277 /nfs/dbraw/zinc/24/72/77/133247277.db2.gz DRIYGYKYXLILMJ-CSMYWGQOSA-N 0 3 322.380 2.168 10 30 DEEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000247059246 145124732 /nfs/dbraw/zinc/12/47/32/145124732.db2.gz INIKKLHXLWFDIN-WMLDXEAASA-N 0 3 314.433 2.428 10 30 DEEEHN C[C@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000247382744 145135587 /nfs/dbraw/zinc/13/55/87/145135587.db2.gz LOXNJVLDYRRDOR-IJEWVQPXSA-N 0 3 315.417 2.267 10 30 DEEEHN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1cccc(C#N)c1 ZINC000131576241 401853101 /nfs/dbraw/zinc/85/31/01/401853101.db2.gz FDQPATYIDYPETE-AWEZNQCLSA-N 0 3 318.380 2.446 10 30 DEEEHN C=CC[C@H](C)NCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000116926552 401864020 /nfs/dbraw/zinc/86/40/20/401864020.db2.gz ZYTFOSVSLLCINB-AWEZNQCLSA-N 0 3 306.454 2.434 10 30 DEEEHN CN(CCC#N)c1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092648036 402007206 /nfs/dbraw/zinc/00/72/06/402007206.db2.gz MEUREXMDINKKFX-UHFFFAOYSA-N 0 3 324.432 2.465 10 30 DEEEHN CC[C@](C)(O)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000123468339 402129222 /nfs/dbraw/zinc/12/92/22/402129222.db2.gz XPJPVXQDDPRTPV-IBGZPJMESA-N 0 3 324.428 2.389 10 30 DEEEHN C=CC[C@H](CO)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000185780762 402376662 /nfs/dbraw/zinc/37/66/62/402376662.db2.gz BOQQAOPOXGNXOV-GFCCVEGCSA-N 0 3 302.374 2.161 10 30 DEEEHN C=CCn1c(C)cc(C(=O)CN2CCN3CCC[C@@H]3C2)c1C ZINC000177600138 402419294 /nfs/dbraw/zinc/41/92/94/402419294.db2.gz FDKOPPDDGXMMGH-MRXNPFEDSA-N 0 3 301.434 2.254 10 30 DEEEHN C[C@H](C#N)CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000187791289 402511417 /nfs/dbraw/zinc/51/14/17/402511417.db2.gz SFSIIPJQUYSZSU-QAPCUYQASA-N 0 3 314.433 2.500 10 30 DEEEHN C=CCN(CCOC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000189687693 402552166 /nfs/dbraw/zinc/55/21/66/402552166.db2.gz RHOSCUAOBRZWSI-SJORKVTESA-N 0 3 317.433 2.276 10 30 DEEEHN C#CCSCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179176229 402578363 /nfs/dbraw/zinc/57/83/63/402578363.db2.gz ZLFWVORUZKHSKZ-CVEARBPZSA-N 0 3 317.458 2.097 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCc3cc(OC)ccc32)CC1 ZINC000171736974 402617036 /nfs/dbraw/zinc/61/70/36/402617036.db2.gz NNMHGICWCIOADW-UHFFFAOYSA-N 0 3 315.417 2.418 10 30 DEEEHN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171806904 402624000 /nfs/dbraw/zinc/62/40/00/402624000.db2.gz ROWCAZYAYJAEOR-CQSZACIVSA-N 0 3 315.421 2.427 10 30 DEEEHN C=CCN1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000174381913 402738556 /nfs/dbraw/zinc/73/85/56/402738556.db2.gz PJCONWGNEBNESS-UHFFFAOYSA-N 0 3 310.423 2.061 10 30 DEEEHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000183140110 402742480 /nfs/dbraw/zinc/74/24/80/402742480.db2.gz FPDORAPOJMMOQM-YGRLFVJLSA-N 0 3 307.781 2.307 10 30 DEEEHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(C#N)c1 ZINC000192885150 402754974 /nfs/dbraw/zinc/75/49/74/402754974.db2.gz DNAGKANNJGHLOT-HZSPNIEDSA-N 0 3 300.406 2.049 10 30 DEEEHN C=CC[C@H](CO)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000184278978 402832670 /nfs/dbraw/zinc/83/26/70/402832670.db2.gz KQIWGVXKIZQNKH-CQSZACIVSA-N 0 3 305.374 2.037 10 30 DEEEHN C=CC[C@@H](CO)NCc1ccc(OC)c(Br)c1 ZINC000184287394 402833219 /nfs/dbraw/zinc/83/32/19/402833219.db2.gz GLHKIIIEWDIHMU-NSHDSACASA-N 0 3 300.196 2.484 10 30 DEEEHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2ccn[nH]2)CC1 ZINC000195506439 402848039 /nfs/dbraw/zinc/84/80/39/402848039.db2.gz ORCUASSKZRWQNK-ZDUSSCGKSA-N 0 3 323.400 2.488 10 30 DEEEHN C[C@H](CC(=O)N(C)[C@H]1CN2CCC1CC2)NC(=O)C1CCCC1 ZINC000329513758 404361751 /nfs/dbraw/zinc/36/17/51/404361751.db2.gz YCKCCFQTBDYEEM-CJNGLKHVSA-N 0 3 321.465 2.464 10 30 DEEEHN C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000355928434 404378365 /nfs/dbraw/zinc/37/83/65/404378365.db2.gz ATDCGYVLNSXYPK-RTBURBONSA-N 0 3 316.445 2.484 10 30 DEEEHN C=CC[C@@H](CO)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000351583642 404657286 /nfs/dbraw/zinc/65/72/86/404657286.db2.gz UOAJRKBQEBDMSE-JTQLQIEISA-N 0 3 301.289 2.043 10 30 DEEEHN C=CCOc1cccc(NC(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000415016920 404788619 /nfs/dbraw/zinc/78/86/19/404788619.db2.gz QSTZKCBPNAPAKJ-CYBMUJFWSA-N 0 3 311.332 2.370 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000424922101 405213120 /nfs/dbraw/zinc/21/31/20/405213120.db2.gz GQKLAICVFQQIEC-XIRDDKMYSA-N 0 3 306.450 2.491 10 30 DEEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000438849037 405256248 /nfs/dbraw/zinc/25/62/48/405256248.db2.gz JDLNUSASPJHGEF-HZPDHXFCSA-N 0 3 321.465 2.095 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1COCC1(C)C)C(C)C ZINC000455480810 405416443 /nfs/dbraw/zinc/41/64/43/405416443.db2.gz CCDCJDOBKPLCSY-CVEARBPZSA-N 0 3 323.481 2.409 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527986923 405469885 /nfs/dbraw/zinc/46/98/85/405469885.db2.gz NJPPTOMLZGDTDI-XHSDSOJGSA-N 0 3 307.438 2.036 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000527983555 405470038 /nfs/dbraw/zinc/47/00/38/405470038.db2.gz APQWKJRICDPLAY-ZACQAIPSSA-N 0 3 321.465 2.426 10 30 DEEEHN C=CCOc1ccc(CN2CC[C@@H](C(=O)NC)C2)cc1Cl ZINC000421393729 405488178 /nfs/dbraw/zinc/48/81/78/405488178.db2.gz WLOFCAVPYLPLHL-CYBMUJFWSA-N 0 3 308.809 2.473 10 30 DEEEHN C=CCN1CC[C@H](N(C)CC/C=C/c2cncc(OC)c2)C1=O ZINC000565477902 406072483 /nfs/dbraw/zinc/07/24/83/406072483.db2.gz UVBIAJVTFXQKLN-UABRLCRWSA-N 0 3 315.417 2.212 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000632661977 406219211 /nfs/dbraw/zinc/21/92/11/406219211.db2.gz PRKKMALZQIHENU-OAHLLOKOSA-N 0 3 323.481 2.038 10 30 DEEEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000547716152 406436007 /nfs/dbraw/zinc/43/60/07/406436007.db2.gz AYEUYIHYTDXEEP-CXAGYDPISA-N 0 3 309.413 2.189 10 30 DEEEHN Cc1ncsc1CNC(=O)c1ccc(C#CCN)c(Cl)c1 ZINC000129146926 196023573 /nfs/dbraw/zinc/02/35/73/196023573.db2.gz WUPWNXMBPITHQV-UHFFFAOYSA-N 0 3 319.817 2.345 10 30 DEEEHN C[C@H]1CNC[C@H](COc2ccc(C#N)cc2Br)O1 ZINC000133509767 196331019 /nfs/dbraw/zinc/33/10/19/196331019.db2.gz PPVJNJNYBADJPP-GXSJLCMTSA-N 0 3 311.179 2.076 10 30 DEEEHN COc1ccnc(NC2CCN(CCCSCC#N)CC2)n1 ZINC000192871257 225144430 /nfs/dbraw/zinc/14/44/30/225144430.db2.gz BJJLEZUUSINTMT-UHFFFAOYSA-N 0 3 321.450 2.008 10 30 DEEEHN N#C[C@H]1CCC[C@H](NCc2cnc(N3CCOCC3)c(F)c2)C1 ZINC000193290008 225156692 /nfs/dbraw/zinc/15/66/92/225156692.db2.gz MBUYBDTURCQJJJ-ZFWWWQNUSA-N 0 3 318.396 2.229 10 30 DEEEHN Cc1ncc(CNC(=[NH2+])Nc2cccc3c2CCCC3)c(=O)[n-]1 ZINC000262157616 225265477 /nfs/dbraw/zinc/26/54/77/225265477.db2.gz ASZUQNBUEMJPEW-UHFFFAOYSA-N 0 3 311.389 2.296 10 30 DEEEHN C=CCN(C(=O)NC[C@H]1CCN1C1CCCC1)[C@H](C)COC ZINC000637469636 424853101 /nfs/dbraw/zinc/85/31/01/424853101.db2.gz DFUFBNYNCFKWFC-GDBMZVCRSA-N 0 3 309.454 2.236 10 30 DEEEHN N#Cc1ccc2ncc(CNC[C@H](CO)c3ccccc3)n2c1 ZINC000175048626 325743376 /nfs/dbraw/zinc/74/33/76/325743376.db2.gz GLLMFTLZJYQMST-MRXNPFEDSA-N 0 3 306.369 2.072 10 30 DEEEHN C#CCCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000363414451 331901141 /nfs/dbraw/zinc/90/11/41/331901141.db2.gz NLCXBULVGCEFHY-KYJSFNMBSA-N 0 3 312.413 2.188 10 30 DEEEHN CN1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccccc1 ZINC000245635404 341306565 /nfs/dbraw/zinc/30/65/65/341306565.db2.gz JJORSDMWRGGXHG-IAGOWNOFSA-N 0 3 312.417 2.377 10 30 DEEEHN C=CCCCCCN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374826659 527133048 /nfs/dbraw/zinc/13/30/48/527133048.db2.gz FXSFKNSQYDYWLI-UHFFFAOYSA-N 0 3 300.468 2.233 10 30 DEEEHN CCOc1ccccc1CCC(=O)C(C#N)C(=O)NC(C)C ZINC000130883994 684193742 /nfs/dbraw/zinc/19/37/42/684193742.db2.gz IWMQLLIVRDFAQL-AWEZNQCLSA-N 0 3 302.374 2.251 10 30 DEEEHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246051899 685122190 /nfs/dbraw/zinc/12/21/90/685122190.db2.gz WETIIWJSBLTQTC-SDDRHHMPSA-N 0 3 306.312 2.302 10 30 DEEEHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248119535 685154858 /nfs/dbraw/zinc/15/48/58/685154858.db2.gz DQOZOSZOBMTRIP-JMSVASOKSA-N 0 3 316.357 2.300 10 30 DEEEHN C=CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000162823177 197593962 /nfs/dbraw/zinc/59/39/62/197593962.db2.gz DNVPOLLGHNQLQM-VIFPVBQESA-N 0 3 314.139 2.199 10 30 DEEEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000079212971 185161511 /nfs/dbraw/zinc/16/15/11/185161511.db2.gz MBLCXFBXYKUWPP-MRXNPFEDSA-N 0 3 302.422 2.334 10 30 DEEEHN CCN1CCC[C@@H](NC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000329837685 404467420 /nfs/dbraw/zinc/46/74/20/404467420.db2.gz ILBQSQLXKXOEKH-OAHLLOKOSA-N 0 3 315.417 2.126 10 30 DEEEHN CN(CCC(F)(F)F)C(=O)c1cc(C#CCN)ccc1F ZINC000088436897 185250324 /nfs/dbraw/zinc/25/03/24/185250324.db2.gz NSVWBLUXCWHGNM-UHFFFAOYSA-N 0 3 302.271 2.160 10 30 DEEEHN CN(C)C[C@H]1CSCCCN1C(=O)c1cccc(C#N)c1 ZINC000090700139 185310528 /nfs/dbraw/zinc/31/05/28/185310528.db2.gz NVESKVCQPVGXET-HNNXBMFYSA-N 0 3 303.431 2.068 10 30 DEEEHN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000616242651 362805434 /nfs/dbraw/zinc/80/54/34/362805434.db2.gz WCLKWLSPXZASFE-KRWDZBQOSA-N 0 3 317.433 2.466 10 30 DEEEHN C[C@@H](C[C@@H]1COCCN1)Nc1ccc(C#N)cc1Br ZINC000133681823 186006292 /nfs/dbraw/zinc/00/62/92/186006292.db2.gz NNOIZROBVGWOGR-CMPLNLGQSA-N 0 3 324.222 2.500 10 30 DEEEHN COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1C#CCO ZINC000133769110 186011181 /nfs/dbraw/zinc/01/11/81/186011181.db2.gz CELULRSJEKOHCO-KBPBESRZSA-N 0 3 305.443 2.365 10 30 DEEEHN CC(C(=O)Nc1ccc(C#N)cc1Br)=C1CNC1 ZINC000164038567 186146369 /nfs/dbraw/zinc/14/63/69/186146369.db2.gz WRQZYRRKRHNAHK-UHFFFAOYSA-N 0 3 306.163 2.179 10 30 DEEEHN C=CCc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc(OC)c1O ZINC000159569051 186127826 /nfs/dbraw/zinc/12/78/26/186127826.db2.gz MNALYIBMAICJIX-DOMZBBRYSA-N 0 3 318.417 2.215 10 30 DEEEHN C=CCc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc(OC)c1O ZINC000159569458 186127848 /nfs/dbraw/zinc/12/78/48/186127848.db2.gz MNALYIBMAICJIX-SWLSCSKDSA-N 0 3 318.417 2.215 10 30 DEEEHN CN(CC1CC1)C[C@@H]1CN(C(=O)N[C@H]2C=CCCC2)CCO1 ZINC000328625605 356462553 /nfs/dbraw/zinc/46/25/53/356462553.db2.gz DICWWJBTPNLYOH-JKSUJKDBSA-N 0 3 307.438 2.052 10 30 DEEEHN C=CCCSCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000595058740 358384938 /nfs/dbraw/zinc/38/49/38/358384938.db2.gz KONOYIFCCUKIEI-LBPRGKRZSA-N 0 3 314.476 2.294 10 30 DEEEHN C[C@@H]1CCCN(C(=O)N(C)Cc2cc(C#CCN)cs2)C1 ZINC000091992514 193138284 /nfs/dbraw/zinc/13/82/84/193138284.db2.gz ZUAYVAQFKRAZRK-CYBMUJFWSA-N 0 3 305.447 2.342 10 30 DEEEHN C=CCOc1ccc(CNCC[C@@H](O)C(F)F)cc1OC ZINC000631219151 368086753 /nfs/dbraw/zinc/08/67/53/368086753.db2.gz LFILRNXUJSTSCC-GFCCVEGCSA-N 0 3 301.333 2.366 10 30 DEEEHN C#CCOc1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000093150553 193208459 /nfs/dbraw/zinc/20/84/59/193208459.db2.gz FKTZDGNDCKWTNU-UHFFFAOYSA-N 0 3 322.412 2.201 10 30 DEEEHN Cc1noc(C)c1[C@@H](C)NC(=O)c1csc(C#CCN)c1 ZINC000093976696 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309.435 2.498 10 30 DEEEHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCO1 ZINC000193125322 299274708 /nfs/dbraw/zinc/27/47/08/299274708.db2.gz IKGZPTPDXPYKON-GOEBONIOSA-N 0 3 301.390 2.090 10 30 DEEEHN N#CCCCC[C@H](N)C(=O)NCc1cccc(Br)c1 ZINC000594426394 358266317 /nfs/dbraw/zinc/26/63/17/358266317.db2.gz CLHMSWNLOQFGNQ-ZDUSSCGKSA-N 0 3 324.222 2.477 10 30 DEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602887009 360609924 /nfs/dbraw/zinc/60/99/24/360609924.db2.gz TZKDIMLJQNCNEW-GBESFXJTSA-N 0 3 313.445 2.295 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nccn3c2)CC1 ZINC000606582728 361022717 /nfs/dbraw/zinc/02/27/17/361022717.db2.gz AURKVYMNCYMNCW-UHFFFAOYSA-N 0 3 313.405 2.496 10 30 DEEEHN CC(C)N1CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000609252509 361291466 /nfs/dbraw/zinc/29/14/66/361291466.db2.gz GGQKZPVIXLQTHK-UHFFFAOYSA-N 0 3 318.396 2.323 10 30 DEEEHN NCC#Cc1cnccc1C(=O)Nc1ccc(Cl)cc1F ZINC000091462219 193059600 /nfs/dbraw/zinc/05/96/00/193059600.db2.gz DCNLCTGGHVVCNE-UHFFFAOYSA-N 0 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CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@@H]1CCNC1=O ZINC000328818813 404155270 /nfs/dbraw/zinc/15/52/70/404155270.db2.gz HWGSNZOKRVDMFO-ZNMIVQPWSA-N 0 3 316.405 2.006 10 30 DEEEHN CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000329439615 404336869 /nfs/dbraw/zinc/33/68/69/404336869.db2.gz JRBFGYFXXBONMG-CWRNSKLLSA-N 0 3 320.437 2.329 10 30 DEEEHN CC1(C#N)CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000364703954 404510120 /nfs/dbraw/zinc/51/01/20/404510120.db2.gz RPSQUPZKPUMVGK-UHFFFAOYSA-N 0 3 319.449 2.174 10 30 DEEEHN Cn1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c(C2CC2)n1 ZINC000329840597 404466601 /nfs/dbraw/zinc/46/66/01/404466601.db2.gz WJYOJDCTERAFKX-AWEZNQCLSA-N 0 3 317.437 2.403 10 30 DEEEHN CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)no1 ZINC000330264540 404607372 /nfs/dbraw/zinc/60/73/72/404607372.db2.gz YBLRINTZGHELEN-STQMWFEESA-N 0 3 321.425 2.338 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN1CCC2(CCC(O)CC2)CC1 ZINC000451142436 404879051 /nfs/dbraw/zinc/87/90/51/404879051.db2.gz 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/nfs/dbraw/zinc/66/58/72/405665872.db2.gz AAQYAUISODTRCJ-CQSZACIVSA-N 0 3 307.415 2.191 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000450277645 405812293 /nfs/dbraw/zinc/81/22/93/405812293.db2.gz PPQHJGATPIBVAS-WCXIOVBPSA-N 0 3 300.402 2.139 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000637320815 406257914 /nfs/dbraw/zinc/25/79/14/406257914.db2.gz AEIZPBINJJBOBV-INIZCTEOSA-N 0 3 322.497 2.010 10 30 DEEEHN CCn1cc(NC(=O)c2ccc(C#CCN)c(Cl)c2)cn1 ZINC000129037227 196014024 /nfs/dbraw/zinc/01/40/24/196014024.db2.gz DNLDTAXMQUXPHW-UHFFFAOYSA-N 0 3 302.765 2.119 10 30 DEEEHN Cc1cc(C#CCN)cc(C(=O)N2C[C@@H](C)S[C@H](C)C2)c1 ZINC000131808967 196200883 /nfs/dbraw/zinc/20/08/83/196200883.db2.gz LKPIGACLXGPRHB-ZIAGYGMSSA-N 0 3 302.443 2.271 10 30 DEEEHN C[C@@H]1CNC[C@H](COc2cc(Br)ccc2C#N)O1 ZINC000133424632 196330861 /nfs/dbraw/zinc/33/08/61/196330861.db2.gz BLAKFIHQQMCGSU-BXKDBHETSA-N 0 3 311.179 2.076 10 30 DEEEHN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000333245705 226104267 /nfs/dbraw/zinc/10/42/67/226104267.db2.gz BRMYOGXKOWIUAA-MFKMUULPSA-N 0 3 302.353 2.285 10 30 DEEEHN C=CCN(C(=O)NC[C@@H]1CCN1C1CCCC1)[C@H](C)COC ZINC000637469639 424853063 /nfs/dbraw/zinc/85/30/63/424853063.db2.gz DFUFBNYNCFKWFC-ZBFHGGJFSA-N 0 3 309.454 2.236 10 30 DEEEHN C#CCOc1ccccc1CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000375076245 424891422 /nfs/dbraw/zinc/89/14/22/424891422.db2.gz XQVDDGJKXUYUIH-HNNXBMFYSA-N 0 3 322.412 2.450 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000408043782 267264420 /nfs/dbraw/zinc/26/44/20/267264420.db2.gz LLYNKCXIWRVCQU-JQHSSLGASA-N 0 3 318.392 2.449 10 30 DEEEHN N#Cc1cnc2ccc(Br)cc2c1N1CCNCC1 ZINC000053994938 274930172 /nfs/dbraw/zinc/93/01/72/274930172.db2.gz INYGBPFUIXJPBF-UHFFFAOYSA-N 0 3 317.190 2.279 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)N[C@H](Cc1ccccc1)C(N)=O ZINC000285208031 277697796 /nfs/dbraw/zinc/69/77/96/277697796.db2.gz TXJJGCQHYNEBIN-RTBURBONSA-N 0 3 306.409 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C=CCN1CCC(NC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000357959924 404749099 /nfs/dbraw/zinc/74/90/99/404749099.db2.gz PJYDXDICQFSODL-UHFFFAOYSA-N 0 3 313.405 2.013 10 30 DEEEHN C=CCc1cc(CN[C@H]2CNCCC2(F)F)cc(OC)c1O ZINC000414999323 404784995 /nfs/dbraw/zinc/78/49/95/404784995.db2.gz KEYYQCPYGKAXMI-AWEZNQCLSA-N 0 3 312.360 2.216 10 30 DEEEHN C=CCc1cc(CN[C@@H]2CNCCC2(F)F)cc(OC)c1O ZINC000414999325 404785010 /nfs/dbraw/zinc/78/50/10/404785010.db2.gz KEYYQCPYGKAXMI-CQSZACIVSA-N 0 3 312.360 2.216 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451338201 404959575 /nfs/dbraw/zinc/95/95/75/404959575.db2.gz HNTVKSIFOMOWAJ-GVDBMIGSSA-N 0 3 308.466 2.427 10 30 DEEEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccncc1C#N ZINC000367330805 405014619 /nfs/dbraw/zinc/01/46/19/405014619.db2.gz BKHOOODAXWKOGY-LJQANCHMSA-N 0 3 322.412 2.026 10 30 DEEEHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418746486 405189985 /nfs/dbraw/zinc/18/99/85/405189985.db2.gz IBLQFADPRGWSBS-AWEZNQCLSA-N 0 3 309.360 2.381 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/nfs/dbraw/zinc/24/97/11/527249711.db2.gz CBDHLIGUUGVMNC-HZPDHXFCSA-N 0 3 324.465 2.465 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000247027928 527627883 /nfs/dbraw/zinc/62/78/83/527627883.db2.gz MEVBYFREHVARIH-WBVHZDCISA-N 0 3 316.449 2.245 10 30 DEEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248179644 527635952 /nfs/dbraw/zinc/63/59/52/527635952.db2.gz WEKQMWXODVOKDX-JZXOWHBKSA-N 0 3 306.450 2.203 10 30 DEEEHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000336927773 528358577 /nfs/dbraw/zinc/35/85/77/528358577.db2.gz YKCFXXUTNDSNHK-JFIYKMOQSA-N 0 3 321.465 2.154 10 30 DEEEHN CON=Cc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000255491607 624839855 /nfs/dbraw/zinc/83/98/55/624839855.db2.gz BTZYSEKRYMAMDN-AWEZNQCLSA-N 0 3 303.406 2.271 10 30 DEEEHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCO[C@H](C)C1 ZINC000172610003 646744698 /nfs/dbraw/zinc/74/46/98/646744698.db2.gz DXXSTZITEKDJHB-CYBMUJFWSA-N 0 3 311.389 2.194 10 30 DEEEHN C=CCCO[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000069345815 648594596 /nfs/dbraw/zinc/59/45/96/648594596.db2.gz SDECQSRLJYRKOY-CHWSQXEVSA-N 0 3 302.378 2.162 10 30 DEEEHN N#Cc1ccc(CNCCn2cc(Br)cn2)cc1F ZINC000404154258 802000635 /nfs/dbraw/zinc/00/06/35/802000635.db2.gz UUYPSHQQVWGATF-UHFFFAOYSA-N 0 3 323.169 2.446 10 30 DEEEHN C[C@@H]1CNC[C@@H](COc2ccc(C#N)c(C(F)(F)F)c2)O1 ZINC000133611405 186000015 /nfs/dbraw/zinc/00/00/15/186000015.db2.gz OXGRFJJRPWOATF-SKDRFNHKSA-N 0 3 300.280 2.333 10 30 DEEEHN Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)cc1C#CCN ZINC000133672688 186005523 /nfs/dbraw/zinc/00/55/23/186005523.db2.gz YGKXKXZIZLMPLV-KGLIPLIRSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CCc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc(OC)c1O ZINC000159569326 186127964 /nfs/dbraw/zinc/12/79/64/186127964.db2.gz MNALYIBMAICJIX-IUODEOHRSA-N 0 3 318.417 2.215 10 30 DEEEHN C=CCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000066320258 354709148 /nfs/dbraw/zinc/70/91/48/354709148.db2.gz PGQCVBNWDCFZTG-DOTOQJQBSA-N 0 3 304.434 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C=CCNc1ncc(C(=O)N(C)C[C@@H]2CCCN2CC)s1 ZINC000129559195 401805709 /nfs/dbraw/zinc/80/57/09/401805709.db2.gz ZTPZLZATFVNFIY-LBPRGKRZSA-N 0 3 308.451 2.297 10 30 DEEEHN C#CCCOc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000113338985 401777024 /nfs/dbraw/zinc/77/70/24/401777024.db2.gz RVSYPGCOSBGGJT-IBGZPJMESA-N 0 3 314.429 2.042 10 30 DEEEHN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000062499429 402110493 /nfs/dbraw/zinc/11/04/93/402110493.db2.gz SOPFJKPDXAXQBE-QGZVFWFLSA-N 0 3 317.408 2.455 10 30 DEEEHN C#CCCOc1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162609355 402426021 /nfs/dbraw/zinc/42/60/21/402426021.db2.gz LJFIHKQJDDKJLP-UHFFFAOYSA-N 0 3 314.429 2.389 10 30 DEEEHN C#CCOCCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000163410141 402449032 /nfs/dbraw/zinc/44/90/32/402449032.db2.gz IHRSYIRPCAEJPM-LJQANCHMSA-N 0 3 314.429 2.197 10 30 DEEEHN C[C@H]1CN(C2CCN(Cc3cc(F)ccc3C#N)CC2)CCO1 ZINC000177318907 402391223 /nfs/dbraw/zinc/39/12/23/402391223.db2.gz WHWJFMRQUNFIBJ-AWEZNQCLSA-N 0 3 317.408 2.382 10 30 DEEEHN C=CCN1CCC(NC(=O)N(CC)CCc2nccs2)CC1 ZINC000178830004 402544211 /nfs/dbraw/zinc/54/42/11/402544211.db2.gz XBXDRZJDQNFMFA-UHFFFAOYSA-N 0 3 322.478 2.368 10 30 DEEEHN C=CCN1CCC(NC(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000171728420 402615806 /nfs/dbraw/zinc/61/58/06/402615806.db2.gz ZJKIDUJBMLDPHQ-OAHLLOKOSA-N 0 3 301.390 2.070 10 30 DEEEHN C=CCCCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000267298002 403034156 /nfs/dbraw/zinc/03/41/56/403034156.db2.gz KRGOTYSWFUYETP-UHFFFAOYSA-N 0 3 304.438 2.162 10 30 DEEEHN C=CCOc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000347254488 403638544 /nfs/dbraw/zinc/63/85/44/403638544.db2.gz IBTGXKDSXMEPIT-BHYGNILZSA-N 0 3 300.402 2.337 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000288055587 403716624 /nfs/dbraw/zinc/71/66/24/403716624.db2.gz FLQMNWVAHXVZRG-ROUUACIJSA-N 0 3 313.445 2.357 10 30 DEEEHN C=CCN(CC=C)C(=O)CN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000362238263 403938136 /nfs/dbraw/zinc/93/81/36/403938136.db2.gz VWOHROOXQRHGOW-MAUKXSAKSA-N 0 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304.390 2.329 10 30 DEEEHN C=CC[C@H](CO)NCc1ccc(I)s1 ZINC000602613111 360457649 /nfs/dbraw/zinc/45/76/49/360457649.db2.gz OZIZWNQRMDXKMY-MRVPVSSYSA-N 0 3 323.199 2.379 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602694951 360503649 /nfs/dbraw/zinc/50/36/49/360503649.db2.gz QPRMPTJLNXBGMB-WFASDCNBSA-N 0 3 321.421 2.056 10 30 DEEEHN C=CCN(CCC#N)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000603084924 360694088 /nfs/dbraw/zinc/69/40/88/360694088.db2.gz YHPLRAKJQKASIJ-UHFFFAOYSA-N 0 3 316.409 2.083 10 30 DEEEHN CC(C)CN(C(=O)c1ccnc(C#N)c1)C1CCN(C)CC1 ZINC000193252403 201013848 /nfs/dbraw/zinc/01/38/48/201013848.db2.gz ZBUGDDOHRBBRDE-UHFFFAOYSA-N 0 3 300.406 2.146 10 30 DEEEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610248026 361372657 /nfs/dbraw/zinc/37/26/57/361372657.db2.gz DLPZGIBWCCXFBN-CZUORRHYSA-N 0 3 323.400 2.277 10 30 DEEEHN C=CCOc1c(Cl)cc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1OC ZINC000623560167 365078991 /nfs/dbraw/zinc/07/89/91/365078991.db2.gz 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ZINC000113338547 401776718 /nfs/dbraw/zinc/77/67/18/401776718.db2.gz OVNKUSOXCIUTBI-INIZCTEOSA-N 0 3 324.428 2.347 10 30 DEEEHN N#Cc1ccc2ncc(CNCCC(=O)Nc3ccccc3)n2c1 ZINC000123751911 402144535 /nfs/dbraw/zinc/14/45/35/402144535.db2.gz OHKRQEIQDRLJCM-UHFFFAOYSA-N 0 3 319.368 2.324 10 30 DEEEHN C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000184587388 402279590 /nfs/dbraw/zinc/27/95/90/402279590.db2.gz ZVUDAEJRCOEAGB-MAUKXSAKSA-N 0 3 316.445 2.124 10 30 DEEEHN C=CCN(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176628941 402324887 /nfs/dbraw/zinc/32/48/87/402324887.db2.gz QHIHCENFTVLYTE-QGZVFWFLSA-N 0 3 322.474 2.346 10 30 DEEEHN C=CC[C@H](CO)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185883777 402385623 /nfs/dbraw/zinc/38/56/23/402385623.db2.gz KPKSOUABYYHJIN-DOTOQJQBSA-N 0 3 320.408 2.091 10 30 DEEEHN C=CCOc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1OC ZINC000170856223 402533394 /nfs/dbraw/zinc/53/33/94/402533394.db2.gz VAMRSXWLMXLYCD-CQSZACIVSA-N 0 3 304.390 2.036 10 30 DEEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248075186 402582095 /nfs/dbraw/zinc/58/20/95/402582095.db2.gz MVPMGZWKHVEGEO-JZXOWHBKSA-N 0 3 308.466 2.427 10 30 DEEEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248617709 402599386 /nfs/dbraw/zinc/59/93/86/402599386.db2.gz SAHFASKIYADLGT-XJADACSNSA-N 0 3 321.465 2.463 10 30 DEEEHN C[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000253546373 402668606 /nfs/dbraw/zinc/66/86/06/402668606.db2.gz IPBSXETXULZADE-RBSFLKMASA-N 0 3 315.417 2.315 10 30 DEEEHN Cn1cc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1C#N ZINC000191620386 402682409 /nfs/dbraw/zinc/68/24/09/402682409.db2.gz MDXAFCBQRZZNES-TZMCWYRMSA-N 0 3 315.339 2.470 10 30 DEEEHN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000184236955 402829649 /nfs/dbraw/zinc/82/96/49/402829649.db2.gz HRIOZLOHXYGUMQ-SJORKVTESA-N 0 3 307.482 2.217 10 30 DEEEHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCC(F)(F)F ZINC000285071045 403277867 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ZINC000185963423 402393474 /nfs/dbraw/zinc/39/34/74/402393474.db2.gz WMNODJGNOOAECU-AWEZNQCLSA-N 0 3 305.422 2.241 10 30 DEEEHN C#CCOc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000172114253 402640955 /nfs/dbraw/zinc/64/09/55/402640955.db2.gz WTKKPDJEJPWPFA-KRWDZBQOSA-N 0 3 322.412 2.247 10 30 DEEEHN C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000182832744 402720229 /nfs/dbraw/zinc/72/02/29/402720229.db2.gz QPEOYFAHFWDSHW-IRXDYDNUSA-N 0 3 319.449 2.306 10 30 DEEEHN CN1CCN([C@@H]2CCCCN(Cc3ccccc3C#N)C2)CC1 ZINC000174876682 402760764 /nfs/dbraw/zinc/76/07/64/402760764.db2.gz WMDBHYKAGHICHB-LJQANCHMSA-N 0 3 312.461 2.160 10 30 DEEEHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000278965811 402891604 /nfs/dbraw/zinc/89/16/04/402891604.db2.gz XATYIALFCQPLSK-HKUYNNGSSA-N 0 3 316.445 2.484 10 30 DEEEHN C#CCNC(=O)CCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000293811521 403569954 /nfs/dbraw/zinc/56/99/54/403569954.db2.gz OFDZTQLGBADJRZ-INIZCTEOSA-N 0 3 316.376 2.002 10 30 DEEEHN C=CCOCCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000346926191 403607270 /nfs/dbraw/zinc/60/72/70/403607270.db2.gz YJLRVGLDVMLXOD-QGZVFWFLSA-N 0 3 324.465 2.073 10 30 DEEEHN C=CCOc1ccc(CN[C@H]2CCOC[C@@H]2OCCOC)cc1 ZINC000362529825 403962541 /nfs/dbraw/zinc/96/25/41/403962541.db2.gz UEHTYOWRYNJXGC-ROUUACIJSA-N 0 3 321.417 2.162 10 30 DEEEHN C=CCOc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000347953006 403973951 /nfs/dbraw/zinc/97/39/51/403973951.db2.gz RDERSYNPJWWUCK-KRWDZBQOSA-N 0 3 300.402 2.418 10 30 DEEEHN C[C@](C#N)(NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1)C1CC1 ZINC000328930339 404176120 /nfs/dbraw/zinc/17/61/20/404176120.db2.gz YZQNUNXHLLSPKA-UHOFOFEASA-N 0 3 304.394 2.122 10 30 DEEEHN C=CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000344514308 404195984 /nfs/dbraw/zinc/19/59/84/404195984.db2.gz MKLKGGHAFQMQER-FRFSOERESA-N 0 3 300.402 2.350 10 30 DEEEHN C=CCn1c(CC(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000350729208 404452641 /nfs/dbraw/zinc/45/26/41/404452641.db2.gz IWIDVNCDDCXILJ-HNNXBMFYSA-N 0 3 303.454 2.336 10 30 DEEEHN C[C@@H]1CC(CNC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000329817497 404460006 /nfs/dbraw/zinc/46/00/06/404460006.db2.gz WRSMSZVINAUBCJ-MCIONIFRSA-N 0 3 320.437 2.153 10 30 DEEEHN C[C@@H]1CC(C[NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000329817497 404460016 /nfs/dbraw/zinc/46/00/16/404460016.db2.gz WRSMSZVINAUBCJ-MCIONIFRSA-N 0 3 320.437 2.153 10 30 DEEEHN C=CCOc1cccnc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000342446388 404582463 /nfs/dbraw/zinc/58/24/63/404582463.db2.gz RRSLVZWECRQZSS-AWEZNQCLSA-N 0 3 305.422 2.353 10 30 DEEEHN C=CCNC(=O)CN(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000360178236 404820537 /nfs/dbraw/zinc/82/05/37/404820537.db2.gz HFULQLYGCPDSKC-SJLPKXTDSA-N 0 3 315.461 2.446 10 30 DEEEHN C=C(C)[C@H](NCCCS(=O)(=O)NC)c1ccc(F)c(F)c1 ZINC000360622596 404832674 /nfs/dbraw/zinc/83/26/74/404832674.db2.gz XZZLSLGZUVEORH-AWEZNQCLSA-N 0 3 318.389 2.111 10 30 DEEEHN CCOC(=O)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC12COC2 ZINC000451145819 404878936 /nfs/dbraw/zinc/87/89/36/404878936.db2.gz ZIKIXZIWURCVKY-CZUORRHYSA-N 0 3 314.385 2.131 10 30 DEEEHN C[C@@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CCN1Cc1ccccc1 ZINC000452126114 405185370 /nfs/dbraw/zinc/18/53/70/405185370.db2.gz QJYPQQYGDBRVGG-RHSMWYFYSA-N 0 3 322.412 2.290 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCCC[C@H]1CC ZINC000425450515 405292618 /nfs/dbraw/zinc/29/26/18/405292618.db2.gz KRKABLPSBOXPLA-XHSDSOJGSA-N 0 3 309.454 2.141 10 30 DEEEHN Cn1c(C#N)ccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448604420 405426435 /nfs/dbraw/zinc/42/64/35/405426435.db2.gz HZAKBGGFAXRIIU-SFHVURJKSA-N 0 3 322.412 2.464 10 30 DEEEHN Cn1c(C#N)ccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000448809311 405450785 /nfs/dbraw/zinc/45/07/85/405450785.db2.gz ILAPDGXWXWVNCY-UHFFFAOYSA-N 0 3 314.433 2.235 10 30 DEEEHN C=C(C)C[C@@H]1NC(=O)N([C@H](C)CN(C)Cc2ccccc2)C1=O ZINC000630979596 405950421 /nfs/dbraw/zinc/95/04/21/405950421.db2.gz RESYIZNZMDWHDF-ZBFHGGJFSA-N 0 3 315.417 2.394 10 30 DEEEHN C=CCn1c(-c2cccnc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000562030133 405958474 /nfs/dbraw/zinc/95/84/74/405958474.db2.gz XBVVLCDRKDFUCI-INIZCTEOSA-N 0 3 324.432 2.199 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000637090727 406174327 /nfs/dbraw/zinc/17/43/27/406174327.db2.gz VRNMTSOWILCIRQ-JKSUJKDBSA-N 0 3 309.454 2.095 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000637322031 406257597 /nfs/dbraw/zinc/25/75/97/406257597.db2.gz OEGARDBBAAKBRI-OAHLLOKOSA-N 0 3 311.470 2.341 10 30 DEEEHN C=CCC[C@@H](CO)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637367119 406279233 /nfs/dbraw/zinc/27/92/33/406279233.db2.gz IOJCDFUEVCFRKB-GOEBONIOSA-N 0 3 309.454 2.020 10 30 DEEEHN N#Cc1cc(Br)ccc1N1CC[C@@H](NC2CC2)C1=O ZINC000133028307 196305924 /nfs/dbraw/zinc/30/59/24/196305924.db2.gz BCTSXASZJULBOZ-GFCCVEGCSA-N 0 3 320.190 2.178 10 30 DEEEHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000248565586 225238980 /nfs/dbraw/zinc/23/89/80/225238980.db2.gz NGAZYMVKLDYXOR-KBPBESRZSA-N 0 3 314.389 2.289 10 30 DEEEHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCOCC2)[C@H]1C ZINC000408203260 280102552 /nfs/dbraw/zinc/10/25/52/280102552.db2.gz KUTJMFGHDRNXAW-BFYDXBDKSA-N 0 3 321.465 2.320 10 30 DEEEHN C=CCNC(=O)CN1CCN(C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535782368 335768517 /nfs/dbraw/zinc/76/85/17/335768517.db2.gz XPYDPNDIRRRJBQ-INIZCTEOSA-N 0 3 307.482 2.123 10 30 DEEEHN C=C(C)CCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000352097201 336194755 /nfs/dbraw/zinc/19/47/55/336194755.db2.gz OXHYWOWQAXBVAV-UHFFFAOYSA-N 0 3 314.476 2.457 10 30 DEEEHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000342033883 526708579 /nfs/dbraw/zinc/70/85/79/526708579.db2.gz BUHSRAMXSSSAJM-BBWFWOEESA-N 0 3 307.482 2.073 10 30 DEEEHN C=CCOCCN(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000339137182 526769484 /nfs/dbraw/zinc/76/94/84/526769484.db2.gz AABAMQBECLKROC-WMZOPIPTSA-N 0 3 305.418 2.231 10 30 DEEEHN COC(=O)[C@H](C)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735310886 633501187 /nfs/dbraw/zinc/50/11/87/633501187.db2.gz FQUPNCVNBSMWPD-LLVKDONJSA-N 0 3 310.781 2.483 10 30 DEEEHN N#CC(C(=O)CCCOc1ccccc1F)C(=O)N1CCCC1 ZINC000125280717 633519002 /nfs/dbraw/zinc/51/90/02/633519002.db2.gz JSHPYPMLEHSGFN-CYBMUJFWSA-N 0 3 318.348 2.316 10 30 DEEEHN C#Cc1cccc(NC(=S)NC[C@H]2CCCN2CCOC)c1 ZINC000727703803 638256712 /nfs/dbraw/zinc/25/67/12/638256712.db2.gz WFRQVDHQSKLKKO-MRXNPFEDSA-N 0 3 317.458 2.065 10 30 DEEEHN C=CC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccncc1 ZINC000745828832 638293147 /nfs/dbraw/zinc/29/31/47/638293147.db2.gz WEIBVYQTFZQRTL-IRXDYDNUSA-N 0 3 312.417 2.355 10 30 DEEEHN COc1ccc(CNCc2ccccc2-n2cncn2)cc1C#N ZINC000746740920 638374488 /nfs/dbraw/zinc/37/44/88/638374488.db2.gz JDTXSUDWJASVJL-UHFFFAOYSA-N 0 3 319.368 2.437 10 30 DEEEHN Cc1cc([C@](C)(O)CNCc2cnc3ccc(C#N)cn23)c(C)o1 ZINC000174440330 646811137 /nfs/dbraw/zinc/81/11/37/646811137.db2.gz NWWHYRYAFJXPLA-GOSISDBHSA-N 0 3 324.384 2.413 10 30 DEEEHN C=CC[C@@H](N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000162193904 197551367 /nfs/dbraw/zinc/55/13/67/197551367.db2.gz RGBWROJAVLVGBA-ZWNOBZJWSA-N 0 3 311.223 2.400 10 30 DEEEHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000163099830 197611234 /nfs/dbraw/zinc/61/12/34/197611234.db2.gz NJJUWNZVAWZMIA-IOASZLSFSA-N 0 3 306.431 2.356 10 30 DEEEHN CCCc1nnsc1C(=O)Nc1ccc(C#CCN)cc1 ZINC000087456365 185225631 /nfs/dbraw/zinc/22/56/31/185225631.db2.gz MDTRSQDMYDAJBA-UHFFFAOYSA-N 0 3 300.387 2.053 10 30 DEEEHN Cc1c(C#CCN)cccc1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000088444060 185250954 /nfs/dbraw/zinc/25/09/54/185250954.db2.gz LYEQNZODNLFGRF-CHWSQXEVSA-N 0 3 302.443 2.271 10 30 DEEEHN C=CC[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000625704656 365876669 /nfs/dbraw/zinc/87/66/69/365876669.db2.gz ZMDHRUPINAEQEY-FUHWJXTLSA-N 0 3 315.461 2.304 10 30 DEEEHN C=CC[C@@H](CO)NCc1cc2c(c(Br)c1)OCO2 ZINC000184281032 539667766 /nfs/dbraw/zinc/66/77/66/539667766.db2.gz ITKZAMTZMCTTRZ-JTQLQIEISA-N 0 3 314.179 2.204 10 30 DEEEHN CN(C)c1cccc2c1C(=O)N(CCCn1ccnc1)C2C#N ZINC000071679336 191005732 /nfs/dbraw/zinc/00/57/32/191005732.db2.gz WLGPZJXKMZZVGG-OAHLLOKOSA-N 0 3 309.373 2.060 10 30 DEEEHN Cc1nnc2ccc(C(=O)N[C@H]3CCN(C4CCCC4)C3)cn12 ZINC000329003670 539913124 /nfs/dbraw/zinc/91/31/24/539913124.db2.gz LXRPNBJWTIPVCE-AWEZNQCLSA-N 0 3 313.405 2.359 10 30 DEEEHN Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3CC([N+](=O)[O-])[C@H]2C3)cc1 ZINC000004368277 181103040 /nfs/dbraw/zinc/10/30/40/181103040.db2.gz DBUTUPHCSIRUQR-ASEORRQLSA-N 0 3 311.359 2.144 10 30 DEEEHN C=CCN1CCC(NC(=O)NC[C@@](C)(O)CCC(C)C)CC1 ZINC000077823455 355231497 /nfs/dbraw/zinc/23/14/97/355231497.db2.gz LSQXZTXULVOJKT-KRWDZBQOSA-N 0 3 311.470 2.123 10 30 DEEEHN C=C[C@H](NC[C@@H]1CCCCN1Cc1ccccc1)C(=O)OC ZINC000379617801 356668435 /nfs/dbraw/zinc/66/84/35/356668435.db2.gz NOYFYMWMESRLOL-IRXDYDNUSA-N 0 3 302.418 2.358 10 30 DEEEHN N#Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ccn1 ZINC000588003207 357387282 /nfs/dbraw/zinc/38/72/82/357387282.db2.gz YURQYWFMLDJZFW-QGZVFWFLSA-N 0 3 300.406 2.034 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000627072322 366429978 /nfs/dbraw/zinc/42/99/78/366429978.db2.gz UXDUZFPISKOWOG-OAHLLOKOSA-N 0 3 302.422 2.169 10 30 DEEEHN C=CC[C@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000627072321 366429474 /nfs/dbraw/zinc/42/94/74/366429474.db2.gz UXDUZFPISKOWOG-HNNXBMFYSA-N 0 3 302.422 2.169 10 30 DEEEHN C=C(C)C[C@H](NC1CCN(c2ccncc2)CC1)C(=O)OC ZINC000602735362 360527133 /nfs/dbraw/zinc/52/71/33/360527133.db2.gz VWUNJSNGUCBHNY-INIZCTEOSA-N 0 3 303.406 2.148 10 30 DEEEHN CN(C)CCn1cc(Nc2c(C#N)nnc3ccccc32)cn1 ZINC000610130733 361362195 /nfs/dbraw/zinc/36/21/95/361362195.db2.gz BHYXQVAZYSEHOK-UHFFFAOYSA-N 0 3 307.361 2.003 10 30 DEEEHN C=CC(C)(C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000628316275 366808002 /nfs/dbraw/zinc/80/80/02/366808002.db2.gz PLAIPIACQGJGNN-IBGZPJMESA-N 0 3 316.445 2.342 10 30 DEEEHN CCNC(=O)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394738 361591223 /nfs/dbraw/zinc/59/12/23/361591223.db2.gz ZGHKAUXQIQJCGK-NVXWUHKLSA-N 0 3 312.417 2.329 10 30 DEEEHN C=CC[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628488165 366865135 /nfs/dbraw/zinc/86/51/35/366865135.db2.gz SWSPEUYWCFFRKM-MRXNPFEDSA-N 0 3 306.450 2.446 10 30 DEEEHN C=CC(C)(C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000624464405 365429671 /nfs/dbraw/zinc/42/96/71/365429671.db2.gz YKFMTKDPEHGBSA-OAHLLOKOSA-N 0 3 323.481 2.483 10 30 DEEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#CCO)cs1 ZINC000094441013 193369370 /nfs/dbraw/zinc/36/93/70/193369370.db2.gz PVYFUMJLNADQHP-GOEBONIOSA-N 0 3 304.459 2.151 10 30 DEEEHN C[C@H](NC[C@@H]1CCCN1CCCO)c1ccc(C#N)cc1F ZINC000453265752 245026806 /nfs/dbraw/zinc/02/68/06/245026806.db2.gz NVZIZZPSKTZRDP-ZFWWWQNUSA-N 0 3 305.397 2.195 10 30 DEEEHN C=CCN1CCC(NC(=O)NCCCC2CCOCC2)CC1 ZINC000454539111 245904015 /nfs/dbraw/zinc/90/40/15/245904015.db2.gz IYQRUDAKHIEECB-UHFFFAOYSA-N 0 3 309.454 2.143 10 30 DEEEHN C#CC[C@@H](N)C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000160192294 197391940 /nfs/dbraw/zinc/39/19/40/197391940.db2.gz QFYVIMHDZLQRME-UKRRQHHQSA-N 0 3 302.374 2.443 10 30 DEEEHN CCN[C@H](C)c1cccc(S(=O)(=O)N(CC)CCC#N)c1 ZINC000042451310 183272004 /nfs/dbraw/zinc/27/20/04/183272004.db2.gz RSSODTGDCKHYDL-CYBMUJFWSA-N 0 3 309.435 2.281 10 30 DEEEHN C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C#CCN)c1 ZINC000049587592 183744757 /nfs/dbraw/zinc/74/47/57/183744757.db2.gz GPUUZKZANFEMOK-LBPRGKRZSA-N 0 3 320.439 2.098 10 30 DEEEHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000120350512 195149635 /nfs/dbraw/zinc/14/96/35/195149635.db2.gz LQQUFRAYUSTHDD-GFCCVEGCSA-N 0 3 315.398 2.056 10 30 DEEEHN C=CCN1CCO[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@H]2C1 ZINC000503719953 257207268 /nfs/dbraw/zinc/20/72/68/257207268.db2.gz PPTYRGKPTLCNSA-RBUKOAKNSA-N 0 3 311.429 2.267 10 30 DEEEHN COc1cc(C#N)ccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000120976874 195275193 /nfs/dbraw/zinc/27/51/93/195275193.db2.gz FKCOQQPFHYCCCQ-HNNXBMFYSA-N 0 3 311.389 2.071 10 30 DEEEHN C[C@@H]1CN(C2CCN(Cc3ccc(C#N)s3)CC2)CCO1 ZINC000121775949 195345221 /nfs/dbraw/zinc/34/52/21/195345221.db2.gz 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307.419 2.448 10 30 DEEEHN C[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)O1 ZINC000132370213 401866166 /nfs/dbraw/zinc/86/61/66/401866166.db2.gz HTXQHSOXUGJFGN-WMLDXEAASA-N 0 3 315.417 2.016 10 30 DEEEHN C=C[C@@H](CC(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000135016411 401923894 /nfs/dbraw/zinc/92/38/94/401923894.db2.gz FOPNPBILRMPFEM-DOTOQJQBSA-N 0 3 302.418 2.135 10 30 DEEEHN C#CCCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000119590635 401960678 /nfs/dbraw/zinc/96/06/78/401960678.db2.gz RBRWCSZFZUBYML-QGZVFWFLSA-N 0 3 301.434 2.262 10 30 DEEEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000052594124 402044537 /nfs/dbraw/zinc/04/45/37/402044537.db2.gz FFCXWQQSMUSZAM-MRXNPFEDSA-N 0 3 300.406 2.184 10 30 DEEEHN C=CCc1cc(CN2CCCC[C@H]2CC(N)=O)cc(OC)c1O ZINC000092588571 402006689 /nfs/dbraw/zinc/00/66/89/402006689.db2.gz SGUBJGOIEICHOM-HNNXBMFYSA-N 0 3 318.417 2.359 10 30 DEEEHN C#CCOCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000123634138 402139280 /nfs/dbraw/zinc/13/92/80/402139280.db2.gz 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C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)ccn1)C(C)C ZINC000287453217 403602027 /nfs/dbraw/zinc/60/20/27/403602027.db2.gz GROOJIJXRVEGNR-KRWDZBQOSA-N 0 3 312.417 2.382 10 30 DEEEHN C#CCC(CC#C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000288347392 403746665 /nfs/dbraw/zinc/74/66/65/403746665.db2.gz GSGKLNWBLOOICE-UHFFFAOYSA-N 0 3 309.413 2.077 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](O)C1(C)C)C(C)C ZINC000361879195 403907919 /nfs/dbraw/zinc/90/79/19/403907919.db2.gz HSRBKGSOUVYZHD-HOTGVXAUSA-N 0 3 323.481 2.240 10 30 DEEEHN CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310193064 403965780 /nfs/dbraw/zinc/96/57/80/403965780.db2.gz ZDKAUELXWICRKK-KRWDZBQOSA-N 0 3 320.396 2.300 10 30 DEEEHN CN1CC[C@@H](CNC(=O)[C@H]2CCCOC2)[C@@H]1c1cccnc1 ZINC000328625069 404117186 /nfs/dbraw/zinc/11/71/86/404117186.db2.gz KJPLCYGJKBXNTF-JYJNAYRXSA-N 0 3 303.406 2.458 10 30 DEEEHN CN1CC[C@@H](CNC(=O)[C@@H]2CCCOC2)[C@@H]1c1cccnc1 ZINC000328625070 404117473 /nfs/dbraw/zinc/11/74/73/404117473.db2.gz 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/nfs/dbraw/zinc/20/52/64/405205264.db2.gz SXPXSDWQLJIEHD-UHFFFAOYSA-N 0 3 304.459 2.470 10 30 DEEEHN C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000448964492 405476822 /nfs/dbraw/zinc/47/68/22/405476822.db2.gz VPEHBKKCQMEGFZ-QGZVFWFLSA-N 0 3 314.429 2.489 10 30 DEEEHN C=CCOc1ccc(CN(CCO)[C@@H]2CCO[C@H]2C)cc1OC ZINC000449676319 405685875 /nfs/dbraw/zinc/68/58/75/405685875.db2.gz GIPDRKZFZPIJMJ-GOEBONIOSA-N 0 3 321.417 2.232 10 30 DEEEHN C=CCOc1ccccc1CNC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000575754367 406826702 /nfs/dbraw/zinc/82/67/02/406826702.db2.gz UXAYMQHRCRZLGG-AWEZNQCLSA-N 0 3 300.402 2.352 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000576935362 406834063 /nfs/dbraw/zinc/83/40/63/406834063.db2.gz IVMDOUJNFDAFDA-HRCADAONSA-N 0 3 302.418 2.420 10 30 DEEEHN C#CC[C@@H](CC)NS(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000131275915 196156134 /nfs/dbraw/zinc/15/61/34/196156134.db2.gz ZXWHKFTVWWQTFC-CQSZACIVSA-N 0 3 306.431 2.019 10 30 DEEEHN N#CC1CCC(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000374246605 227129644 /nfs/dbraw/zinc/12/96/44/227129644.db2.gz ZIXNOHHMUFOAML-UYSNPLJNSA-N 0 3 304.438 2.196 10 30 DEEEHN CCN1CCC[C@@H](NC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000328731590 424901652 /nfs/dbraw/zinc/90/16/52/424901652.db2.gz WZHZRPJCZLHTQU-OAHLLOKOSA-N 0 3 302.422 2.692 10 30 DEEEHN CN1CCC[C@@H](CNc2cc(C#N)ncn2)[C@@H]1c1cccs1 ZINC000584328950 424989422 /nfs/dbraw/zinc/98/94/22/424989422.db2.gz YVBPLSLQLOFKKP-BLLLJJGKSA-N 0 3 313.430 2.905 10 30 DEEEHN CN1CCC[C@H](CNc2cc(C#N)ncn2)[C@@H]1c1cccs1 ZINC000584328952 424989656 /nfs/dbraw/zinc/98/96/56/424989656.db2.gz YVBPLSLQLOFKKP-MLGOLLRUSA-N 0 3 313.430 2.905 10 30 DEEEHN Cc1ccc(C[C@H](CO)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000188989240 267686636 /nfs/dbraw/zinc/68/66/36/267686636.db2.gz NHYSZUCDAFJCEC-QGZVFWFLSA-N 0 3 320.396 2.208 10 30 DEEEHN N#Cc1cccc(OCCCN2CCSC[C@@H]2CCO)c1 ZINC000357317899 268273404 /nfs/dbraw/zinc/27/34/04/268273404.db2.gz QYDFAUBCYMFSTM-HNNXBMFYSA-N 0 3 306.431 2.127 10 30 DEEEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000175336814 279327083 /nfs/dbraw/zinc/32/70/83/279327083.db2.gz RDUUMNWSYCTBOU-INIZCTEOSA-N 0 3 320.481 2.087 10 30 DEEEHN C=CCCCCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000565177474 341047136 /nfs/dbraw/zinc/04/71/36/341047136.db2.gz CWGMVCOAHPJMQR-INIZCTEOSA-N 0 3 310.486 2.058 10 30 DEEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OC(F)F)C2)CC1 ZINC000549470380 341295317 /nfs/dbraw/zinc/29/53/17/341295317.db2.gz FYTZGJIKDVERIT-ZDUSSCGKSA-N 0 3 317.380 2.050 10 30 DEEEHN C=CC[C@@H](CO)NCc1ccc(Br)cc1OC ZINC000184288166 527101501 /nfs/dbraw/zinc/10/15/01/527101501.db2.gz XBGQKADSUGJJQI-LBPRGKRZSA-N 0 3 300.196 2.484 10 30 DEEEHN CC(=O)[C@](C)(O)CN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000331349045 527152217 /nfs/dbraw/zinc/15/22/17/527152217.db2.gz XNDNCFKVZAFXKV-GOSISDBHSA-N 0 3 318.417 2.104 10 30 DEEEHN C=CC[C@H](CO)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418363062 527196004 /nfs/dbraw/zinc/19/60/04/527196004.db2.gz VQCLLIRLBIPVSP-CVEARBPZSA-N 0 3 305.422 2.046 10 30 DEEEHN CCc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129148594 644725419 /nfs/dbraw/zinc/72/54/19/644725419.db2.gz MODJFPYATYHMMQ-HNNXBMFYSA-N 0 3 312.369 2.199 10 30 DEEEHN C[C@@H](CCOc1ccccc1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173967538 646784586 /nfs/dbraw/zinc/78/45/86/646784586.db2.gz AYIDTOFDMBUIBQ-GOEBONIOSA-N 0 3 314.385 2.423 10 30 DEEEHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)C[C@H]1CCCO1 ZINC000131186612 684197543 /nfs/dbraw/zinc/19/75/43/684197543.db2.gz JVILKJTYAJBGIG-MRXNPFEDSA-N 0 3 311.389 2.194 10 30 DEEEHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000133376789 684219421 /nfs/dbraw/zinc/21/94/21/684219421.db2.gz IAVZREMJBNKRRO-CBAPKCEASA-N 0 3 315.156 2.216 10 30 DEEEHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000746927405 786550080 /nfs/dbraw/zinc/55/00/80/786550080.db2.gz VKHKVTGVIILOET-OAHLLOKOSA-N 0 3 301.390 2.057 10 30 DEEEHN Cc1nc(C(=O)Nc2sc3c(c2C#N)CCNC3)cs1 ZINC000087428876 185224573 /nfs/dbraw/zinc/22/45/73/185224573.db2.gz 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C[C@H](C#N)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000182617340 356133393 /nfs/dbraw/zinc/13/33/93/356133393.db2.gz DOUCHLALLUWYFK-WBVHZDCISA-N 0 3 314.433 2.500 10 30 DEEEHN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC)CCN ZINC000626853410 366346366 /nfs/dbraw/zinc/34/63/66/366346366.db2.gz ZIUBPYQCGBMVEL-UHFFFAOYSA-N 0 3 317.433 2.284 10 30 DEEEHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000594426598 358266245 /nfs/dbraw/zinc/26/62/45/358266245.db2.gz FOPMFVPCXYLEBT-CYBMUJFWSA-N 0 3 324.222 2.477 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN1CCC(CCC(=O)OCC)CC1 ZINC000610997221 361508241 /nfs/dbraw/zinc/50/82/41/361508241.db2.gz PVVXHAXIKHBITL-UHFFFAOYSA-N 0 3 324.465 2.466 10 30 DEEEHN NCC#Cc1cc(C(=O)NCc2ccc(F)c(F)c2)cs1 ZINC000093976120 193332783 /nfs/dbraw/zinc/33/27/83/193332783.db2.gz COZUILVKOVNVQF-UHFFFAOYSA-N 0 3 306.337 2.267 10 30 DEEEHN NCC#Cc1cc(C(=O)NCc2ccc(F)cc2F)cs1 ZINC000093976352 193333401 /nfs/dbraw/zinc/33/34/01/193333401.db2.gz RHSBPSYICHMJDP-UHFFFAOYSA-N 0 3 306.337 2.267 10 30 DEEEHN Cc1csc(CCNC(=O)c2cc(C)c(C#CCN)s2)n1 ZINC000094536786 193377869 /nfs/dbraw/zinc/37/78/69/193377869.db2.gz RULRMZKYFSVIPX-UHFFFAOYSA-N 0 3 319.455 2.104 10 30 DEEEHN Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)sc1C#CCN ZINC000094536666 193378323 /nfs/dbraw/zinc/37/83/23/193378323.db2.gz RWYXYAFHEDHBBT-LBPRGKRZSA-N 0 3 306.431 2.006 10 30 DEEEHN C=CC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000160070263 197383667 /nfs/dbraw/zinc/38/36/67/197383667.db2.gz KAZJBRBGWJQERD-QMMMGPOBSA-N 0 3 303.240 2.456 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)c1ccc(F)cc1 ZINC000042364886 183258897 /nfs/dbraw/zinc/25/88/97/183258897.db2.gz GKLOAAMSNUAMEG-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN C[C@H](N(C)S(=O)(=O)c1cccc(C#CCN)c1)C(C)(C)C ZINC000042830775 183312994 /nfs/dbraw/zinc/31/29/94/183312994.db2.gz YQOHIJGDFXDNEI-ZDUSSCGKSA-N 0 3 308.447 2.052 10 30 DEEEHN OCCC#Cc1csc(CN2CC[C@H](N3CCCC3)C2)c1 ZINC000062967938 184263608 /nfs/dbraw/zinc/26/36/08/184263608.db2.gz OZLGWJUUDBEFGW-INIZCTEOSA-N 0 3 304.459 2.152 10 30 DEEEHN CC[C@@H]1CN(CCOc2cccc(C#CCO)c2)CCS1 ZINC000158029629 197236967 /nfs/dbraw/zinc/23/69/67/197236967.db2.gz JAEJFDRWXKVWBO-QGZVFWFLSA-N 0 3 305.443 2.237 10 30 DEEEHN CC[C@@H]1CN(C(=O)c2ccc(C#CCN)cc2F)CCS1 ZINC000157976891 197232037 /nfs/dbraw/zinc/23/20/37/197232037.db2.gz CLKQIHQJENIGGR-CYBMUJFWSA-N 0 3 306.406 2.104 10 30 DEEEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000118793939 401908130 /nfs/dbraw/zinc/90/81/30/401908130.db2.gz ZCQMABFQHLWFSY-ZDUSSCGKSA-N 0 3 322.796 2.006 10 30 DEEEHN C=CCCCN(C)[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000121075526 402014159 /nfs/dbraw/zinc/01/41/59/402014159.db2.gz LHJVZXJPOZIMIH-HUUCEWRRSA-N 0 3 310.438 2.075 10 30 DEEEHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000050273653 402026777 /nfs/dbraw/zinc/02/67/77/402026777.db2.gz KRVPIHGDIHVSGP-HNNXBMFYSA-N 0 3 321.808 2.393 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCOC1)C(C)C ZINC000106533193 402214176 /nfs/dbraw/zinc/21/41/76/402214176.db2.gz YYEASBWVTNFEOE-CVEARBPZSA-N 0 3 309.454 2.115 10 30 DEEEHN C=C(C)CN1CCC(NCc2cnn(-c3ccccc3)n2)CC1 ZINC000106245894 402212753 /nfs/dbraw/zinc/21/27/53/402212753.db2.gz NQGGCCJLAXPAKB-UHFFFAOYSA-N 0 3 311.433 2.397 10 30 DEEEHN C=CCOc1cc(OC)ccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000185045326 402320174 /nfs/dbraw/zinc/32/01/74/402320174.db2.gz BWKFTSXJOYOZFX-AWEZNQCLSA-N 0 3 316.401 2.180 10 30 DEEEHN CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCN1CCOC ZINC000186207941 402410853 /nfs/dbraw/zinc/41/08/53/402410853.db2.gz DGMUWCKXRKPUGC-SFHVURJKSA-N 0 3 301.434 2.409 10 30 DEEEHN C[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H](c1ccccc1)N(C)C ZINC000185939314 402391228 /nfs/dbraw/zinc/39/12/28/402391228.db2.gz HQRHESTYDIDZEG-DYVFJYSZSA-N 0 3 310.401 2.318 10 30 DEEEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319269 402756136 /nfs/dbraw/zinc/75/61/36/402756136.db2.gz UEXCINSUUFSWIF-WDEREUQCSA-N 0 3 301.419 2.439 10 30 DEEEHN C[C@@H]1C[C@H](NC(=O)c2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000193513577 402771659 /nfs/dbraw/zinc/77/16/59/402771659.db2.gz XKOTULFZVJADHK-KDOFPFPSSA-N 0 3 320.396 2.346 10 30 DEEEHN N#Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000194357359 402793704 /nfs/dbraw/zinc/79/37/04/402793704.db2.gz QENDABURVQQWRI-MRXNPFEDSA-N 0 3 320.396 2.205 10 30 DEEEHN C=CC[C@@H](CO)NCc1cnc2c(C)cc(Br)cn12 ZINC000273483697 403008403 /nfs/dbraw/zinc/00/84/03/403008403.db2.gz LSWAQAHCKDOINA-LBPRGKRZSA-N 0 3 324.222 2.432 10 30 DEEEHN C=CCOCCN[C@](C)(CO)c1ccc(Br)cc1 ZINC000293658522 403530968 /nfs/dbraw/zinc/53/09/68/403530968.db2.gz TUMKBRMTYTVFNZ-CQSZACIVSA-N 0 3 314.223 2.449 10 30 DEEEHN C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000343869283 403769333 /nfs/dbraw/zinc/76/93/33/403769333.db2.gz TWQQUHYSQBSONA-LPHOPBHVSA-N 0 3 316.445 2.342 10 30 DEEEHN C=CCC[C@@H](O)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000305085756 403824400 /nfs/dbraw/zinc/82/44/00/403824400.db2.gz NWKPJRAVAGASFT-QGZVFWFLSA-N 0 3 308.466 2.474 10 30 DEEEHN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)CN1CCN(C)CC1 ZINC000328850154 404162076 /nfs/dbraw/zinc/16/20/76/404162076.db2.gz WKHZMZHUKNRESJ-CABCVRRESA-N 0 3 324.469 2.116 10 30 DEEEHN C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000355928431 404378659 /nfs/dbraw/zinc/37/86/59/404378659.db2.gz ATDCGYVLNSXYPK-MOPGFXCFSA-N 0 3 316.445 2.484 10 30 DEEEHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H](C2CC2)C1 ZINC000329680519 404420608 /nfs/dbraw/zinc/42/06/08/404420608.db2.gz XWAYDYYQSNIUME-TZMCWYRMSA-N 0 3 307.438 2.074 10 30 DEEEHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330226880 404594145 /nfs/dbraw/zinc/59/41/45/404594145.db2.gz URCUKYNMDFTVEP-IIAWOOMASA-N 0 3 320.437 2.329 10 30 DEEEHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451343811 404962117 /nfs/dbraw/zinc/96/21/17/404962117.db2.gz PZZDZUTVIGVIRG-GVDBMIGSSA-N 0 3 306.450 2.203 10 30 DEEEHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCCC[C@@H]1C ZINC000435745908 405010316 /nfs/dbraw/zinc/01/03/16/405010316.db2.gz RIEBMGUSHRHZBQ-XHSDSOJGSA-N 0 3 309.454 2.141 10 30 DEEEHN Cc1cc(C#N)nc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1 ZINC000367464724 405059003 /nfs/dbraw/zinc/05/90/03/405059003.db2.gz IZOYGBDBRUHVHA-KRWDZBQOSA-N 0 3 307.401 2.367 10 30 DEEEHN C=CC(C)(C)CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000455381798 405403440 /nfs/dbraw/zinc/40/34/40/405403440.db2.gz IBJIXKRBTYMFGY-UHFFFAOYSA-N 0 3 318.421 2.134 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527986921 405469967 /nfs/dbraw/zinc/46/99/67/405469967.db2.gz NJPPTOMLZGDTDI-OAGGEKHMSA-N 0 3 307.438 2.036 10 30 DEEEHN C=CCOc1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 ZINC000449367172 405527498 /nfs/dbraw/zinc/52/74/98/405527498.db2.gz ZUGXJPDMKQUGFQ-MSOLQXFVSA-N 0 3 302.418 2.156 10 30 DEEEHN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)CN1Cc1ccccc1 ZINC000450107412 405742974 /nfs/dbraw/zinc/74/29/74/405742974.db2.gz QTNDYAYVCIWKDB-ZBFHGGJFSA-N 0 3 322.412 2.290 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000632563588 406183515 /nfs/dbraw/zinc/18/35/15/406183515.db2.gz XAOKKBYYOFMMNC-HUUCEWRRSA-N 0 3 323.481 2.036 10 30 DEEEHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCN(C)c1ccncc1 ZINC000519579521 406214667 /nfs/dbraw/zinc/21/46/67/406214667.db2.gz DLCOCCXUOWGLBD-RHSMWYFYSA-N 0 3 303.406 2.005 10 30 DEEEHN C=CCOc1ccc(CNC[C@@H](O)C[C@](C)(O)C2CC2)cc1 ZINC000634714287 406241476 /nfs/dbraw/zinc/24/14/76/406241476.db2.gz JCSDMCKNKCLETO-WMZOPIPTSA-N 0 3 305.418 2.253 10 30 DEEEHN CN(C)[C@H](CNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000536021689 406248535 /nfs/dbraw/zinc/24/85/35/406248535.db2.gz JSGPYFDPZIYGFX-IBGZPJMESA-N 0 3 321.424 2.390 10 30 DEEEHN C=CCCC(C)(C)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000633078934 406373358 /nfs/dbraw/zinc/37/33/58/406373358.db2.gz QBKQZCHUHVWLQB-MRXNPFEDSA-N 0 3 324.513 2.162 10 30 DEEEHN C=CCN(CC=C)[C@H](CNC(=O)c1oc(CN)cc1C)C(C)C ZINC000638067757 406553574 /nfs/dbraw/zinc/55/35/74/406553574.db2.gz FEJVOJXGIWPMGZ-MRXNPFEDSA-N 0 3 319.449 2.475 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(C)C ZINC000635559634 406590545 /nfs/dbraw/zinc/59/05/45/406590545.db2.gz GVMLTNMFMFHEIX-INMHGKMJSA-N 0 3 316.449 2.328 10 30 DEEEHN C=CCn1ncc(NCCN2CCCCCC2)c(Cl)c1=O ZINC000134184593 196368277 /nfs/dbraw/zinc/36/82/77/196368277.db2.gz KEBBBZCQFUXSRG-UHFFFAOYSA-N 0 3 310.829 2.371 10 30 DEEEHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000333261847 226104067 /nfs/dbraw/zinc/10/40/67/226104067.db2.gz UPYLCQCKFWBCEN-DZKIICNBSA-N 0 3 304.438 2.385 10 30 DEEEHN CCc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)N(C)C)cc1 ZINC000439134183 425036680 /nfs/dbraw/zinc/03/66/80/425036680.db2.gz UMDUDVAKNXKHFV-QGZVFWFLSA-N 0 3 309.417 2.934 10 30 DEEEHN N#Cc1cccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000531386106 268277847 /nfs/dbraw/zinc/27/78/47/268277847.db2.gz JOHKKTHMARRBGL-IBGZPJMESA-N 0 3 319.408 2.491 10 30 DEEEHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284351912 276858888 /nfs/dbraw/zinc/85/88/88/276858888.db2.gz SDPYSZACEKABAL-IEBWSBKVSA-N 0 3 315.461 2.446 10 30 DEEEHN C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN(C2CC2)C1 ZINC000334096333 300157189 /nfs/dbraw/zinc/15/71/89/300157189.db2.gz SEMCADVZWOFRIX-ILXRZTDVSA-N 0 3 304.438 2.194 10 30 DEEEHN C[C@@H]1CCCN(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000188134524 333037650 /nfs/dbraw/zinc/03/76/50/333037650.db2.gz NVZRSYUVUFNRLO-OAHLLOKOSA-N 0 3 311.429 2.438 10 30 DEEEHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000563507344 333615510 /nfs/dbraw/zinc/61/55/10/333615510.db2.gz XMPZIWHICLJWHZ-HIFRSBDPSA-N 0 3 319.380 2.327 10 30 DEEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(OC)cc(OC)cc1OC ZINC000424167796 337790548 /nfs/dbraw/zinc/79/05/48/337790548.db2.gz FGYBPPQLEZXMAO-WFASDCNBSA-N 0 3 307.390 2.393 10 30 DEEEHN C=CCN(Cc1cccs1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338264200 526377144 /nfs/dbraw/zinc/37/71/44/526377144.db2.gz PXTYVLODUUJFHS-CYBMUJFWSA-N 0 3 314.476 2.018 10 30 DEEEHN C=CCN1CCC(NC(=O)NCC2CCC(OC)CC2)CC1 ZINC000428360306 526431682 /nfs/dbraw/zinc/43/16/82/526431682.db2.gz CPNJUZMMCWNYOU-UHFFFAOYSA-N 0 3 309.454 2.141 10 30 DEEEHN C=CCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190676193 526584409 /nfs/dbraw/zinc/58/44/09/526584409.db2.gz LEKRHENVWWHCKO-CYBMUJFWSA-N 0 3 308.451 2.101 10 30 DEEEHN C#CCC(CC#C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000376642345 526673228 /nfs/dbraw/zinc/67/32/28/526673228.db2.gz BDPFJRCXLCADQJ-LJQANCHMSA-N 0 3 308.425 2.430 10 30 DEEEHN C#CCN1CCC(C(=O)N[C@H]2CCCc3nc(C)sc32)CC1 ZINC000367988995 526930858 /nfs/dbraw/zinc/93/08/58/526930858.db2.gz OWAFMJNRFZRRQT-HNNXBMFYSA-N 0 3 317.458 2.290 10 30 DEEEHN C=CCN(CC=C)C(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246515943 527612181 /nfs/dbraw/zinc/61/21/81/527612181.db2.gz IMTSUPOTDXSFNU-WMZOPIPTSA-N 0 3 317.477 2.136 10 30 DEEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000249073455 535256885 /nfs/dbraw/zinc/25/68/85/535256885.db2.gz MMFMRRUTAHBZMA-RHSMWYFYSA-N 0 3 311.429 2.435 10 30 DEEEHN Cc1cc([C@@](C)(O)CNCc2cnc3ccc(C#N)cn23)c(C)o1 ZINC000174440343 646811276 /nfs/dbraw/zinc/81/12/76/646811276.db2.gz 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DEEEHN CC[C@H]1CN(C(=O)c2cc(C#CCN)ccc2C)CCS1 ZINC000157979072 197232287 /nfs/dbraw/zinc/23/22/87/197232287.db2.gz NIOSTHBHGBXEPF-HNNXBMFYSA-N 0 3 302.443 2.273 10 30 DEEEHN NCC#Cc1ccc(C(=O)NC[C@H]2CCCCS2)cc1F ZINC000156566561 197123867 /nfs/dbraw/zinc/12/38/67/197123867.db2.gz ZVJHUTRZZPAMQA-CQSZACIVSA-N 0 3 306.406 2.151 10 30 DEEEHN C#CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155559088 197066760 /nfs/dbraw/zinc/06/67/60/197066760.db2.gz ZJTMDCZATBMJDT-YOEHRIQHSA-N 0 3 300.402 2.157 10 30 DEEEHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155320677 197043504 /nfs/dbraw/zinc/04/35/04/197043504.db2.gz YBGNVWKCFHZBRU-YCPHGPKFSA-N 0 3 300.402 2.011 10 30 DEEEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245471254 285241767 /nfs/dbraw/zinc/24/17/67/285241767.db2.gz NTWMZFBSWWQVDN-HZPDHXFCSA-N 0 3 320.481 2.134 10 30 DEEEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328839036 285262094 /nfs/dbraw/zinc/26/20/94/285262094.db2.gz 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C=CCCC[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091591082 355601303 /nfs/dbraw/zinc/60/13/03/355601303.db2.gz GGAXXHRWSGFXAL-SJORKVTESA-N 0 3 307.482 2.360 10 30 DEEEHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593373093 358063666 /nfs/dbraw/zinc/06/36/66/358063666.db2.gz AFLPCDBDPKBQGZ-PXAZEXFGSA-N 0 3 310.401 2.066 10 30 DEEEHN Cc1cnn(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180175693 199126858 /nfs/dbraw/zinc/12/68/58/199126858.db2.gz PXFDSPWIZGSDFG-UHFFFAOYSA-N 0 3 320.400 2.254 10 30 DEEEHN C=C(C)CN1CCC(NCc2cccc(C(=O)OCC)n2)CC1 ZINC000600135160 359658208 /nfs/dbraw/zinc/65/82/08/359658208.db2.gz UONPWZIVAVRZCC-UHFFFAOYSA-N 0 3 317.433 2.388 10 30 DEEEHN C=CCNC(=O)CN1CCN(C[C@@H]2CCCC[C@H]2CC)CC1 ZINC000628125489 366729917 /nfs/dbraw/zinc/72/99/17/366729917.db2.gz BOLBNTBKCZGFKU-SJORKVTESA-N 0 3 307.482 2.123 10 30 DEEEHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1cncnc1)C(C)C ZINC000629947945 367389408 /nfs/dbraw/zinc/38/94/08/367389408.db2.gz YXIHTCZOVPNZRI-WBVHZDCISA-N 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FWPDQWJFIDYXDU-UHFFFAOYSA-N 0 3 305.428 2.095 10 30 DEEEHN NCC#Cc1ccc(C(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000042797963 183310483 /nfs/dbraw/zinc/31/04/83/183310483.db2.gz ZRENBHNORVXXGX-UHFFFAOYSA-N 0 3 302.321 2.225 10 30 DEEEHN CC(C)(C)N1CCN(Cc2ccc(C#CCCO)s2)CC1 ZINC000043678476 183378972 /nfs/dbraw/zinc/37/89/72/183378972.db2.gz USJVVZLIANAKSL-UHFFFAOYSA-N 0 3 306.475 2.398 10 30 DEEEHN C=CCN(CC=C)C(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000105896364 194161796 /nfs/dbraw/zinc/16/17/96/194161796.db2.gz BTRIRFGFLKWLJZ-INIZCTEOSA-N 0 3 316.449 2.283 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000285023516 218260841 /nfs/dbraw/zinc/26/08/41/218260841.db2.gz ZGHNTXGQFWJHME-SZMVWBNQSA-N 0 3 318.392 2.449 10 30 DEEEHN CC(C)N1C[C@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1 ZINC000158985695 197315624 /nfs/dbraw/zinc/31/56/24/197315624.db2.gz RWHSLQAFAOAYEX-ZFWWWQNUSA-N 0 3 301.390 2.047 10 30 DEEEHN NCC#Cc1ccc(C(=O)NC[C@@H]2CCCCS2)c(F)c1 ZINC000156566675 197123290 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C=CCCCN(C)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000076801683 401799846 /nfs/dbraw/zinc/79/98/46/401799846.db2.gz HLUXMCUUOIYIKR-CQSZACIVSA-N 0 3 303.406 2.299 10 30 DEEEHN Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000081538407 401896686 /nfs/dbraw/zinc/89/66/86/401896686.db2.gz MRHBAAUAGDXZMV-QGZVFWFLSA-N 0 3 322.412 2.291 10 30 DEEEHN CSCCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000229245654 402341221 /nfs/dbraw/zinc/34/12/21/402341221.db2.gz YMQQBVPQLMRQGA-UHFFFAOYSA-N 0 3 312.460 2.065 10 30 DEEEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000177694707 402427469 /nfs/dbraw/zinc/42/74/69/402427469.db2.gz RHEMUYZULGVPSQ-AWEZNQCLSA-N 0 3 318.421 2.123 10 30 DEEEHN C=CCc1cc(CN[C@@](C)(CCO)COC)cc(OC)c1O ZINC000175852847 402837853 /nfs/dbraw/zinc/83/78/53/402837853.db2.gz UAKFAVDANGDCHY-KRWDZBQOSA-N 0 3 309.406 2.006 10 30 DEEEHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000288249745 403743092 /nfs/dbraw/zinc/74/30/92/403743092.db2.gz STMOBKPPOAJECV-MOPGFXCFSA-N 0 3 323.440 2.277 10 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CC(=O)N1CC[C@H](NC[C@@H](O)CC2(C#N)CC2)c2ccccc21 ZINC000600733499 359814537 /nfs/dbraw/zinc/81/45/37/359814537.db2.gz ZNLCVFXQENJBIR-HOCLYGCPSA-N 0 3 313.401 2.129 10 30 DEEEHN C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000601270199 359988415 /nfs/dbraw/zinc/98/84/15/359988415.db2.gz LYQNAXRZUNTLSN-HNNXBMFYSA-N 0 3 303.406 2.145 10 30 DEEEHN CN(Cc1cccc(F)c1)C(=O)c1csc(C#CCN)c1 ZINC000093975861 193332700 /nfs/dbraw/zinc/33/27/00/193332700.db2.gz RYKHRLHJIICEHZ-UHFFFAOYSA-N 0 3 302.374 2.470 10 30 DEEEHN COc1ccc(NC(=O)c2cc(C)c(C#CCN)s2)cn1 ZINC000094535997 193377735 /nfs/dbraw/zinc/37/77/35/193377735.db2.gz UAZNAMZGONTLJR-UHFFFAOYSA-N 0 3 301.371 2.023 10 30 DEEEHN C[C@@H](CN(C)Cc1ccc(Br)cc1)/C(N)=N/O ZINC000042307715 183252350 /nfs/dbraw/zinc/25/23/50/183252350.db2.gz GPSCDEXRFNZJKU-VIFPVBQESA-N 0 3 300.200 2.263 10 30 DEEEHN C[C@H](N)[C@@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259197 183349131 /nfs/dbraw/zinc/34/91/31/183349131.db2.gz ZRQOYUKDMVDTRH-KWQFWETISA-N 0 3 313.224 2.248 10 30 DEEEHN C[C@@H](N)[C@@H](c1ccc(Br)s1)N(CC#N)CC#N ZINC000043259200 183349265 /nfs/dbraw/zinc/34/92/65/183349265.db2.gz ZRQOYUKDMVDTRH-KCJUWKMLSA-N 0 3 313.224 2.248 10 30 DEEEHN C[C@H](N)[C@@H](c1cc(Br)cs1)N(CC#N)CC#N ZINC000043284872 183350832 /nfs/dbraw/zinc/35/08/32/183350832.db2.gz ORWXDNOZFZZNAZ-KWQFWETISA-N 0 3 313.224 2.248 10 30 DEEEHN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000285023506 218261342 /nfs/dbraw/zinc/26/13/42/218261342.db2.gz ZGHNTXGQFWJHME-JQHSSLGASA-N 0 3 318.392 2.449 10 30 DEEEHN CCOCCN1CCN(Cc2ccccc2C#N)C[C@@H]1CC ZINC000106118599 194186848 /nfs/dbraw/zinc/18/68/48/194186848.db2.gz RCXZQYYSBSVXQX-SFHVURJKSA-N 0 3 301.434 2.491 10 30 DEEEHN Cc1nccn1C[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000156645758 197129696 /nfs/dbraw/zinc/12/96/96/197129696.db2.gz PJMLUGDGSUJXLF-ROUUACIJSA-N 0 3 310.401 2.261 10 30 DEEEHN CN(Cc1csc(C#CCN)c1)C(=O)[C@H]1CCCCS1 ZINC000156281523 197101211 /nfs/dbraw/zinc/10/12/11/197101211.db2.gz JEIMSBCDULIUMN-CQSZACIVSA-N 0 3 308.472 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