smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000000010230 166353696 /nfs/dbraw/zinc/35/36/96/166353696.db2.gz OVABAYQHBLZQMC-UHFFFAOYSA-N 0 3 217.287 3.101 20 30 BGEDHN C=CCN1CCC(c2ccccc2)CC1 ZINC000005157756 355355337 /nfs/dbraw/zinc/35/53/37/355355337.db2.gz OUFMCICDHOAJBL-UHFFFAOYSA-N 0 3 201.313 3.052 20 30 BGEDHN C=CCc1ccccc1OCCN1CCCCC1 ZINC000005631318 386816094 /nfs/dbraw/zinc/81/60/94/386816094.db2.gz QVGWEQDAIKJZLJ-UHFFFAOYSA-N 0 3 245.366 3.280 20 30 BGEDHN C=C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000005721779 188337244 /nfs/dbraw/zinc/33/72/44/188337244.db2.gz VYKOTVFBBQUARK-ZDUSSCGKSA-N 0 3 201.313 3.400 20 30 BGEDHN C=C1CCN([C@H](C)c2ccccc2)CC1 ZINC000005723138 346626871 /nfs/dbraw/zinc/62/68/71/346626871.db2.gz VYKOTVFBBQUARK-CYBMUJFWSA-N 0 3 201.313 3.400 20 30 BGEDHN CC(C)N(CCCC#N)Cc1ccccc1 ZINC000019430419 188073903 /nfs/dbraw/zinc/07/39/03/188073903.db2.gz SIIMYHKYVWAIBH-UHFFFAOYSA-N 0 3 216.328 3.201 20 30 BGEDHN CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000019434669 386118219 /nfs/dbraw/zinc/11/82/19/386118219.db2.gz PRAWRQNMFRXVGW-UHFFFAOYSA-N 0 3 236.318 3.190 20 30 BGEDHN CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000019438632 387035333 /nfs/dbraw/zinc/03/53/33/387035333.db2.gz JXOZWCPFYHONDX-UHFFFAOYSA-N 0 3 236.318 3.190 20 30 BGEDHN N#Cc1ccc(CN2CCCCCC2)c(F)c1 ZINC000019802081 388747568 /nfs/dbraw/zinc/74/75/68/388747568.db2.gz GFDITDOBIWKGKN-UHFFFAOYSA-N 0 3 232.302 3.073 20 30 BGEDHN CCCN(CCC)Cc1ccccc1C#N ZINC000019804674 169148931 /nfs/dbraw/zinc/14/89/31/169148931.db2.gz QYVACHOZXOFQPT-UHFFFAOYSA-N 0 3 216.328 3.180 20 30 BGEDHN CCCN(CCC)Cc1ccc(C#N)cc1F ZINC000019804676 169148306 /nfs/dbraw/zinc/14/83/06/169148306.db2.gz PJRAKPQZVKHHDF-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCCN(CCC)Cc1cc(C#N)ccc1F ZINC000019804678 169148650 /nfs/dbraw/zinc/14/86/50/169148650.db2.gz IEJOXMAVLYPAHC-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCCCN(CC)Cc1ccccc1C#N ZINC000019804695 386615122 /nfs/dbraw/zinc/61/51/22/386615122.db2.gz QNNGBAQMFMHYMX-UHFFFAOYSA-N 0 3 216.328 3.180 20 30 BGEDHN CCCCN(CC)Cc1ccc(C#N)cc1F ZINC000019804696 371189774 /nfs/dbraw/zinc/18/97/74/371189774.db2.gz FSMIWNRNXBLLHZ-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCCCN(CC)Cc1cc(C#N)ccc1F ZINC000019804697 371190200 /nfs/dbraw/zinc/19/02/00/371190200.db2.gz AVLWTNPLNDPYJO-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CN(Cc1ccccc1C#N)C1CCCCC1 ZINC000019804707 388748323 /nfs/dbraw/zinc/74/83/23/388748323.db2.gz MADSAJXBANRSCV-UHFFFAOYSA-N 0 3 228.339 3.323 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000019804709 388748503 /nfs/dbraw/zinc/74/85/03/388748503.db2.gz XKVQLUMGHUNSHU-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000019804711 411159920 /nfs/dbraw/zinc/15/99/20/411159920.db2.gz OCWNXOBKDPMFDX-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC000019804733 176362005 /nfs/dbraw/zinc/36/20/05/176362005.db2.gz LRFXZFDOUZOFAZ-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC000019804734 177315461 /nfs/dbraw/zinc/31/54/61/177315461.db2.gz LRFXZFDOUZOFAZ-TXEJJXNPSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC000019804738 177358757 /nfs/dbraw/zinc/35/87/57/177358757.db2.gz LRFXZFDOUZOFAZ-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC000019804739 176362325 /nfs/dbraw/zinc/36/23/25/176362325.db2.gz YBUREOPBTFHLHJ-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC000019804740 177313251 /nfs/dbraw/zinc/31/32/51/177313251.db2.gz YBUREOPBTFHLHJ-TXEJJXNPSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC000019804741 177358695 /nfs/dbraw/zinc/35/86/95/177358695.db2.gz YBUREOPBTFHLHJ-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccccc1C#N ZINC000019804763 176116741 /nfs/dbraw/zinc/11/67/41/176116741.db2.gz OPDVCKSKNLVEHK-CHWSQXEVSA-N 0 3 228.339 3.321 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccccc1C#N ZINC000019804764 177117375 /nfs/dbraw/zinc/11/73/75/177117375.db2.gz OPDVCKSKNLVEHK-BETUJISGSA-N 0 3 228.339 3.321 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1ccccc1C#N ZINC000019804765 177132474 /nfs/dbraw/zinc/13/24/74/177132474.db2.gz OPDVCKSKNLVEHK-STQMWFEESA-N 0 3 228.339 3.321 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)cc1F ZINC000019804766 176116778 /nfs/dbraw/zinc/11/67/78/176116778.db2.gz YXXJVQQWYDFFKN-VXGBXAGGSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000019804768 177117349 /nfs/dbraw/zinc/11/73/49/177117349.db2.gz YXXJVQQWYDFFKN-TXEJJXNPSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000019804769 177132237 /nfs/dbraw/zinc/13/22/37/177132237.db2.gz YXXJVQQWYDFFKN-RYUDHWBXSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000019804770 176115977 /nfs/dbraw/zinc/11/59/77/176115977.db2.gz WFCNQHBWVXNGSL-VXGBXAGGSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000019804771 177116786 /nfs/dbraw/zinc/11/67/86/177116786.db2.gz WFCNQHBWVXNGSL-TXEJJXNPSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000019804772 177132210 /nfs/dbraw/zinc/13/22/10/177132210.db2.gz WFCNQHBWVXNGSL-RYUDHWBXSA-N 0 3 246.329 3.460 20 30 BGEDHN C#CCN[C@H](C)c1cccc2ccccc21 ZINC000019875442 166192653 /nfs/dbraw/zinc/19/26/53/166192653.db2.gz QPEOIXDVWMRZAQ-GFCCVEGCSA-N 0 3 209.292 3.124 20 30 BGEDHN C#CCN[C@@H](C)c1cccc2ccccc21 ZINC000019875443 166190983 /nfs/dbraw/zinc/19/09/83/166190983.db2.gz QPEOIXDVWMRZAQ-LBPRGKRZSA-N 0 3 209.292 3.124 20 30 BGEDHN C#CCN[C@H](CC)c1cccc(Cl)c1 ZINC000019875498 166191836 /nfs/dbraw/zinc/19/18/36/166191836.db2.gz VTSLIDGSSGFKJO-GFCCVEGCSA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCN[C@@H](CC)c1cccc(Cl)c1 ZINC000019875499 166190558 /nfs/dbraw/zinc/19/05/58/166190558.db2.gz VTSLIDGSSGFKJO-LBPRGKRZSA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCN[C@H](CC)c1ccc(Cl)cc1 ZINC000019875521 166192954 /nfs/dbraw/zinc/19/29/54/166192954.db2.gz AWFHRNTUAHHKMF-GFCCVEGCSA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000019875522 166190631 /nfs/dbraw/zinc/19/06/31/166190631.db2.gz AWFHRNTUAHHKMF-LBPRGKRZSA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000019875709 166191039 /nfs/dbraw/zinc/19/10/39/166191039.db2.gz RPIKATYCLKKNKQ-KRWDZBQOSA-N 0 3 235.330 3.193 20 30 BGEDHN C#CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000019875710 166192951 /nfs/dbraw/zinc/19/29/51/166192951.db2.gz RPIKATYCLKKNKQ-QGZVFWFLSA-N 0 3 235.330 3.193 20 30 BGEDHN C=CCN[C@H](C)c1ccc(Br)cc1 ZINC000019875786 188351829 /nfs/dbraw/zinc/35/18/29/188351829.db2.gz PPCNJWUJBHSRAS-SECBINFHSA-N 0 3 240.144 3.286 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(Br)cc1 ZINC000019875787 541372089 /nfs/dbraw/zinc/37/20/89/541372089.db2.gz PPCNJWUJBHSRAS-VIFPVBQESA-N 0 3 240.144 3.286 20 30 BGEDHN C=CCN[C@H](C)c1ccccc1OC(F)F ZINC000019875884 188231959 /nfs/dbraw/zinc/23/19/59/188231959.db2.gz YHMBEMCACMIUFT-SECBINFHSA-N 0 3 227.254 3.125 20 30 BGEDHN C=CCN[C@@H](C)c1ccccc1OC(F)F ZINC000019875885 386784478 /nfs/dbraw/zinc/78/44/78/386784478.db2.gz YHMBEMCACMIUFT-VIFPVBQESA-N 0 3 227.254 3.125 20 30 BGEDHN C=CCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000019875947 356484882 /nfs/dbraw/zinc/48/48/82/356484882.db2.gz TZXYFWGKOKGXHT-GFCCVEGCSA-N 0 3 219.328 3.310 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019875948 386783630 /nfs/dbraw/zinc/78/36/30/386783630.db2.gz TZXYFWGKOKGXHT-LBPRGKRZSA-N 0 3 219.328 3.310 20 30 BGEDHN C=CCN[C@H](C)c1cc2ccccc2o1 ZINC000019876010 188004113 /nfs/dbraw/zinc/00/41/13/188004113.db2.gz YPAFHJBJOJAXPS-SNVBAGLBSA-N 0 3 201.269 3.269 20 30 BGEDHN C=CCN[C@@H](C)c1cc2ccccc2o1 ZINC000019876011 541371825 /nfs/dbraw/zinc/37/18/25/541371825.db2.gz YPAFHJBJOJAXPS-JTQLQIEISA-N 0 3 201.269 3.269 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019876042 385153921 /nfs/dbraw/zinc/15/39/21/385153921.db2.gz DZRDNEBLGVTQCO-VIFPVBQESA-N 0 3 245.244 3.422 20 30 BGEDHN C=CCN[C@H](C)c1ccc(SC)cc1 ZINC000019876045 187314321 /nfs/dbraw/zinc/31/43/21/187314321.db2.gz MCGLAPCOHFPLPW-SNVBAGLBSA-N 0 3 207.342 3.245 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(SC)cc1 ZINC000019876046 541371724 /nfs/dbraw/zinc/37/17/24/541371724.db2.gz MCGLAPCOHFPLPW-JTQLQIEISA-N 0 3 207.342 3.245 20 30 BGEDHN C[C@@H](NCc1ccccc1)c1ccc(C#N)cc1 ZINC000019899490 371198392 /nfs/dbraw/zinc/19/83/92/371198392.db2.gz IOPGFXNJSMTLKA-CYBMUJFWSA-N 0 3 236.318 3.409 20 30 BGEDHN C[C@H](NCc1ccccc1)c1ccc(C#N)cc1 ZINC000019899491 386608905 /nfs/dbraw/zinc/60/89/05/386608905.db2.gz IOPGFXNJSMTLKA-ZDUSSCGKSA-N 0 3 236.318 3.409 20 30 BGEDHN Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000019962379 371211725 /nfs/dbraw/zinc/21/17/25/371211725.db2.gz VGSHDFGXALRVHV-UHFFFAOYSA-N 0 3 236.318 3.157 20 30 BGEDHN N#Cc1ccc(CNC2CCCCC2)c(F)c1 ZINC000020035655 181107064 /nfs/dbraw/zinc/10/70/64/181107064.db2.gz APXJYVAZKFMRBP-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN N#Cc1ccc(F)c(CNC2CCCCC2)c1 ZINC000020035659 181113251 /nfs/dbraw/zinc/11/32/51/181113251.db2.gz BFLMSSRFJPRGBB-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN N#CCCCNCc1cccc(C(F)(F)F)c1 ZINC000020044224 342966982 /nfs/dbraw/zinc/96/69/82/342966982.db2.gz GMPUZICXFUGRGZ-UHFFFAOYSA-N 0 3 242.244 3.099 20 30 BGEDHN CC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000020050150 168164562 /nfs/dbraw/zinc/16/45/62/168164562.db2.gz NKEUYOITVBSEEZ-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC1CCC(NCc2cc(C#N)ccc2F)CC1 ZINC000020050153 168163993 /nfs/dbraw/zinc/16/39/93/168163993.db2.gz STVOYPRCYBUVRK-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000020052608 176080926 /nfs/dbraw/zinc/08/09/26/176080926.db2.gz VGXBQRJWRKPZOY-DOMZBBRYSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000020052609 177083806 /nfs/dbraw/zinc/08/38/06/177083806.db2.gz VGXBQRJWRKPZOY-WFASDCNBSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000020052611 176088736 /nfs/dbraw/zinc/08/87/36/176088736.db2.gz VGXBQRJWRKPZOY-IUODEOHRSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000020052613 177088679 /nfs/dbraw/zinc/08/86/79/177088679.db2.gz VGXBQRJWRKPZOY-SWLSCSKDSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000020055219 176123700 /nfs/dbraw/zinc/12/37/00/176123700.db2.gz VZMGERUKJFHWBA-XJKCOSOUSA-N 0 3 242.366 3.473 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000020055223 176144056 /nfs/dbraw/zinc/14/40/56/176144056.db2.gz VZMGERUKJFHWBA-IOASZLSFSA-N 0 3 242.366 3.473 20 30 BGEDHN C=CCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000020084826 351898274 /nfs/dbraw/zinc/89/82/74/351898274.db2.gz VBTDBBREDSAKMM-SECBINFHSA-N 0 3 227.254 3.125 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020084828 351898404 /nfs/dbraw/zinc/89/84/04/351898404.db2.gz VBTDBBREDSAKMM-VIFPVBQESA-N 0 3 227.254 3.125 20 30 BGEDHN C=CCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000020084830 134155042 /nfs/dbraw/zinc/15/50/42/134155042.db2.gz JZTMNFGDVNACDU-SECBINFHSA-N 0 3 227.254 3.125 20 30 BGEDHN C=CCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000020084831 134154947 /nfs/dbraw/zinc/15/49/47/134154947.db2.gz JZTMNFGDVNACDU-VIFPVBQESA-N 0 3 227.254 3.125 20 30 BGEDHN N#Cc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000020129702 181137696 /nfs/dbraw/zinc/13/76/96/181137696.db2.gz SYICSWBRPGXMEE-QGZVFWFLSA-N 0 3 248.329 3.335 20 30 BGEDHN N#Cc1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000020129703 188351912 /nfs/dbraw/zinc/35/19/12/188351912.db2.gz SYICSWBRPGXMEE-KRWDZBQOSA-N 0 3 248.329 3.335 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000020129814 188351665 /nfs/dbraw/zinc/35/16/65/188351665.db2.gz YCXSRVMIYKCZPO-QGZVFWFLSA-N 0 3 248.329 3.335 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000020129815 187315058 /nfs/dbraw/zinc/31/50/58/187315058.db2.gz YCXSRVMIYKCZPO-KRWDZBQOSA-N 0 3 248.329 3.335 20 30 BGEDHN Cc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000020133948 259389353 /nfs/dbraw/zinc/38/93/53/259389353.db2.gz FKFNZJDSKYBQPL-UHFFFAOYSA-N 0 3 236.318 3.157 20 30 BGEDHN C[C@@H](NCc1cccs1)c1ccc(C#N)cc1 ZINC000020138994 371234897 /nfs/dbraw/zinc/23/48/97/371234897.db2.gz KSMZXVUOFPLAGN-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@H](NCc1cccs1)c1ccc(C#N)cc1 ZINC000020138997 388755004 /nfs/dbraw/zinc/75/50/04/388755004.db2.gz KSMZXVUOFPLAGN-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000020148223 388755768 /nfs/dbraw/zinc/75/57/68/388755768.db2.gz NJSHIWYADWMPNW-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000020148224 388755295 /nfs/dbraw/zinc/75/52/95/388755295.db2.gz NJSHIWYADWMPNW-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccs1 ZINC000020148322 388755346 /nfs/dbraw/zinc/75/53/46/388755346.db2.gz HLTHWYKOHYISPZ-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccs1 ZINC000020148323 388755412 /nfs/dbraw/zinc/75/54/12/388755412.db2.gz HLTHWYKOHYISPZ-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN CCC(C)(C)C1CCC(NCCC#N)CC1 ZINC000020199398 352140578 /nfs/dbraw/zinc/14/05/78/352140578.db2.gz FGONQDFLSRARLE-UHFFFAOYSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)(C)C1CCC(NCCC#N)CC1 ZINC000020199409 166544173 /nfs/dbraw/zinc/54/41/73/166544173.db2.gz MMJCNSFTTBDTRI-UHFFFAOYSA-N 0 3 208.349 3.095 20 30 BGEDHN N#CCCNC1CCC(c2ccccc2)CC1 ZINC000020199413 352140532 /nfs/dbraw/zinc/14/05/32/352140532.db2.gz XWXRIJRYUOWRKL-UHFFFAOYSA-N 0 3 228.339 3.216 20 30 BGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCCC#N ZINC000020199427 385422421 /nfs/dbraw/zinc/42/24/21/385422421.db2.gz CQWJMVRIAUCTPW-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C)[C@H]1CCCC[C@@H]1NCCC#N ZINC000020199429 188175416 /nfs/dbraw/zinc/17/54/16/188175416.db2.gz CQWJMVRIAUCTPW-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NCCC#N ZINC000020199431 188005973 /nfs/dbraw/zinc/00/59/73/188005973.db2.gz CQWJMVRIAUCTPW-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C)[C@H]1CCCC[C@H]1NCCC#N ZINC000020199432 385422251 /nfs/dbraw/zinc/42/22/51/385422251.db2.gz CQWJMVRIAUCTPW-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020199714 386168552 /nfs/dbraw/zinc/16/85/52/386168552.db2.gz KNKXCNIOSTZZQR-SHIHICALSA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@H](NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020199716 386168220 /nfs/dbraw/zinc/16/82/20/386168220.db2.gz KNKXCNIOSTZZQR-DYQPHDICSA-N 0 3 232.371 3.095 20 30 BGEDHN N#Cc1ccc(F)c(CN2CCCCCCC2)c1 ZINC000020265904 181112919 /nfs/dbraw/zinc/11/29/19/181112919.db2.gz GLLLPSZUHLJBHT-UHFFFAOYSA-N 0 3 246.329 3.463 20 30 BGEDHN N#Cc1ccc(CN2CCCCCCC2)c(F)c1 ZINC000020265907 188108441 /nfs/dbraw/zinc/10/84/41/188108441.db2.gz UJHZLSYCNBRRKS-UHFFFAOYSA-N 0 3 246.329 3.463 20 30 BGEDHN C=CCN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000021028556 386215322 /nfs/dbraw/zinc/21/53/22/386215322.db2.gz DIOSJXACUHYDGE-GFCCVEGCSA-N 0 3 215.340 3.402 20 30 BGEDHN C=CCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000021028564 259419077 /nfs/dbraw/zinc/41/90/77/259419077.db2.gz DIOSJXACUHYDGE-LBPRGKRZSA-N 0 3 215.340 3.402 20 30 BGEDHN CC(C)N(CC#Cc1ccccc1)C(C)C ZINC000026505196 188180693 /nfs/dbraw/zinc/18/06/93/188180693.db2.gz ZMJKSSYMVWEDMA-UHFFFAOYSA-N 0 3 215.340 3.157 20 30 BGEDHN C=CCN1CCC[C@@H](c2ccccc2)C1 ZINC000026837420 166355435 /nfs/dbraw/zinc/35/54/35/166355435.db2.gz HPPKSQALBVNBHA-CQSZACIVSA-N 0 3 201.313 3.052 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(CC)cc1 ZINC000027842903 343537051 /nfs/dbraw/zinc/53/70/51/343537051.db2.gz YMHCCPSFSFIHEU-UHFFFAOYSA-N 0 3 215.340 3.423 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(F)cc1 ZINC000027903217 368978498 /nfs/dbraw/zinc/97/84/98/368978498.db2.gz RHNIKMTXAUBFTK-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=CCN(C)Cc1cccc2ccccc21 ZINC000028247215 166322279 /nfs/dbraw/zinc/32/22/79/166322279.db2.gz JOSZDNQQIODTBC-UHFFFAOYSA-N 0 3 211.308 3.458 20 30 BGEDHN C=CCN(CC=C)[C@@H](C)c1ccccc1 ZINC000034541482 357916821 /nfs/dbraw/zinc/91/68/21/357916821.db2.gz ZUKMOCSJPVKFBQ-ZDUSSCGKSA-N 0 3 201.313 3.422 20 30 BGEDHN CC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000034543844 356702519 /nfs/dbraw/zinc/70/25/19/356702519.db2.gz GUOCFMKXTGERLC-MRXNPFEDSA-N 0 3 227.351 3.303 20 30 BGEDHN CC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000034543846 356702491 /nfs/dbraw/zinc/70/24/91/356702491.db2.gz GUOCFMKXTGERLC-INIZCTEOSA-N 0 3 227.351 3.303 20 30 BGEDHN C=CCN(CC=C)C/C=C/c1ccccc1 ZINC000034566284 355907293 /nfs/dbraw/zinc/90/72/93/355907293.db2.gz VEVJBLLCMISWAE-DHZHZOJOSA-N 0 3 213.324 3.374 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccccc2)[C@H]1C ZINC000034606143 355909172 /nfs/dbraw/zinc/90/91/72/355909172.db2.gz YBVPKXXAECZVRA-CABCVRRESA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000034607589 386457763 /nfs/dbraw/zinc/45/77/63/386457763.db2.gz WTVHRNCZBRUURT-CABCVRRESA-N 0 3 227.351 3.159 20 30 BGEDHN C#CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046314 645888455 /nfs/dbraw/zinc/88/84/55/645888455.db2.gz AMWLTEMHQMWEAG-CYBMUJFWSA-N 0 3 219.715 3.014 20 30 BGEDHN C#CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046315 645889039 /nfs/dbraw/zinc/88/90/39/645889039.db2.gz AMWLTEMHQMWEAG-ZDUSSCGKSA-N 0 3 219.715 3.014 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000035238520 356422908 /nfs/dbraw/zinc/42/29/08/356422908.db2.gz HWTZRBUOLRHEFG-CYBMUJFWSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000035238522 356423004 /nfs/dbraw/zinc/42/30/04/356423004.db2.gz HWTZRBUOLRHEFG-ZDUSSCGKSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000035238532 356422849 /nfs/dbraw/zinc/42/28/49/356422849.db2.gz YWHSYLXEIDOIHH-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000035238534 356422987 /nfs/dbraw/zinc/42/29/87/356422987.db2.gz YWHSYLXEIDOIHH-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000035238536 356422805 /nfs/dbraw/zinc/42/28/05/356422805.db2.gz HITFBDCXQUQZBP-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000035238538 356422784 /nfs/dbraw/zinc/42/27/84/356422784.db2.gz HITFBDCXQUQZBP-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000035238543 356422832 /nfs/dbraw/zinc/42/28/32/356422832.db2.gz UIXUNHLMGBOHFY-CYBMUJFWSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000035238545 356422844 /nfs/dbraw/zinc/42/28/44/356422844.db2.gz UIXUNHLMGBOHFY-ZDUSSCGKSA-N 0 3 228.339 3.180 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1ccccc1C#N ZINC000035238561 167369101 /nfs/dbraw/zinc/36/91/01/167369101.db2.gz UPFIUACYKRHBQW-GFCCVEGCSA-N 0 3 216.328 3.035 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1ccccc1C#N ZINC000035238563 387513665 /nfs/dbraw/zinc/51/36/65/387513665.db2.gz UPFIUACYKRHBQW-LBPRGKRZSA-N 0 3 216.328 3.035 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000035238572 167369378 /nfs/dbraw/zinc/36/93/78/167369378.db2.gz ZZFIAMCLDZHTND-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000035238574 188284880 /nfs/dbraw/zinc/28/48/80/188284880.db2.gz ZZFIAMCLDZHTND-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000035238575 167367674 /nfs/dbraw/zinc/36/76/74/167367674.db2.gz GPFYEAJYKQEGHI-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000035238576 188111686 /nfs/dbraw/zinc/11/16/86/188111686.db2.gz GPFYEAJYKQEGHI-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1ccccc1C#N ZINC000035238595 169365760 /nfs/dbraw/zinc/36/57/60/169365760.db2.gz VUNDXQYWUXIXGF-GFCCVEGCSA-N 0 3 216.328 3.179 20 30 BGEDHN CCC[C@H](C)N(C)Cc1ccccc1C#N ZINC000035238596 387513026 /nfs/dbraw/zinc/51/30/26/387513026.db2.gz VUNDXQYWUXIXGF-LBPRGKRZSA-N 0 3 216.328 3.179 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000035238604 169365392 /nfs/dbraw/zinc/36/53/92/169365392.db2.gz XHKMMIRLTADRHB-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CCC[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000035238605 387513133 /nfs/dbraw/zinc/51/31/33/387513133.db2.gz XHKMMIRLTADRHB-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000035238607 169364876 /nfs/dbraw/zinc/36/48/76/169364876.db2.gz QHDSLPIGBSYKHB-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CCC[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000035238608 387512943 /nfs/dbraw/zinc/51/29/43/387512943.db2.gz QHDSLPIGBSYKHB-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN C[C@H](NCc1ccsc1)c1ccc(C#N)cc1 ZINC000035256397 398323908 /nfs/dbraw/zinc/32/39/08/398323908.db2.gz TZNCGIBKHGZUDF-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1ccsc1)c1ccc(C#N)cc1 ZINC000035256398 398324137 /nfs/dbraw/zinc/32/41/37/398324137.db2.gz TZNCGIBKHGZUDF-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN CCN(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000035766151 359314977 /nfs/dbraw/zinc/31/49/77/359314977.db2.gz JVILMRVESXKJQT-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CCN(Cc1ccccc1C#N)C1CCCC1 ZINC000035766155 359314784 /nfs/dbraw/zinc/31/47/84/359314784.db2.gz YCLVKZGRHFXWFX-UHFFFAOYSA-N 0 3 228.339 3.323 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036680007 342909927 /nfs/dbraw/zinc/90/99/27/342909927.db2.gz OMRMZBXWTXFXMN-WUHRBBMRSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000037022536 361592986 /nfs/dbraw/zinc/59/29/86/361592986.db2.gz LTJDTCRPXOIEQQ-CQSZACIVSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000037022537 361593683 /nfs/dbraw/zinc/59/36/83/361593683.db2.gz LTJDTCRPXOIEQQ-AWEZNQCLSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000037022538 361593736 /nfs/dbraw/zinc/59/37/36/361593736.db2.gz XFWMTINANMDLFQ-CQSZACIVSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000037022539 361593710 /nfs/dbraw/zinc/59/37/10/361593710.db2.gz XFWMTINANMDLFQ-AWEZNQCLSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000037022541 388085022 /nfs/dbraw/zinc/08/50/22/388085022.db2.gz IHUDPDAKPQIESZ-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000037022542 388085044 /nfs/dbraw/zinc/08/50/44/388085044.db2.gz SJVNJXVPHMSUHG-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CCCN(Cc1cc(C#N)ccc1F)C(C)C ZINC000037096160 361661745 /nfs/dbraw/zinc/66/17/45/361661745.db2.gz WOEPJNZIVGUUSY-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CCCN(Cc1ccc(C#N)cc1F)C(C)C ZINC000037096161 361661384 /nfs/dbraw/zinc/66/13/84/361661384.db2.gz SEQXLVQSOHUWCX-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CCCN(Cc1ccccc1C#N)C(C)C ZINC000037096162 361661309 /nfs/dbraw/zinc/66/13/09/361661309.db2.gz QFYRAHQTNWZJDC-UHFFFAOYSA-N 0 3 216.328 3.179 20 30 BGEDHN CCCN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000037097303 169175776 /nfs/dbraw/zinc/17/57/76/169175776.db2.gz FPVUPULLTVXVNL-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CCN(Cc1cc(C#N)ccc1F)CC(C)C ZINC000037111588 361677577 /nfs/dbraw/zinc/67/75/77/361677577.db2.gz KGGKEDXSNVVKHD-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CCN(Cc1ccc(C#N)cc1F)CC(C)C ZINC000037111589 361677605 /nfs/dbraw/zinc/67/76/05/361677605.db2.gz HDQGDKQAPSPMOQ-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CCN(Cc1ccccc1C#N)CC(C)C ZINC000037111590 361677548 /nfs/dbraw/zinc/67/75/48/361677548.db2.gz BZMKHFWTPQZVCP-UHFFFAOYSA-N 0 3 216.328 3.036 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1cc(C#N)ccc1F ZINC000037113091 361677513 /nfs/dbraw/zinc/67/75/13/361677513.db2.gz CMVZBRJDOBHPIJ-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@H](C)N(CC)Cc1cc(C#N)ccc1F ZINC000037113092 361677104 /nfs/dbraw/zinc/67/71/04/361677104.db2.gz CMVZBRJDOBHPIJ-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1F ZINC000037113093 361678045 /nfs/dbraw/zinc/67/80/45/361678045.db2.gz VVMQPRKRMKKVMG-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@H](C)N(CC)Cc1ccc(C#N)cc1F ZINC000037113094 361678450 /nfs/dbraw/zinc/67/84/50/361678450.db2.gz VVMQPRKRMKKVMG-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1ccccc1C#N ZINC000037113095 361677398 /nfs/dbraw/zinc/67/73/98/361677398.db2.gz WLXCPNNKCVYUKA-GFCCVEGCSA-N 0 3 216.328 3.179 20 30 BGEDHN CC[C@H](C)N(CC)Cc1ccccc1C#N ZINC000037113096 361677135 /nfs/dbraw/zinc/67/71/35/361677135.db2.gz WLXCPNNKCVYUKA-LBPRGKRZSA-N 0 3 216.328 3.179 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000037173188 361715837 /nfs/dbraw/zinc/71/58/37/361715837.db2.gz HCYVFEYIBRIEMB-LLVKDONJSA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000037173189 171274275 /nfs/dbraw/zinc/27/42/75/171274275.db2.gz HCYVFEYIBRIEMB-NSHDSACASA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1F ZINC000037173190 361715694 /nfs/dbraw/zinc/71/56/94/361715694.db2.gz FBCDORVPVVYYAL-LLVKDONJSA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@H](C)CN(C)Cc1ccc(C#N)cc1F ZINC000037173191 171273873 /nfs/dbraw/zinc/27/38/73/171273873.db2.gz FBCDORVPVVYYAL-NSHDSACASA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1ccccc1C#N ZINC000037173192 346676890 /nfs/dbraw/zinc/67/68/90/346676890.db2.gz BMTHZLUIFZXISB-GFCCVEGCSA-N 0 3 216.328 3.036 20 30 BGEDHN CC[C@H](C)CN(C)Cc1ccccc1C#N ZINC000037173193 171274343 /nfs/dbraw/zinc/27/43/43/171274343.db2.gz BMTHZLUIFZXISB-LBPRGKRZSA-N 0 3 216.328 3.036 20 30 BGEDHN C[C@H](NCc1ccccc1)c1cccc(C#N)c1 ZINC000037187756 388206888 /nfs/dbraw/zinc/20/68/88/388206888.db2.gz RXVSRWLSXOBOID-ZDUSSCGKSA-N 0 3 236.318 3.409 20 30 BGEDHN C[C@@H](NCc1ccccc1)c1cccc(C#N)c1 ZINC000037187757 361733140 /nfs/dbraw/zinc/73/31/40/361733140.db2.gz RXVSRWLSXOBOID-CYBMUJFWSA-N 0 3 236.318 3.409 20 30 BGEDHN C[C@H](NCc1cccs1)c1cccc(C#N)c1 ZINC000037232022 388239335 /nfs/dbraw/zinc/23/93/35/388239335.db2.gz VZXUJKCERBZSPY-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1cccs1)c1cccc(C#N)c1 ZINC000037232023 361762678 /nfs/dbraw/zinc/76/26/78/361762678.db2.gz VZXUJKCERBZSPY-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](CC(C)(C)c1ccccc1)NCCC#N ZINC000037240227 358470961 /nfs/dbraw/zinc/47/09/61/358470961.db2.gz SVOLIGNZPKUUJV-ZDUSSCGKSA-N 0 3 230.355 3.246 20 30 BGEDHN C[C@H](CC(C)(C)c1ccccc1)NCCC#N ZINC000037240229 358470407 /nfs/dbraw/zinc/47/04/07/358470407.db2.gz SVOLIGNZPKUUJV-CYBMUJFWSA-N 0 3 230.355 3.246 20 30 BGEDHN N#CCCN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000037240278 358470531 /nfs/dbraw/zinc/47/05/31/358470531.db2.gz RACLCYQWUPUMFI-GJZGRUSLSA-N 0 3 228.339 3.216 20 30 BGEDHN N#CCCN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037240280 358470609 /nfs/dbraw/zinc/47/06/09/358470609.db2.gz RACLCYQWUPUMFI-CABCVRRESA-N 0 3 228.339 3.216 20 30 BGEDHN N#CCCN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037240282 358470522 /nfs/dbraw/zinc/47/05/22/358470522.db2.gz RACLCYQWUPUMFI-LSDHHAIUSA-N 0 3 228.339 3.216 20 30 BGEDHN N#CCCN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037240283 358470375 /nfs/dbraw/zinc/47/03/75/358470375.db2.gz RACLCYQWUPUMFI-HUUCEWRRSA-N 0 3 228.339 3.216 20 30 BGEDHN N#Cc1ccc(CNCC2CCCCC2)c(F)c1 ZINC000037250685 181108470 /nfs/dbraw/zinc/10/84/70/181108470.db2.gz QQFYXAYFUVCKOB-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000037255611 176143894 /nfs/dbraw/zinc/14/38/94/176143894.db2.gz VTMLGTMEOINBKG-RISCZKNCSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000037255613 177137157 /nfs/dbraw/zinc/13/71/57/177137157.db2.gz VTMLGTMEOINBKG-FZMZJTMJSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000037255615 176123229 /nfs/dbraw/zinc/12/32/29/176123229.db2.gz VTMLGTMEOINBKG-BXUZGUMPSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000037255617 177122811 /nfs/dbraw/zinc/12/28/11/177122811.db2.gz VTMLGTMEOINBKG-SMDDNHRTSA-N 0 3 246.329 3.366 20 30 BGEDHN CC(C)C[C@@H](C)NCc1cc(C#N)ccc1F ZINC000037264914 188287248 /nfs/dbraw/zinc/28/72/48/188287248.db2.gz SMYHBOZPTBALFH-LLVKDONJSA-N 0 3 234.318 3.222 20 30 BGEDHN CC(C)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000037264916 361791953 /nfs/dbraw/zinc/79/19/53/361791953.db2.gz FKIBDDBJAPATAH-LLVKDONJSA-N 0 3 234.318 3.222 20 30 BGEDHN CC(C)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000037264917 361792069 /nfs/dbraw/zinc/79/20/69/361792069.db2.gz FKIBDDBJAPATAH-NSHDSACASA-N 0 3 234.318 3.222 20 30 BGEDHN N#CCCCN1CCC(Cc2ccccc2)CC1 ZINC000037388564 181036175 /nfs/dbraw/zinc/03/61/75/181036175.db2.gz LXPNKAKPCADWMB-UHFFFAOYSA-N 0 3 242.366 3.245 20 30 BGEDHN Cc1ccccc1CNCc1ccc(C#N)cc1 ZINC000037488972 179282512 /nfs/dbraw/zinc/28/25/12/179282512.db2.gz ZBPHGZIVMHJMQE-UHFFFAOYSA-N 0 3 236.318 3.157 20 30 BGEDHN Cc1ccccc1CNCc1cccc(C#N)c1 ZINC000037488981 179283067 /nfs/dbraw/zinc/28/30/67/179283067.db2.gz GSVOHDVXTFCDNN-UHFFFAOYSA-N 0 3 236.318 3.157 20 30 BGEDHN Cc1ccsc1CNCc1cccc(C#N)c1 ZINC000037500180 364095844 /nfs/dbraw/zinc/09/58/44/364095844.db2.gz JYRFBYDYNRMEID-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1ccc(CNCc2cccc(C#N)c2)s1 ZINC000037501687 388886088 /nfs/dbraw/zinc/88/60/88/388886088.db2.gz MOXQJRDXAFXSFA-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1ccsc1CNCc1ccc(C#N)cc1 ZINC000037505742 179548311 /nfs/dbraw/zinc/54/83/11/179548311.db2.gz CHHWAPBAHFEJKX-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1ccc(CNCc2ccc(C#N)cc2)s1 ZINC000037505745 364096287 /nfs/dbraw/zinc/09/62/87/364096287.db2.gz KWEZBELHYCRDIR-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN C=C(Br)CN[C@H]1CCCC[C@H]1C ZINC000037681078 364517096 /nfs/dbraw/zinc/51/70/96/364517096.db2.gz NZCPMUXVLKMTAV-SCZZXKLOSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@H]1CCCC[C@@H]1C ZINC000037681080 364517089 /nfs/dbraw/zinc/51/70/89/364517089.db2.gz NZCPMUXVLKMTAV-WPRPVWTQSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1C ZINC000037681082 364517024 /nfs/dbraw/zinc/51/70/24/364517024.db2.gz NZCPMUXVLKMTAV-PSASIEDQSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@@H]1CCCC[C@@H]1C ZINC000037681084 344527167 /nfs/dbraw/zinc/52/71/67/344527167.db2.gz NZCPMUXVLKMTAV-WCBMZHEXSA-N 0 3 232.165 3.063 20 30 BGEDHN N#Cc1ccc(CNCCC2CCCC2)c(F)c1 ZINC000037741342 181107802 /nfs/dbraw/zinc/10/78/02/181107802.db2.gz FYVGFVAYCSPIOU-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN CC[C@@H](CC#N)NCCC1CCCCC1 ZINC000037741811 342949052 /nfs/dbraw/zinc/94/90/52/342949052.db2.gz SBGOWZZMKZWMLK-ZDUSSCGKSA-N 0 3 208.349 3.239 20 30 BGEDHN CC[C@H](CC#N)NCCC1CCCCC1 ZINC000037741812 342949104 /nfs/dbraw/zinc/94/91/04/342949104.db2.gz SBGOWZZMKZWMLK-CYBMUJFWSA-N 0 3 208.349 3.239 20 30 BGEDHN CC[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000037913736 360023962 /nfs/dbraw/zinc/02/39/62/360023962.db2.gz IPMPFBDFDLAQES-CYBMUJFWSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000037913737 360024205 /nfs/dbraw/zinc/02/42/05/360024205.db2.gz IPMPFBDFDLAQES-ZDUSSCGKSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000037913738 360020552 /nfs/dbraw/zinc/02/05/52/360020552.db2.gz XCGXWLOKUMFLHE-CYBMUJFWSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000037913739 351260575 /nfs/dbraw/zinc/26/05/75/351260575.db2.gz XCGXWLOKUMFLHE-ZDUSSCGKSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@@H](CC#N)NCC(C)(C)c1ccccc1 ZINC000037935016 170811924 /nfs/dbraw/zinc/81/19/24/170811924.db2.gz WDCVXNORFPCJMH-AWEZNQCLSA-N 0 3 230.355 3.246 20 30 BGEDHN CC[C@H](CC#N)NCC(C)(C)c1ccccc1 ZINC000037935017 171419640 /nfs/dbraw/zinc/41/96/40/171419640.db2.gz WDCVXNORFPCJMH-CQSZACIVSA-N 0 3 230.355 3.246 20 30 BGEDHN C=C(Cl)CNCC(C)(C)c1ccccc1 ZINC000037935038 712789422 /nfs/dbraw/zinc/78/94/22/712789422.db2.gz HJPOHOGMPVPCQB-UHFFFAOYSA-N 0 3 223.747 3.306 20 30 BGEDHN C[C@H](NCCCC#N)c1cccc(Cl)c1 ZINC000037978943 386110431 /nfs/dbraw/zinc/11/04/31/386110431.db2.gz LOEQPTIQRDBRRG-JTQLQIEISA-N 0 3 222.719 3.294 20 30 BGEDHN C[C@@H](NCCCC#N)c1cccc(Cl)c1 ZINC000037978944 386112547 /nfs/dbraw/zinc/11/25/47/386112547.db2.gz LOEQPTIQRDBRRG-SNVBAGLBSA-N 0 3 222.719 3.294 20 30 BGEDHN CCc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000037978945 386111810 /nfs/dbraw/zinc/11/18/10/386111810.db2.gz YPJOOPVXAXZLBV-GFCCVEGCSA-N 0 3 216.328 3.203 20 30 BGEDHN CCc1ccc([C@H](C)NCCCC#N)cc1 ZINC000037978946 386110325 /nfs/dbraw/zinc/11/03/25/386110325.db2.gz YPJOOPVXAXZLBV-LBPRGKRZSA-N 0 3 216.328 3.203 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(Br)s1 ZINC000038001577 166402769 /nfs/dbraw/zinc/40/27/69/166402769.db2.gz KRUJLZFJGWIGCP-ZETCQYMHSA-N 0 3 246.173 3.347 20 30 BGEDHN C=CCN[C@H](C)c1ccc(Br)s1 ZINC000038001578 188353981 /nfs/dbraw/zinc/35/39/81/188353981.db2.gz KRUJLZFJGWIGCP-SSDOTTSWSA-N 0 3 246.173 3.347 20 30 BGEDHN CC(C)CCCNCc1ccc(C#N)cc1F ZINC000038093974 387571614 /nfs/dbraw/zinc/57/16/14/387571614.db2.gz SYKXOVGCOKFSDN-UHFFFAOYSA-N 0 3 234.318 3.223 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(CC#Cc2ccccc2)C1 ZINC000038273359 323388277 /nfs/dbraw/zinc/38/82/77/323388277.db2.gz YZLUKUUGHWGKDA-GASCZTMLSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@H]1C[C@H](C)CN(CC#Cc2ccccc2)C1 ZINC000038273360 323388419 /nfs/dbraw/zinc/38/84/19/323388419.db2.gz YZLUKUUGHWGKDA-GJZGRUSLSA-N 0 3 227.351 3.016 20 30 BGEDHN C=CCN1CCC[C@H](c2ccccc2)C1 ZINC000038812274 343139439 /nfs/dbraw/zinc/13/94/39/343139439.db2.gz HPPKSQALBVNBHA-AWEZNQCLSA-N 0 3 201.313 3.052 20 30 BGEDHN CC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000039102693 385013432 /nfs/dbraw/zinc/01/34/32/385013432.db2.gz SRVAAGIWKJNZII-OAHLLOKOSA-N 0 3 227.351 3.160 20 30 BGEDHN CC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000039102694 385013026 /nfs/dbraw/zinc/01/30/26/385013026.db2.gz SRVAAGIWKJNZII-HNNXBMFYSA-N 0 3 227.351 3.160 20 30 BGEDHN CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000039102733 168527014 /nfs/dbraw/zinc/52/70/14/168527014.db2.gz TTXJXOUHHXEYNB-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN CCCCOCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000040506185 168901690 /nfs/dbraw/zinc/90/16/90/168901690.db2.gz LSEKBXJOECWEIR-ZDUSSCGKSA-N 0 3 246.354 3.026 20 30 BGEDHN CCCCOCCN[C@H](C)c1ccc(C#N)cc1 ZINC000040506188 373354788 /nfs/dbraw/zinc/35/47/88/373354788.db2.gz LSEKBXJOECWEIR-CYBMUJFWSA-N 0 3 246.354 3.026 20 30 BGEDHN CCCCOCCN[C@@H](C)c1cccc(C#N)c1 ZINC000040506961 373354934 /nfs/dbraw/zinc/35/49/34/373354934.db2.gz MHYUTEUVWWWNMQ-ZDUSSCGKSA-N 0 3 246.354 3.026 20 30 BGEDHN CCCCOCCN[C@H](C)c1cccc(C#N)c1 ZINC000040506962 373355211 /nfs/dbraw/zinc/35/52/11/373355211.db2.gz MHYUTEUVWWWNMQ-CYBMUJFWSA-N 0 3 246.354 3.026 20 30 BGEDHN C[C@@H](C1CC1)N(Cc1ccccc1C#N)C1CC1 ZINC000042123273 374250093 /nfs/dbraw/zinc/25/00/93/374250093.db2.gz ZOPUUSCOMFYZLV-LBPRGKRZSA-N 0 3 240.350 3.321 20 30 BGEDHN C[C@H](C1CC1)N(Cc1ccccc1C#N)C1CC1 ZINC000042123274 374250498 /nfs/dbraw/zinc/25/04/98/374250498.db2.gz ZOPUUSCOMFYZLV-GFCCVEGCSA-N 0 3 240.350 3.321 20 30 BGEDHN CC1(NCc2ccc(C#N)cc2F)CCCC1 ZINC000042187315 168063437 /nfs/dbraw/zinc/06/34/37/168063437.db2.gz PKLOAKDMLMLJSZ-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN N#CCCCCNCc1ccccc1Cl ZINC000042222342 384776196 /nfs/dbraw/zinc/77/61/96/384776196.db2.gz BRMWXXJUMAETGY-UHFFFAOYSA-N 0 3 222.719 3.123 20 30 BGEDHN C=C(Cl)CNCCc1ccc(Cl)cc1 ZINC000042222572 637085475 /nfs/dbraw/zinc/08/54/75/637085475.db2.gz ODTMKRICZWVBQD-UHFFFAOYSA-N 0 3 230.138 3.225 20 30 BGEDHN CCCN(Cc1ccccc1C#N)CC1CC1 ZINC000042223087 169177878 /nfs/dbraw/zinc/17/78/78/169177878.db2.gz VUDMRURCWJADLW-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CN(CCCC#N)Cc1cccc(Cl)c1 ZINC000042224086 344448013 /nfs/dbraw/zinc/44/80/13/344448013.db2.gz PPDXZGTZQZCQBR-UHFFFAOYSA-N 0 3 222.719 3.076 20 30 BGEDHN CN(CCCCC#N)Cc1ccccc1Cl ZINC000042224164 342995494 /nfs/dbraw/zinc/99/54/94/342995494.db2.gz DDDJIQGAJGXZAI-UHFFFAOYSA-N 0 3 236.746 3.466 20 30 BGEDHN C[C@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000042224677 490381847 /nfs/dbraw/zinc/38/18/47/490381847.db2.gz JBFQAHUFINXGIO-JTQLQIEISA-N 0 3 222.719 3.294 20 30 BGEDHN C[C@@H](NCCCC#N)c1ccc(Cl)cc1 ZINC000042224679 490381698 /nfs/dbraw/zinc/38/16/98/490381698.db2.gz JBFQAHUFINXGIO-SNVBAGLBSA-N 0 3 222.719 3.294 20 30 BGEDHN C[C@H](NCCCCC#N)c1ccccc1F ZINC000042224828 487691300 /nfs/dbraw/zinc/69/13/00/487691300.db2.gz GCPZYJAGXBOLGV-NSHDSACASA-N 0 3 220.291 3.170 20 30 BGEDHN C[C@@H](NCCCCC#N)c1ccccc1F ZINC000042224830 487691377 /nfs/dbraw/zinc/69/13/77/487691377.db2.gz GCPZYJAGXBOLGV-LLVKDONJSA-N 0 3 220.291 3.170 20 30 BGEDHN C[C@@H](c1cccs1)N(C)CCCC#N ZINC000042227115 176033389 /nfs/dbraw/zinc/03/33/89/176033389.db2.gz GPXDWQSZCVDRJQ-JTQLQIEISA-N 0 3 208.330 3.045 20 30 BGEDHN C[C@H](c1cccs1)N(C)CCCC#N ZINC000042227118 177048913 /nfs/dbraw/zinc/04/89/13/177048913.db2.gz GPXDWQSZCVDRJQ-SNVBAGLBSA-N 0 3 208.330 3.045 20 30 BGEDHN CCCN(Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042238740 169172785 /nfs/dbraw/zinc/17/27/85/169172785.db2.gz QNKCRPWLWKIBCY-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CCCN(Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042238741 169175466 /nfs/dbraw/zinc/17/54/66/169175466.db2.gz YBXYLBSUTUKGFS-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CCCCN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000042240500 388275206 /nfs/dbraw/zinc/27/52/06/388275206.db2.gz ILCXHHVXQZPHPT-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CCCCN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000042240501 388275075 /nfs/dbraw/zinc/27/50/75/388275075.db2.gz MEMGJKWQSMFHBD-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC(C)CCN(C)Cc1cc(C#N)ccc1F ZINC000042250746 398331089 /nfs/dbraw/zinc/33/10/89/398331089.db2.gz BGKMFHVJAPMZLO-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CC(C)N(Cc1ccccc1C#N)CC1CC1 ZINC000042253422 187265875 /nfs/dbraw/zinc/26/58/75/187265875.db2.gz OYJIBFRMGGZCCM-UHFFFAOYSA-N 0 3 228.339 3.179 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042253475 398331013 /nfs/dbraw/zinc/33/10/13/398331013.db2.gz PYZQAZYQZDOLAB-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)N(Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042253479 374259071 /nfs/dbraw/zinc/25/90/71/374259071.db2.gz CDPSDJTXYSWFTD-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN N#CCCCN(Cc1cccs1)C1CC1 ZINC000042270184 187291266 /nfs/dbraw/zinc/29/12/66/187291266.db2.gz DWSSLVIAPWJIQO-UHFFFAOYSA-N 0 3 220.341 3.016 20 30 BGEDHN CCN(C[C@@H](C)C#N)CC1CCCCC1 ZINC000042287689 342998257 /nfs/dbraw/zinc/99/82/57/342998257.db2.gz ZIGUZJKRNUSCGS-LBPRGKRZSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(C[C@H](C)C#N)CC1CCCCC1 ZINC000042287691 368302347 /nfs/dbraw/zinc/30/23/47/368302347.db2.gz ZIGUZJKRNUSCGS-GFCCVEGCSA-N 0 3 208.349 3.048 20 30 BGEDHN CC(C)CCN(C)Cc1ccc(C#N)cc1F ZINC000042338316 342772384 /nfs/dbraw/zinc/77/23/84/342772384.db2.gz QKASPXAQSPSDEB-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042338338 388087720 /nfs/dbraw/zinc/08/77/20/388087720.db2.gz RECQCJSMKDWMHI-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000042338340 388087777 /nfs/dbraw/zinc/08/77/77/388087777.db2.gz ZYMSWSCBEXLHJF-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@@H](CC#N)NCCc1ccc(Cl)cc1 ZINC000042396352 358522705 /nfs/dbraw/zinc/52/27/05/358522705.db2.gz VKNRTCCVAGEIGF-ZDUSSCGKSA-N 0 3 236.746 3.164 20 30 BGEDHN CC[C@H](CC#N)NCCc1ccc(Cl)cc1 ZINC000042396356 358522692 /nfs/dbraw/zinc/52/26/92/358522692.db2.gz VKNRTCCVAGEIGF-CYBMUJFWSA-N 0 3 236.746 3.164 20 30 BGEDHN CN(CC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000042492955 342777015 /nfs/dbraw/zinc/77/70/15/342777015.db2.gz 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BGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccccc1 ZINC000044482631 384337038 /nfs/dbraw/zinc/33/70/38/384337038.db2.gz JWLCMCLHSUZNMN-HIFRSBDPSA-N 0 3 230.355 3.290 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccccc1 ZINC000044482632 384336139 /nfs/dbraw/zinc/33/61/39/384336139.db2.gz JWLCMCLHSUZNMN-UKRRQHHQSA-N 0 3 230.355 3.290 20 30 BGEDHN CC(C)CN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000044898400 343010699 /nfs/dbraw/zinc/01/06/99/343010699.db2.gz MXOAXPJGHBSTDC-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000045004335 368424087 /nfs/dbraw/zinc/42/40/87/368424087.db2.gz OYVGMNMQCJQIKZ-ZDUSSCGKSA-N 0 3 247.338 3.027 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004336 368424162 /nfs/dbraw/zinc/42/41/62/368424162.db2.gz OYVGMNMQCJQIKZ-CYBMUJFWSA-N 0 3 247.338 3.027 20 30 BGEDHN C=C(C)CN(Cc1cccs1)C1CC1 ZINC000045007012 352660706 /nfs/dbraw/zinc/66/07/06/352660706.db2.gz FCOHCDCLKDRKCY-UHFFFAOYSA-N 0 3 207.342 3.289 20 30 BGEDHN CC(C)c1ccc(CNCCCC#N)cc1 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/nfs/dbraw/zinc/03/46/70/636034670.db2.gz GXEAJRCTPSTQCK-SECBINFHSA-N 0 3 215.749 3.021 20 30 BGEDHN Cc1ccc([C@@H](C)NCCCC#N)s1 ZINC000049183524 384525101 /nfs/dbraw/zinc/52/51/01/384525101.db2.gz OHWWLTYSJRVZJR-SNVBAGLBSA-N 0 3 208.330 3.011 20 30 BGEDHN Cc1ccc([C@H](C)NCCCC#N)s1 ZINC000049183526 133468732 /nfs/dbraw/zinc/46/87/32/133468732.db2.gz OHWWLTYSJRVZJR-JTQLQIEISA-N 0 3 208.330 3.011 20 30 BGEDHN Cc1cc([C@@H](C)NCCCC#N)c(C)s1 ZINC000049507381 133468887 /nfs/dbraw/zinc/46/88/87/133468887.db2.gz LGUPPBBWUVKSIT-SNVBAGLBSA-N 0 3 222.357 3.319 20 30 BGEDHN Cc1cc([C@H](C)NCCCC#N)c(C)s1 ZINC000049507383 383918857 /nfs/dbraw/zinc/91/88/57/383918857.db2.gz LGUPPBBWUVKSIT-JTQLQIEISA-N 0 3 222.357 3.319 20 30 BGEDHN CC[C@H](NCCCC#N)c1cccs1 ZINC000049530751 383938343 /nfs/dbraw/zinc/93/83/43/383938343.db2.gz KDVDJQLCNAXCBO-JTQLQIEISA-N 0 3 208.330 3.093 20 30 BGEDHN CC[C@@H](NCCCC#N)c1cccs1 ZINC000049530752 344649220 /nfs/dbraw/zinc/64/92/20/344649220.db2.gz KDVDJQLCNAXCBO-SNVBAGLBSA-N 0 3 208.330 3.093 20 30 BGEDHN CCCC1CCC(NC[C@@H](C)C#N)CC1 ZINC000049545268 343110943 /nfs/dbraw/zinc/11/09/43/343110943.db2.gz VBFGLMFWLOWCKZ-HIFPTAJRSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC1CCC(NC[C@H](C)C#N)CC1 ZINC000049545270 343111015 /nfs/dbraw/zinc/11/10/15/343111015.db2.gz VBFGLMFWLOWCKZ-PNESKVBLSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCCCCN(CCC#N)CC(C)C ZINC000049800721 631915186 /nfs/dbraw/zinc/91/51/86/631915186.db2.gz XDPDPOIDZMXKAS-UHFFFAOYSA-N 0 3 210.365 3.438 20 30 BGEDHN CC(C)CN(CCC#N)CCC(C)(C)C ZINC000049800742 643442252 /nfs/dbraw/zinc/44/22/52/643442252.db2.gz GYDQWOQDGJHPDW-UHFFFAOYSA-N 0 3 210.365 3.294 20 30 BGEDHN C=C(C)CNCc1cccc(C(F)(F)F)c1 ZINC000049801744 386657029 /nfs/dbraw/zinc/65/70/29/386657029.db2.gz RTYLASJUVFUOID-UHFFFAOYSA-N 0 3 229.245 3.371 20 30 BGEDHN C[C@@H]1c2ccsc2CCN1CCCCC#N ZINC000049900873 384580266 /nfs/dbraw/zinc/58/02/66/384580266.db2.gz GUOSGURBNASAFB-LLVKDONJSA-N 0 3 234.368 3.361 20 30 BGEDHN C[C@H]1c2ccsc2CCN1CCCCC#N ZINC000049900874 384577549 /nfs/dbraw/zinc/57/75/49/384577549.db2.gz GUOSGURBNASAFB-NSHDSACASA-N 0 3 234.368 3.361 20 30 BGEDHN C=C(C)CN(Cc1ccc(OC)cc1)C1CC1 ZINC000049975063 188258914 /nfs/dbraw/zinc/25/89/14/188258914.db2.gz ZSYDJLFXFGIFFC-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCN(CC(=C)C)Cc1cccs1 ZINC000050274352 358722410 /nfs/dbraw/zinc/72/24/10/358722410.db2.gz UEXCTBUDCFXZFX-UHFFFAOYSA-N 0 3 207.342 3.312 20 30 BGEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccsc1 ZINC000050343645 344675471 /nfs/dbraw/zinc/67/54/71/344675471.db2.gz HTNAYYMWDIXCCM-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccsc1 ZINC000050343647 344675451 /nfs/dbraw/zinc/67/54/51/344675451.db2.gz HTNAYYMWDIXCCM-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccsc1 ZINC000050343650 387794305 /nfs/dbraw/zinc/79/43/05/387794305.db2.gz CRMUGSDUXHNWCY-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccsc1 ZINC000050343653 387793233 /nfs/dbraw/zinc/79/32/33/387793233.db2.gz CRMUGSDUXHNWCY-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN CC(C)(C)C1CCN(CCCC#N)CC1 ZINC000050346954 344783800 /nfs/dbraw/zinc/78/38/00/344783800.db2.gz VZXNVWOEPFXADP-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC[C@@H](CC)NCc1ccc(C#N)cc1F ZINC000050404772 169379094 /nfs/dbraw/zinc/37/90/94/169379094.db2.gz OQAHVJGDGYNSPA-CYBMUJFWSA-N 0 3 234.318 3.366 20 30 BGEDHN CCC[C@@H](CC)NCc1cc(C#N)ccc1F ZINC000050404777 169379752 /nfs/dbraw/zinc/37/97/52/169379752.db2.gz IFGXDEWYZOIWTK-CYBMUJFWSA-N 0 3 234.318 3.366 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508305 358733398 /nfs/dbraw/zinc/73/33/98/358733398.db2.gz JVDKAJAUZJWOJI-NSHDSACASA-N 0 3 234.299 3.164 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508308 358733694 /nfs/dbraw/zinc/73/36/94/358733694.db2.gz JVDKAJAUZJWOJI-LLVKDONJSA-N 0 3 234.299 3.164 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccccc2C#N)[C@@H]1C ZINC000050564730 134664773 /nfs/dbraw/zinc/66/47/73/134664773.db2.gz USINHMQHTLNKCF-CHWSQXEVSA-N 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3.366 20 30 BGEDHN CCCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000050888908 345588513 /nfs/dbraw/zinc/58/85/13/345588513.db2.gz NOTJNXUOSQAEIR-NSHDSACASA-N 0 3 234.318 3.366 20 30 BGEDHN CN(Cc1ccccc1C#N)C(C1CC1)C1CC1 ZINC000050989153 350505512 /nfs/dbraw/zinc/50/55/12/350505512.db2.gz WLZITFICUIJVGA-UHFFFAOYSA-N 0 3 240.350 3.179 20 30 BGEDHN C=C(Br)CN(C)C(C1CC1)C1CC1 ZINC000051558017 711826378 /nfs/dbraw/zinc/82/63/78/711826378.db2.gz ZOZOLEOVUREOEH-UHFFFAOYSA-N 0 3 244.176 3.015 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc([N+](=O)[O-])c1C ZINC000051559859 343118018 /nfs/dbraw/zinc/11/80/18/343118018.db2.gz LPLRKRJFKWBMSX-UHFFFAOYSA-N 0 3 248.326 3.301 20 30 BGEDHN CC[C@H](NCCCC#N)c1ccccc1 ZINC000051628224 384717695 /nfs/dbraw/zinc/71/76/95/384717695.db2.gz FKIJPDKGLZPNIY-ZDUSSCGKSA-N 0 3 202.301 3.031 20 30 BGEDHN CC[C@@H](NCCCC#N)c1ccccc1 ZINC000051628226 384717193 /nfs/dbraw/zinc/71/71/93/384717193.db2.gz FKIJPDKGLZPNIY-CYBMUJFWSA-N 0 3 202.301 3.031 20 30 BGEDHN CC#CCN[C@H](C)c1cccc(Cl)c1 ZINC000051663365 385874835 /nfs/dbraw/zinc/87/48/35/385874835.db2.gz HUXVJAGJBKIKLJ-SNVBAGLBSA-N 0 3 207.704 3.014 20 30 BGEDHN CC#CCN[C@@H](C)c1cc(C)sc1C ZINC000051663549 358756916 /nfs/dbraw/zinc/75/69/16/358756916.db2.gz RSTFNFFFQGIUTQ-JTQLQIEISA-N 0 3 207.342 3.039 20 30 BGEDHN CC#CCN[C@H](C)c1cc(C)sc1C ZINC000051663551 350021618 /nfs/dbraw/zinc/02/16/18/350021618.db2.gz RSTFNFFFQGIUTQ-SNVBAGLBSA-N 0 3 207.342 3.039 20 30 BGEDHN CC#CCN[C@@H](C)c1ccc(Cl)cc1 ZINC000051663560 322851467 /nfs/dbraw/zinc/85/14/67/322851467.db2.gz RZBURWPTHPCDFC-JTQLQIEISA-N 0 3 207.704 3.014 20 30 BGEDHN CC#CCN[C@H](C)c1ccc(Cl)cc1 ZINC000051663562 322851528 /nfs/dbraw/zinc/85/15/28/322851528.db2.gz RZBURWPTHPCDFC-SNVBAGLBSA-N 0 3 207.704 3.014 20 30 BGEDHN C[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000051731802 176176649 /nfs/dbraw/zinc/17/66/49/176176649.db2.gz ZVIZBNLHZXCTPO-CHWSQXEVSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000051731805 387402015 /nfs/dbraw/zinc/40/20/15/387402015.db2.gz UIEANQYKEWSIMG-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000051731816 176175325 /nfs/dbraw/zinc/17/53/25/176175325.db2.gz FQFWVFDDBHDQLG-CHWSQXEVSA-N 0 3 228.339 3.179 20 30 BGEDHN C=C(C)CNCc1ccc(Br)s1 ZINC000051753370 384826139 /nfs/dbraw/zinc/82/61/39/384826139.db2.gz DBMSWTHTYQDOSX-UHFFFAOYSA-N 0 3 246.173 3.176 20 30 BGEDHN C=C(C)CNCc1cccc(Br)c1 ZINC000051753445 384824012 /nfs/dbraw/zinc/82/40/12/384824012.db2.gz KUFYFZWBPWEBTP-UHFFFAOYSA-N 0 3 240.144 3.115 20 30 BGEDHN C=C(C)CNCc1ccc(C(C)C)cc1 ZINC000051753608 384702122 /nfs/dbraw/zinc/70/21/22/384702122.db2.gz XZOCYRORXLWCHT-UHFFFAOYSA-N 0 3 203.329 3.476 20 30 BGEDHN CC[C@@H](CC#N)NCCC1=CCCCC1 ZINC000051756328 343259910 /nfs/dbraw/zinc/25/99/10/343259910.db2.gz ZSHCXHXGPZFJSC-ZDUSSCGKSA-N 0 3 206.333 3.159 20 30 BGEDHN CC[C@H](CC#N)NCCC1=CCCCC1 ZINC000051756330 343259977 /nfs/dbraw/zinc/25/99/77/343259977.db2.gz ZSHCXHXGPZFJSC-CYBMUJFWSA-N 0 3 206.333 3.159 20 30 BGEDHN N#Cc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000051790042 322853404 /nfs/dbraw/zinc/85/34/04/322853404.db2.gz ZJQPNINDQQTDMM-QPJJXVBHSA-N 0 3 248.329 3.361 20 30 BGEDHN N#Cc1cccc(CNC/C=C/c2ccccc2)c1 ZINC000051790044 387418492 /nfs/dbraw/zinc/41/84/92/387418492.db2.gz RTDFFRJXXLSWFO-BJMVGYQFSA-N 0 3 248.329 3.361 20 30 BGEDHN Cc1ccccc1CNCC#Cc1ccccc1 ZINC000051814174 631942960 /nfs/dbraw/zinc/94/29/60/631942960.db2.gz ZWMRBSSLLVYHCZ-UHFFFAOYSA-N 0 3 235.330 3.136 20 30 BGEDHN Cc1cccc(CNCC#Cc2ccccc2)c1 ZINC000051814175 636025274 /nfs/dbraw/zinc/02/52/74/636025274.db2.gz QAEZYUPDMDSDKP-UHFFFAOYSA-N 0 3 235.330 3.136 20 30 BGEDHN Cc1ccc(CNCC#Cc2ccccc2)s1 ZINC000051814421 631937318 /nfs/dbraw/zinc/93/73/18/631937318.db2.gz JAIUIUMLLXSXDK-UHFFFAOYSA-N 0 3 241.359 3.198 20 30 BGEDHN N#CCCCN1CCC[C@H]1c1ccsc1 ZINC000051852865 386780544 /nfs/dbraw/zinc/78/05/44/386780544.db2.gz PAYKUFHMZBRRHV-LBPRGKRZSA-N 0 3 220.341 3.189 20 30 BGEDHN N#CCCCN1CCC[C@@H]1c1ccsc1 ZINC000051852866 386780586 /nfs/dbraw/zinc/78/05/86/386780586.db2.gz PAYKUFHMZBRRHV-GFCCVEGCSA-N 0 3 220.341 3.189 20 30 BGEDHN CCCN(CCCC#N)Cc1ccc(C#N)cc1 ZINC000051855244 350864333 /nfs/dbraw/zinc/86/43/33/350864333.db2.gz LUKXPYGMYVJVEE-UHFFFAOYSA-N 0 3 241.338 3.074 20 30 BGEDHN CCN(CCCC#N)Cc1cccc(Cl)c1 ZINC000051906664 384701097 /nfs/dbraw/zinc/70/10/97/384701097.db2.gz PBKNSHWVQFQDOW-UHFFFAOYSA-N 0 3 236.746 3.466 20 30 BGEDHN C#CCN(Cc1cccc(Cl)c1)C(C)C ZINC000051906931 640610931 /nfs/dbraw/zinc/61/09/31/640610931.db2.gz QWWFCEKWRZHLBY-UHFFFAOYSA-N 0 3 221.731 3.184 20 30 BGEDHN Cc1ccc([C@@H](C)N(C)CCCC#N)cc1 ZINC000051907072 350870011 /nfs/dbraw/zinc/87/00/11/350870011.db2.gz ATTCIYISUCFSJJ-CYBMUJFWSA-N 0 3 216.328 3.292 20 30 BGEDHN Cc1ccc([C@H](C)N(C)CCCC#N)cc1 ZINC000051907074 350869827 /nfs/dbraw/zinc/86/98/27/350869827.db2.gz ATTCIYISUCFSJJ-ZDUSSCGKSA-N 0 3 216.328 3.292 20 30 BGEDHN C=CCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051991952 350884225 /nfs/dbraw/zinc/88/42/25/350884225.db2.gz OLUBLHDSFRIFIQ-UHFFFAOYSA-N 0 3 245.366 3.333 20 30 BGEDHN C=CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052012011 358771600 /nfs/dbraw/zinc/77/16/00/358771600.db2.gz RCFKTNOFXLRLNN-CQSZACIVSA-N 0 3 219.303 3.019 20 30 BGEDHN C=CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000052012014 358771611 /nfs/dbraw/zinc/77/16/11/358771611.db2.gz RCFKTNOFXLRLNN-AWEZNQCLSA-N 0 3 219.303 3.019 20 30 BGEDHN N#CCCCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000052035045 491105780 /nfs/dbraw/zinc/10/57/80/491105780.db2.gz MEUYBXBMEHTWIS-HNNXBMFYSA-N 0 3 246.329 3.136 20 30 BGEDHN N#CCCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052035048 491105798 /nfs/dbraw/zinc/10/57/98/491105798.db2.gz MEUYBXBMEHTWIS-OAHLLOKOSA-N 0 3 246.329 3.136 20 30 BGEDHN C=CCN(Cc1cccc(C)c1)C1CC1 ZINC000052046976 358772418 /nfs/dbraw/zinc/77/24/18/358772418.db2.gz YZPWBZQTSRTLBJ-UHFFFAOYSA-N 0 3 201.313 3.145 20 30 BGEDHN C=CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000052047902 350924824 /nfs/dbraw/zinc/92/48/24/350924824.db2.gz NTVAPSGNWQHNAE-UHFFFAOYSA-N 0 3 229.245 3.323 20 30 BGEDHN N#CCCCNCc1cccc2ccccc21 ZINC000052061809 384714506 /nfs/dbraw/zinc/71/45/06/384714506.db2.gz WZPXZFBIUBPHSW-UHFFFAOYSA-N 0 3 224.307 3.233 20 30 BGEDHN C=CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000052075728 350931542 /nfs/dbraw/zinc/93/15/42/350931542.db2.gz QCKBRIRHXCBSAQ-UHFFFAOYSA-N 0 3 221.731 3.490 20 30 BGEDHN C=CCN(Cc1ccco1)C1CCCC1 ZINC000052077083 350932521 /nfs/dbraw/zinc/93/25/21/350932521.db2.gz CKQQOYCRWDGKQZ-UHFFFAOYSA-N 0 3 205.301 3.210 20 30 BGEDHN N#CCCCN(Cc1ccco1)C1CCCC1 ZINC000052077199 350932469 /nfs/dbraw/zinc/93/24/69/350932469.db2.gz AUBLTEXYLYCVEV-UHFFFAOYSA-N 0 3 232.327 3.328 20 30 BGEDHN CCC1CCC(N(CCC#N)C2CC2)CC1 ZINC000052103563 358773347 /nfs/dbraw/zinc/77/33/47/358773347.db2.gz KQSOYRCQNBKXQK-UHFFFAOYSA-N 0 3 220.360 3.333 20 30 BGEDHN C=C(C)CN(Cc1cccc(F)c1)C1CC1 ZINC000052161569 358774266 /nfs/dbraw/zinc/77/42/66/358774266.db2.gz FZJDYGMBOQGKNF-UHFFFAOYSA-N 0 3 219.303 3.366 20 30 BGEDHN C=C(C)CN(Cc1ccccc1OC)C1CC1 ZINC000052182783 358775214 /nfs/dbraw/zinc/77/52/14/358775214.db2.gz WPXPQFFXGDJMOU-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)C1CCCCC1 ZINC000052337452 346314924 /nfs/dbraw/zinc/31/49/24/346314924.db2.gz FWLQOWSROJRDQD-AAEUAGOBSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)C1CCCCC1 ZINC000052337455 346314895 /nfs/dbraw/zinc/31/48/95/346314895.db2.gz FWLQOWSROJRDQD-WCQYABFASA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)C1CCCCC1 ZINC000052337457 346315297 /nfs/dbraw/zinc/31/52/97/346315297.db2.gz FWLQOWSROJRDQD-YPMHNXCESA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)C1CCCCC1 ZINC000052337459 346314993 /nfs/dbraw/zinc/31/49/93/346314993.db2.gz FWLQOWSROJRDQD-DGCLKSJQSA-N 0 3 208.349 3.237 20 30 BGEDHN C=CCN(C)CCCOc1ccc(Cl)cc1 ZINC000052450883 398193249 /nfs/dbraw/zinc/19/32/49/398193249.db2.gz GKYDYGKTPVBDLM-UHFFFAOYSA-N 0 3 239.746 3.227 20 30 BGEDHN C=CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000052455245 323193368 /nfs/dbraw/zinc/19/33/68/323193368.db2.gz OIOCRQPQWYKMQW-CYBMUJFWSA-N 0 3 205.276 3.149 20 30 BGEDHN C=CCN1CCC[C@H]1c1cccc(F)c1 ZINC000052455247 353200919 /nfs/dbraw/zinc/20/09/19/353200919.db2.gz OIOCRQPQWYKMQW-ZDUSSCGKSA-N 0 3 205.276 3.149 20 30 BGEDHN N#CCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000052455782 134384909 /nfs/dbraw/zinc/38/49/09/134384909.db2.gz ZYBUKMLLWKCYLN-AWEZNQCLSA-N 0 3 232.302 3.266 20 30 BGEDHN N#CCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000052455783 134385016 /nfs/dbraw/zinc/38/50/16/134385016.db2.gz ZYBUKMLLWKCYLN-CQSZACIVSA-N 0 3 232.302 3.266 20 30 BGEDHN C=CCN(C)CCCOc1cccc(Cl)c1 ZINC000052458033 350948981 /nfs/dbraw/zinc/94/89/81/350948981.db2.gz FOXMDKMEAPYVIQ-UHFFFAOYSA-N 0 3 239.746 3.227 20 30 BGEDHN C=C(C)CN(C)CCOc1ccc(Cl)cc1 ZINC000052659129 358218733 /nfs/dbraw/zinc/21/87/33/358218733.db2.gz ISYIQRVHULXBTJ-UHFFFAOYSA-N 0 3 239.746 3.227 20 30 BGEDHN CCN(CCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000052705940 358791731 /nfs/dbraw/zinc/79/17/31/358791731.db2.gz WPOQDFSAERMTNC-ZDUSSCGKSA-N 0 3 246.354 3.382 20 30 BGEDHN CCN(CCCC#N)[C@H](C)c1cccc(OC)c1 ZINC000052705943 358791655 /nfs/dbraw/zinc/79/16/55/358791655.db2.gz WPOQDFSAERMTNC-CYBMUJFWSA-N 0 3 246.354 3.382 20 30 BGEDHN C=CCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000052706276 323194807 /nfs/dbraw/zinc/19/48/07/323194807.db2.gz RJTKAGFJAJVMCZ-LBPRGKRZSA-N 0 3 219.328 3.264 20 30 BGEDHN C=CCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000052706279 323194765 /nfs/dbraw/zinc/19/47/65/323194765.db2.gz RJTKAGFJAJVMCZ-GFCCVEGCSA-N 0 3 219.328 3.264 20 30 BGEDHN C=C(C)CN(C)CCOc1ccccc1Cl ZINC000052711261 358223202 /nfs/dbraw/zinc/22/32/02/358223202.db2.gz GYCRULGLGISREF-UHFFFAOYSA-N 0 3 239.746 3.227 20 30 BGEDHN C=CCN(CC=C)CCCc1ccccc1 ZINC000052868122 166335338 /nfs/dbraw/zinc/33/53/38/166335338.db2.gz IEXGAPQPGSXPAY-UHFFFAOYSA-N 0 3 215.340 3.293 20 30 BGEDHN C=CCN(CC=C)Cc1cccc(C)c1 ZINC000052868554 358789732 /nfs/dbraw/zinc/78/97/32/358789732.db2.gz KTNRODDXUOECGZ-UHFFFAOYSA-N 0 3 201.313 3.169 20 30 BGEDHN C=CCN(CC=C)Cc1ccccc1C ZINC000052869103 351074737 /nfs/dbraw/zinc/07/47/37/351074737.db2.gz KTJPXTWFFPGCNW-UHFFFAOYSA-N 0 3 201.313 3.169 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCC)c(OC)c1 ZINC000052892034 358798739 /nfs/dbraw/zinc/79/87/39/358798739.db2.gz VHJVGXSIHFSULM-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCC)cc1 ZINC000052892049 358798066 /nfs/dbraw/zinc/79/80/66/358798066.db2.gz YZBYYAQGAUZEAX-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(CC)cc1 ZINC000052895808 487936344 /nfs/dbraw/zinc/93/63/44/487936344.db2.gz FKNHSIKVPBUWAK-UHFFFAOYSA-N 0 3 203.329 3.257 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC(F)F)cc1 ZINC000052920998 355813003 /nfs/dbraw/zinc/81/30/03/355813003.db2.gz DWQNQNKCBWEWER-UHFFFAOYSA-N 0 3 241.281 3.296 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(Cl)c1 ZINC000052921004 355812864 /nfs/dbraw/zinc/81/28/64/355812864.db2.gz CKGSWLBZEMFZLT-UHFFFAOYSA-N 0 3 209.720 3.348 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(Cl)cc1 ZINC000052921239 488022872 /nfs/dbraw/zinc/02/28/72/488022872.db2.gz IDKBZNAUSDCVII-UHFFFAOYSA-N 0 3 209.720 3.348 20 30 BGEDHN C=CCOc1ccc(CN(C)CC(=C)C)cc1 ZINC000052921243 488023088 /nfs/dbraw/zinc/02/30/88/488023088.db2.gz ZDKYEKRLXASEQJ-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN CCCN(CCCC#N)Cc1ccccc1 ZINC000052922696 351078134 /nfs/dbraw/zinc/07/81/34/351078134.db2.gz QZKIDNOSHCMZQC-UHFFFAOYSA-N 0 3 216.328 3.202 20 30 BGEDHN C=CCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000053088719 358808022 /nfs/dbraw/zinc/80/80/22/358808022.db2.gz PVUCMENSHDVXGN-NSHDSACASA-N 0 3 207.292 3.395 20 30 BGEDHN C=CCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000053088721 358807975 /nfs/dbraw/zinc/80/79/75/358807975.db2.gz PVUCMENSHDVXGN-LLVKDONJSA-N 0 3 207.292 3.395 20 30 BGEDHN N#CCCCN1CCC[C@H]1c1cccs1 ZINC000053096102 134386381 /nfs/dbraw/zinc/38/63/81/134386381.db2.gz AKFNNVLTRHOJAY-NSHDSACASA-N 0 3 220.341 3.189 20 30 BGEDHN N#CCCCN1CCC[C@@H]1c1cccs1 ZINC000053096104 134386362 /nfs/dbraw/zinc/38/63/62/134386362.db2.gz AKFNNVLTRHOJAY-LLVKDONJSA-N 0 3 220.341 3.189 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(C)cc1C ZINC000053097068 487994916 /nfs/dbraw/zinc/99/49/16/487994916.db2.gz HMCKNQZOOUFLPE-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN C=C(Cl)CN(C)C1CCC(C)CC1 ZINC000053098907 632800234 /nfs/dbraw/zinc/80/02/34/632800234.db2.gz KHPOOVMYJFWTIK-UHFFFAOYSA-N 0 3 201.741 3.249 20 30 BGEDHN CC[C@@H]1c2ccsc2CCN1CCCC#N ZINC000053139585 358104901 /nfs/dbraw/zinc/10/49/01/358104901.db2.gz ZXBGHTIYJMKOHE-GFCCVEGCSA-N 0 3 234.368 3.361 20 30 BGEDHN CC[C@H]1c2ccsc2CCN1CCCC#N ZINC000053139590 343644231 /nfs/dbraw/zinc/64/42/31/343644231.db2.gz ZXBGHTIYJMKOHE-LBPRGKRZSA-N 0 3 234.368 3.361 20 30 BGEDHN C=CCN1CCc2sccc2[C@H]1CC ZINC000053139718 358812582 /nfs/dbraw/zinc/81/25/82/358812582.db2.gz ZXVMSOAFRWAZRE-LLVKDONJSA-N 0 3 207.342 3.243 20 30 BGEDHN C=CCN1CCc2sccc2[C@@H]1CC ZINC000053139723 358104839 /nfs/dbraw/zinc/10/48/39/358104839.db2.gz ZXVMSOAFRWAZRE-NSHDSACASA-N 0 3 207.342 3.243 20 30 BGEDHN C=C(C)CN(C)Cc1ccccc1N1CCCC1 ZINC000053144007 353246587 /nfs/dbraw/zinc/24/65/87/353246587.db2.gz RVGBRNLEFWAKNO-UHFFFAOYSA-N 0 3 244.382 3.295 20 30 BGEDHN C=C(C)CN(C)Cc1cc(C)ccc1OC ZINC000053149444 353246449 /nfs/dbraw/zinc/24/64/49/353246449.db2.gz IDIQVHWTLIIFAG-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN C=C(C)CN1CCc2sccc2[C@H]1C ZINC000053150780 358813757 /nfs/dbraw/zinc/81/37/57/358813757.db2.gz KGDHKGUUJZMTQO-SNVBAGLBSA-N 0 3 207.342 3.243 20 30 BGEDHN C=C(C)CN1CCc2sccc2[C@@H]1C ZINC000053150781 358813343 /nfs/dbraw/zinc/81/33/43/358813343.db2.gz KGDHKGUUJZMTQO-JTQLQIEISA-N 0 3 207.342 3.243 20 30 BGEDHN C[C@@H](c1ccc(F)cc1)N(C)CCCC#N ZINC000053422531 363280037 /nfs/dbraw/zinc/28/00/37/363280037.db2.gz NRAPYGOTWXKOAP-NSHDSACASA-N 0 3 220.291 3.122 20 30 BGEDHN C[C@H](c1ccc(F)cc1)N(C)CCCC#N ZINC000053422534 363279879 /nfs/dbraw/zinc/27/98/79/363279879.db2.gz NRAPYGOTWXKOAP-LLVKDONJSA-N 0 3 220.291 3.122 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000053422907 343118351 /nfs/dbraw/zinc/11/83/51/343118351.db2.gz MDKGOAZLGNNBFM-NSHDSACASA-N 0 3 207.292 3.395 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000053422910 343118637 /nfs/dbraw/zinc/11/86/37/343118637.db2.gz MDKGOAZLGNNBFM-LLVKDONJSA-N 0 3 207.292 3.395 20 30 BGEDHN C=CCCOCCNCc1ccc(Cl)s1 ZINC000053584864 346919370 /nfs/dbraw/zinc/91/93/70/346919370.db2.gz IQKBJYVGNRTNDI-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCN(Cc1cccs1)CC(C)C ZINC000053906608 166346509 /nfs/dbraw/zinc/34/65/09/166346509.db2.gz XVMYFBGQLSOZEP-UHFFFAOYSA-N 0 3 209.358 3.392 20 30 BGEDHN C=C(Cl)CN(C)C1CCCCCC1 ZINC000053906722 711738424 /nfs/dbraw/zinc/73/84/24/711738424.db2.gz ZDSQXKGJTZBCLL-UHFFFAOYSA-N 0 3 201.741 3.394 20 30 BGEDHN C[C@H](C#N)CNC1CCC(C(C)(C)C)CC1 ZINC000054179027 348890288 /nfs/dbraw/zinc/89/02/88/348890288.db2.gz NYZWOWFWPIDSKV-PNESKVBLSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](C#N)CNC1CCC(C(C)(C)C)CC1 ZINC000054179029 348890174 /nfs/dbraw/zinc/89/01/74/348890174.db2.gz NYZWOWFWPIDSKV-HIFPTAJRSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H](C#N)CNC1CCC(c2ccccc2)CC1 ZINC000054179248 348891254 /nfs/dbraw/zinc/89/12/54/348891254.db2.gz LZJTWKDVKAPFMG-IUDNXUCKSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@@H](C#N)CNC1CCC(c2ccccc2)CC1 ZINC000054179249 348890746 /nfs/dbraw/zinc/89/07/46/348890746.db2.gz LZJTWKDVKAPFMG-JEYLPNPQSA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)CC(CC(C)C)NC[C@@H](C)C#N ZINC000054179620 348891143 /nfs/dbraw/zinc/89/11/43/348891143.db2.gz RDRMPSKRWIAGLS-LBPRGKRZSA-N 0 3 210.365 3.196 20 30 BGEDHN CC(C)CC(CC(C)C)NC[C@H](C)C#N ZINC000054179621 348890990 /nfs/dbraw/zinc/89/09/90/348890990.db2.gz RDRMPSKRWIAGLS-GFCCVEGCSA-N 0 3 210.365 3.196 20 30 BGEDHN C[C@@H](C#N)CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000054181111 348896109 /nfs/dbraw/zinc/89/61/09/348896109.db2.gz XFVXOCMDTRCHTF-KBPBESRZSA-N 0 3 244.382 3.492 20 30 BGEDHN C[C@@H](C#N)CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000054181113 348896527 /nfs/dbraw/zinc/89/65/27/348896527.db2.gz XFVXOCMDTRCHTF-UONOGXRCSA-N 0 3 244.382 3.492 20 30 BGEDHN C[C@H](C#N)CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000054181115 348896296 /nfs/dbraw/zinc/89/62/96/348896296.db2.gz XFVXOCMDTRCHTF-KGLIPLIRSA-N 0 3 244.382 3.492 20 30 BGEDHN C[C@H](CC(C)(C)c1ccccc1)NC[C@H](C)C#N ZINC000054181116 348896050 /nfs/dbraw/zinc/89/60/50/348896050.db2.gz XFVXOCMDTRCHTF-ZIAGYGMSSA-N 0 3 244.382 3.492 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000054181200 348896477 /nfs/dbraw/zinc/89/64/77/348896477.db2.gz CUKPTVLLLUGOEF-FVQBIDKESA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000054181204 348896349 /nfs/dbraw/zinc/89/63/49/348896349.db2.gz CUKPTVLLLUGOEF-BMFZPTHFSA-N 0 3 242.366 3.462 20 30 BGEDHN Cc1cccc(CC[C@@H](C)NC[C@@H](C)C#N)c1 ZINC000054181712 348896367 /nfs/dbraw/zinc/89/63/67/348896367.db2.gz XVFPKKGIHSFMSB-UONOGXRCSA-N 0 3 230.355 3.065 20 30 BGEDHN C=CCN(CCC)Cc1ccc(OC)cc1 ZINC000054272501 358857098 /nfs/dbraw/zinc/85/70/98/358857098.db2.gz NCBRRPMNELCWAX-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCN(CC=C)Cc1cccc2cccnc21 ZINC000054316838 323204173 /nfs/dbraw/zinc/20/41/73/323204173.db2.gz XKKKNFGEORRECL-UHFFFAOYSA-N 0 3 238.334 3.409 20 30 BGEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054338190 358859097 /nfs/dbraw/zinc/85/90/97/358859097.db2.gz ASTHSDTVDYFYBZ-INIZCTEOSA-N 0 3 245.366 3.244 20 30 BGEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000054338199 358858930 /nfs/dbraw/zinc/85/89/30/358858930.db2.gz ASTHSDTVDYFYBZ-MRXNPFEDSA-N 0 3 245.366 3.244 20 30 BGEDHN C=CCN1CCC[C@H]1c1cccc(OC)c1 ZINC000054978889 363581816 /nfs/dbraw/zinc/58/18/16/363581816.db2.gz RHGMSUNAMLPFPD-AWEZNQCLSA-N 0 3 217.312 3.018 20 30 BGEDHN C=CCN1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978890 363581614 /nfs/dbraw/zinc/58/16/14/363581614.db2.gz RHGMSUNAMLPFPD-CQSZACIVSA-N 0 3 217.312 3.018 20 30 BGEDHN C=C(C)CN1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978913 359684837 /nfs/dbraw/zinc/68/48/37/359684837.db2.gz ZDKJOGQXYNVDKA-OAHLLOKOSA-N 0 3 231.339 3.408 20 30 BGEDHN C=C(C)CN1CCC[C@H]1c1cccc(OC)c1 ZINC000054978914 359684752 /nfs/dbraw/zinc/68/47/52/359684752.db2.gz ZDKJOGQXYNVDKA-HNNXBMFYSA-N 0 3 231.339 3.408 20 30 BGEDHN N#CCCCN1CCC[C@H]1c1ccccc1 ZINC000054993381 363583585 /nfs/dbraw/zinc/58/35/85/363583585.db2.gz SWOVAESWDCMJAI-AWEZNQCLSA-N 0 3 214.312 3.127 20 30 BGEDHN N#CCCCN1CCC[C@@H]1c1ccccc1 ZINC000054993382 363582856 /nfs/dbraw/zinc/58/28/56/363582856.db2.gz SWOVAESWDCMJAI-CQSZACIVSA-N 0 3 214.312 3.127 20 30 BGEDHN C[C@H](N(C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481876 388598725 /nfs/dbraw/zinc/59/87/25/388598725.db2.gz QQSLAKGOMVZCKT-LBPRGKRZSA-N 0 3 230.355 3.425 20 30 BGEDHN C[C@@H](N(C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481877 388598521 /nfs/dbraw/zinc/59/85/21/388598521.db2.gz QQSLAKGOMVZCKT-GFCCVEGCSA-N 0 3 230.355 3.425 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506128 363594005 /nfs/dbraw/zinc/59/40/05/363594005.db2.gz IAOQFYRJIALXID-CYBMUJFWSA-N 0 3 205.276 3.149 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000055506131 363594133 /nfs/dbraw/zinc/59/41/33/363594133.db2.gz IAOQFYRJIALXID-ZDUSSCGKSA-N 0 3 205.276 3.149 20 30 BGEDHN N#CCCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000055506461 363593601 /nfs/dbraw/zinc/59/36/01/363593601.db2.gz DQUIPQFPKKXRNX-AWEZNQCLSA-N 0 3 232.302 3.266 20 30 BGEDHN N#CCCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506463 363594992 /nfs/dbraw/zinc/59/49/92/363594992.db2.gz DQUIPQFPKKXRNX-CQSZACIVSA-N 0 3 232.302 3.266 20 30 BGEDHN N#CCCCN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908476 363605342 /nfs/dbraw/zinc/60/53/42/363605342.db2.gz NYNKHKRZVWONPV-HNNXBMFYSA-N 0 3 246.329 3.136 20 30 BGEDHN N#CCCCN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908477 363604891 /nfs/dbraw/zinc/60/48/91/363604891.db2.gz NYNKHKRZVWONPV-OAHLLOKOSA-N 0 3 246.329 3.136 20 30 BGEDHN Cc1cccc([C@@H]2CCCN2CCCC#N)c1 ZINC000055910354 363605096 /nfs/dbraw/zinc/60/50/96/363605096.db2.gz CJBHNQRVVAIMBT-HNNXBMFYSA-N 0 3 228.339 3.436 20 30 BGEDHN Cc1cccc([C@H]2CCCN2CCCC#N)c1 ZINC000055910355 363605649 /nfs/dbraw/zinc/60/56/49/363605649.db2.gz CJBHNQRVVAIMBT-OAHLLOKOSA-N 0 3 228.339 3.436 20 30 BGEDHN C=CCN(CC(=C)C)Cc1ccc(OC)cc1 ZINC000056291322 388097545 /nfs/dbraw/zinc/09/75/45/388097545.db2.gz KFVKEWQCJCVQJI-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN N#Cc1ccccc1CN(C1CC1)C1CCCC1 ZINC000057619722 351330795 /nfs/dbraw/zinc/33/07/95/351330795.db2.gz GIJUYMURQWAKIJ-UHFFFAOYSA-N 0 3 240.350 3.465 20 30 BGEDHN C=CCN(CCCCC#N)Cc1cccs1 ZINC000057621013 387141854 /nfs/dbraw/zinc/14/18/54/387141854.db2.gz YTTLNOQHUUGHDB-UHFFFAOYSA-N 0 3 234.368 3.430 20 30 BGEDHN C=C(C)CN(Cc1ccc(F)cc1)C1CC1 ZINC000057621120 358906215 /nfs/dbraw/zinc/90/62/15/358906215.db2.gz FQERWJLXCZULOL-UHFFFAOYSA-N 0 3 219.303 3.366 20 30 BGEDHN C#CCN(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621540 640626445 /nfs/dbraw/zinc/62/64/45/640626445.db2.gz KPNIAUKTASDEMF-UHFFFAOYSA-N 0 3 227.351 3.408 20 30 BGEDHN N#CCCN1CCC[C@H]1CC1CCCCC1 ZINC000057872068 358908336 /nfs/dbraw/zinc/90/83/36/358908336.db2.gz NZPXKXRJUAGZDJ-AWEZNQCLSA-N 0 3 220.360 3.335 20 30 BGEDHN N#CCCN1CCC[C@@H]1CC1CCCCC1 ZINC000057872071 358908408 /nfs/dbraw/zinc/90/84/08/358908408.db2.gz NZPXKXRJUAGZDJ-CQSZACIVSA-N 0 3 220.360 3.335 20 30 BGEDHN Cc1cc(C)c(CN2CCC(C#N)CC2)c(C)c1 ZINC000057872212 387144688 /nfs/dbraw/zinc/14/46/88/387144688.db2.gz CRFHJACEGCRQJL-UHFFFAOYSA-N 0 3 242.366 3.347 20 30 BGEDHN C[C@@H](CCc1ccccc1)N1CCC(C#N)CC1 ZINC000057872689 323936006 /nfs/dbraw/zinc/93/60/06/323936006.db2.gz HKXYMWKGZFIKFL-AWEZNQCLSA-N 0 3 242.366 3.243 20 30 BGEDHN C[C@H](CCc1ccccc1)N1CCC(C#N)CC1 ZINC000057872694 387146334 /nfs/dbraw/zinc/14/63/34/387146334.db2.gz HKXYMWKGZFIKFL-CQSZACIVSA-N 0 3 242.366 3.243 20 30 BGEDHN CC[C@@H](c1ccccc1)N1CCC(C#N)CC1 ZINC000057873036 387147525 /nfs/dbraw/zinc/14/75/25/387147525.db2.gz GFHKVSNYIOFOQV-HNNXBMFYSA-N 0 3 228.339 3.373 20 30 BGEDHN CC[C@H](c1ccccc1)N1CCC(C#N)CC1 ZINC000057873040 387147130 /nfs/dbraw/zinc/14/71/30/387147130.db2.gz GFHKVSNYIOFOQV-OAHLLOKOSA-N 0 3 228.339 3.373 20 30 BGEDHN N#CC1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000057875506 388369843 /nfs/dbraw/zinc/36/98/43/388369843.db2.gz AXBJLYBTUNVHGI-INIZCTEOSA-N 0 3 240.350 3.300 20 30 BGEDHN N#CC1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000057875512 323935327 /nfs/dbraw/zinc/93/53/27/323935327.db2.gz AXBJLYBTUNVHGI-MRXNPFEDSA-N 0 3 240.350 3.300 20 30 BGEDHN Cc1ccc(C)c(CN2CCC(C#N)CC2)c1 ZINC000057907786 387148587 /nfs/dbraw/zinc/14/85/87/387148587.db2.gz GCPDOVXFXUBZDY-UHFFFAOYSA-N 0 3 228.339 3.039 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(F)c1 ZINC000058013808 187360092 /nfs/dbraw/zinc/36/00/92/187360092.db2.gz JTZMAHZEQMZYJR-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=CCN(C)Cc1ccc(SC)c(OC)c1 ZINC000058528215 368514522 /nfs/dbraw/zinc/51/45/22/368514522.db2.gz IZNZZJVOHHJDAO-UHFFFAOYSA-N 0 3 237.368 3.035 20 30 BGEDHN N#CCCCNCc1ccc(C(F)(F)F)cc1 ZINC000059514977 343710101 /nfs/dbraw/zinc/71/01/01/343710101.db2.gz RMNAWIANKSBYMW-UHFFFAOYSA-N 0 3 242.244 3.099 20 30 BGEDHN C=C(C)CNCc1ccc(C(F)(F)F)cc1 ZINC000059514978 135531966 /nfs/dbraw/zinc/53/19/66/135531966.db2.gz ZMFCYQMKQNZLPS-UHFFFAOYSA-N 0 3 229.245 3.371 20 30 BGEDHN C=C(C)CN(CC)Cc1ncc(C)c(OC)c1C ZINC000060375685 358924699 /nfs/dbraw/zinc/92/46/99/358924699.db2.gz KBJHAQPWOAAUJL-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN N#CC(C(=O)CCC1CCCC1)c1ccccn1 ZINC000060477020 526505033 /nfs/dbraw/zinc/50/50/33/526505033.db2.gz ZQNMCYKJFZDPEI-ZDUSSCGKSA-N 0 3 242.322 3.228 20 30 BGEDHN C=CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477273 324036727 /nfs/dbraw/zinc/03/67/27/324036727.db2.gz BIYOZPNNPHMBFU-GFCCVEGCSA-N 0 3 214.312 3.127 20 30 BGEDHN CCN(CCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000060477421 324037060 /nfs/dbraw/zinc/03/70/60/324037060.db2.gz JEJNBHXNUWHHAK-CYBMUJFWSA-N 0 3 241.338 3.245 20 30 BGEDHN CCCN(CCC#N)CC1CCCCC1 ZINC000060495899 360478614 /nfs/dbraw/zinc/47/86/14/360478614.db2.gz DHIBWTREFATPOP-UHFFFAOYSA-N 0 3 208.349 3.192 20 30 BGEDHN CC[C@@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000060575335 369494980 /nfs/dbraw/zinc/49/49/80/369494980.db2.gz RAKUVFVWSOYLHJ-GFCCVEGCSA-N 0 3 241.338 3.041 20 30 BGEDHN Cc1cc(C)cc(CN2CCC(C#N)CC2)c1 ZINC000061040351 324055862 /nfs/dbraw/zinc/05/58/62/324055862.db2.gz HHDLYUMTPCRISD-UHFFFAOYSA-N 0 3 228.339 3.039 20 30 BGEDHN N#CCCCN[C@@H]1CCCc2sccc21 ZINC000061362568 181036500 /nfs/dbraw/zinc/03/65/00/181036500.db2.gz ROTVEGYODYCMNA-LLVKDONJSA-N 0 3 220.341 3.019 20 30 BGEDHN N#CCCCN[C@H]1CCCc2sccc21 ZINC000061362569 181036547 /nfs/dbraw/zinc/03/65/47/181036547.db2.gz ROTVEGYODYCMNA-NSHDSACASA-N 0 3 220.341 3.019 20 30 BGEDHN C=C(C)CNCc1ccccc1C(F)(F)F ZINC000061626620 353524207 /nfs/dbraw/zinc/52/42/07/353524207.db2.gz SDBHZWPMDWMIRJ-UHFFFAOYSA-N 0 3 229.245 3.371 20 30 BGEDHN N#CCCCNCc1ccccc1C(F)(F)F ZINC000061626731 134393556 /nfs/dbraw/zinc/39/35/56/134393556.db2.gz LZOGLYDDTUOLRM-UHFFFAOYSA-N 0 3 242.244 3.099 20 30 BGEDHN C=C(C)CN(CC)CCOc1ccccc1C ZINC000061758546 360397109 /nfs/dbraw/zinc/39/71/09/360397109.db2.gz JHFFNRJZVWBBCQ-UHFFFAOYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(C)ccc1OC ZINC000061758654 360397183 /nfs/dbraw/zinc/39/71/83/360397183.db2.gz SYFBRWXUNDGLJL-UHFFFAOYSA-N 0 3 233.355 3.402 20 30 BGEDHN C=C(C)CN(CC)CCOc1ccccc1F ZINC000061758664 343118664 /nfs/dbraw/zinc/11/86/64/343118664.db2.gz YGMWVMVMBMWNJD-UHFFFAOYSA-N 0 3 237.318 3.103 20 30 BGEDHN C=C(C)CN(CC)CCOc1cccc(C)c1 ZINC000061758702 343118602 /nfs/dbraw/zinc/11/86/02/343118602.db2.gz BPUOAZQGYRTJEX-UHFFFAOYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(OC)c(F)c1 ZINC000061758703 343118395 /nfs/dbraw/zinc/11/83/95/343118395.db2.gz FDODGGPPZXYIKT-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=C(C)CN(CC)CCOc1ccc(F)cc1 ZINC000061758705 343118348 /nfs/dbraw/zinc/11/83/48/343118348.db2.gz MIMNLTSRCHVOGM-UHFFFAOYSA-N 0 3 237.318 3.103 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(F)c(F)c1 ZINC000061758785 369844556 /nfs/dbraw/zinc/84/45/56/369844556.db2.gz WSDLHPVBOSWCSK-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=CCN(C)Cc1ccc(C(C)C)cc1 ZINC000061779759 343988636 /nfs/dbraw/zinc/98/86/36/343988636.db2.gz AVJCGBDLGNCVDQ-UHFFFAOYSA-N 0 3 203.329 3.428 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(OC)cc1 ZINC000061780798 368569706 /nfs/dbraw/zinc/56/97/06/368569706.db2.gz RTAFOTXQPAFTHY-AWEZNQCLSA-N 0 3 217.312 3.018 20 30 BGEDHN C=CCN(C)Cc1ccc(Br)cc1 ZINC000061781324 368570253 /nfs/dbraw/zinc/57/02/53/368570253.db2.gz CYIGDZFECKDYOZ-UHFFFAOYSA-N 0 3 240.144 3.067 20 30 BGEDHN C=CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000061782229 368569809 /nfs/dbraw/zinc/56/98/09/368569809.db2.gz RLJFVINGGHFNDT-UHFFFAOYSA-N 0 3 229.245 3.323 20 30 BGEDHN C=CCN(C)Cc1ccc2ccccc2c1 ZINC000061783056 369850446 /nfs/dbraw/zinc/85/04/46/369850446.db2.gz ZMMRMUOXDBLVBL-UHFFFAOYSA-N 0 3 211.308 3.458 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000061801780 358936619 /nfs/dbraw/zinc/93/66/19/358936619.db2.gz RVTAQGNTMHSDJF-HNNXBMFYSA-N 0 3 231.339 3.408 20 30 BGEDHN CC1(C)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000061803843 388644881 /nfs/dbraw/zinc/64/48/81/388644881.db2.gz POZZYCGPWWIIOQ-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC000061803867 388644847 /nfs/dbraw/zinc/64/48/47/388644847.db2.gz GVOVZRDGFGTSJW-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC1(C)CCN(Cc2ccccc2C#N)CC1 ZINC000061803906 388644877 /nfs/dbraw/zinc/64/48/77/388644877.db2.gz GHYWTNPCDCRWJN-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000061803940 388644885 /nfs/dbraw/zinc/64/48/85/388644885.db2.gz KBQMAXWUKZYLDJ-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062052641 385150104 /nfs/dbraw/zinc/15/01/04/385150104.db2.gz KJIBGZSVATVYHX-FZMZJTMJSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062052642 385151882 /nfs/dbraw/zinc/15/18/82/385151882.db2.gz KJIBGZSVATVYHX-SMDDNHRTSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(F)cc1 ZINC000062052643 385150091 /nfs/dbraw/zinc/15/00/91/385150091.db2.gz KJIBGZSVATVYHX-RISCZKNCSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(F)cc1 ZINC000062052644 385152169 /nfs/dbraw/zinc/15/21/69/385152169.db2.gz KJIBGZSVATVYHX-BXUZGUMPSA-N 0 3 234.318 3.039 20 30 BGEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(F)cc1 ZINC000062052687 350537819 /nfs/dbraw/zinc/53/78/19/350537819.db2.gz BNPWTMBQMVCIQI-JTQLQIEISA-N 0 3 227.710 3.099 20 30 BGEDHN C=C(Cl)CN[C@H](C)Cc1ccc(F)cc1 ZINC000062052688 350538078 /nfs/dbraw/zinc/53/80/78/350538078.db2.gz BNPWTMBQMVCIQI-SNVBAGLBSA-N 0 3 227.710 3.099 20 30 BGEDHN CC(C)(C)C(=N)Nc1cnc2ccccc2c1 ZINC000062987809 518546213 /nfs/dbraw/zinc/54/62/13/518546213.db2.gz DVAYBLKDFVPWJN-UHFFFAOYSA-N 0 3 227.311 3.270 20 30 BGEDHN CC1(C)CCCN1Cc1cc(C#N)ccc1F ZINC000063063653 370124115 /nfs/dbraw/zinc/12/41/15/370124115.db2.gz WJNZFJIVKIKQIC-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CC1(C)CCCN1Cc1ccc(C#N)cc1F ZINC000063063654 343748447 /nfs/dbraw/zinc/74/84/47/343748447.db2.gz YTRKUOSRFYHVFB-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CCCC[C@@H](CC)CN(C)[C@@H](C)CC#N ZINC000063095791 350570916 /nfs/dbraw/zinc/57/09/16/350570916.db2.gz DELCKCJDQDJQCW-QWHCGFSZSA-N 0 3 210.365 3.437 20 30 BGEDHN CCCC[C@H](CC)CN(C)[C@@H](C)CC#N ZINC000063095793 350571354 /nfs/dbraw/zinc/57/13/54/350571354.db2.gz DELCKCJDQDJQCW-STQMWFEESA-N 0 3 210.365 3.437 20 30 BGEDHN C[C@H](NCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000063098755 397911023 /nfs/dbraw/zinc/91/10/23/397911023.db2.gz RTZQSJMNSCLVEX-VIFPVBQESA-N 0 3 242.244 3.161 20 30 BGEDHN C[C@@H](NCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000063098756 175872291 /nfs/dbraw/zinc/87/22/91/175872291.db2.gz RTZQSJMNSCLVEX-SECBINFHSA-N 0 3 242.244 3.161 20 30 BGEDHN C[C@H](NCCC(F)(F)F)c1cccc(C#N)c1 ZINC000063099605 370133113 /nfs/dbraw/zinc/13/31/13/370133113.db2.gz BEYBBIMSRZTOBB-VIFPVBQESA-N 0 3 242.244 3.161 20 30 BGEDHN C[C@@H](NCCC(F)(F)F)c1cccc(C#N)c1 ZINC000063099606 370133132 /nfs/dbraw/zinc/13/31/32/370133132.db2.gz BEYBBIMSRZTOBB-SECBINFHSA-N 0 3 242.244 3.161 20 30 BGEDHN CC[C@@H](CC#N)NCC1CCC(C)CC1 ZINC000063145582 134396508 /nfs/dbraw/zinc/39/65/08/134396508.db2.gz SLTFVUAYBKZBOP-BPCQOVAHSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](CC#N)NCC1CCC(C)CC1 ZINC000063145584 350573598 /nfs/dbraw/zinc/57/35/98/350573598.db2.gz SLTFVUAYBKZBOP-WXRRBKDZSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](NCc1ccsc1)c1cccc(C#N)c1 ZINC000063152487 347626726 /nfs/dbraw/zinc/62/67/26/347626726.db2.gz WKKJWQDBSCCFTF-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1ccsc1)c1cccc(C#N)c1 ZINC000063152488 370137133 /nfs/dbraw/zinc/13/71/33/370137133.db2.gz WKKJWQDBSCCFTF-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000063287544 349516994 /nfs/dbraw/zinc/51/69/94/349516994.db2.gz YZRAEPUFPKRANM-UHFFFAOYSA-N 0 3 248.326 3.239 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)CC(C)C ZINC000063299893 357620845 /nfs/dbraw/zinc/62/08/45/357620845.db2.gz BBWGXUGZZZJRCT-UHFFFAOYSA-N 0 3 228.339 3.202 20 30 BGEDHN C=CCN(CC(=C)C)Cc1cccc(C#N)c1 ZINC000063300460 343118374 /nfs/dbraw/zinc/11/83/74/343118374.db2.gz GGBYLZNGCKUAFG-UHFFFAOYSA-N 0 3 226.323 3.122 20 30 BGEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000063308421 388660745 /nfs/dbraw/zinc/66/07/45/388660745.db2.gz LMLZZCTWLIITCX-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000063308422 177099665 /nfs/dbraw/zinc/09/96/65/177099665.db2.gz VLVLJFKENMWTEB-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000063308648 388660473 /nfs/dbraw/zinc/66/04/73/388660473.db2.gz KQTZDIHNUIJYDC-ZDUSSCGKSA-N 0 3 228.339 3.180 20 30 BGEDHN C=CCN(CCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063388406 342713410 /nfs/dbraw/zinc/71/34/10/342713410.db2.gz BFRPKZCTDCIMEE-UHFFFAOYSA-N 0 3 248.326 3.383 20 30 BGEDHN C=CCN(CCCC)Cc1cccc(C#N)c1 ZINC000063388407 370166289 /nfs/dbraw/zinc/16/62/89/370166289.db2.gz FRCYSIMAVKOQBT-UHFFFAOYSA-N 0 3 228.339 3.346 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccccc1C#N ZINC000063618462 349967337 /nfs/dbraw/zinc/96/73/37/349967337.db2.gz ZHTOMARBMXUMGG-HNNXBMFYSA-N 0 3 228.339 3.179 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000063618773 370177503 /nfs/dbraw/zinc/17/75/03/370177503.db2.gz UJNLXOWMORBMKH-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)N(CCCC#N)Cc1ccc(C#N)cc1 ZINC000063750909 535053453 /nfs/dbraw/zinc/05/34/53/535053453.db2.gz SIVPDPMDQJHUBT-UHFFFAOYSA-N 0 3 241.338 3.072 20 30 BGEDHN C#CCN(CC)[C@H](C)c1cc2ccccc2o1 ZINC000064349040 642649123 /nfs/dbraw/zinc/64/91/23/642649123.db2.gz FPPVWWQLLHHJKJ-GFCCVEGCSA-N 0 3 227.307 3.449 20 30 BGEDHN C=CCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064486445 353669001 /nfs/dbraw/zinc/66/90/01/353669001.db2.gz NDYZUXDAMIRYLZ-UHFFFAOYSA-N 0 3 245.366 3.333 20 30 BGEDHN C=C(Br)CN1CCC[C@@H]1C(C)C ZINC000064517417 642670430 /nfs/dbraw/zinc/67/04/30/642670430.db2.gz GLSVSWIGWQRCGI-SNVBAGLBSA-N 0 3 232.165 3.015 20 30 BGEDHN C=C(C)CN1CCC(Oc2ccccc2)CC1 ZINC000064793222 188259167 /nfs/dbraw/zinc/25/91/67/188259167.db2.gz QMNIGSOQXYVXAI-UHFFFAOYSA-N 0 3 231.339 3.106 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(OC(F)F)c1 ZINC000064992757 388680375 /nfs/dbraw/zinc/68/03/75/388680375.db2.gz VREYEOVLKORSPM-UHFFFAOYSA-N 0 3 241.281 3.296 20 30 BGEDHN C=CCN(Cc1ccc(C)s1)C(C)C ZINC000065161837 368618403 /nfs/dbraw/zinc/61/84/03/368618403.db2.gz LRBNAAMYMKISBL-UHFFFAOYSA-N 0 3 209.358 3.453 20 30 BGEDHN C=CCN(CC=C)CCCOc1ccccc1C ZINC000065222979 368619809 /nfs/dbraw/zinc/61/98/09/368619809.db2.gz OKMUWBFEYWHHAZ-UHFFFAOYSA-N 0 3 245.366 3.438 20 30 BGEDHN CCN(Cc1ccccc1C#N)[C@@H](C)C(C)C ZINC000065298611 384498532 /nfs/dbraw/zinc/49/85/32/384498532.db2.gz UCFKSBSITSXJFU-ZDUSSCGKSA-N 0 3 230.355 3.425 20 30 BGEDHN C=CCN(CCOC(C)(C)C)Cc1ccccc1 ZINC000065950245 368637110 /nfs/dbraw/zinc/63/71/10/368637110.db2.gz JFZFKPUEQYBLND-UHFFFAOYSA-N 0 3 247.382 3.490 20 30 BGEDHN C=CCN(CCCC#N)CCc1ccccc1 ZINC000065959659 388706781 /nfs/dbraw/zinc/70/67/81/388706781.db2.gz ZOKYANNNSIVHLQ-UHFFFAOYSA-N 0 3 228.339 3.021 20 30 BGEDHN C=CCN(CCc1ccccc1)CC(=C)C ZINC000065959660 363970960 /nfs/dbraw/zinc/97/09/60/363970960.db2.gz CTGCYSJYKUSBQI-UHFFFAOYSA-N 0 3 215.340 3.293 20 30 BGEDHN C=CCN(CCOC(C)C)CCc1ccccc1 ZINC000065959668 388707475 /nfs/dbraw/zinc/70/74/75/388707475.db2.gz JQHPHLRJXJZHDC-UHFFFAOYSA-N 0 3 247.382 3.142 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000066434291 632905629 /nfs/dbraw/zinc/90/56/29/632905629.db2.gz FPPVWWQLLHHJKJ-LBPRGKRZSA-N 0 3 227.307 3.449 20 30 BGEDHN CN(Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000066492818 398310114 /nfs/dbraw/zinc/31/01/14/398310114.db2.gz MHIXSOHXNRYVSQ-HNNXBMFYSA-N 0 3 226.323 3.099 20 30 BGEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000066492819 398309983 /nfs/dbraw/zinc/30/99/83/398309983.db2.gz MHIXSOHXNRYVSQ-OAHLLOKOSA-N 0 3 226.323 3.099 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000066696235 343879011 /nfs/dbraw/zinc/87/90/11/343879011.db2.gz RVTAQGNTMHSDJF-OAHLLOKOSA-N 0 3 231.339 3.408 20 30 BGEDHN C[C@@H](CN(C)CCCC#N)c1ccccc1 ZINC000066854145 368664889 /nfs/dbraw/zinc/66/48/89/368664889.db2.gz TYOUUWKQRPFTAN-ZDUSSCGKSA-N 0 3 216.328 3.026 20 30 BGEDHN C[C@H](CN(C)CCCC#N)c1ccccc1 ZINC000066854146 368665389 /nfs/dbraw/zinc/66/53/89/368665389.db2.gz TYOUUWKQRPFTAN-CYBMUJFWSA-N 0 3 216.328 3.026 20 30 BGEDHN C=C(C)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458536 388734614 /nfs/dbraw/zinc/73/46/14/388734614.db2.gz LPXHMVIPURDNPB-UHFFFAOYSA-N 0 3 248.326 3.381 20 30 BGEDHN CCN(Cc1ccccc1C#N)[C@H](C)C(C)C ZINC000067653845 370690757 /nfs/dbraw/zinc/69/07/57/370690757.db2.gz UCFKSBSITSXJFU-CYBMUJFWSA-N 0 3 230.355 3.425 20 30 BGEDHN N#CCCCN(C1CC1)[C@H]1CCc2ccccc21 ZINC000067712343 387098896 /nfs/dbraw/zinc/09/88/96/387098896.db2.gz WXRMBLJMMJLWAE-INIZCTEOSA-N 0 3 240.350 3.442 20 30 BGEDHN N#CCCCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000067712344 387099101 /nfs/dbraw/zinc/09/91/01/387099101.db2.gz WXRMBLJMMJLWAE-MRXNPFEDSA-N 0 3 240.350 3.442 20 30 BGEDHN CCCCCN(Cc1ccnc(C#N)c1)C(C)C ZINC000068766327 370844235 /nfs/dbraw/zinc/84/42/35/370844235.db2.gz MXAMBBCTSDTTEK-UHFFFAOYSA-N 0 3 245.370 3.354 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000068830736 323085167 /nfs/dbraw/zinc/08/51/67/323085167.db2.gz KQTZDIHNUIJYDC-CYBMUJFWSA-N 0 3 228.339 3.180 20 30 BGEDHN CCC[N@@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000068973550 711890282 /nfs/dbraw/zinc/89/02/82/711890282.db2.gz SNQYDVUYBKWSQV-UHFFFAOYSA-N 0 3 246.354 3.298 20 30 BGEDHN CCC[N@H+](CCCCC#N)Cc1ccccc1[O-] ZINC000068973550 711890280 /nfs/dbraw/zinc/89/02/80/711890280.db2.gz SNQYDVUYBKWSQV-UHFFFAOYSA-N 0 3 246.354 3.298 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccccc1OC ZINC000069085159 387111604 /nfs/dbraw/zinc/11/16/04/387111604.db2.gz GHESNAKQRUYOBU-ZDUSSCGKSA-N 0 3 217.312 3.018 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccccc1OC ZINC000069085162 387113871 /nfs/dbraw/zinc/11/38/71/387113871.db2.gz GHESNAKQRUYOBU-CYBMUJFWSA-N 0 3 217.312 3.018 20 30 BGEDHN COc1ccccc1[C@@H]1CCCN1CCCC#N ZINC000069085829 387112801 /nfs/dbraw/zinc/11/28/01/387112801.db2.gz PMKFXLOLXLJFDE-AWEZNQCLSA-N 0 3 244.338 3.136 20 30 BGEDHN COc1ccccc1[C@H]1CCCN1CCCC#N ZINC000069085833 387111928 /nfs/dbraw/zinc/11/19/28/387111928.db2.gz PMKFXLOLXLJFDE-CQSZACIVSA-N 0 3 244.338 3.136 20 30 BGEDHN C=C(C)CN1CCC[C@@H]1c1ccccc1OC ZINC000069085837 323088943 /nfs/dbraw/zinc/08/89/43/323088943.db2.gz GBVDSXACKDAERM-CQSZACIVSA-N 0 3 231.339 3.408 20 30 BGEDHN C=C(C)CN1CCC[C@H]1c1ccccc1OC ZINC000069085840 323088885 /nfs/dbraw/zinc/08/88/85/323088885.db2.gz GBVDSXACKDAERM-AWEZNQCLSA-N 0 3 231.339 3.408 20 30 BGEDHN CCC(C)(C)N(C)Cc1ccc(C#N)cc1F ZINC000069433197 168285664 /nfs/dbraw/zinc/28/56/64/168285664.db2.gz LFNWWTVSAQDSHB-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CCC(C)(C)N(C)Cc1cc(C#N)ccc1F ZINC000069433202 168286567 /nfs/dbraw/zinc/28/65/67/168286567.db2.gz WRNXHHGSLGSENI-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CCC(C)(C)N(C)Cc1ccccc1C#N ZINC000069433651 168286130 /nfs/dbraw/zinc/28/61/30/168286130.db2.gz XEUQWOIFTTUGEQ-UHFFFAOYSA-N 0 3 216.328 3.179 20 30 BGEDHN CCOc1ccccc1CN(C)CCCCC#N ZINC000069607415 388851105 /nfs/dbraw/zinc/85/11/05/388851105.db2.gz GENMOXMYJPMBBP-UHFFFAOYSA-N 0 3 246.354 3.211 20 30 BGEDHN C#CCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000069767577 188111244 /nfs/dbraw/zinc/11/12/44/188111244.db2.gz QYGCTLBOCFORTH-VIFPVBQESA-N 0 3 225.694 3.153 20 30 BGEDHN C#CCCN[C@H](C)c1ccc(F)cc1Cl ZINC000069767580 642901707 /nfs/dbraw/zinc/90/17/07/642901707.db2.gz QYGCTLBOCFORTH-SECBINFHSA-N 0 3 225.694 3.153 20 30 BGEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000070158149 384440879 /nfs/dbraw/zinc/44/08/79/384440879.db2.gz LMLZZCTWLIITCX-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000070158152 176099776 /nfs/dbraw/zinc/09/97/76/176099776.db2.gz VLVLJFKENMWTEB-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)CC1CCCC1 ZINC000070158336 359043595 /nfs/dbraw/zinc/04/35/95/359043595.db2.gz CBWPRNVLBWHGLJ-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CN(Cc1ccccc1C#N)CC1CCCC1 ZINC000070158348 387118003 /nfs/dbraw/zinc/11/80/03/387118003.db2.gz RCUQAJKDYGLPCA-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN C#CCN[C@@H](c1ccc(CC)cc1)C(C)C ZINC000070184601 166191180 /nfs/dbraw/zinc/19/11/80/166191180.db2.gz MIJPQIWNVIFDOA-OAHLLOKOSA-N 0 3 215.340 3.169 20 30 BGEDHN C#CCN[C@H](c1ccc(CC)cc1)C(C)C ZINC000070184602 166192678 /nfs/dbraw/zinc/19/26/78/166192678.db2.gz MIJPQIWNVIFDOA-HNNXBMFYSA-N 0 3 215.340 3.169 20 30 BGEDHN C#CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000070184938 642992373 /nfs/dbraw/zinc/99/23/73/642992373.db2.gz VOZMGNGLGLRBNM-CYBMUJFWSA-N 0 3 219.303 3.136 20 30 BGEDHN C#CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000070184939 642993970 /nfs/dbraw/zinc/99/39/70/642993970.db2.gz VOZMGNGLGLRBNM-ZDUSSCGKSA-N 0 3 219.303 3.136 20 30 BGEDHN C#CCCN[C@@H](C)c1ccccc1Cl ZINC000070190933 343309361 /nfs/dbraw/zinc/30/93/61/343309361.db2.gz FUIHXULQSUQKBA-JTQLQIEISA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCCN[C@H](C)c1ccccc1Cl ZINC000070190934 343309407 /nfs/dbraw/zinc/30/94/07/343309407.db2.gz FUIHXULQSUQKBA-SNVBAGLBSA-N 0 3 207.704 3.014 20 30 BGEDHN C#CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000070191121 411164391 /nfs/dbraw/zinc/16/43/91/411164391.db2.gz RUNAGJQQQZRJHK-NSHDSACASA-N 0 3 213.280 3.107 20 30 BGEDHN C#CCCN[C@H](C)c1cc2ccccc2o1 ZINC000070191123 411164413 /nfs/dbraw/zinc/16/44/13/411164413.db2.gz RUNAGJQQQZRJHK-LLVKDONJSA-N 0 3 213.280 3.107 20 30 BGEDHN CC1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000070259011 359047731 /nfs/dbraw/zinc/04/77/31/359047731.db2.gz BUEWHGHZVSAOOO-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000070259013 359048021 /nfs/dbraw/zinc/04/80/21/359048021.db2.gz RTDZLQDLBVWRPP-UHFFFAOYSA-N 0 3 228.339 3.180 20 30 BGEDHN C[C@H](NCc1ccccc1C#N)C1CCCC1 ZINC000070306981 388729249 /nfs/dbraw/zinc/72/92/49/388729249.db2.gz XLJGKVHHOJZMOL-LBPRGKRZSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@@H](NCc1ccccc1C#N)C1CCCC1 ZINC000070306982 388729612 /nfs/dbraw/zinc/72/96/12/388729612.db2.gz XLJGKVHHOJZMOL-GFCCVEGCSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@H](NCc1cc(C#N)ccc1F)C1CCCC1 ZINC000070307049 384529728 /nfs/dbraw/zinc/52/97/28/384529728.db2.gz UYJJRVQUKWUUIE-NSHDSACASA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H](NCc1cc(C#N)ccc1F)C1CCCC1 ZINC000070307050 384530403 /nfs/dbraw/zinc/53/04/03/384530403.db2.gz UYJJRVQUKWUUIE-LLVKDONJSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000070409525 359052089 /nfs/dbraw/zinc/05/20/89/359052089.db2.gz XNTJJGAAIZXUIV-GFCCVEGCSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CCCCCN1Cc1cc(C#N)ccc1F ZINC000070409526 371028797 /nfs/dbraw/zinc/02/87/97/371028797.db2.gz XNTJJGAAIZXUIV-LBPRGKRZSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1ccccc1C#N ZINC000070409545 371029225 /nfs/dbraw/zinc/02/92/25/371029225.db2.gz VDRVRADOSQTFRM-CYBMUJFWSA-N 0 3 228.339 3.323 20 30 BGEDHN C[C@H]1CCCCCN1Cc1ccccc1C#N ZINC000070409546 345700904 /nfs/dbraw/zinc/70/09/04/345700904.db2.gz VDRVRADOSQTFRM-ZDUSSCGKSA-N 0 3 228.339 3.323 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000070409563 371029246 /nfs/dbraw/zinc/02/92/46/371029246.db2.gz IOHLQJOYERILGL-GFCCVEGCSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CCCCCN1Cc1ccc(C#N)cc1F ZINC000070409564 371029405 /nfs/dbraw/zinc/02/94/05/371029405.db2.gz IOHLQJOYERILGL-LBPRGKRZSA-N 0 3 246.329 3.462 20 30 BGEDHN N#Cc1ccccc1CN(CC1CC1)CC1CC1 ZINC000070505310 371038496 /nfs/dbraw/zinc/03/84/96/371038496.db2.gz OATLWPJESLKCOY-UHFFFAOYSA-N 0 3 240.350 3.180 20 30 BGEDHN C[C@@H](CC#N)NCC[C@H]1CCC[C@@H](C)C1 ZINC000070532291 345773792 /nfs/dbraw/zinc/77/37/92/345773792.db2.gz BZMCVJVQVKMCRD-FRRDWIJNSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CC#N)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000070532293 345773586 /nfs/dbraw/zinc/77/35/86/345773586.db2.gz BZMCVJVQVKMCRD-AGIUHOORSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](CC#N)NCC[C@@H]1CCC[C@H](C)C1 ZINC000070532462 350017050 /nfs/dbraw/zinc/01/70/50/350017050.db2.gz ZQUJZBGCCDUHJL-MELADBBJSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NCC[C@H]1CCC[C@H](C)C1 ZINC000070532464 350016934 /nfs/dbraw/zinc/01/69/34/350016934.db2.gz ZQUJZBGCCDUHJL-BFHYXJOUSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](CC#N)N[C@H]1CCC[C@@H](CC)C1 ZINC000070562945 343334976 /nfs/dbraw/zinc/33/49/76/343334976.db2.gz RXUVUGZTMZODRO-AGIUHOORSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H]1CCC[C@@H](CC)C1 ZINC000070562947 343335076 /nfs/dbraw/zinc/33/50/76/343335076.db2.gz RXUVUGZTMZODRO-FRRDWIJNSA-N 0 3 208.349 3.237 20 30 BGEDHN C=CCCCNCc1ccccc1Cl ZINC000070591305 323202157 /nfs/dbraw/zinc/20/21/57/323202157.db2.gz DZAZXWJYJWZWQF-UHFFFAOYSA-N 0 3 209.720 3.396 20 30 BGEDHN C=CCCNCc1ccccc1Br ZINC000070591865 411336540 /nfs/dbraw/zinc/33/65/40/411336540.db2.gz QJQNKMNBPBORFH-UHFFFAOYSA-N 0 3 240.144 3.115 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccccc1F ZINC000070592009 323202411 /nfs/dbraw/zinc/20/24/11/323202411.db2.gz MVJMZWYUDJXWPQ-NSHDSACASA-N 0 3 207.292 3.443 20 30 BGEDHN C=CCCCN[C@H](C)c1ccccc1F ZINC000070592010 323202422 /nfs/dbraw/zinc/20/24/22/323202422.db2.gz MVJMZWYUDJXWPQ-LLVKDONJSA-N 0 3 207.292 3.443 20 30 BGEDHN C=CCCCNCc1ccc(F)cc1F ZINC000070592232 343333842 /nfs/dbraw/zinc/33/38/42/343333842.db2.gz OATWDUSPMPFGLY-UHFFFAOYSA-N 0 3 211.255 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/nfs/dbraw/zinc/33/68/34/343336834.db2.gz OTQGMRWVTHFQCE-JTQLQIEISA-N 0 3 210.346 3.068 20 30 BGEDHN CC[C@@H](CC#N)NC1CCC(C)(C)CC1 ZINC000070654316 135004429 /nfs/dbraw/zinc/00/44/29/135004429.db2.gz JTIOOIZXJPBLGT-NSHDSACASA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)NC1CCC(C)(C)CC1 ZINC000070654317 536055986 /nfs/dbraw/zinc/05/59/86/536055986.db2.gz JTIOOIZXJPBLGT-LLVKDONJSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H]1CCCC(C)(C)C1 ZINC000070683414 535726233 /nfs/dbraw/zinc/72/62/33/535726233.db2.gz JHFZWXREUDYXSD-NWDGAFQWSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCCC(C)(C)C1 ZINC000070683417 343338364 /nfs/dbraw/zinc/33/83/64/343338364.db2.gz JHFZWXREUDYXSD-VXGBXAGGSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@H]1CCCC(C)(C)C1 ZINC000070683420 535728257 /nfs/dbraw/zinc/72/82/57/535728257.db2.gz JHFZWXREUDYXSD-RYUDHWBXSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCCC(C)(C)C1 ZINC000070683424 134923054 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ZINC000081638757 398332273 /nfs/dbraw/zinc/33/22/73/398332273.db2.gz JAKMBQHFPMSIRY-MJBXVCDLSA-N 0 3 220.360 3.237 20 30 BGEDHN CC[C@H](CC#N)NC1C[C@@H](C)C[C@H](C)C1 ZINC000082830496 343467280 /nfs/dbraw/zinc/46/72/80/343467280.db2.gz IKCPJMKFNIGQCG-SDDRHHMPSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082837389 343468281 /nfs/dbraw/zinc/46/82/81/343468281.db2.gz KOAKLAUXZVAUJZ-UMSGYPCISA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859343 343469114 /nfs/dbraw/zinc/46/91/14/343469114.db2.gz UJPZTODMEBPIMH-YVECIDJPSA-N 0 3 208.349 3.093 20 30 BGEDHN N#CCCCCNC1(c2nccs2)CCCC1 ZINC000083215088 384752138 /nfs/dbraw/zinc/75/21/38/384752138.db2.gz WOMHBWOAVZPUSI-UHFFFAOYSA-N 0 3 249.383 3.196 20 30 BGEDHN N#CCCCN1CCC(c2ccc(F)cc2)CC1 ZINC000083423757 359792547 /nfs/dbraw/zinc/79/25/47/359792547.db2.gz APSFLZVVIMROPK-UHFFFAOYSA-N 0 3 246.329 3.309 20 30 BGEDHN CC[C@@H]1CCC[C@H](NC[C@@H](C)C#N)CC1 ZINC000083435764 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/nfs/dbraw/zinc/47/04/02/387470402.db2.gz GPHIGXRKRWPKQK-UHFFFAOYSA-N 0 3 209.720 3.396 20 30 BGEDHN C=C(CC)CNCc1ccc(Cl)cc1 ZINC000085057252 387471620 /nfs/dbraw/zinc/47/16/20/387471620.db2.gz YDZWMRJHZDLBQH-UHFFFAOYSA-N 0 3 209.720 3.396 20 30 BGEDHN C=C(CC)CNCc1cccc(OCC)c1 ZINC000085057578 534417643 /nfs/dbraw/zinc/41/76/43/534417643.db2.gz MXVQTSKDEXSCFC-UHFFFAOYSA-N 0 3 219.328 3.141 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000085057607 388082917 /nfs/dbraw/zinc/08/29/17/388082917.db2.gz ULCZANHXJCTFRY-LBPRGKRZSA-N 0 3 214.312 3.175 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(C#N)cc1 ZINC000085057609 388082898 /nfs/dbraw/zinc/08/28/98/388082898.db2.gz ULCZANHXJCTFRY-GFCCVEGCSA-N 0 3 214.312 3.175 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1sc(C)nc1C ZINC000085057748 384480704 /nfs/dbraw/zinc/48/07/04/384480704.db2.gz GNHIFUSBZWELCB-VIFPVBQESA-N 0 3 224.373 3.377 20 30 BGEDHN C=C(CC)CN[C@H](C)c1sc(C)nc1C ZINC000085057750 384482244 /nfs/dbraw/zinc/48/22/44/384482244.db2.gz GNHIFUSBZWELCB-SECBINFHSA-N 0 3 224.373 3.377 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(F)cc1 ZINC000085057946 322924070 /nfs/dbraw/zinc/92/40/70/322924070.db2.gz RJBICUQCNOXMKQ-NSHDSACASA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(F)cc1 ZINC000085057948 387471247 /nfs/dbraw/zinc/47/12/47/387471247.db2.gz RJBICUQCNOXMKQ-LLVKDONJSA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccccc1F ZINC000085057993 384480995 /nfs/dbraw/zinc/48/09/95/384480995.db2.gz OOGPDJCOHUMCKY-NSHDSACASA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccccc1F ZINC000085057995 256766773 /nfs/dbraw/zinc/76/67/73/256766773.db2.gz OOGPDJCOHUMCKY-LLVKDONJSA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cccc(F)c1 ZINC000085057997 387471108 /nfs/dbraw/zinc/47/11/08/387471108.db2.gz HGMDYFMKHVQBDD-NSHDSACASA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cccc(F)c1 ZINC000085058001 387470959 /nfs/dbraw/zinc/47/09/59/387470959.db2.gz HGMDYFMKHVQBDD-LLVKDONJSA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(CC)CNCc1ccc(F)c(F)c1 ZINC000085058079 384479810 /nfs/dbraw/zinc/47/98/10/384479810.db2.gz GVWRLUJNSKCFFP-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=C(CC)CNCc1ccc(F)cc1F ZINC000085058296 355974564 /nfs/dbraw/zinc/97/45/64/355974564.db2.gz NKSARKYRBRRQOQ-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=C(CC)CNCc1cccc(Cl)c1 ZINC000085058415 387471348 /nfs/dbraw/zinc/47/13/48/387471348.db2.gz IDPHFEGUDJVEDD-UHFFFAOYSA-N 0 3 209.720 3.396 20 30 BGEDHN C=C(CC)CNCc1ccc(Cl)s1 ZINC000085058706 387471027 /nfs/dbraw/zinc/47/10/27/387471027.db2.gz ZASAGGBTPGQGLG-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN CC[C@@H](CC#N)NC1CCC(C(F)(F)F)CC1 ZINC000085126246 388084753 /nfs/dbraw/zinc/08/47/53/388084753.db2.gz GGMXCMKLXDCPPW-YVNMAJEFSA-N 0 3 248.292 3.389 20 30 BGEDHN CC[C@H](CC#N)NC1CCC(C(F)(F)F)CC1 ZINC000085126248 388084336 /nfs/dbraw/zinc/08/43/36/388084336.db2.gz GGMXCMKLXDCPPW-HSOILSAZSA-N 0 3 248.292 3.389 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129831 134223642 /nfs/dbraw/zinc/22/36/42/134223642.db2.gz GDIIFQLTBOOKJN-HBNTYKKESA-N 0 3 248.292 3.389 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129836 134223612 /nfs/dbraw/zinc/22/36/12/134223612.db2.gz GDIIFQLTBOOKJN-AXFHLTTASA-N 0 3 248.292 3.389 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)cc1 ZINC000085300064 387483391 /nfs/dbraw/zinc/48/33/91/387483391.db2.gz JIAPEAQQVIWWIT-LBPRGKRZSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)cc1 ZINC000085300067 387484115 /nfs/dbraw/zinc/48/41/15/387484115.db2.gz JIAPEAQQVIWWIT-GFCCVEGCSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(C)[C@@H](NCC)c1ccc(F)c(F)c1 ZINC000086026037 384590057 /nfs/dbraw/zinc/59/00/57/384590057.db2.gz AHXMLNNRSVPICJ-GFCCVEGCSA-N 0 3 211.255 3.192 20 30 BGEDHN C=C(C)[C@H](NCC)c1ccc(F)c(F)c1 ZINC000086026042 384590744 /nfs/dbraw/zinc/59/07/44/384590744.db2.gz AHXMLNNRSVPICJ-LBPRGKRZSA-N 0 3 211.255 3.192 20 30 BGEDHN C[C@@H](c1ccco1)N(CCCCC#N)C1CC1 ZINC000086232806 384998602 /nfs/dbraw/zinc/99/86/02/384998602.db2.gz KAIADZVXKIQNOM-LBPRGKRZSA-N 0 3 232.327 3.499 20 30 BGEDHN C[C@H](c1ccco1)N(CCCCC#N)C1CC1 ZINC000086232807 384999124 /nfs/dbraw/zinc/99/91/24/384999124.db2.gz KAIADZVXKIQNOM-GFCCVEGCSA-N 0 3 232.327 3.499 20 30 BGEDHN N#Cc1csc(CNCCc2ccsc2)c1 ZINC000086500166 386159740 /nfs/dbraw/zinc/15/97/40/386159740.db2.gz GVCQUKHQVUQARZ-UHFFFAOYSA-N 0 3 248.376 3.014 20 30 BGEDHN Cc1ccc(CNCc2cc(C#N)cs2)s1 ZINC000086500190 135087302 /nfs/dbraw/zinc/08/73/02/135087302.db2.gz PNVMCMVRWUZQAP-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN Cc1ccsc1CNCc1cc(C#N)cs1 ZINC000086500233 135087232 /nfs/dbraw/zinc/08/72/32/135087232.db2.gz JZOWHMFEHYLCSY-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN CC1(C)C(NCc2cc(C#N)cs2)C1(C)C ZINC000086573808 136280998 /nfs/dbraw/zinc/28/09/98/136280998.db2.gz YOQLEZTUHLQDDT-UHFFFAOYSA-N 0 3 234.368 3.144 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H]1CCCCC1(C)C ZINC000086845126 384894037 /nfs/dbraw/zinc/89/40/37/384894037.db2.gz RNKBNQJZBLGRPY-NWDGAFQWSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCCCC1(C)C ZINC000086845130 384894086 /nfs/dbraw/zinc/89/40/86/384894086.db2.gz RNKBNQJZBLGRPY-VXGBXAGGSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@H]1CCCCC1(C)C ZINC000086845132 322869395 /nfs/dbraw/zinc/86/93/95/322869395.db2.gz RNKBNQJZBLGRPY-RYUDHWBXSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCCCC1(C)C ZINC000086845134 322869443 /nfs/dbraw/zinc/86/94/43/322869443.db2.gz RNKBNQJZBLGRPY-NEPJUHHUSA-N 0 3 208.349 3.237 20 30 BGEDHN Cc1cscc1CNCc1cc(C#N)cs1 ZINC000087309621 135122892 /nfs/dbraw/zinc/12/28/92/135122892.db2.gz XZFYCGTVSQWRGM-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN CC(C)CC1(CNCCC#N)CCCC1 ZINC000087309773 365705647 /nfs/dbraw/zinc/70/56/47/365705647.db2.gz YMNXXNAKSZWVBL-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN Cc1ccc([C@@H](C)NCCCC#N)cc1F ZINC000087369449 359908696 /nfs/dbraw/zinc/90/86/96/359908696.db2.gz CLYWPBGKORRHLL-LLVKDONJSA-N 0 3 220.291 3.089 20 30 BGEDHN Cc1ccc([C@H](C)NCCCC#N)cc1F ZINC000087369451 359908258 /nfs/dbraw/zinc/90/82/58/359908258.db2.gz CLYWPBGKORRHLL-NSHDSACASA-N 0 3 220.291 3.089 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000087369681 384932916 /nfs/dbraw/zinc/93/29/16/384932916.db2.gz JCANACIMBPNNGA-LLVKDONJSA-N 0 3 207.292 3.361 20 30 BGEDHN C=CCCNCc1sccc1Br ZINC000087575651 487668916 /nfs/dbraw/zinc/66/89/16/487668916.db2.gz LQCKLIJYWBSENP-UHFFFAOYSA-N 0 3 246.173 3.176 20 30 BGEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000087591365 136211904 /nfs/dbraw/zinc/21/19/04/136211904.db2.gz IKZZPPPJQOREMC-LBPRGKRZSA-N 0 3 241.338 3.149 20 30 BGEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000087591366 136211928 /nfs/dbraw/zinc/21/19/28/136211928.db2.gz IKZZPPPJQOREMC-GFCCVEGCSA-N 0 3 241.338 3.149 20 30 BGEDHN Cc1cc([C@@H](C)NCCC(C)(C)C#N)c(C)o1 ZINC000087591848 135158606 /nfs/dbraw/zinc/15/86/06/135158606.db2.gz VUTPYMIVFXAESY-LLVKDONJSA-N 0 3 234.343 3.487 20 30 BGEDHN Cc1cc([C@H](C)NCCC(C)(C)C#N)c(C)o1 ZINC000087591849 135158818 /nfs/dbraw/zinc/15/88/18/135158818.db2.gz VUTPYMIVFXAESY-NSHDSACASA-N 0 3 234.343 3.487 20 30 BGEDHN CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595045 383852062 /nfs/dbraw/zinc/85/20/62/383852062.db2.gz MSOSIFVGYPQOGQ-UHFFFAOYSA-N 0 3 216.328 3.058 20 30 BGEDHN Cc1ccc(CN(C)CCC(C)(C)C#N)cc1 ZINC000087595115 359919591 /nfs/dbraw/zinc/91/95/91/359919591.db2.gz SXGSVTLEOLWUHX-UHFFFAOYSA-N 0 3 230.355 3.367 20 30 BGEDHN CN(CCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000087595119 383851136 /nfs/dbraw/zinc/85/11/36/383851136.db2.gz AKPJPWBNLVBKKI-UHFFFAOYSA-N 0 3 234.318 3.197 20 30 BGEDHN CCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595132 383852003 /nfs/dbraw/zinc/85/20/03/383852003.db2.gz UNQKWNDAZBQSLG-UHFFFAOYSA-N 0 3 230.355 3.448 20 30 BGEDHN CN(CCC(C)(C)C#N)Cc1cccs1 ZINC000087595153 343654870 /nfs/dbraw/zinc/65/48/70/343654870.db2.gz NKWUYVBFJDFKJW-UHFFFAOYSA-N 0 3 222.357 3.120 20 30 BGEDHN Cc1cccc(CN(C)CCC(C)(C)C#N)c1 ZINC000087595217 134426078 /nfs/dbraw/zinc/42/60/78/134426078.db2.gz WUDONHSUDVQTBV-UHFFFAOYSA-N 0 3 230.355 3.367 20 30 BGEDHN Cc1ccccc1CN(C)CCC(C)(C)C#N ZINC000087595218 383851817 /nfs/dbraw/zinc/85/18/17/383851817.db2.gz IELBOPUCBWRHRB-UHFFFAOYSA-N 0 3 230.355 3.367 20 30 BGEDHN CN(CCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000087595222 359919942 /nfs/dbraw/zinc/91/99/42/359919942.db2.gz UNXMNQRQLCXXGG-UHFFFAOYSA-N 0 3 234.318 3.197 20 30 BGEDHN COc1ccc(CN(C)CCC(C)(C)C#N)cc1 ZINC000087595237 383849644 /nfs/dbraw/zinc/84/96/44/383849644.db2.gz RUWCUTOBKLCFOV-UHFFFAOYSA-N 0 3 246.354 3.067 20 30 BGEDHN COc1cccc(CN(C)CCC(C)(C)C#N)c1 ZINC000087595239 383850328 /nfs/dbraw/zinc/85/03/28/383850328.db2.gz BFVVFQNVPWVLEN-UHFFFAOYSA-N 0 3 246.354 3.067 20 30 BGEDHN C[C@H](NCCCC(C)(C)C#N)c1ccccn1 ZINC000087597321 383852918 /nfs/dbraw/zinc/85/29/18/383852918.db2.gz PWIYUGVDBGNDBC-LBPRGKRZSA-N 0 3 231.343 3.062 20 30 BGEDHN C[C@@H](NCCCC(C)(C)C#N)c1ccccn1 ZINC000087597323 383853745 /nfs/dbraw/zinc/85/37/45/383853745.db2.gz PWIYUGVDBGNDBC-GFCCVEGCSA-N 0 3 231.343 3.062 20 30 BGEDHN CC(C)CN(CCC#N)CCCC(C)(C)C#N ZINC000087598758 640940235 /nfs/dbraw/zinc/94/02/35/640940235.db2.gz DLHMLKJPROMWSL-UHFFFAOYSA-N 0 3 235.375 3.188 20 30 BGEDHN CC(C)(C#N)CCCN1CCc2sccc2C1 ZINC000087608403 383853861 /nfs/dbraw/zinc/85/38/61/383853861.db2.gz YWCRWISOYIRWPW-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN CC(C)(C#N)CCCN1CCc2ccccc2C1 ZINC000087608426 359920167 /nfs/dbraw/zinc/92/01/67/359920167.db2.gz JNHBCMJYNCGQBO-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN Cc1ccc(CN(C)CCCC(C)(C)C#N)o1 ZINC000087608474 383853903 /nfs/dbraw/zinc/85/39/03/383853903.db2.gz JGWJEDWCNMYBMP-UHFFFAOYSA-N 0 3 234.343 3.350 20 30 BGEDHN CN(CCCC(C)(C)C#N)Cc1ccco1 ZINC000087608475 383853371 /nfs/dbraw/zinc/85/33/71/383853371.db2.gz FPXPADZPMCJHRS-UHFFFAOYSA-N 0 3 220.316 3.041 20 30 BGEDHN CN(CCCC(C)(C)C#N)Cc1ccoc1 ZINC000087608537 359919304 /nfs/dbraw/zinc/91/93/04/359919304.db2.gz XXDOZNNYZSSGFX-UHFFFAOYSA-N 0 3 220.316 3.041 20 30 BGEDHN Cc1occc1CN(C)CCCC(C)(C)C#N ZINC000087608538 383853999 /nfs/dbraw/zinc/85/39/99/383853999.db2.gz XUPVPVIGJGOGRS-UHFFFAOYSA-N 0 3 234.343 3.350 20 30 BGEDHN CCN(CCCC(C)(C)C#N)Cc1ccncc1 ZINC000087608570 135159045 /nfs/dbraw/zinc/15/90/45/135159045.db2.gz NXFLIKHWBVLGMP-UHFFFAOYSA-N 0 3 245.370 3.233 20 30 BGEDHN CC(C)(C#N)CCCN1Cc2ccccc2C1 ZINC000087608684 383852933 /nfs/dbraw/zinc/85/29/33/383852933.db2.gz WQCKOHFCESKGJC-UHFFFAOYSA-N 0 3 228.339 3.332 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000087770969 398303870 /nfs/dbraw/zinc/30/38/70/398303870.db2.gz ZIOSUOFBFPSZKK-CJNGLKHVSA-N 0 3 240.350 3.323 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000087770971 398303926 /nfs/dbraw/zinc/30/39/26/398303926.db2.gz ZIOSUOFBFPSZKK-BBRMVZONSA-N 0 3 240.350 3.323 20 30 BGEDHN COc1ccc(CN(C)CCC(C)C)cc1C#N ZINC000087833224 356048596 /nfs/dbraw/zinc/04/85/96/356048596.db2.gz YKIFZRCOTOEVKR-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131718 386323000 /nfs/dbraw/zinc/32/30/00/386323000.db2.gz UZVBKZHCQUMXIG-YNEHKIRRSA-N 0 3 222.376 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131720 386322277 /nfs/dbraw/zinc/32/22/77/386322277.db2.gz UZVBKZHCQUMXIG-XQQFMLRXSA-N 0 3 222.376 3.483 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cccc(OC)c1 ZINC000088162460 384234174 /nfs/dbraw/zinc/23/41/74/384234174.db2.gz FSCVESSJTYIFGL-GFCCVEGCSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cccc(OC)c1 ZINC000088162488 384234407 /nfs/dbraw/zinc/23/44/07/384234407.db2.gz FSCVESSJTYIFGL-LBPRGKRZSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccccc1OC ZINC000088162738 490287674 /nfs/dbraw/zinc/28/76/74/490287674.db2.gz KEYMQHQMBXPMRF-LBPRGKRZSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccccc1OC ZINC000088162764 323150908 /nfs/dbraw/zinc/15/09/08/323150908.db2.gz KEYMQHQMBXPMRF-GFCCVEGCSA-N 0 3 219.328 3.312 20 30 BGEDHN C[C@@H](C#N)CN[C@@H](C)C1CCCCCC1 ZINC000088169156 384986317 /nfs/dbraw/zinc/98/63/17/384986317.db2.gz GLUPXYCIEGTTCE-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](C#N)CN[C@@H](C)C1CCCCCC1 ZINC000088169157 322887143 /nfs/dbraw/zinc/88/71/43/322887143.db2.gz GLUPXYCIEGTTCE-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](C#N)CN[C@H](C)C1CCCCCC1 ZINC000088169251 322886992 /nfs/dbraw/zinc/88/69/92/322886992.db2.gz GLUPXYCIEGTTCE-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NC[C@H](C)C#N)C1CCCCCC1 ZINC000088169252 384986236 /nfs/dbraw/zinc/98/62/36/384986236.db2.gz GLUPXYCIEGTTCE-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CN(CCc1ccccc1)CCC(C)(C)C#N ZINC000088194873 383886178 /nfs/dbraw/zinc/88/61/78/383886178.db2.gz UATCGVNTXVBESG-UHFFFAOYSA-N 0 3 230.355 3.101 20 30 BGEDHN CCCCCCCN(CC)C[C@H](C)C#N ZINC000088204059 644513366 /nfs/dbraw/zinc/51/33/66/644513366.db2.gz OLQWOGWWIDNBQW-CYBMUJFWSA-N 0 3 210.365 3.438 20 30 BGEDHN N#CCC1(CN[C@H]2CCCc3ccccc32)CC1 ZINC000088249625 135518291 /nfs/dbraw/zinc/51/82/91/135518291.db2.gz KIODJSKHRYWBIA-HNNXBMFYSA-N 0 3 240.350 3.347 20 30 BGEDHN N#CCC1(CN[C@@H]2CCCc3ccccc32)CC1 ZINC000088249626 359942577 /nfs/dbraw/zinc/94/25/77/359942577.db2.gz KIODJSKHRYWBIA-OAHLLOKOSA-N 0 3 240.350 3.347 20 30 BGEDHN Cc1nc(C)c([C@@H](C)NCC2(CC#N)CC2)s1 ZINC000088249698 359942057 /nfs/dbraw/zinc/94/20/57/359942057.db2.gz QVKKVRLEVHFTLP-SECBINFHSA-N 0 3 249.383 3.104 20 30 BGEDHN Cc1nc(C)c([C@H](C)NCC2(CC#N)CC2)s1 ZINC000088249699 359942830 /nfs/dbraw/zinc/94/28/30/359942830.db2.gz QVKKVRLEVHFTLP-VIFPVBQESA-N 0 3 249.383 3.104 20 30 BGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000088249748 135518265 /nfs/dbraw/zinc/51/82/65/135518265.db2.gz WQNXFLLAUOFILB-NSHDSACASA-N 0 3 232.302 3.170 20 30 BGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000088249749 135518133 /nfs/dbraw/zinc/51/81/33/135518133.db2.gz WQNXFLLAUOFILB-LLVKDONJSA-N 0 3 232.302 3.170 20 30 BGEDHN Cc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000088249760 359942901 /nfs/dbraw/zinc/94/29/01/359942901.db2.gz COYROAWAXCIVHL-CYBMUJFWSA-N 0 3 228.339 3.340 20 30 BGEDHN Cc1ccccc1[C@H](C)NCC1(CC#N)CC1 ZINC000088249761 359942745 /nfs/dbraw/zinc/94/27/45/359942745.db2.gz COYROAWAXCIVHL-ZDUSSCGKSA-N 0 3 228.339 3.340 20 30 BGEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000088249762 359942565 /nfs/dbraw/zinc/94/25/65/359942565.db2.gz CRHRMBINYPHLQP-NSHDSACASA-N 0 3 232.302 3.170 20 30 BGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1F ZINC000088249763 359942816 /nfs/dbraw/zinc/94/28/16/359942816.db2.gz CRHRMBINYPHLQP-LLVKDONJSA-N 0 3 232.302 3.170 20 30 BGEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(F)c1 ZINC000088249764 135518302 /nfs/dbraw/zinc/51/83/02/135518302.db2.gz ISRSKEBEWUQGAN-NSHDSACASA-N 0 3 232.302 3.170 20 30 BGEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(F)c1 ZINC000088249765 359942255 /nfs/dbraw/zinc/94/22/55/359942255.db2.gz ISRSKEBEWUQGAN-LLVKDONJSA-N 0 3 232.302 3.170 20 30 BGEDHN Cc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000088249793 135517852 /nfs/dbraw/zinc/51/78/52/135517852.db2.gz OOOJCNLQDYSMOZ-CYBMUJFWSA-N 0 3 228.339 3.340 20 30 BGEDHN Cc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000088249794 359942207 /nfs/dbraw/zinc/94/22/07/359942207.db2.gz OOOJCNLQDYSMOZ-ZDUSSCGKSA-N 0 3 228.339 3.340 20 30 BGEDHN Cc1cc([C@@H](C)NCC2(CC#N)CC2)c(C)o1 ZINC000088249825 359942448 /nfs/dbraw/zinc/94/24/48/359942448.db2.gz GFUTWKMWWAKUAE-LLVKDONJSA-N 0 3 232.327 3.241 20 30 BGEDHN Cc1cc([C@H](C)NCC2(CC#N)CC2)c(C)o1 ZINC000088249826 359942695 /nfs/dbraw/zinc/94/26/95/359942695.db2.gz GFUTWKMWWAKUAE-NSHDSACASA-N 0 3 232.327 3.241 20 30 BGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000088249859 359942531 /nfs/dbraw/zinc/94/25/31/359942531.db2.gz NLCGHQRYZPCWJJ-AWEZNQCLSA-N 0 3 228.339 3.421 20 30 BGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000088249860 359942225 /nfs/dbraw/zinc/94/22/25/359942225.db2.gz NLCGHQRYZPCWJJ-CQSZACIVSA-N 0 3 228.339 3.421 20 30 BGEDHN N#CCC1(CN[C@@H]2CCCc3sccc32)CC1 ZINC000088249889 359942765 /nfs/dbraw/zinc/94/27/65/359942765.db2.gz QWZRDXUSMSJMAG-GFCCVEGCSA-N 0 3 246.379 3.409 20 30 BGEDHN N#CCC1(CN[C@H]2CCCc3sccc32)CC1 ZINC000088249890 359942880 /nfs/dbraw/zinc/94/28/80/359942880.db2.gz QWZRDXUSMSJMAG-LBPRGKRZSA-N 0 3 246.379 3.409 20 30 BGEDHN Cc1ccc(CN(C)CC2(CC#N)CC2)cc1 ZINC000088259262 356646581 /nfs/dbraw/zinc/64/65/81/356646581.db2.gz IRHPUVDHXKSWMA-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN CCN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000088259270 356646153 /nfs/dbraw/zinc/64/61/53/356646153.db2.gz PVILWXCKTOGLAM-UHFFFAOYSA-N 0 3 228.339 3.202 20 30 BGEDHN Cc1cccc(CN(C)CC2(CC#N)CC2)c1 ZINC000088259314 356646249 /nfs/dbraw/zinc/64/62/49/356646249.db2.gz MLQAAMNXHJGCIY-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1ccccc1CN(C)CC1(CC#N)CC1 ZINC000088259315 356646757 /nfs/dbraw/zinc/64/67/57/356646757.db2.gz YBUYDPHZKQPXEL-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN CN(Cc1cccc(Cl)c1)CC1(CC#N)CC1 ZINC000088259318 356646999 /nfs/dbraw/zinc/64/69/99/356646999.db2.gz OILNCRREYIHHCA-UHFFFAOYSA-N 0 3 248.757 3.466 20 30 BGEDHN CN(Cc1ccc(Cl)cc1)CC1(CC#N)CC1 ZINC000088259320 356647641 /nfs/dbraw/zinc/64/76/41/356647641.db2.gz LCMPCVVFHXJGEJ-UHFFFAOYSA-N 0 3 248.757 3.466 20 30 BGEDHN CCN(Cc1cccs1)CC1(CC#N)CC1 ZINC000088259346 356647761 /nfs/dbraw/zinc/64/77/61/356647761.db2.gz MLEABOMETUMSBD-UHFFFAOYSA-N 0 3 234.368 3.264 20 30 BGEDHN N#CCC1(CN(Cc2cccs2)C2CC2)CC1 ZINC000088259362 356647076 /nfs/dbraw/zinc/64/70/76/356647076.db2.gz NWYZITXUEZEDNT-UHFFFAOYSA-N 0 3 246.379 3.406 20 30 BGEDHN C[C@@H](c1cccs1)N(C)CC1(CC#N)CC1 ZINC000088259371 356647300 /nfs/dbraw/zinc/64/73/00/356647300.db2.gz HHPFSSZQULRPCI-NSHDSACASA-N 0 3 234.368 3.435 20 30 BGEDHN C[C@H](c1cccs1)N(C)CC1(CC#N)CC1 ZINC000088259372 356647089 /nfs/dbraw/zinc/64/70/89/356647089.db2.gz HHPFSSZQULRPCI-LLVKDONJSA-N 0 3 234.368 3.435 20 30 BGEDHN CC(C)(C)C1CCN(CC2(CC#N)CC2)CC1 ZINC000088259468 356644224 /nfs/dbraw/zinc/64/42/24/356644224.db2.gz SNSLUFVKEMZVGZ-UHFFFAOYSA-N 0 3 234.387 3.438 20 30 BGEDHN N#CCC1(CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000088259471 356644242 /nfs/dbraw/zinc/64/42/42/356644242.db2.gz IKAFWZHNRHFDSW-OAHLLOKOSA-N 0 3 240.350 3.170 20 30 BGEDHN N#CCC1(CN2CC[C@H](c3ccccc3)C2)CC1 ZINC000088259472 356644151 /nfs/dbraw/zinc/64/41/51/356644151.db2.gz IKAFWZHNRHFDSW-HNNXBMFYSA-N 0 3 240.350 3.170 20 30 BGEDHN N#CCC1(CN2CCCc3ccccc3C2)CC1 ZINC000088259507 356644818 /nfs/dbraw/zinc/64/48/18/356644818.db2.gz OHOQDIDFIFGNQP-UHFFFAOYSA-N 0 3 240.350 3.129 20 30 BGEDHN CN(CCCC(C)(C)C#N)CCC(F)(F)F ZINC000088420083 359953116 /nfs/dbraw/zinc/95/31/16/359953116.db2.gz FVCSFFJWSAFOQM-UHFFFAOYSA-N 0 3 236.281 3.201 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@H](C(F)(F)F)C1 ZINC000088420299 359953083 /nfs/dbraw/zinc/95/30/83/359953083.db2.gz RWUWTRSZNDVPIU-JTQLQIEISA-N 0 3 248.292 3.201 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000088420300 359953384 /nfs/dbraw/zinc/95/33/84/359953384.db2.gz RWUWTRSZNDVPIU-SNVBAGLBSA-N 0 3 248.292 3.201 20 30 BGEDHN CC(C)(C#N)CCN1CCC(C(F)(F)F)CC1 ZINC000088420415 359953212 /nfs/dbraw/zinc/95/32/12/359953212.db2.gz PRPQFKORKVNGJE-UHFFFAOYSA-N 0 3 248.292 3.201 20 30 BGEDHN CC[C@@H](C)CN(CCC#N)CC(C)(C)C ZINC000088512247 359964350 /nfs/dbraw/zinc/96/43/50/359964350.db2.gz BQEHUPYVNTUHBM-GFCCVEGCSA-N 0 3 210.365 3.294 20 30 BGEDHN CC[C@H](C)CN(CCC#N)CC(C)(C)C ZINC000088512250 359964757 /nfs/dbraw/zinc/96/47/57/359964757.db2.gz BQEHUPYVNTUHBM-LBPRGKRZSA-N 0 3 210.365 3.294 20 30 BGEDHN CC[C@@H](C)CN(CCC#N)CCC(C)C ZINC000088535230 383909006 /nfs/dbraw/zinc/90/90/06/383909006.db2.gz SPYLAPYSLXKUJU-CYBMUJFWSA-N 0 3 210.365 3.294 20 30 BGEDHN CC[C@H](C)CN(CCC#N)CCC(C)C ZINC000088535231 359965856 /nfs/dbraw/zinc/96/58/56/359965856.db2.gz SPYLAPYSLXKUJU-ZDUSSCGKSA-N 0 3 210.365 3.294 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000088704521 135524843 /nfs/dbraw/zinc/52/48/43/135524843.db2.gz QLSAZEGKENJORY-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000088704522 356790364 /nfs/dbraw/zinc/79/03/64/356790364.db2.gz QLSAZEGKENJORY-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC000088704523 356790207 /nfs/dbraw/zinc/79/02/07/356790207.db2.gz QLSAZEGKENJORY-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(C#N)cc1F ZINC000088704524 356790296 /nfs/dbraw/zinc/79/02/96/356790296.db2.gz QLSAZEGKENJORY-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000088704609 356789489 /nfs/dbraw/zinc/78/94/89/356789489.db2.gz HTECKOIUXPVNBD-OLZOCXBDSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000088704610 356790106 /nfs/dbraw/zinc/79/01/06/356790106.db2.gz HTECKOIUXPVNBD-STQMWFEESA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000088704611 356789827 /nfs/dbraw/zinc/78/98/27/356789827.db2.gz HTECKOIUXPVNBD-CHWSQXEVSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1ccccc1C#N ZINC000088704612 356790054 /nfs/dbraw/zinc/79/00/54/356790054.db2.gz HTECKOIUXPVNBD-QWHCGFSZSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000088704613 356790348 /nfs/dbraw/zinc/79/03/48/356790348.db2.gz MJZYTAORBSHCMB-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000088704614 356789666 /nfs/dbraw/zinc/78/96/66/356789666.db2.gz MJZYTAORBSHCMB-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC000088704615 356789713 /nfs/dbraw/zinc/78/97/13/356789713.db2.gz MJZYTAORBSHCMB-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1cc(C#N)ccc1F ZINC000088704616 356790648 /nfs/dbraw/zinc/79/06/48/356790648.db2.gz MJZYTAORBSHCMB-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1cccnc1 ZINC000089264712 345552141 /nfs/dbraw/zinc/55/21/41/345552141.db2.gz RWJSITCLLPYNLY-ZDUSSCGKSA-N 0 3 218.344 3.258 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1cccnc1 ZINC000089264713 345552255 /nfs/dbraw/zinc/55/22/55/345552255.db2.gz RWJSITCLLPYNLY-CYBMUJFWSA-N 0 3 218.344 3.258 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCSCC1 ZINC000089981367 176013430 /nfs/dbraw/zinc/01/34/30/176013430.db2.gz AGNLNAXXYPCMIY-LBPRGKRZSA-N 0 3 246.379 3.058 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCSCC1 ZINC000089981368 177033270 /nfs/dbraw/zinc/03/32/70/177033270.db2.gz AGNLNAXXYPCMIY-GFCCVEGCSA-N 0 3 246.379 3.058 20 30 BGEDHN COc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000090340006 384042703 /nfs/dbraw/zinc/04/27/03/384042703.db2.gz MUVKYCVOLZQEOV-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 ZINC000090340007 384041213 /nfs/dbraw/zinc/04/12/13/384041213.db2.gz MUVKYCVOLZQEOV-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000090340310 360070371 /nfs/dbraw/zinc/07/03/71/360070371.db2.gz JVNFMSQVGSSHCV-LBPRGKRZSA-N 0 3 244.338 3.040 20 30 BGEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000090340311 360070219 /nfs/dbraw/zinc/07/02/19/360070219.db2.gz JVNFMSQVGSSHCV-GFCCVEGCSA-N 0 3 244.338 3.040 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(C)o1 ZINC000090397685 343930922 /nfs/dbraw/zinc/93/09/22/343930922.db2.gz AMSVPPZJWZTUBG-GFCCVEGCSA-N 0 3 205.301 3.042 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(C)o1 ZINC000090397692 343931087 /nfs/dbraw/zinc/93/10/87/343931087.db2.gz AMSVPPZJWZTUBG-LBPRGKRZSA-N 0 3 205.301 3.042 20 30 BGEDHN C#CCCCCN[C@@H](C)c1cccnc1Cl ZINC000090398445 533033523 /nfs/dbraw/zinc/03/35/23/533033523.db2.gz MEBJUHRYGSMNHH-NSHDSACASA-N 0 3 236.746 3.189 20 30 BGEDHN C#CCCCCN[C@H](C)c1cccnc1Cl ZINC000090398448 353387430 /nfs/dbraw/zinc/38/74/30/353387430.db2.gz MEBJUHRYGSMNHH-LLVKDONJSA-N 0 3 236.746 3.189 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(CC)o1 ZINC000090398741 136227271 /nfs/dbraw/zinc/22/72/71/136227271.db2.gz LOZIYRDANMEDDI-GFCCVEGCSA-N 0 3 219.328 3.296 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(CC)o1 ZINC000090398742 533034271 /nfs/dbraw/zinc/03/42/71/533034271.db2.gz LOZIYRDANMEDDI-LBPRGKRZSA-N 0 3 219.328 3.296 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(OC)cc1F ZINC000090399211 533033313 /nfs/dbraw/zinc/03/33/13/533033313.db2.gz INCQFKJIZONTHQ-LBPRGKRZSA-N 0 3 249.329 3.288 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(OC)cc1F ZINC000090399214 353387898 /nfs/dbraw/zinc/38/78/98/353387898.db2.gz INCQFKJIZONTHQ-GFCCVEGCSA-N 0 3 249.329 3.288 20 30 BGEDHN C=C(C)COCCN[C@@H](CC)c1cccs1 ZINC000090450730 384822596 /nfs/dbraw/zinc/82/25/96/384822596.db2.gz DVPVABQQIAGINR-LBPRGKRZSA-N 0 3 239.384 3.382 20 30 BGEDHN C=C(C)COCCN[C@H](CC)c1cccs1 ZINC000090450733 384822575 /nfs/dbraw/zinc/82/25/75/384822575.db2.gz DVPVABQQIAGINR-GFCCVEGCSA-N 0 3 239.384 3.382 20 30 BGEDHN C=C(C)COCCN[C@@H]1CCc2ccc(C)cc21 ZINC000090450945 384821586 /nfs/dbraw/zinc/82/15/86/384821586.db2.gz GKQTTXYIACRXLE-MRXNPFEDSA-N 0 3 245.366 3.165 20 30 BGEDHN C=C(C)COCCN[C@H]1CCc2ccc(C)cc21 ZINC000090450946 384822900 /nfs/dbraw/zinc/82/29/00/384822900.db2.gz GKQTTXYIACRXLE-INIZCTEOSA-N 0 3 245.366 3.165 20 30 BGEDHN C=C(C)COCCN[C@@H](CCC)c1ccccn1 ZINC000090450972 360072792 /nfs/dbraw/zinc/07/27/92/360072792.db2.gz LFPKSVKZQVCOSC-AWEZNQCLSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C(C)COCCN[C@H](CCC)c1ccccn1 ZINC000090450973 135549512 /nfs/dbraw/zinc/54/95/12/135549512.db2.gz LFPKSVKZQVCOSC-CQSZACIVSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccc(C)cc1 ZINC000090451019 256564351 /nfs/dbraw/zinc/56/43/51/256564351.db2.gz CDRUTQFOVAXCSF-CQSZACIVSA-N 0 3 233.355 3.238 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)cc1 ZINC000090451020 384821947 /nfs/dbraw/zinc/82/19/47/384821947.db2.gz CDRUTQFOVAXCSF-AWEZNQCLSA-N 0 3 233.355 3.238 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccc(C)s1 ZINC000090451148 384821240 /nfs/dbraw/zinc/82/12/40/384821240.db2.gz XVTLTXZHWDMLTA-GFCCVEGCSA-N 0 3 239.384 3.300 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccc(C)s1 ZINC000090451149 384822085 /nfs/dbraw/zinc/82/20/85/384822085.db2.gz XVTLTXZHWDMLTA-LBPRGKRZSA-N 0 3 239.384 3.300 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccc(CC)o1 ZINC000090451184 360073152 /nfs/dbraw/zinc/07/31/52/360073152.db2.gz ODPHEDIKNBMXMR-GFCCVEGCSA-N 0 3 237.343 3.085 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C=CC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000093359325 388836585 /nfs/dbraw/zinc/83/65/85/388836585.db2.gz WMFMPOSJHHMKFE-UHFFFAOYSA-N 0 3 248.395 3.419 20 30 BGEDHN C=CC1CCN(Cc2ccsc2)CC1 ZINC000093359334 360235644 /nfs/dbraw/zinc/23/56/44/360235644.db2.gz QFVPAMAGRSOMDP-UHFFFAOYSA-N 0 3 207.342 3.146 20 30 BGEDHN C=CC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093359343 360235532 /nfs/dbraw/zinc/23/55/32/360235532.db2.gz XIUWZFZFZNWGFN-UHFFFAOYSA-N 0 3 247.386 3.036 20 30 BGEDHN C=CCN(Cc1c[nH]nc1C)CC1CCCCC1 ZINC000093382965 360237321 /nfs/dbraw/zinc/23/73/21/360237321.db2.gz GBYKXHTYKSXUFJ-UHFFFAOYSA-N 0 3 247.386 3.286 20 30 BGEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000093440653 388743334 /nfs/dbraw/zinc/74/33/34/388743334.db2.gz YDOQOGSONXWHSL-CYBMUJFWSA-N 0 3 246.354 3.409 20 30 BGEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000093440654 388742713 /nfs/dbraw/zinc/74/27/13/388742713.db2.gz YDOQOGSONXWHSL-ZDUSSCGKSA-N 0 3 246.354 3.409 20 30 BGEDHN CC(C)[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000093444075 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360251072 /nfs/dbraw/zinc/25/10/72/360251072.db2.gz OIVBEBCACRTOSW-UHFFFAOYSA-N 0 3 248.370 3.274 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(C#N)o1 ZINC000093498001 353487961 /nfs/dbraw/zinc/48/79/61/353487961.db2.gz FFVNMBPYDBAICV-UHFFFAOYSA-N 0 3 232.327 3.329 20 30 BGEDHN C=CCCCCCN(C)Cc1ccoc1 ZINC000093498053 345673541 /nfs/dbraw/zinc/67/35/41/345673541.db2.gz CFOIWXSTZHUUPT-UHFFFAOYSA-N 0 3 207.317 3.458 20 30 BGEDHN C=CCCCCCN(C)Cc1cccn1C ZINC000093498084 360250813 /nfs/dbraw/zinc/25/08/13/360250813.db2.gz FEDJHVAIPXVQDK-UHFFFAOYSA-N 0 3 220.360 3.203 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000093499171 361225265 /nfs/dbraw/zinc/22/52/65/361225265.db2.gz QWMANGSAPNWRQE-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000093499176 362256824 /nfs/dbraw/zinc/25/68/24/362256824.db2.gz QWMANGSAPNWRQE-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000093499177 371175482 /nfs/dbraw/zinc/17/54/82/371175482.db2.gz 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/nfs/dbraw/zinc/25/54/21/360255421.db2.gz VKKYMZQERQGFSH-UHFFFAOYSA-N 0 3 235.375 3.105 20 30 BGEDHN C=CCCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000093533654 353489753 /nfs/dbraw/zinc/48/97/53/353489753.db2.gz XLYLVEIDOJDVBJ-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000093533654 353489750 /nfs/dbraw/zinc/48/97/50/353489750.db2.gz XLYLVEIDOJDVBJ-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCCN(C)Cc1ccccc1NC(C)=O ZINC000093533668 353489304 /nfs/dbraw/zinc/48/93/04/353489304.db2.gz GYIAGVUMBOQZAR-UHFFFAOYSA-N 0 3 246.354 3.043 20 30 BGEDHN C=CCCCN(C)Cc1cc(C#N)cs1 ZINC000093533671 360256039 /nfs/dbraw/zinc/25/60/39/360256039.db2.gz BXNWYHPDJCXKPO-UHFFFAOYSA-N 0 3 220.341 3.018 20 30 BGEDHN C=CCCCN(C)Cc1cnc(C2CC2)s1 ZINC000093533673 388841335 /nfs/dbraw/zinc/84/13/35/388841335.db2.gz AYTCYANJZAKIAP-UHFFFAOYSA-N 0 3 236.384 3.419 20 30 BGEDHN C=CCCCN(C)Cc1cnn(C(C)(C)C)c1 ZINC000093533691 353490194 /nfs/dbraw/zinc/49/01/94/353490194.db2.gz 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BGEDHN CCC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000093704725 388746923 /nfs/dbraw/zinc/74/69/23/388746923.db2.gz SWIWIACGFDOURP-LBPRGKRZSA-N 0 3 232.327 3.163 20 30 BGEDHN CC(C)C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000093716485 360273407 /nfs/dbraw/zinc/27/34/07/360273407.db2.gz UANSBYRSNKIRDB-ZDUSSCGKSA-N 0 3 246.354 3.409 20 30 BGEDHN CC(C)C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000093716486 371185992 /nfs/dbraw/zinc/18/59/92/371185992.db2.gz UANSBYRSNKIRDB-CYBMUJFWSA-N 0 3 246.354 3.409 20 30 BGEDHN C#CCN(Cc1ccsc1)C1CCCC1 ZINC000093819847 644699948 /nfs/dbraw/zinc/69/99/48/644699948.db2.gz QBVBDBNWNMNRAH-UHFFFAOYSA-N 0 3 219.353 3.126 20 30 BGEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)o1 ZINC000093844917 386970881 /nfs/dbraw/zinc/97/08/81/386970881.db2.gz UTCMHAYCGHLOCE-LLVKDONJSA-N 0 3 220.316 3.019 20 30 BGEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)o1 ZINC000093844918 171278457 /nfs/dbraw/zinc/27/84/57/171278457.db2.gz UTCMHAYCGHLOCE-NSHDSACASA-N 0 3 220.316 3.019 20 30 BGEDHN CC(C)(C)C1CN(Cc2ccc(C#N)cc2)C1 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ZINC000097861991 360381351 /nfs/dbraw/zinc/38/13/51/360381351.db2.gz FYXLFCYODQUDES-NSHDSACASA-N 0 3 226.323 3.207 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2nc(C)ccc2c1 ZINC000097861992 360381303 /nfs/dbraw/zinc/38/13/03/360381303.db2.gz FYXLFCYODQUDES-LLVKDONJSA-N 0 3 226.323 3.207 20 30 BGEDHN CCC(CC)CN(CCC#N)CC(C)C ZINC000097992765 386574343 /nfs/dbraw/zinc/57/43/43/386574343.db2.gz JYHIBEANHDJMEX-UHFFFAOYSA-N 0 3 210.365 3.294 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(NC(C)=O)c1 ZINC000101726261 136331441 /nfs/dbraw/zinc/33/14/41/136331441.db2.gz QBKUZDKTOOBQJD-UHFFFAOYSA-N 0 3 246.354 3.043 20 30 BGEDHN N#CC(C(=O)C1CCCCCC1)c1ccccn1 ZINC000102118572 587803651 /nfs/dbraw/zinc/80/36/51/587803651.db2.gz LGFLMYNTFLWFKZ-CYBMUJFWSA-N 0 3 242.322 3.228 20 30 BGEDHN N#CC(C(=O)C1CCCCCC1)c1ccccn1 ZINC000102118578 587803700 /nfs/dbraw/zinc/80/37/00/587803700.db2.gz LGFLMYNTFLWFKZ-ZDUSSCGKSA-N 0 3 242.322 3.228 20 30 BGEDHN C=C(Br)CN1CCC[C@@H]1C1CCC1 ZINC000102950116 587903573 /nfs/dbraw/zinc/90/35/73/587903573.db2.gz WXPDGVUMCUDNKE-LLVKDONJSA-N 0 3 244.176 3.160 20 30 BGEDHN C=C(Br)CN1CCC[C@H]1C1CCC1 ZINC000102950117 587903406 /nfs/dbraw/zinc/90/34/06/587903406.db2.gz WXPDGVUMCUDNKE-NSHDSACASA-N 0 3 244.176 3.160 20 30 BGEDHN CN(Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000103138522 387369205 /nfs/dbraw/zinc/36/92/05/387369205.db2.gz TVWXKRDTHLPXAN-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CCN(Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000103140701 357999433 /nfs/dbraw/zinc/99/94/33/357999433.db2.gz VEIDDTVLXGWXEI-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC)c(C)c1 ZINC000103145097 384596136 /nfs/dbraw/zinc/59/61/36/384596136.db2.gz BAUMUPXCIDXZOX-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN CCCN(Cc1ccc(F)cc1C#N)CC1CC1 ZINC000103225549 169175916 /nfs/dbraw/zinc/17/59/16/169175916.db2.gz HVWOMDPKZAULAA-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CCN(Cc1ccc(F)cc1C#N)CC(C)C ZINC000103226317 358010957 /nfs/dbraw/zinc/01/09/57/358010957.db2.gz RZYMCCLWDJKYGQ-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C=C(C)CN1CCC(N(C)c2ccccc2)CC1 ZINC000103471060 384773800 /nfs/dbraw/zinc/77/38/00/384773800.db2.gz YXHQWSOICVJOJI-UHFFFAOYSA-N 0 3 244.382 3.163 20 30 BGEDHN C=C(C)C[N@H+](CCC)Cc1ccccc1[O-] ZINC000103479551 136332279 /nfs/dbraw/zinc/33/22/79/136332279.db2.gz VBJYLPKIVVXCNB-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN C=C(C)C[N@@H+](CCC)Cc1ccccc1[O-] ZINC000103479551 136332278 /nfs/dbraw/zinc/33/22/78/136332278.db2.gz VBJYLPKIVVXCNB-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN C=C(C)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000103479722 358436505 /nfs/dbraw/zinc/43/65/05/358436505.db2.gz NQTXLKWIAFNMNI-UHFFFAOYSA-N 0 3 248.345 3.278 20 30 BGEDHN CC(C)(NCCCC#N)c1ccc(Cl)cc1 ZINC000103482099 346579305 /nfs/dbraw/zinc/57/93/05/346579305.db2.gz SEESTYFPUWSGHY-UHFFFAOYSA-N 0 3 236.746 3.468 20 30 BGEDHN CCCCCCCNCc1nccs1 ZINC000104242702 587950526 /nfs/dbraw/zinc/95/05/26/587950526.db2.gz MUCMIUHCCTYFMW-UHFFFAOYSA-N 0 3 212.362 3.203 20 30 BGEDHN CCCCCCC[C@@H](C)NCc1cc[nH]n1 ZINC000104246482 587950545 /nfs/dbraw/zinc/95/05/45/587950545.db2.gz WNXDFBXZUSSZSX-GFCCVEGCSA-N 0 3 223.364 3.248 20 30 BGEDHN CCCCCCC[C@H](C)NCc1cc[nH]n1 ZINC000104246484 587950530 /nfs/dbraw/zinc/95/05/30/587950530.db2.gz WNXDFBXZUSSZSX-LBPRGKRZSA-N 0 3 223.364 3.248 20 30 BGEDHN C#CCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000104356857 166134366 /nfs/dbraw/zinc/13/43/66/166134366.db2.gz ZGCMASSPCORQGS-NSHDSACASA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000104356862 166134465 /nfs/dbraw/zinc/13/44/65/166134465.db2.gz ZGCMASSPCORQGS-LLVKDONJSA-N 0 3 221.731 3.356 20 30 BGEDHN CC[C@H](C)N(C)Cc1cn2ccccc2c1C#N ZINC000104686462 171309968 /nfs/dbraw/zinc/30/99/68/171309968.db2.gz RAKUVFVWSOYLHJ-LBPRGKRZSA-N 0 3 241.338 3.041 20 30 BGEDHN C=CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104703518 323286855 /nfs/dbraw/zinc/28/68/55/323286855.db2.gz SMGOHLJMPMGDAO-CQSZACIVSA-N 0 3 219.303 3.443 20 30 BGEDHN C=CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104703522 323286849 /nfs/dbraw/zinc/28/68/49/323286849.db2.gz SMGOHLJMPMGDAO-AWEZNQCLSA-N 0 3 219.303 3.443 20 30 BGEDHN C=CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000104707321 323286729 /nfs/dbraw/zinc/28/67/29/323286729.db2.gz RPCZPAWCOJYUSA-UHFFFAOYSA-N 0 3 221.731 3.495 20 30 BGEDHN CC(C)(C)SCCNCc1cccc(C#N)c1 ZINC000105435636 166690442 /nfs/dbraw/zinc/69/04/42/166690442.db2.gz WFFAPUXZEKYSFA-UHFFFAOYSA-N 0 3 248.395 3.180 20 30 BGEDHN C=CCSCCNCc1ccc(Cl)cc1 ZINC000105462534 134861200 /nfs/dbraw/zinc/86/12/00/134861200.db2.gz FOTGKLFKFPFNCA-UHFFFAOYSA-N 0 3 241.787 3.349 20 30 BGEDHN CCCCCCCNCc1c(C)noc1C ZINC000105807345 588224320 /nfs/dbraw/zinc/22/43/20/588224320.db2.gz VLJFBVHAVLAKDX-UHFFFAOYSA-N 0 3 224.348 3.351 20 30 BGEDHN CCCCCCCCCNCc1nccn1C ZINC000105968765 588236171 /nfs/dbraw/zinc/23/61/71/588236171.db2.gz SIXVYLYXOXLTNF-UHFFFAOYSA-N 0 3 237.391 3.260 20 30 BGEDHN CCCCCCCNCc1cc(C)no1 ZINC000106040128 592703635 /nfs/dbraw/zinc/70/36/35/592703635.db2.gz OAPPHMQQIHZXJD-UHFFFAOYSA-N 0 3 210.321 3.043 20 30 BGEDHN CCCCCCCCNCc1cc(C)no1 ZINC000106040131 592703845 /nfs/dbraw/zinc/70/38/45/592703845.db2.gz BPNOXTCFFYLRKJ-UHFFFAOYSA-N 0 3 224.348 3.433 20 30 BGEDHN CCCCCCC[NH2+]Cc1ccccc1[O-] ZINC000106202774 588260110 /nfs/dbraw/zinc/26/01/10/588260110.db2.gz JKYZNZFVMJRFGN-UHFFFAOYSA-N 0 3 221.344 3.452 20 30 BGEDHN CCCCCCCNCc1cccc(OC)n1 ZINC000106218842 588259938 /nfs/dbraw/zinc/25/99/38/588259938.db2.gz MQIDRANHOABISG-UHFFFAOYSA-N 0 3 236.359 3.150 20 30 BGEDHN C[C@H]1CC[C@@H](NCc2ccc(C#N)cc2F)CC1 ZINC000106233626 177193214 /nfs/dbraw/zinc/19/32/14/177193214.db2.gz NKEUYOITVBSEEZ-YEORSEQZSA-N 0 3 246.329 3.366 20 30 BGEDHN Cc1ccccc1C1CCN(CCCC#N)CC1 ZINC000106861452 384938631 /nfs/dbraw/zinc/93/86/31/384938631.db2.gz XCZGUUXJSJQRAB-UHFFFAOYSA-N 0 3 242.366 3.478 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1sc(C)nc1C ZINC000106875505 355796690 /nfs/dbraw/zinc/79/66/90/355796690.db2.gz JAQDNLMJYFXVCX-SNVBAGLBSA-N 0 3 224.373 3.329 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1sc(C)nc1C ZINC000106875507 133959137 /nfs/dbraw/zinc/95/91/37/133959137.db2.gz JAQDNLMJYFXVCX-JTQLQIEISA-N 0 3 224.373 3.329 20 30 BGEDHN CCCCCCC[C@@H](C)NC[C@@H](C)C#N ZINC000107599310 588384050 /nfs/dbraw/zinc/38/40/50/588384050.db2.gz DSETYOJECFCNAY-QWHCGFSZSA-N 0 3 210.365 3.485 20 30 BGEDHN CCCCCCC[C@H](C)NC[C@@H](C)C#N ZINC000107599315 588384108 /nfs/dbraw/zinc/38/41/08/588384108.db2.gz DSETYOJECFCNAY-STQMWFEESA-N 0 3 210.365 3.485 20 30 BGEDHN CCCCCCC[C@@H](C)NC[C@H](C)C#N ZINC000107599321 588384058 /nfs/dbraw/zinc/38/40/58/588384058.db2.gz DSETYOJECFCNAY-CHWSQXEVSA-N 0 3 210.365 3.485 20 30 BGEDHN CCCCCCC[C@H](C)NC[C@H](C)C#N ZINC000107599326 588384409 /nfs/dbraw/zinc/38/44/09/588384409.db2.gz DSETYOJECFCNAY-OLZOCXBDSA-N 0 3 210.365 3.485 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccccc1C#N ZINC000109462032 398296094 /nfs/dbraw/zinc/29/60/94/398296094.db2.gz ZHTOMARBMXUMGG-OAHLLOKOSA-N 0 3 228.339 3.179 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000109462181 398296205 /nfs/dbraw/zinc/29/62/05/398296205.db2.gz HQAHOKKMSOUNEB-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000109462184 187315170 /nfs/dbraw/zinc/31/51/70/187315170.db2.gz HQAHOKKMSOUNEB-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000109462190 398296040 /nfs/dbraw/zinc/29/60/40/398296040.db2.gz UJNLXOWMORBMKH-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)CCN(CCC#N)CC(C)(C)C ZINC000109812903 344535464 /nfs/dbraw/zinc/53/54/64/344535464.db2.gz VJGNVZMHYXEVIM-UHFFFAOYSA-N 0 3 210.365 3.294 20 30 BGEDHN C=C(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000110057548 385378854 /nfs/dbraw/zinc/37/88/54/385378854.db2.gz FZSKTRIKRSJFKQ-UHFFFAOYSA-N 0 3 248.329 3.361 20 30 BGEDHN C=C(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000110057569 385379218 /nfs/dbraw/zinc/37/92/18/385379218.db2.gz ZBLIAOWRLIZNJT-UHFFFAOYSA-N 0 3 248.329 3.361 20 30 BGEDHN C=C(CNCc1ccccc1)c1ccccc1 ZINC000110057629 491068843 /nfs/dbraw/zinc/06/88/43/491068843.db2.gz ZBOCYWNFIZDEDF-UHFFFAOYSA-N 0 3 223.319 3.490 20 30 BGEDHN C=C(C)CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000110290801 323116020 /nfs/dbraw/zinc/11/60/20/323116020.db2.gz ZXHXCFFSMNLFOU-UHFFFAOYSA-N 0 3 233.355 3.320 20 30 BGEDHN CC(C)CCN(CCC#N)C1CCCC1 ZINC000110364363 385413618 /nfs/dbraw/zinc/41/36/18/385413618.db2.gz HTGXRHXDAHFWCA-UHFFFAOYSA-N 0 3 208.349 3.191 20 30 BGEDHN CCCCCCCCCNCc1ccnn1C ZINC000110442381 588670290 /nfs/dbraw/zinc/67/02/90/588670290.db2.gz XHGSXKZUABLCGA-UHFFFAOYSA-N 0 3 237.391 3.260 20 30 BGEDHN C=CC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000111166051 588725289 /nfs/dbraw/zinc/72/52/89/588725289.db2.gz NUJZEFBZGXGAKF-UHFFFAOYSA-N 0 3 245.366 3.407 20 30 BGEDHN N#Cc1ccccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000111249576 370116830 /nfs/dbraw/zinc/11/68/30/370116830.db2.gz UBTUYBCQXFCUGY-BBRMVZONSA-N 0 3 240.350 3.323 20 30 BGEDHN CC(C)(C)CN(CCC#N)CC1CCCC1 ZINC000111250773 411116862 /nfs/dbraw/zinc/11/68/62/411116862.db2.gz TXALHLQRBZUUCK-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000111256324 191130162 /nfs/dbraw/zinc/13/01/62/191130162.db2.gz SDZNDQAMIYFJSE-UHFFFAOYSA-N 0 3 219.303 3.224 20 30 BGEDHN C=CC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000111256852 191130189 /nfs/dbraw/zinc/13/01/89/191130189.db2.gz JKANETYNFGYUJB-UHFFFAOYSA-N 0 3 243.350 3.020 20 30 BGEDHN C=CC1CCN(Cc2ccccc2F)CC1 ZINC000111257376 191130262 /nfs/dbraw/zinc/13/02/62/191130262.db2.gz MHLFVBRECRZRIV-UHFFFAOYSA-N 0 3 219.303 3.224 20 30 BGEDHN C=CC1CCN(Cc2cccc(F)c2)CC1 ZINC000111258324 347473060 /nfs/dbraw/zinc/47/30/60/347473060.db2.gz FFUSAFLATGAHHB-UHFFFAOYSA-N 0 3 219.303 3.224 20 30 BGEDHN C=CC1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000111258360 347472738 /nfs/dbraw/zinc/47/27/38/347472738.db2.gz WECXSYIOWCZCQU-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN N#CCCCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306657 344587200 /nfs/dbraw/zinc/58/72/00/344587200.db2.gz VBWQAPVWNUUTEC-CYBMUJFWSA-N 0 3 248.757 3.433 20 30 BGEDHN N#CCCCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306659 344587444 /nfs/dbraw/zinc/58/74/44/344587444.db2.gz VBWQAPVWNUUTEC-ZDUSSCGKSA-N 0 3 248.757 3.433 20 30 BGEDHN C=CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306796 370125485 /nfs/dbraw/zinc/12/54/85/370125485.db2.gz BSEYMPOFASABLR-LBPRGKRZSA-N 0 3 221.731 3.315 20 30 BGEDHN C=CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306798 370125935 /nfs/dbraw/zinc/12/59/35/370125935.db2.gz BSEYMPOFASABLR-GFCCVEGCSA-N 0 3 221.731 3.315 20 30 BGEDHN Cc1nc2c(s1)[C@H](N(C)CCCC#N)CCC2 ZINC000111312469 344587915 /nfs/dbraw/zinc/58/79/15/344587915.db2.gz CYVBWBWTLYGSOC-GFCCVEGCSA-N 0 3 249.383 3.065 20 30 BGEDHN Cc1nc2c(s1)[C@@H](N(C)CCCC#N)CCC2 ZINC000111312470 344588091 /nfs/dbraw/zinc/58/80/91/344588091.db2.gz CYVBWBWTLYGSOC-LBPRGKRZSA-N 0 3 249.383 3.065 20 30 BGEDHN C=C(C)CN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000111312775 355878838 /nfs/dbraw/zinc/87/88/38/355878838.db2.gz QRJWCUDBOWYDCW-GFCCVEGCSA-N 0 3 236.384 3.337 20 30 BGEDHN C=C(C)CN(C)[C@H]1CCCc2nc(C)sc21 ZINC000111312778 355879136 /nfs/dbraw/zinc/87/91/36/355879136.db2.gz QRJWCUDBOWYDCW-LBPRGKRZSA-N 0 3 236.384 3.337 20 30 BGEDHN CC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000111621068 168042416 /nfs/dbraw/zinc/04/24/16/168042416.db2.gz UOIHUZQFDABABL-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN C=CC1CCN(Cc2cccc(OC)c2)CC1 ZINC000111693146 350200416 /nfs/dbraw/zinc/20/04/16/350200416.db2.gz QYVMHHBFJPRSCP-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN CCCCCCCCCNCc1ccn(C)n1 ZINC000112339408 588794664 /nfs/dbraw/zinc/79/46/64/588794664.db2.gz KVONZCAIYKIYGI-UHFFFAOYSA-N 0 3 237.391 3.260 20 30 BGEDHN CCCCCCCCNCc1nccn1CC ZINC000112345419 588794694 /nfs/dbraw/zinc/79/46/94/588794694.db2.gz IDHMDMPCSXKKMF-UHFFFAOYSA-N 0 3 237.391 3.353 20 30 BGEDHN CCCCCCC[C@@H](C)NCc1ncc[nH]1 ZINC000112604697 592708514 /nfs/dbraw/zinc/70/85/14/592708514.db2.gz HQUASOLLKXGHAE-GFCCVEGCSA-N 0 3 223.364 3.248 20 30 BGEDHN CCCCCCC[C@H](C)NCc1ncc[nH]1 ZINC000112604699 592708677 /nfs/dbraw/zinc/70/86/77/592708677.db2.gz HQUASOLLKXGHAE-LBPRGKRZSA-N 0 3 223.364 3.248 20 30 BGEDHN CCCCCCCN1CCC(C#N)CC1 ZINC000112905020 588819989 /nfs/dbraw/zinc/81/99/89/588819989.db2.gz IHMDRWVWSZUJKX-UHFFFAOYSA-N 0 3 208.349 3.192 20 30 BGEDHN C=C(C)CN1CCC[C@H]1COc1ccccc1 ZINC000112984835 323173055 /nfs/dbraw/zinc/17/30/55/323173055.db2.gz ZIDQNWKQOVRMRP-AWEZNQCLSA-N 0 3 231.339 3.106 20 30 BGEDHN C[C@]1(c2ccccc2)CCCN(CCCC#N)C1 ZINC000113264897 354448601 /nfs/dbraw/zinc/44/86/01/354448601.db2.gz ASTMYOXRWYVJGB-INIZCTEOSA-N 0 3 242.366 3.344 20 30 BGEDHN C[C@@]1(c2ccccc2)CCCN(CCCC#N)C1 ZINC000113264899 354448658 /nfs/dbraw/zinc/44/86/58/354448658.db2.gz ASTMYOXRWYVJGB-MRXNPFEDSA-N 0 3 242.366 3.344 20 30 BGEDHN CN(CCCC#N)CCc1ccc(Cl)cc1 ZINC000113265858 385997760 /nfs/dbraw/zinc/99/77/60/385997760.db2.gz GXXMZBVMRYIHNW-UHFFFAOYSA-N 0 3 236.746 3.118 20 30 BGEDHN C=CCN(C)CCc1ccc(Cl)cc1 ZINC000113266228 386001280 /nfs/dbraw/zinc/00/12/80/386001280.db2.gz AGALUNYWCCEQJZ-UHFFFAOYSA-N 0 3 209.720 3.000 20 30 BGEDHN C[C@@H](NCc1ccccc1C#N)C(C)(C)C ZINC000114196622 398309373 /nfs/dbraw/zinc/30/93/73/398309373.db2.gz LNEYDCKDCRRJIA-LLVKDONJSA-N 0 3 216.328 3.082 20 30 BGEDHN C=CCN(CCCCOC)Cc1cccs1 ZINC000114205781 134177126 /nfs/dbraw/zinc/17/71/26/134177126.db2.gz MMMBVXIOKHDAAW-UHFFFAOYSA-N 0 3 239.384 3.163 20 30 BGEDHN C[C@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000114473302 370567769 /nfs/dbraw/zinc/56/77/69/370567769.db2.gz IKNDSCVFNACMFK-JTQLQIEISA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000114473303 370568248 /nfs/dbraw/zinc/56/82/48/370568248.db2.gz IKNDSCVFNACMFK-SNVBAGLBSA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C ZINC000114474634 370568408 /nfs/dbraw/zinc/56/84/08/370568408.db2.gz CVBVDKPFEGSWRM-SNVBAGLBSA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000114475101 588874888 /nfs/dbraw/zinc/87/48/88/588874888.db2.gz DDKXFTZLCAGLJA-JTQLQIEISA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000114475103 370568460 /nfs/dbraw/zinc/56/84/60/370568460.db2.gz DDKXFTZLCAGLJA-SNVBAGLBSA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@@H]1c2ccccc2CCN1CCCC#N ZINC000114492811 370569601 /nfs/dbraw/zinc/56/96/01/370569601.db2.gz PZTNEPNIDUQYRN-OAHLLOKOSA-N 0 3 228.339 3.300 20 30 BGEDHN CC[C@H]1c2ccccc2CCN1CCCC#N ZINC000114492814 370569641 /nfs/dbraw/zinc/56/96/41/370569641.db2.gz PZTNEPNIDUQYRN-HNNXBMFYSA-N 0 3 228.339 3.300 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc2c(c1)CCO2 ZINC000114712381 323195782 /nfs/dbraw/zinc/19/57/82/323195782.db2.gz JYNVCOSYEDXDSB-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=CCN(CC=C)Cc1cccc(C)c1C ZINC000114722580 345675405 /nfs/dbraw/zinc/67/54/05/345675405.db2.gz ULUVAHWRPIAPMO-UHFFFAOYSA-N 0 3 215.340 3.477 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(C)s1 ZINC000114732428 134194252 /nfs/dbraw/zinc/19/42/52/134194252.db2.gz TZBVUNIMMYRMDI-NSHDSACASA-N 0 3 207.342 3.379 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(C)s1 ZINC000114732430 134194129 /nfs/dbraw/zinc/19/41/29/134194129.db2.gz TZBVUNIMMYRMDI-LLVKDONJSA-N 0 3 207.342 3.379 20 30 BGEDHN Cc1ccc([C@@H]2CCCN2CCCC#N)s1 ZINC000114734524 134194448 /nfs/dbraw/zinc/19/44/48/134194448.db2.gz AYGATVWUJGAULU-LBPRGKRZSA-N 0 3 234.368 3.497 20 30 BGEDHN Cc1ccc([C@H]2CCCN2CCCC#N)s1 ZINC000114734526 134194263 /nfs/dbraw/zinc/19/42/63/134194263.db2.gz AYGATVWUJGAULU-GFCCVEGCSA-N 0 3 234.368 3.497 20 30 BGEDHN C=CCN(CC=C)[C@H](C)c1ccccc1 ZINC000115315624 368988632 /nfs/dbraw/zinc/98/86/32/368988632.db2.gz ZUKMOCSJPVKFBQ-CYBMUJFWSA-N 0 3 201.313 3.422 20 30 BGEDHN C=C(C)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115558474 136213431 /nfs/dbraw/zinc/21/34/31/136213431.db2.gz VBEKIVQBYHIPTJ-UHFFFAOYSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C(C)CN1CCSC[C@@H]1c1ccccc1 ZINC000115561177 323077320 /nfs/dbraw/zinc/07/73/20/323077320.db2.gz BEJYAENJNVBJLD-CQSZACIVSA-N 0 3 233.380 3.353 20 30 BGEDHN C=C(C)CN1CCSC[C@H]1c1ccccc1 ZINC000115561180 323077323 /nfs/dbraw/zinc/07/73/23/323077323.db2.gz BEJYAENJNVBJLD-AWEZNQCLSA-N 0 3 233.380 3.353 20 30 BGEDHN N#CCCCN(Cc1ccc(F)cc1)CC1CC1 ZINC000115561745 344711651 /nfs/dbraw/zinc/71/16/51/344711651.db2.gz AXRHVJRKVKVODF-UHFFFAOYSA-N 0 3 246.329 3.341 20 30 BGEDHN C=CCN(Cc1ccc(F)cc1)CC1CC1 ZINC000115562092 134215782 /nfs/dbraw/zinc/21/57/82/134215782.db2.gz GGQSSYFRNXGASO-UHFFFAOYSA-N 0 3 219.303 3.224 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1ccccc1 ZINC000116387602 535726488 /nfs/dbraw/zinc/72/64/88/535726488.db2.gz DVZIPVUTLGPMCE-GJZGRUSLSA-N 0 3 230.355 3.290 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1ccccc1 ZINC000116387606 136212545 /nfs/dbraw/zinc/21/25/45/136212545.db2.gz DVZIPVUTLGPMCE-CABCVRRESA-N 0 3 230.355 3.290 20 30 BGEDHN CC[C@H](Cc1ccccc1)N[C@@H](CC)CC#N ZINC000116387608 136212500 /nfs/dbraw/zinc/21/25/00/136212500.db2.gz DVZIPVUTLGPMCE-LSDHHAIUSA-N 0 3 230.355 3.290 20 30 BGEDHN CC[C@H](CC#N)N[C@H](CC)Cc1ccccc1 ZINC000116387611 136212529 /nfs/dbraw/zinc/21/25/29/136212529.db2.gz DVZIPVUTLGPMCE-HUUCEWRRSA-N 0 3 230.355 3.290 20 30 BGEDHN C[C@@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000116878031 134601318 /nfs/dbraw/zinc/60/13/18/134601318.db2.gz UBOGMQCUNXCAID-ZDUSSCGKSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@H](CN1CCC(C#N)CC1)c1ccccc1 ZINC000116878034 347141256 /nfs/dbraw/zinc/14/12/56/347141256.db2.gz UBOGMQCUNXCAID-CYBMUJFWSA-N 0 3 228.339 3.026 20 30 BGEDHN COCCCCCN(CCC#N)CC(C)(C)C ZINC000116879330 136220070 /nfs/dbraw/zinc/22/00/70/136220070.db2.gz IJWUIQCVFQHYPL-UHFFFAOYSA-N 0 3 240.391 3.065 20 30 BGEDHN C=CCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000116883615 358451616 /nfs/dbraw/zinc/45/16/16/358451616.db2.gz LATNOWJBJGAHKS-UHFFFAOYSA-N 0 3 231.339 3.024 20 30 BGEDHN C=C(C)CN1CCC(Oc2ccc(C)cc2)CC1 ZINC000116883633 134219352 /nfs/dbraw/zinc/21/93/52/134219352.db2.gz BYVASZWMIPWFPT-UHFFFAOYSA-N 0 3 245.366 3.414 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccccc1F ZINC000116907767 136219535 /nfs/dbraw/zinc/21/95/35/136219535.db2.gz BIIYWPKHOQGEFN-QWRGUYRKSA-N 0 3 207.292 3.441 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC000116907769 136219501 /nfs/dbraw/zinc/21/95/01/136219501.db2.gz BIIYWPKHOQGEFN-MNOVXSKESA-N 0 3 207.292 3.441 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccccc1F ZINC000116907771 385804148 /nfs/dbraw/zinc/80/41/48/385804148.db2.gz BIIYWPKHOQGEFN-WDEREUQCSA-N 0 3 207.292 3.441 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccccc1F ZINC000116907772 385803679 /nfs/dbraw/zinc/80/36/79/385803679.db2.gz BIIYWPKHOQGEFN-GHMZBOCLSA-N 0 3 207.292 3.441 20 30 BGEDHN C=CC[C@H](C)NCc1nc2ccccc2n1CC ZINC000116926744 370854245 /nfs/dbraw/zinc/85/42/45/370854245.db2.gz LICSJLUTULFZEU-LBPRGKRZSA-N 0 3 243.354 3.110 20 30 BGEDHN C=CC[C@@H](C)NCc1nc2ccccc2n1CC ZINC000116926747 370854392 /nfs/dbraw/zinc/85/43/92/370854392.db2.gz LICSJLUTULFZEU-GFCCVEGCSA-N 0 3 243.354 3.110 20 30 BGEDHN C=CC[C@H](C)NCc1cc(C)ccc1F ZINC000116926790 534349325 /nfs/dbraw/zinc/34/93/25/534349325.db2.gz JBMVPEAOVOZGNF-NSHDSACASA-N 0 3 207.292 3.188 20 30 BGEDHN C=CC[C@@H](C)NCc1cc(C)ccc1F ZINC000116926791 347141849 /nfs/dbraw/zinc/14/18/49/347141849.db2.gz JBMVPEAOVOZGNF-LLVKDONJSA-N 0 3 207.292 3.188 20 30 BGEDHN C=CC[C@H](C)NCc1c(F)cccc1F ZINC000116926800 347141998 /nfs/dbraw/zinc/14/19/98/347141998.db2.gz LTSBZULIVCBAOT-VIFPVBQESA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@@H](C)NCc1c(F)cccc1F ZINC000116926802 534887100 /nfs/dbraw/zinc/88/71/00/534887100.db2.gz LTSBZULIVCBAOT-SECBINFHSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000116926835 534349105 /nfs/dbraw/zinc/34/91/05/534349105.db2.gz QZIVRGXZEYGIQD-MDZLAQPJSA-N 0 3 219.328 3.457 20 30 BGEDHN C=CC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000116926837 534349977 /nfs/dbraw/zinc/34/99/77/534349977.db2.gz QZIVRGXZEYGIQD-GVXVVHGQSA-N 0 3 219.328 3.457 20 30 BGEDHN C=CC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000116926838 534349356 /nfs/dbraw/zinc/34/93/56/534349356.db2.gz QZIVRGXZEYGIQD-NTZNESFSSA-N 0 3 219.328 3.457 20 30 BGEDHN C=CC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000116926840 534349081 /nfs/dbraw/zinc/34/90/81/534349081.db2.gz QZIVRGXZEYGIQD-GMXVVIOVSA-N 0 3 219.328 3.457 20 30 BGEDHN C=CC[C@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000116926872 534352036 /nfs/dbraw/zinc/35/20/36/534352036.db2.gz MPFGBRGZROFQMS-JTQLQIEISA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000116926874 383953264 /nfs/dbraw/zinc/95/32/64/383953264.db2.gz MPFGBRGZROFQMS-SNVBAGLBSA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000116927033 534349805 /nfs/dbraw/zinc/34/98/05/534349805.db2.gz ZNJYBRAGWQZLGK-QMMMGPOBSA-N 0 3 229.245 3.158 20 30 BGEDHN C=CC[C@@H](C)NCc1cc(F)c(F)c(F)c1 ZINC000116927035 534887340 /nfs/dbraw/zinc/88/73/40/534887340.db2.gz ZNJYBRAGWQZLGK-MRVPVSSYSA-N 0 3 229.245 3.158 20 30 BGEDHN C=CC[C@H](C)NCc1ccccc1Cl ZINC000116927052 385804476 /nfs/dbraw/zinc/80/44/76/385804476.db2.gz GZHGRTKCOMKTTI-JTQLQIEISA-N 0 3 209.720 3.394 20 30 BGEDHN C=CC[C@@H](C)NCc1ccccc1Cl ZINC000116927054 385803080 /nfs/dbraw/zinc/80/30/80/385803080.db2.gz GZHGRTKCOMKTTI-SNVBAGLBSA-N 0 3 209.720 3.394 20 30 BGEDHN C=CC[C@H](C)NCc1ccc(F)cc1F ZINC000116927062 383952384 /nfs/dbraw/zinc/95/23/84/383952384.db2.gz UTNZNESRTFFQPV-VIFPVBQESA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@@H](C)NCc1ccc(F)cc1F ZINC000116927064 385804064 /nfs/dbraw/zinc/80/40/64/385804064.db2.gz UTNZNESRTFFQPV-SECBINFHSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@H](C)NCc1cc(F)ccc1F ZINC000116927354 347141776 /nfs/dbraw/zinc/14/17/76/347141776.db2.gz YNTRIUKLGGTXNI-VIFPVBQESA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@@H](C)NCc1cc(F)ccc1F ZINC000116927356 347142092 /nfs/dbraw/zinc/14/20/92/347142092.db2.gz YNTRIUKLGGTXNI-SECBINFHSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@H](C)NCc1cccc(F)c1F ZINC000116927408 385802272 /nfs/dbraw/zinc/80/22/72/385802272.db2.gz VKISCAXIOYJXHY-VIFPVBQESA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@@H](C)NCc1cccc(F)c1F ZINC000116927410 534886937 /nfs/dbraw/zinc/88/69/37/534886937.db2.gz VKISCAXIOYJXHY-SECBINFHSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000116927539 534352630 /nfs/dbraw/zinc/35/26/30/534352630.db2.gz AFVZIXZRMOMAFR-JTQLQIEISA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000116927541 344737811 /nfs/dbraw/zinc/73/78/11/344737811.db2.gz AFVZIXZRMOMAFR-SNVBAGLBSA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@H](C)NCc1ccccc1OC(F)F ZINC000116927653 358451632 /nfs/dbraw/zinc/45/16/32/358451632.db2.gz HQLZVPZPYCMPLQ-JTQLQIEISA-N 0 3 241.281 3.342 20 30 BGEDHN C=CC[C@@H](C)NCc1ccccc1OC(F)F ZINC000116927655 358451361 /nfs/dbraw/zinc/45/13/61/358451361.db2.gz HQLZVPZPYCMPLQ-SNVBAGLBSA-N 0 3 241.281 3.342 20 30 BGEDHN CCCCCCCCNCc1ccc(CO)o1 ZINC000117775536 344754913 /nfs/dbraw/zinc/75/49/13/344754913.db2.gz NGTBWEDLGRHCTB-UHFFFAOYSA-N 0 3 239.359 3.222 20 30 BGEDHN C=CCCCN(C)Cc1ccc(OC)c(F)c1 ZINC000117871186 534710423 /nfs/dbraw/zinc/71/04/23/534710423.db2.gz APGMPNYLHRGOEL-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CCCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000117871334 384611130 /nfs/dbraw/zinc/61/11/30/384611130.db2.gz VVROEIDDSOVZLH-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCCCN[C@H](C)c1cc(OC)ccc1OC ZINC000117871336 384606653 /nfs/dbraw/zinc/60/66/53/384606653.db2.gz VVROEIDDSOVZLH-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCCCN(C)Cc1ccc(F)cc1F ZINC000117872256 534709963 /nfs/dbraw/zinc/70/99/63/534709963.db2.gz LOIVEOJSPWHWHH-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=CCCCN(C)Cc1ccc(F)c(F)c1 ZINC000117872349 534709113 /nfs/dbraw/zinc/70/91/13/534709113.db2.gz KEPOFTCVGQFPML-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=CCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000117874455 384609155 /nfs/dbraw/zinc/60/91/55/384609155.db2.gz TZXSTHYXDJMMKT-HNNXBMFYSA-N 0 3 249.354 3.227 20 30 BGEDHN C=CCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000117874458 384609817 /nfs/dbraw/zinc/60/98/17/384609817.db2.gz TZXSTHYXDJMMKT-OAHLLOKOSA-N 0 3 249.354 3.227 20 30 BGEDHN C=CCCCN(C)Cc1cc(OC)cc(OC)c1 ZINC000117874541 534709562 /nfs/dbraw/zinc/70/95/62/534709562.db2.gz RRMRCTQKGDMNJI-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCCCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000117874634 370979723 /nfs/dbraw/zinc/97/97/23/370979723.db2.gz NINAJEZMQJOVFC-GDBMZVCRSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000117874636 370979864 /nfs/dbraw/zinc/97/98/64/370979864.db2.gz NINAJEZMQJOVFC-GOEBONIOSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN(C)Cc1cc(OC)ccc1OC ZINC000117875222 350227122 /nfs/dbraw/zinc/22/71/22/350227122.db2.gz IRRULCQSPGKEGO-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000117878243 388092518 /nfs/dbraw/zinc/09/25/18/388092518.db2.gz WOBUJOHMCBLOML-ZBFHGGJFSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000117878246 388092454 /nfs/dbraw/zinc/09/24/54/388092454.db2.gz WOBUJOHMCBLOML-HOCLYGCPSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000117878249 388092035 /nfs/dbraw/zinc/09/20/35/388092035.db2.gz WOBUJOHMCBLOML-GDBMZVCRSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000117878252 388092644 /nfs/dbraw/zinc/09/26/44/388092644.db2.gz WOBUJOHMCBLOML-GOEBONIOSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN(CCC#N)CC(C)(C)C ZINC000117882225 134221715 /nfs/dbraw/zinc/22/17/15/134221715.db2.gz HWGQEHQWZYMNQH-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN C=CCN(CC=C)C/C=C\c1ccccc1 ZINC000118042386 345678198 /nfs/dbraw/zinc/67/81/98/345678198.db2.gz VEVJBLLCMISWAE-FLIBITNWSA-N 0 3 213.324 3.374 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360360 345679257 /nfs/dbraw/zinc/67/92/57/345679257.db2.gz OPTHFHBZMCTAPN-MBNYWOFBSA-N 0 3 214.312 3.029 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360363 345679329 /nfs/dbraw/zinc/67/93/29/345679329.db2.gz OPTHFHBZMCTAPN-SGMGOOAPSA-N 0 3 214.312 3.029 20 30 BGEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360367 359858541 /nfs/dbraw/zinc/85/85/41/359858541.db2.gz OPTHFHBZMCTAPN-DYEKYZERSA-N 0 3 214.312 3.029 20 30 BGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360370 345678915 /nfs/dbraw/zinc/67/89/15/345678915.db2.gz OPTHFHBZMCTAPN-OBJOEFQTSA-N 0 3 214.312 3.029 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCCC1 ZINC000118390120 176013102 /nfs/dbraw/zinc/01/31/02/176013102.db2.gz GUMMITNOJGEWMG-LBPRGKRZSA-N 0 3 214.312 3.105 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCCC1 ZINC000118390122 177032783 /nfs/dbraw/zinc/03/27/83/177032783.db2.gz GUMMITNOJGEWMG-GFCCVEGCSA-N 0 3 214.312 3.105 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCS[C@H](C)C1 ZINC000118397627 176013629 /nfs/dbraw/zinc/01/36/29/176013629.db2.gz UBZZWUNWPOMSIN-NEPJUHHUSA-N 0 3 246.379 3.057 20 30 BGEDHN C=CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118422680 166358318 /nfs/dbraw/zinc/35/83/18/166358318.db2.gz IEXDYGXVXQHGCL-TZMCWYRMSA-N 0 3 233.380 3.351 20 30 BGEDHN C=CCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118422683 166358985 /nfs/dbraw/zinc/35/89/85/166358985.db2.gz IEXDYGXVXQHGCL-GXTWGEPZSA-N 0 3 233.380 3.351 20 30 BGEDHN C=CCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000118422686 166358510 /nfs/dbraw/zinc/35/85/10/166358510.db2.gz IEXDYGXVXQHGCL-OCCSQVGLSA-N 0 3 233.380 3.351 20 30 BGEDHN C=CCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118422688 166358581 /nfs/dbraw/zinc/35/85/81/166358581.db2.gz IEXDYGXVXQHGCL-JSGCOSHPSA-N 0 3 233.380 3.351 20 30 BGEDHN C=CC[C@H](C)NCc1c(Cl)cccc1OC ZINC000118449839 323357979 /nfs/dbraw/zinc/35/79/79/323357979.db2.gz AICPVURJTQBWEM-JTQLQIEISA-N 0 3 239.746 3.403 20 30 BGEDHN C=CC[C@@H](C)NCc1c(Cl)cccc1OC ZINC000118449842 397983996 /nfs/dbraw/zinc/98/39/96/397983996.db2.gz AICPVURJTQBWEM-SNVBAGLBSA-N 0 3 239.746 3.403 20 30 BGEDHN C=CCN(CCCF)Cc1cccs1 ZINC000118965267 134223986 /nfs/dbraw/zinc/22/39/86/134223986.db2.gz OHKUHCIHWQIPIY-UHFFFAOYSA-N 0 3 213.321 3.096 20 30 BGEDHN CC#CCN[C@@H](c1ccccc1)C1CCC1 ZINC000119036506 388101393 /nfs/dbraw/zinc/10/13/93/388101393.db2.gz FVCYQOUKNIVXKJ-HNNXBMFYSA-N 0 3 213.324 3.141 20 30 BGEDHN CC#CCN[C@H](c1ccccc1)C1CCC1 ZINC000119036624 323909816 /nfs/dbraw/zinc/90/98/16/323909816.db2.gz FVCYQOUKNIVXKJ-OAHLLOKOSA-N 0 3 213.324 3.141 20 30 BGEDHN C=CCN(CCCF)Cc1ccccc1 ZINC000119184678 136221927 /nfs/dbraw/zinc/22/19/27/136221927.db2.gz AMRQQCQXHMRWHK-UHFFFAOYSA-N 0 3 207.292 3.034 20 30 BGEDHN C=CCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119207510 344842288 /nfs/dbraw/zinc/84/22/88/344842288.db2.gz ULSXBENWWZVXSY-NSHDSACASA-N 0 3 205.301 3.381 20 30 BGEDHN C=CCCN([C@H](C)c1ccco1)C1CC1 ZINC000119207602 166262069 /nfs/dbraw/zinc/26/20/69/166262069.db2.gz ULSXBENWWZVXSY-LLVKDONJSA-N 0 3 205.301 3.381 20 30 BGEDHN C=C(C)CN([C@@H](C)c1ccco1)C1CC1 ZINC000119251518 385622373 /nfs/dbraw/zinc/62/23/73/385622373.db2.gz DVMXCGOCLGCOCA-NSHDSACASA-N 0 3 205.301 3.381 20 30 BGEDHN C=C(C)CN([C@H](C)c1ccco1)C1CC1 ZINC000119251700 348206570 /nfs/dbraw/zinc/20/65/70/348206570.db2.gz DVMXCGOCLGCOCA-LLVKDONJSA-N 0 3 205.301 3.381 20 30 BGEDHN C=CCCCN(C)Cc1nc2ccc(F)cc2o1 ZINC000119290774 534708937 /nfs/dbraw/zinc/70/89/37/534708937.db2.gz MDGRQTMDYGJGJF-UHFFFAOYSA-N 0 3 248.301 3.365 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1sc(CC)nc1C ZINC000119313665 348242930 /nfs/dbraw/zinc/24/29/30/348242930.db2.gz DCVXHUZHNDUKHC-DTWKUNHWSA-N 0 3 224.373 3.239 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1sc(CC)nc1C ZINC000119313790 348242874 /nfs/dbraw/zinc/24/28/74/348242874.db2.gz DCVXHUZHNDUKHC-IUCAKERBSA-N 0 3 224.373 3.239 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1sc(CC)nc1C ZINC000119313895 534512286 /nfs/dbraw/zinc/51/22/86/534512286.db2.gz DCVXHUZHNDUKHC-RKDXNWHRSA-N 0 3 224.373 3.239 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1sc(CC)nc1C ZINC000119314002 534512823 /nfs/dbraw/zinc/51/28/23/534512823.db2.gz DCVXHUZHNDUKHC-BDAKNGLRSA-N 0 3 224.373 3.239 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000119315405 343710530 /nfs/dbraw/zinc/71/05/30/343710530.db2.gz IWMKEDZEBJOXIK-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000119315511 398075744 /nfs/dbraw/zinc/07/57/44/398075744.db2.gz IWMKEDZEBJOXIK-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000119318643 534669202 /nfs/dbraw/zinc/66/92/02/534669202.db2.gz MNEZZXSTHRWFKQ-NWDGAFQWSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000119318744 348205474 /nfs/dbraw/zinc/20/54/74/348205474.db2.gz MNEZZXSTHRWFKQ-RYUDHWBXSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000119318832 534512399 /nfs/dbraw/zinc/51/23/99/534512399.db2.gz MNEZZXSTHRWFKQ-VXGBXAGGSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000119318944 534509378 /nfs/dbraw/zinc/50/93/78/534509378.db2.gz MNEZZXSTHRWFKQ-NEPJUHHUSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1cccc(OC)c1 ZINC000119320283 534669579 /nfs/dbraw/zinc/66/95/79/534669579.db2.gz HMKHHHHQRBARDK-FZMZJTMJSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1cccc(OC)c1 ZINC000119320399 134226083 /nfs/dbraw/zinc/22/60/83/134226083.db2.gz HMKHHHHQRBARDK-SMDDNHRTSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1cccc(OC)c1 ZINC000119320564 534511536 /nfs/dbraw/zinc/51/15/36/534511536.db2.gz HMKHHHHQRBARDK-RISCZKNCSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1cccc(OC)c1 ZINC000119320680 534512864 /nfs/dbraw/zinc/51/28/64/534512864.db2.gz HMKHHHHQRBARDK-BXUZGUMPSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000119329110 534669878 /nfs/dbraw/zinc/66/98/78/534669878.db2.gz XNKPSYQFCSSRIV-CMPLNLGQSA-N 0 3 219.328 3.457 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CC(C)(C)Cc2occc21 ZINC000119329226 534513147 /nfs/dbraw/zinc/51/31/47/534513147.db2.gz XNKPSYQFCSSRIV-ZYHUDNBSSA-N 0 3 219.328 3.457 20 30 BGEDHN C=C[C@H](C)N[C@H]1CC(C)(C)Cc2occc21 ZINC000119329371 134226251 /nfs/dbraw/zinc/22/62/51/134226251.db2.gz XNKPSYQFCSSRIV-JQWIXIFHSA-N 0 3 219.328 3.457 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CC(C)(C)Cc2occc21 ZINC000119329489 534511312 /nfs/dbraw/zinc/51/13/12/534511312.db2.gz XNKPSYQFCSSRIV-PWSUYJOCSA-N 0 3 219.328 3.457 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119331767 534668886 /nfs/dbraw/zinc/66/88/86/534668886.db2.gz OBIZCHBOTFLIPR-WDEREUQCSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119331840 534667261 /nfs/dbraw/zinc/66/72/61/534667261.db2.gz OBIZCHBOTFLIPR-QWRGUYRKSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119332010 534511591 /nfs/dbraw/zinc/51/15/91/534511591.db2.gz OBIZCHBOTFLIPR-GHMZBOCLSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119332150 534509950 /nfs/dbraw/zinc/50/99/50/534509950.db2.gz OBIZCHBOTFLIPR-MNOVXSKESA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000119349007 589272270 /nfs/dbraw/zinc/27/22/70/589272270.db2.gz AJUYASZCBOQQRQ-RYUDHWBXSA-N 0 3 249.354 3.067 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000119349119 589272148 /nfs/dbraw/zinc/27/21/48/589272148.db2.gz AJUYASZCBOQQRQ-NEPJUHHUSA-N 0 3 249.354 3.067 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000119349219 589272031 /nfs/dbraw/zinc/27/20/31/589272031.db2.gz AJUYASZCBOQQRQ-NWDGAFQWSA-N 0 3 249.354 3.067 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000119349343 589272298 /nfs/dbraw/zinc/27/22/98/589272298.db2.gz AJUYASZCBOQQRQ-VXGBXAGGSA-N 0 3 249.354 3.067 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccccc1OCC ZINC000119356505 134226627 /nfs/dbraw/zinc/22/66/27/134226627.db2.gz TUHDASTUKUPMSQ-NWDGAFQWSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1OCC ZINC000119356631 534669181 /nfs/dbraw/zinc/66/91/81/534669181.db2.gz TUHDASTUKUPMSQ-RYUDHWBXSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1OCC ZINC000119356785 534511949 /nfs/dbraw/zinc/51/19/49/534511949.db2.gz TUHDASTUKUPMSQ-VXGBXAGGSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1OCC ZINC000119356907 534513030 /nfs/dbraw/zinc/51/30/30/534513030.db2.gz TUHDASTUKUPMSQ-NEPJUHHUSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000119358176 384824558 /nfs/dbraw/zinc/82/45/58/384824558.db2.gz OCOGULHQXIRBGQ-TVQRCGJNSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000119358311 348253445 /nfs/dbraw/zinc/25/34/45/348253445.db2.gz OCOGULHQXIRBGQ-NOZJJQNGSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000119358445 387129215 /nfs/dbraw/zinc/12/92/15/387129215.db2.gz OCOGULHQXIRBGQ-ZANVPECISA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000119358568 384823827 /nfs/dbraw/zinc/82/38/27/384823827.db2.gz OCOGULHQXIRBGQ-RNCFNFMXSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000119363983 534669612 /nfs/dbraw/zinc/66/96/12/534669612.db2.gz SDMNWHVHARVMBC-NWDGAFQWSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000119364131 348720423 /nfs/dbraw/zinc/72/04/23/348720423.db2.gz SDMNWHVHARVMBC-RYUDHWBXSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000119364250 534511669 /nfs/dbraw/zinc/51/16/69/534511669.db2.gz SDMNWHVHARVMBC-VXGBXAGGSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000119364377 534512145 /nfs/dbraw/zinc/51/21/45/534512145.db2.gz SDMNWHVHARVMBC-NEPJUHHUSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000119365008 534668235 /nfs/dbraw/zinc/66/82/35/534668235.db2.gz INUIIBOEAOXMNC-IUCAKERBSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000119365157 348722517 /nfs/dbraw/zinc/72/25/17/348722517.db2.gz INUIIBOEAOXMNC-BDAKNGLRSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000119365275 534669541 /nfs/dbraw/zinc/66/95/41/534669541.db2.gz INUIIBOEAOXMNC-DTWKUNHWSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000119365377 534511565 /nfs/dbraw/zinc/51/15/65/534511565.db2.gz INUIIBOEAOXMNC-RKDXNWHRSA-N 0 3 211.255 3.190 20 30 BGEDHN N#CC1CCN(CCCC2CCCC2)CC1 ZINC000119417312 344848527 /nfs/dbraw/zinc/84/85/27/344848527.db2.gz HCNXEBOJZOVLGW-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN C#CCCCCNCc1cc(Cl)ccc1F ZINC000119561429 589308789 /nfs/dbraw/zinc/30/87/89/589308789.db2.gz WTXCBKXXPDZVRB-UHFFFAOYSA-N 0 3 239.721 3.372 20 30 BGEDHN CN(CCc1ccc(F)cc1)CCC(C)(C)C#N ZINC000119602953 344855542 /nfs/dbraw/zinc/85/55/42/344855542.db2.gz FHNQPONRQFTJOT-UHFFFAOYSA-N 0 3 248.345 3.240 20 30 BGEDHN C=C(C)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000119615452 323931369 /nfs/dbraw/zinc/93/13/69/323931369.db2.gz YLEBTJRRJVTZDI-UHFFFAOYSA-N 0 3 248.326 3.384 20 30 BGEDHN C=C(C)CNCc1ccccc1OCC1CC1 ZINC000119621869 387142029 /nfs/dbraw/zinc/14/20/29/387142029.db2.gz IWXCJUSFYGVJTG-UHFFFAOYSA-N 0 3 231.339 3.141 20 30 BGEDHN Cc1ccc(CN(C)CCC(C)(C)C#N)s1 ZINC000119623702 344856027 /nfs/dbraw/zinc/85/60/27/344856027.db2.gz DNUBBJPURHNHJA-UHFFFAOYSA-N 0 3 236.384 3.428 20 30 BGEDHN C=C(C)CNC/C=C/c1ccc(F)cc1 ZINC000119624359 191068615 /nfs/dbraw/zinc/06/86/15/191068615.db2.gz WVFAAJDJLSXXQG-ONEGZZNKSA-N 0 3 205.276 3.005 20 30 BGEDHN C=C(C)CNCc1cccn1CCC(C)C ZINC000119629959 387142801 /nfs/dbraw/zinc/14/28/01/387142801.db2.gz URHLKMLKOCCNMC-UHFFFAOYSA-N 0 3 220.360 3.200 20 30 BGEDHN C=C(C)CNCc1cc2cc(F)ccc2o1 ZINC000119630253 344856525 /nfs/dbraw/zinc/85/65/25/344856525.db2.gz PMBSLIJNSMTUKZ-UHFFFAOYSA-N 0 3 219.259 3.238 20 30 BGEDHN C=C(C)CNCc1ccc(F)c2cccnc12 ZINC000119630750 191068396 /nfs/dbraw/zinc/06/83/96/191068396.db2.gz VVKHKQIPOUAZQN-UHFFFAOYSA-N 0 3 230.286 3.040 20 30 BGEDHN C=C(C)CNCc1cnc(C2CCC2)s1 ZINC000119638742 347299171 /nfs/dbraw/zinc/29/91/71/347299171.db2.gz QSDABANFWVLAFL-UHFFFAOYSA-N 0 3 222.357 3.076 20 30 BGEDHN C=C(C)CNCc1cc(F)cc2cccnc21 ZINC000119638924 136291796 /nfs/dbraw/zinc/29/17/96/136291796.db2.gz OHQDLCCQWVXEIK-UHFFFAOYSA-N 0 3 230.286 3.040 20 30 BGEDHN C=C(C)CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000119642026 136291934 /nfs/dbraw/zinc/29/19/34/136291934.db2.gz YENWRDWQNHXKJW-UHFFFAOYSA-N 0 3 241.338 3.051 20 30 BGEDHN C=C(C)CNCc1ccc(OCC)c(OCC)c1 ZINC000119643971 136292022 /nfs/dbraw/zinc/29/20/22/136292022.db2.gz LOYPOZWEPIGAAQ-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=C(C)CNCc1cccc(OC(F)(F)F)c1 ZINC000119644836 411264439 /nfs/dbraw/zinc/26/44/39/411264439.db2.gz LPKMLRFTNMFGST-UHFFFAOYSA-N 0 3 245.244 3.251 20 30 BGEDHN C=C(C)CNCc1cccc(-c2ccccn2)c1 ZINC000119648344 398328182 /nfs/dbraw/zinc/32/81/82/398328182.db2.gz VJKAJIOKPRWSJV-UHFFFAOYSA-N 0 3 238.334 3.414 20 30 BGEDHN C=C(C)CNCc1cccc(OC)c1OC(C)C ZINC000119649632 398328134 /nfs/dbraw/zinc/32/81/34/398328134.db2.gz PFMFUKKQMDRXSZ-UHFFFAOYSA-N 0 3 249.354 3.148 20 30 BGEDHN C=C(C)CNCc1cccc(OCCCC#N)c1 ZINC000119651359 136212357 /nfs/dbraw/zinc/21/23/57/136212357.db2.gz CJYKZCRQWYMOCR-UHFFFAOYSA-N 0 3 244.338 3.035 20 30 BGEDHN C=C(C)CNCc1cnc(-c2ccccc2)s1 ZINC000119651629 323933189 /nfs/dbraw/zinc/93/31/89/323933189.db2.gz APAIRQZWDLPMKB-UHFFFAOYSA-N 0 3 244.363 3.476 20 30 BGEDHN C=C(C)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000119653180 136212387 /nfs/dbraw/zinc/21/23/87/136212387.db2.gz WSNWORZHYFPFLM-UHFFFAOYSA-N 0 3 248.351 3.377 20 30 BGEDHN C=C(C)CNCc1cc2cc(OC)ccc2o1 ZINC000119653352 136291961 /nfs/dbraw/zinc/29/19/61/136291961.db2.gz IETPZQQSAPHNRS-UHFFFAOYSA-N 0 3 231.295 3.107 20 30 BGEDHN C=C(C)CNCc1ccc(SC)c(OC)c1 ZINC000119656475 136292009 /nfs/dbraw/zinc/29/20/09/136292009.db2.gz SVYNSXJZLNKFRK-UHFFFAOYSA-N 0 3 237.368 3.083 20 30 BGEDHN C=C(C)CNCc1cnc(C2CCCC2)s1 ZINC000119658772 347299112 /nfs/dbraw/zinc/29/91/12/347299112.db2.gz JXBUUTUIZPPOBZ-UHFFFAOYSA-N 0 3 236.384 3.466 20 30 BGEDHN C=C(C)CNCc1cn(C)nc1C1CCCCC1 ZINC000119660036 136291959 /nfs/dbraw/zinc/29/19/59/136291959.db2.gz ANPLIHYNPXQUON-UHFFFAOYSA-N 0 3 247.386 3.134 20 30 BGEDHN C=C(C)CNCc1ccc(OC)c(OCCC)c1 ZINC000119660385 136292041 /nfs/dbraw/zinc/29/20/41/136292041.db2.gz VIJUMROPKOPODM-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=C(C)CNCc1ccc(OCCC)c(OC)c1 ZINC000119660663 136291874 /nfs/dbraw/zinc/29/18/74/136291874.db2.gz CVGJWXVRQVOBCN-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=C(C)CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000119662534 136291948 /nfs/dbraw/zinc/29/19/48/136291948.db2.gz YJUAKNZVACDYIT-UHFFFAOYSA-N 0 3 241.338 3.051 20 30 BGEDHN C=C(C)CNCc1ccc(OC(F)F)c(F)c1 ZINC000119665575 136291812 /nfs/dbraw/zinc/29/18/12/136291812.db2.gz KXGINTLIICMQAG-UHFFFAOYSA-N 0 3 245.244 3.093 20 30 BGEDHN C=C(C)CNCc1cnc(CC(C)C)s1 ZINC000119665741 136220882 /nfs/dbraw/zinc/22/08/82/136220882.db2.gz CGTHYLGYIULEDE-UHFFFAOYSA-N 0 3 224.373 3.007 20 30 BGEDHN C=C(C)CNCc1ccc(Cl)c(C)c1 ZINC000119666884 384848301 /nfs/dbraw/zinc/84/83/01/384848301.db2.gz KPDLACWPWAMJFE-UHFFFAOYSA-N 0 3 209.720 3.314 20 30 BGEDHN C=C(C)CNCc1ccc(Cl)cc1C ZINC000119667477 323933278 /nfs/dbraw/zinc/93/32/78/323933278.db2.gz ZPXYGCVECPKKQL-UHFFFAOYSA-N 0 3 209.720 3.314 20 30 BGEDHN C=CCN(CC=C)CCc1ccc(F)cc1 ZINC000119724178 387142867 /nfs/dbraw/zinc/14/28/67/387142867.db2.gz YJQFQUXNMWZQNG-UHFFFAOYSA-N 0 3 219.303 3.042 20 30 BGEDHN C=CCN(CC=C)CCc1ccccc1F ZINC000119737606 323932246 /nfs/dbraw/zinc/93/22/46/323932246.db2.gz YSFLWHRDNBYLEO-UHFFFAOYSA-N 0 3 219.303 3.042 20 30 BGEDHN C=CCN(CC=C)CCc1cccc(F)c1 ZINC000119742137 387142921 /nfs/dbraw/zinc/14/29/21/387142921.db2.gz SHEXHFBHXNKROP-UHFFFAOYSA-N 0 3 219.303 3.042 20 30 BGEDHN CC(C)N(Cc1ccc(F)cc1C#N)C1CCC1 ZINC000119742610 188153968 /nfs/dbraw/zinc/15/39/68/188153968.db2.gz QLHQRIVKWLCMSH-UHFFFAOYSA-N 0 3 246.329 3.460 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)cc1F)C1CCC1 ZINC000119767862 385201713 /nfs/dbraw/zinc/20/17/13/385201713.db2.gz OHAWHHZLVXJNGW-UHFFFAOYSA-N 0 3 246.329 3.460 20 30 BGEDHN CC(C)N(CCC(C)(C)C#N)Cc1cccnc1 ZINC000119771330 344540754 /nfs/dbraw/zinc/54/07/54/344540754.db2.gz BQSJOOQOKDEPAI-UHFFFAOYSA-N 0 3 245.370 3.232 20 30 BGEDHN C[C@@H](c1ccccn1)N(C)CCCC(C)(C)C#N ZINC000119783918 344864170 /nfs/dbraw/zinc/86/41/70/344864170.db2.gz ZGGOGTLGVSHEAU-ZDUSSCGKSA-N 0 3 245.370 3.404 20 30 BGEDHN C[C@H](c1ccccn1)N(C)CCCC(C)(C)C#N ZINC000119784079 344863949 /nfs/dbraw/zinc/86/39/49/344863949.db2.gz ZGGOGTLGVSHEAU-CYBMUJFWSA-N 0 3 245.370 3.404 20 30 BGEDHN C[C@@H](c1ccncc1)N(C)CCCC(C)(C)C#N ZINC000119791371 136220777 /nfs/dbraw/zinc/22/07/77/136220777.db2.gz HBQPZYWYFPMKCS-ZDUSSCGKSA-N 0 3 245.370 3.404 20 30 BGEDHN C[C@H](c1ccncc1)N(C)CCCC(C)(C)C#N ZINC000119791527 136220855 /nfs/dbraw/zinc/22/08/55/136220855.db2.gz HBQPZYWYFPMKCS-CYBMUJFWSA-N 0 3 245.370 3.404 20 30 BGEDHN C[C@@H](c1cccnc1)N(C)CCCC(C)(C)C#N ZINC000119798739 344865040 /nfs/dbraw/zinc/86/50/40/344865040.db2.gz UQBJDEYVXSUMQM-ZDUSSCGKSA-N 0 3 245.370 3.404 20 30 BGEDHN C[C@H](c1cccnc1)N(C)CCCC(C)(C)C#N ZINC000119798885 344864587 /nfs/dbraw/zinc/86/45/87/344864587.db2.gz UQBJDEYVXSUMQM-CYBMUJFWSA-N 0 3 245.370 3.404 20 30 BGEDHN CCC(CC)CN(CC)Cc1ccc(C#N)o1 ZINC000119802097 168350040 /nfs/dbraw/zinc/35/00/40/168350040.db2.gz QFWGJKXINDEPPC-UHFFFAOYSA-N 0 3 234.343 3.409 20 30 BGEDHN CN(Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC000119810884 384974319 /nfs/dbraw/zinc/97/43/19/384974319.db2.gz SFQBMZJNXCKXFM-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C=C(C)CN(C)[C@@H](CC)c1ccncc1 ZINC000119817188 386645583 /nfs/dbraw/zinc/64/55/83/386645583.db2.gz RTXVEXFNQVCQAV-ZDUSSCGKSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CN(C)[C@H](CC)c1ccncc1 ZINC000119817290 386646112 /nfs/dbraw/zinc/64/61/12/386646112.db2.gz RTXVEXFNQVCQAV-CYBMUJFWSA-N 0 3 204.317 3.041 20 30 BGEDHN CC[C@@H](c1ccncc1)N(C)CCC(C)(C)C#N ZINC000119822360 344866883 /nfs/dbraw/zinc/86/68/83/344866883.db2.gz POXXSFKOHRWSAM-AWEZNQCLSA-N 0 3 245.370 3.404 20 30 BGEDHN CC[C@H](c1ccncc1)N(C)CCC(C)(C)C#N ZINC000119822545 344866132 /nfs/dbraw/zinc/86/61/32/344866132.db2.gz POXXSFKOHRWSAM-CQSZACIVSA-N 0 3 245.370 3.404 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccncc1 ZINC000119873879 344639417 /nfs/dbraw/zinc/63/94/17/344639417.db2.gz SFTGSZJYFAQJJU-CQSZACIVSA-N 0 3 243.354 3.158 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccncc1 ZINC000119874044 344639657 /nfs/dbraw/zinc/63/96/57/344639657.db2.gz SFTGSZJYFAQJJU-AWEZNQCLSA-N 0 3 243.354 3.158 20 30 BGEDHN CC1CCC(N(C)Cc2ccc(C#N)o2)CC1 ZINC000119881086 168159061 /nfs/dbraw/zinc/15/90/61/168159061.db2.gz FGKSQBAFEPPBKC-UHFFFAOYSA-N 0 3 232.327 3.162 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000119888663 344868997 /nfs/dbraw/zinc/86/89/97/344868997.db2.gz WABMJMWXCBTLFF-CYBMUJFWSA-N 0 3 231.343 3.091 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000119888838 344869087 /nfs/dbraw/zinc/86/90/87/344869087.db2.gz WABMJMWXCBTLFF-ZDUSSCGKSA-N 0 3 231.343 3.091 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000119922044 177117847 /nfs/dbraw/zinc/11/78/47/177117847.db2.gz RWWUUNYFBYFARV-TXEJJXNPSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000119922182 177132376 /nfs/dbraw/zinc/13/23/76/177132376.db2.gz RWWUUNYFBYFARV-RYUDHWBXSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000119922327 176116138 /nfs/dbraw/zinc/11/61/38/176116138.db2.gz RWWUUNYFBYFARV-VXGBXAGGSA-N 0 3 246.329 3.460 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)s1 ZINC000119926888 181103893 /nfs/dbraw/zinc/10/38/93/181103893.db2.gz ABNXVKWVNGZLOU-RISCZKNCSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000119927002 181104226 /nfs/dbraw/zinc/10/42/26/181104226.db2.gz ABNXVKWVNGZLOU-FZMZJTMJSA-N 0 3 246.379 3.384 20 30 BGEDHN CC(C)(CCC#N)CN1Cc2ccccc2C1 ZINC000119978514 534998222 /nfs/dbraw/zinc/99/82/22/534998222.db2.gz IUZIAGHQZWVOQQ-UHFFFAOYSA-N 0 3 228.339 3.332 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(COC)cc1 ZINC000120015030 534830439 /nfs/dbraw/zinc/83/04/39/534830439.db2.gz GSYXIGZNEJRBKQ-UHFFFAOYSA-N 0 3 231.339 3.007 20 30 BGEDHN C=CCC[C@H](NCc1nc(C)cs1)C1CC1 ZINC000120025074 136292148 /nfs/dbraw/zinc/29/21/48/136292148.db2.gz YCSHFSXANDZZPL-LBPRGKRZSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CCC[C@@H](NCc1nc(C)cs1)C1CC1 ZINC000120025251 136292254 /nfs/dbraw/zinc/29/22/54/136292254.db2.gz YCSHFSXANDZZPL-GFCCVEGCSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CCCCN(C)Cc1cc(Cl)cn1C ZINC000120027909 534709147 /nfs/dbraw/zinc/70/91/47/534709147.db2.gz JOAHCPGPVSSHJL-UHFFFAOYSA-N 0 3 226.751 3.077 20 30 BGEDHN CN(CCCCC#N)Cc1ccc(F)c(F)c1 ZINC000120077774 344876337 /nfs/dbraw/zinc/87/63/37/344876337.db2.gz UPVVHYWAJNZXCH-UHFFFAOYSA-N 0 3 238.281 3.090 20 30 BGEDHN CN(CC#Cc1cccc(Cl)c1)CC1CCC1 ZINC000120082615 387179111 /nfs/dbraw/zinc/17/91/11/387179111.db2.gz SZSZPICHWLZQNM-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C=CCN(CC=C)CCCc1cccc(OC)c1 ZINC000120090425 344597600 /nfs/dbraw/zinc/59/76/00/344597600.db2.gz XGJGRJGMCFMZLL-UHFFFAOYSA-N 0 3 245.366 3.302 20 30 BGEDHN CC(C)(CNCc1ccc(C#N)o1)C1CCCC1 ZINC000120121517 385539027 /nfs/dbraw/zinc/53/90/27/385539027.db2.gz BAVAEBCWTGBHRA-UHFFFAOYSA-N 0 3 246.354 3.457 20 30 BGEDHN C=CCC[C@H](NCc1csc(C)n1)C1CC1 ZINC000120353503 490060790 /nfs/dbraw/zinc/06/07/90/490060790.db2.gz QLRVRIRCQMMEHL-ZDUSSCGKSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CCC[C@@H](NCc1csc(C)n1)C1CC1 ZINC000120353612 490060698 /nfs/dbraw/zinc/06/06/98/490060698.db2.gz QLRVRIRCQMMEHL-CYBMUJFWSA-N 0 3 236.384 3.286 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1ccc(C)s1 ZINC000120378909 134229053 /nfs/dbraw/zinc/22/90/53/134229053.db2.gz BQSLTVOLGPCRPI-GFCCVEGCSA-N 0 3 219.353 3.217 20 30 BGEDHN CC#CCN1CCC[C@H]1c1ccc(C)s1 ZINC000120379099 134229059 /nfs/dbraw/zinc/22/90/59/134229059.db2.gz BQSLTVOLGPCRPI-LBPRGKRZSA-N 0 3 219.353 3.217 20 30 BGEDHN CCCCN(CC)Cc1ccc(C#N)cc1OC ZINC000120499229 385600061 /nfs/dbraw/zinc/60/00/61/385600061.db2.gz FLDIVJQTJSMVMH-UHFFFAOYSA-N 0 3 246.354 3.189 20 30 BGEDHN CCN(C[C@@H](C)C#N)CC1CCCCCC1 ZINC000120523064 387188548 /nfs/dbraw/zinc/18/85/48/387188548.db2.gz OQBAAQLLSOABQW-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN CCN(C[C@H](C)C#N)CC1CCCCCC1 ZINC000120523228 387189666 /nfs/dbraw/zinc/18/96/66/387189666.db2.gz OQBAAQLLSOABQW-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCCCN[C@@H](C)c1nc2ccccc2n1C ZINC000120539400 534734009 /nfs/dbraw/zinc/73/40/09/534734009.db2.gz ZAFJIVAPHJDZDY-LBPRGKRZSA-N 0 3 243.354 3.190 20 30 BGEDHN C=CCCCN[C@H](C)c1nc2ccccc2n1C ZINC000120539557 534736156 /nfs/dbraw/zinc/73/61/56/534736156.db2.gz ZAFJIVAPHJDZDY-GFCCVEGCSA-N 0 3 243.354 3.190 20 30 BGEDHN C=CCN(C)Cc1cccc(OC(C)C)c1 ZINC000120560028 134229978 /nfs/dbraw/zinc/22/99/78/134229978.db2.gz XCUZLESGRRYHFZ-UHFFFAOYSA-N 0 3 219.328 3.092 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(OC(C)C)c1 ZINC000120562331 387192452 /nfs/dbraw/zinc/19/24/52/387192452.db2.gz NQZZAMGDCLHJSK-UHFFFAOYSA-N 0 3 233.355 3.482 20 30 BGEDHN C=CCCN[C@H](C)c1csc(C(C)C)n1 ZINC000120589816 490065238 /nfs/dbraw/zinc/06/52/38/490065238.db2.gz SRWCFZNEJXILLQ-SNVBAGLBSA-N 0 3 224.373 3.493 20 30 BGEDHN C=CCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000120589993 490098999 /nfs/dbraw/zinc/09/89/99/490098999.db2.gz SRWCFZNEJXILLQ-JTQLQIEISA-N 0 3 224.373 3.493 20 30 BGEDHN CCN(Cc1ccc(C#N)cc1OC)CC(C)C ZINC000120616630 351056296 /nfs/dbraw/zinc/05/62/96/351056296.db2.gz KDTUKJXLAZMRCX-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN CCCN(CCC)Cc1ccc(C#N)cc1OC ZINC000120625121 169148954 /nfs/dbraw/zinc/14/89/54/169148954.db2.gz MZUAWQOYBOXBEV-UHFFFAOYSA-N 0 3 246.354 3.189 20 30 BGEDHN COc1cc(C#N)ccc1CN(C)CCC(C)C ZINC000120672804 385817933 /nfs/dbraw/zinc/81/79/33/385817933.db2.gz UDSJFTXYUHNUQD-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN CC(C)Oc1cccc(CN(C)CCCC#N)c1 ZINC000120705880 535037794 /nfs/dbraw/zinc/03/77/94/535037794.db2.gz UPXHAAYWJMDLML-UHFFFAOYSA-N 0 3 246.354 3.209 20 30 BGEDHN COc1cc(C#N)ccc1CN(C)CC(C)(C)C ZINC000120802894 487820439 /nfs/dbraw/zinc/82/04/39/487820439.db2.gz NYBNCAANISZBBO-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN C=CCCOCCNC/C(C)=C\c1ccccc1 ZINC000120804929 387195857 /nfs/dbraw/zinc/19/58/57/387195857.db2.gz CKKXPFBCNXJXQP-SQFISAMPSA-N 0 3 245.366 3.272 20 30 BGEDHN C=CCCOCCNCc1cc2ccccc2o1 ZINC000120827873 344902438 /nfs/dbraw/zinc/90/24/38/344902438.db2.gz UPJVPJHADRMBCC-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=C(C)CN[C@@H](CC)c1ccccc1OC ZINC000120834476 589470092 /nfs/dbraw/zinc/47/00/92/589470092.db2.gz REAQCVQEMMHXMW-ZDUSSCGKSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(C)CN[C@H](CC)c1ccccc1OC ZINC000120834631 589470048 /nfs/dbraw/zinc/47/00/48/589470048.db2.gz REAQCVQEMMHXMW-CYBMUJFWSA-N 0 3 219.328 3.312 20 30 BGEDHN C=CCCOCCNCc1cccc(Cl)c1 ZINC000120840241 344902512 /nfs/dbraw/zinc/90/25/12/344902512.db2.gz KBIOLSBDORFHDC-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=CCCOCCNCc1ccccc1Cl ZINC000120864591 534776817 /nfs/dbraw/zinc/77/68/17/534776817.db2.gz WKQOEEBRFPLTJE-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=CCCOCCNCc1coc2ccccc12 ZINC000120879106 358484233 /nfs/dbraw/zinc/48/42/33/358484233.db2.gz TZDFOFYKVOBSQQ-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=CCCOCCNCc1ccc(Cl)cc1 ZINC000120885559 134230711 /nfs/dbraw/zinc/23/07/11/134230711.db2.gz GSBYBVOQEDNYOO-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=CCCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000121055561 534709893 /nfs/dbraw/zinc/70/98/93/534709893.db2.gz XPYHOGFREQPTTR-UHFFFAOYSA-N 0 3 248.326 3.301 20 30 BGEDHN C=CCCCN(C)Cc1ccc(Cl)nc1 ZINC000121061674 344910228 /nfs/dbraw/zinc/91/02/28/344910228.db2.gz ZPVKGEAHBBWYDO-UHFFFAOYSA-N 0 3 224.735 3.133 20 30 BGEDHN C=CCCCN(C)[C@@H](C)c1cccnc1 ZINC000121089587 534711280 /nfs/dbraw/zinc/71/12/80/534711280.db2.gz UJMQCCJGXQXUGD-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=CCCCN(C)[C@H](C)c1cccnc1 ZINC000121089725 534713484 /nfs/dbraw/zinc/71/34/84/534713484.db2.gz UJMQCCJGXQXUGD-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C[C@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000121099728 589498325 /nfs/dbraw/zinc/49/83/25/589498325.db2.gz NVXYQBLEEJVOLX-JQWIXIFHSA-N 0 3 205.301 3.007 20 30 BGEDHN C=C[C@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000121099907 589498495 /nfs/dbraw/zinc/49/84/95/589498495.db2.gz NVXYQBLEEJVOLX-CMPLNLGQSA-N 0 3 205.301 3.007 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000121100092 589498679 /nfs/dbraw/zinc/49/86/79/589498679.db2.gz NVXYQBLEEJVOLX-PWSUYJOCSA-N 0 3 205.301 3.007 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000121100214 589498703 /nfs/dbraw/zinc/49/87/03/589498703.db2.gz NVXYQBLEEJVOLX-ZYHUDNBSSA-N 0 3 205.301 3.007 20 30 BGEDHN C=CCCCN(C)Cc1cccc(NC(C)=O)c1 ZINC000121105940 534709397 /nfs/dbraw/zinc/70/93/97/534709397.db2.gz KZBLWAFHWUDKTQ-UHFFFAOYSA-N 0 3 246.354 3.043 20 30 BGEDHN CC1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000121144051 167898261 /nfs/dbraw/zinc/89/82/61/167898261.db2.gz NOFPYTNVGJJYTR-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN CC1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000121148885 387011756 /nfs/dbraw/zinc/01/17/56/387011756.db2.gz GIRNVQMDOZQAKY-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN C=CCN(C)CCc1c(F)cccc1Cl ZINC000121181921 324004888 /nfs/dbraw/zinc/00/48/88/324004888.db2.gz ATBNWQIDIJADJQ-UHFFFAOYSA-N 0 3 227.710 3.139 20 30 BGEDHN C=CCN(C)Cc1ccc(OCC)c(OCC)c1 ZINC000121187706 135222749 /nfs/dbraw/zinc/22/27/49/135222749.db2.gz JWKSMQQSUZEXNJ-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCN(C)Cc1ccc(Cl)cc1C ZINC000121252120 323161695 /nfs/dbraw/zinc/16/16/95/323161695.db2.gz FXGDWWNVMOHSOU-UHFFFAOYSA-N 0 3 209.720 3.266 20 30 BGEDHN C=CCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000121286044 344918864 /nfs/dbraw/zinc/91/88/64/344918864.db2.gz BGPZIENIMKNKCK-UHFFFAOYSA-N 0 3 232.302 3.095 20 30 BGEDHN C=CCSCCNCc1coc2ccccc12 ZINC000121299518 134232368 /nfs/dbraw/zinc/23/23/68/134232368.db2.gz VHZRLCGBICCFKH-UHFFFAOYSA-N 0 3 247.363 3.442 20 30 BGEDHN C=CCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306098 534816482 /nfs/dbraw/zinc/81/64/82/534816482.db2.gz XUVJJMMNUFOJBQ-LLVKDONJSA-N 0 3 234.299 3.082 20 30 BGEDHN C=CCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306229 534816050 /nfs/dbraw/zinc/81/60/50/534816050.db2.gz XUVJJMMNUFOJBQ-NSHDSACASA-N 0 3 234.299 3.082 20 30 BGEDHN C=CCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC000121332381 324011673 /nfs/dbraw/zinc/01/16/73/324011673.db2.gz ZKTSUHMMALUFSP-CQSZACIVSA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC000121332549 324011339 /nfs/dbraw/zinc/01/13/39/324011339.db2.gz ZKTSUHMMALUFSP-AWEZNQCLSA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCN(C)Cc1ccccc1C(C)(C)C#N ZINC000121342964 344921875 /nfs/dbraw/zinc/92/18/75/344921875.db2.gz YOGABTNEAPXCSS-UHFFFAOYSA-N 0 3 228.339 3.106 20 30 BGEDHN C=CCN(C)CCc1ccccc1Cl ZINC000121352349 324012720 /nfs/dbraw/zinc/01/27/20/324012720.db2.gz SXWGXFFNIHYSLY-UHFFFAOYSA-N 0 3 209.720 3.000 20 30 BGEDHN C=CCC[C@H](NCc1ncc(C)s1)C1CC1 ZINC000121386614 324010325 /nfs/dbraw/zinc/01/03/25/324010325.db2.gz KPNZSBKHFDVVSE-LBPRGKRZSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CCC[C@@H](NCc1ncc(C)s1)C1CC1 ZINC000121386774 324009901 /nfs/dbraw/zinc/00/99/01/324009901.db2.gz KPNZSBKHFDVVSE-GFCCVEGCSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CCN(C)CCSc1ccc(F)cc1 ZINC000121389714 324010355 /nfs/dbraw/zinc/01/03/55/324010355.db2.gz KVJYBOQARZKKTP-UHFFFAOYSA-N 0 3 225.332 3.036 20 30 BGEDHN C=CCN(C)CCSc1ccccc1F ZINC000121389861 324009893 /nfs/dbraw/zinc/00/98/93/324009893.db2.gz NVWNUIXBTKVVEY-UHFFFAOYSA-N 0 3 225.332 3.036 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121406552 387019111 /nfs/dbraw/zinc/01/91/11/387019111.db2.gz ZEYDWNCFYPXKJK-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN COc1cc(C#N)ccc1CN[C@H](C)C(C)(C)C ZINC000121414753 356662720 /nfs/dbraw/zinc/66/27/20/356662720.db2.gz FAFHPIQAWRQJDW-LLVKDONJSA-N 0 3 246.354 3.091 20 30 BGEDHN C=CCN(C)Cc1ccc(OCCC)cc1 ZINC000121475485 343266906 /nfs/dbraw/zinc/26/69/06/343266906.db2.gz ZBEZZWAERQWFEH-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCN(C)Cc1cc(C)nc2ccccc12 ZINC000121504581 135223734 /nfs/dbraw/zinc/22/37/34/135223734.db2.gz XFMWOCAWNGSMMW-UHFFFAOYSA-N 0 3 226.323 3.161 20 30 BGEDHN C=CCN(C)[C@@H]1CCc2c1cccc2Cl ZINC000121515868 324014602 /nfs/dbraw/zinc/01/46/02/324014602.db2.gz UKVMWQJHRITRTK-CYBMUJFWSA-N 0 3 221.731 3.445 20 30 BGEDHN C=CCN(C)[C@H]1CCc2c1cccc2Cl ZINC000121516041 324014792 /nfs/dbraw/zinc/01/47/92/324014792.db2.gz UKVMWQJHRITRTK-ZDUSSCGKSA-N 0 3 221.731 3.445 20 30 BGEDHN COc1ccc(C#N)cc1CN[C@H](C)C(C)(C)C ZINC000121535729 356751036 /nfs/dbraw/zinc/75/10/36/356751036.db2.gz AKIJCBOZQBMRNN-LLVKDONJSA-N 0 3 246.354 3.091 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000121539955 134234517 /nfs/dbraw/zinc/23/45/17/134234517.db2.gz HRSXQXSFOMCEJW-JTQLQIEISA-N 0 3 223.291 3.061 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000121540131 134234573 /nfs/dbraw/zinc/23/45/73/134234573.db2.gz HRSXQXSFOMCEJW-SNVBAGLBSA-N 0 3 223.291 3.061 20 30 BGEDHN C=CCN(C)Cc1ccc(OC(C)C)cc1 ZINC000121599808 324018423 /nfs/dbraw/zinc/01/84/23/324018423.db2.gz IPMDDMPFGHKWRG-UHFFFAOYSA-N 0 3 219.328 3.092 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000121610018 177183533 /nfs/dbraw/zinc/18/35/33/177183533.db2.gz GOIHRGMAGZSTTP-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000121610188 177197882 /nfs/dbraw/zinc/19/78/82/177197882.db2.gz GOIHRGMAGZSTTP-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C1 ZINC000121610345 176197505 /nfs/dbraw/zinc/19/75/05/176197505.db2.gz GOIHRGMAGZSTTP-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(F)c(C#N)c1 ZINC000121610489 177185181 /nfs/dbraw/zinc/18/51/81/177185181.db2.gz GOIHRGMAGZSTTP-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121650481 324018289 /nfs/dbraw/zinc/01/82/89/324018289.db2.gz FOOGPFYEOVDSGL-MRXNPFEDSA-N 0 3 245.366 3.200 20 30 BGEDHN C=CCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000121650649 324018849 /nfs/dbraw/zinc/01/88/49/324018849.db2.gz FOOGPFYEOVDSGL-INIZCTEOSA-N 0 3 245.366 3.200 20 30 BGEDHN C=CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000121716995 589527289 /nfs/dbraw/zinc/52/72/89/589527289.db2.gz MRWZYHUOQHGIFC-VIFPVBQESA-N 0 3 245.244 3.422 20 30 BGEDHN C=CCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000121717144 589527163 /nfs/dbraw/zinc/52/71/63/589527163.db2.gz MRWZYHUOQHGIFC-SECBINFHSA-N 0 3 245.244 3.422 20 30 BGEDHN CC(C)N[C@@H](CCC#N)c1ccccc1 ZINC000121721703 135225467 /nfs/dbraw/zinc/22/54/67/135225467.db2.gz DQCUOXKKGLZVOL-ZDUSSCGKSA-N 0 3 202.301 3.029 20 30 BGEDHN CC(C)N[C@H](CCC#N)c1ccccc1 ZINC000121721833 135225680 /nfs/dbraw/zinc/22/56/80/135225680.db2.gz DQCUOXKKGLZVOL-CYBMUJFWSA-N 0 3 202.301 3.029 20 30 BGEDHN C=CCN(CCCF)Cc1ccc(OC)cc1 ZINC000121728984 135224298 /nfs/dbraw/zinc/22/42/98/135224298.db2.gz IDNCGSWZMXRFGO-UHFFFAOYSA-N 0 3 237.318 3.043 20 30 BGEDHN CC#CCN1CCCCC[C@@H]1c1ccco1 ZINC000121738557 356937759 /nfs/dbraw/zinc/93/77/59/356937759.db2.gz FSGRYCLJLWKUBG-CYBMUJFWSA-N 0 3 217.312 3.220 20 30 BGEDHN CC#CCN1CCCCC[C@H]1c1ccco1 ZINC000121738728 356937898 /nfs/dbraw/zinc/93/78/98/356937898.db2.gz FSGRYCLJLWKUBG-ZDUSSCGKSA-N 0 3 217.312 3.220 20 30 BGEDHN C=C(C)COCCNCc1coc2ccccc12 ZINC000121758564 135224469 /nfs/dbraw/zinc/22/44/69/135224469.db2.gz QPODOUZLYQZDBM-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=CCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121766762 534847345 /nfs/dbraw/zinc/84/73/45/534847345.db2.gz LUDXYNPUJJEZDY-KGLIPLIRSA-N 0 3 249.354 3.134 20 30 BGEDHN C=CCN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121766933 534847613 /nfs/dbraw/zinc/84/76/13/534847613.db2.gz LUDXYNPUJJEZDY-KBPBESRZSA-N 0 3 249.354 3.134 20 30 BGEDHN C=CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000121845033 135225662 /nfs/dbraw/zinc/22/56/62/135225662.db2.gz HFLKSGSVVQYRBQ-GFCCVEGCSA-N 0 3 241.338 3.017 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000121845224 134236070 /nfs/dbraw/zinc/23/60/70/134236070.db2.gz HFLKSGSVVQYRBQ-LBPRGKRZSA-N 0 3 241.338 3.017 20 30 BGEDHN C=C(Br)CN(CC1CC1)CC1CC1 ZINC000121948832 589541356 /nfs/dbraw/zinc/54/13/56/589541356.db2.gz BKAUCDCDHJHDMB-UHFFFAOYSA-N 0 3 244.176 3.017 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000121956027 135225608 /nfs/dbraw/zinc/22/56/08/135225608.db2.gz PBDKNGSHWSBLPO-AAEUAGOBSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000121956182 135226184 /nfs/dbraw/zinc/22/61/84/135226184.db2.gz PBDKNGSHWSBLPO-WCQYABFASA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000121956361 135226205 /nfs/dbraw/zinc/22/62/05/135226205.db2.gz PBDKNGSHWSBLPO-YPMHNXCESA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000121956551 135225335 /nfs/dbraw/zinc/22/53/35/135225335.db2.gz PBDKNGSHWSBLPO-DGCLKSJQSA-N 0 3 219.328 3.398 20 30 BGEDHN CC(C)CN(Cc1ccc(C#N)s1)C1CC1 ZINC000122168801 362936766 /nfs/dbraw/zinc/93/67/66/362936766.db2.gz GMGSDDQXUCLCSZ-UHFFFAOYSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H](CCNCC(C)(C)C#N)c1ccccc1 ZINC000122217997 324031076 /nfs/dbraw/zinc/03/10/76/324031076.db2.gz VASPHDKGHPCEMM-ZDUSSCGKSA-N 0 3 230.355 3.320 20 30 BGEDHN C[C@H](CCNCC(C)(C)C#N)c1ccccc1 ZINC000122218217 324030760 /nfs/dbraw/zinc/03/07/60/324030760.db2.gz VASPHDKGHPCEMM-CYBMUJFWSA-N 0 3 230.355 3.320 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000122224214 177186822 /nfs/dbraw/zinc/18/68/22/177186822.db2.gz HZHHOPHVKBNCNX-PHIMTYICSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000122224453 177199149 /nfs/dbraw/zinc/19/91/49/177199149.db2.gz HZHHOPHVKBNCNX-QWRGUYRKSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000122224664 176199816 /nfs/dbraw/zinc/19/98/16/176199816.db2.gz HZHHOPHVKBNCNX-GHMZBOCLSA-N 0 3 232.302 3.070 20 30 BGEDHN C=C(CNCc1ccoc1)c1ccccc1 ZINC000122232972 589567497 /nfs/dbraw/zinc/56/74/97/589567497.db2.gz RTHWBCARYQKIML-UHFFFAOYSA-N 0 3 213.280 3.083 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122246845 324035040 /nfs/dbraw/zinc/03/50/40/324035040.db2.gz GDHZEKDIMMFVCC-VHSXEESVSA-N 0 3 248.292 3.247 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122247050 324035153 /nfs/dbraw/zinc/03/51/53/324035153.db2.gz GDHZEKDIMMFVCC-UWVGGRQHSA-N 0 3 248.292 3.247 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000122247285 324035100 /nfs/dbraw/zinc/03/51/00/324035100.db2.gz GDHZEKDIMMFVCC-NXEZZACHSA-N 0 3 248.292 3.247 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000122247525 324034646 /nfs/dbraw/zinc/03/46/46/324034646.db2.gz GDHZEKDIMMFVCC-ZJUUUORDSA-N 0 3 248.292 3.247 20 30 BGEDHN C=CC[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000122263333 589573393 /nfs/dbraw/zinc/57/33/93/589573393.db2.gz KLYYCPVMLWMXLJ-JTQLQIEISA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000122263533 589573546 /nfs/dbraw/zinc/57/35/46/589573546.db2.gz KLYYCPVMLWMXLJ-SNVBAGLBSA-N 0 3 238.400 3.495 20 30 BGEDHN Cc1cc(C)nc(NCC(C)(C)CCC#N)c1 ZINC000122300027 344954099 /nfs/dbraw/zinc/95/40/99/344954099.db2.gz RLKDVBVDIVHSCP-UHFFFAOYSA-N 0 3 231.343 3.440 20 30 BGEDHN Cc1cc(C)nc(NCc2cccc(C#N)c2)c1 ZINC000122316169 385262952 /nfs/dbraw/zinc/26/29/52/385262952.db2.gz TXTIFNXSRPIVAL-UHFFFAOYSA-N 0 3 237.306 3.182 20 30 BGEDHN Cc1cc(C)nc(NCc2cc(C#N)cs2)c1 ZINC000122349964 388380778 /nfs/dbraw/zinc/38/07/78/388380778.db2.gz ZBEDJKGMMXLLSE-UHFFFAOYSA-N 0 3 243.335 3.244 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000122491590 176174201 /nfs/dbraw/zinc/17/42/01/176174201.db2.gz CYRHIBKTKBXLHI-NEPJUHHUSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1C ZINC000122491821 177162839 /nfs/dbraw/zinc/16/28/39/177162839.db2.gz CYRHIBKTKBXLHI-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H](C#N)CNC1CC(C)(C)CC(C)(C)C1 ZINC000122523664 343160326 /nfs/dbraw/zinc/16/03/26/343160326.db2.gz GLWCILWVJPPTES-LLVKDONJSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](C#N)CNC1CC(C)(C)CC(C)(C)C1 ZINC000122523906 343160401 /nfs/dbraw/zinc/16/04/01/343160401.db2.gz GLWCILWVJPPTES-NSHDSACASA-N 0 3 222.376 3.341 20 30 BGEDHN C=C(C)CNCc1ccccc1OC(F)(F)F ZINC000122532620 324047555 /nfs/dbraw/zinc/04/75/55/324047555.db2.gz PGSFSFJHHYIXGQ-UHFFFAOYSA-N 0 3 245.244 3.251 20 30 BGEDHN C=CCN(CCSCC)Cc1cccs1 ZINC000122534024 134239560 /nfs/dbraw/zinc/23/95/60/134239560.db2.gz CABLLIWBJNWFSV-UHFFFAOYSA-N 0 3 241.425 3.489 20 30 BGEDHN C=C(C)CNCc1cc2cccc(OC)c2o1 ZINC000122543106 589600365 /nfs/dbraw/zinc/60/03/65/589600365.db2.gz MPUOMBWNGJJGQC-UHFFFAOYSA-N 0 3 231.295 3.107 20 30 BGEDHN C=C(C)CNCc1cccc2c1OC(C)(C)C2 ZINC000122548381 134239980 /nfs/dbraw/zinc/23/99/80/134239980.db2.gz FHOWSJBAUMKLRJ-UHFFFAOYSA-N 0 3 231.339 3.066 20 30 BGEDHN C=C(C)CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000122557184 589600975 /nfs/dbraw/zinc/60/09/75/589600975.db2.gz XDHVFAANFFYTCS-UHFFFAOYSA-N 0 3 231.339 3.066 20 30 BGEDHN C=C(C)CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000122560420 135227978 /nfs/dbraw/zinc/22/79/78/135227978.db2.gz GCVJYGNCJLRITE-ZDUSSCGKSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000122560656 135226955 /nfs/dbraw/zinc/22/69/55/135226955.db2.gz GCVJYGNCJLRITE-CYBMUJFWSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCC[C@H](O)CN(CC=C)Cc1ccccc1 ZINC000122565951 134239557 /nfs/dbraw/zinc/23/95/57/134239557.db2.gz ZMOUYCJLUCVLJO-INIZCTEOSA-N 0 3 245.366 3.002 20 30 BGEDHN C=C(C)CNCc1ccc(OC(C)C)c(OC)c1 ZINC000122566185 386510546 /nfs/dbraw/zinc/51/05/46/386510546.db2.gz VLFCQCHJWHYQTQ-UHFFFAOYSA-N 0 3 249.354 3.148 20 30 BGEDHN C=CCC[C@@H](O)CN(CC=C)Cc1ccccc1 ZINC000122566207 134239667 /nfs/dbraw/zinc/23/96/67/134239667.db2.gz ZMOUYCJLUCVLJO-MRXNPFEDSA-N 0 3 245.366 3.002 20 30 BGEDHN C=C(C)CNCc1ccc(OC(F)(F)F)cc1 ZINC000122574887 324049488 /nfs/dbraw/zinc/04/94/88/324049488.db2.gz IROGFMKUFZYHCQ-UHFFFAOYSA-N 0 3 245.244 3.251 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(OC(C)=O)cc1 ZINC000122604494 589609438 /nfs/dbraw/zinc/60/94/38/589609438.db2.gz LILFGNAKEHNFBE-UHFFFAOYSA-N 0 3 247.338 3.010 20 30 BGEDHN C=C(Br)CN[C@H]1CCC(C)(C)C1 ZINC000122609646 589609568 /nfs/dbraw/zinc/60/95/68/589609568.db2.gz VKBOBJVKGYKNPB-VIFPVBQESA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@@H]1CCC(C)(C)C1 ZINC000122609887 589609380 /nfs/dbraw/zinc/60/93/80/589609380.db2.gz VKBOBJVKGYKNPB-SECBINFHSA-N 0 3 232.165 3.063 20 30 BGEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000122624447 176173792 /nfs/dbraw/zinc/17/37/92/176173792.db2.gz GGLWKYHOMQENMX-NEPJUHHUSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000122624688 177163378 /nfs/dbraw/zinc/16/33/78/177163378.db2.gz GGLWKYHOMQENMX-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H](NCCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000122696996 388414367 /nfs/dbraw/zinc/41/43/67/388414367.db2.gz VYPCRFDGCUIKRA-LBPRGKRZSA-N 0 3 246.354 3.024 20 30 BGEDHN C[C@@H](NCCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000122697246 388414769 /nfs/dbraw/zinc/41/47/69/388414769.db2.gz VYPCRFDGCUIKRA-GFCCVEGCSA-N 0 3 246.354 3.024 20 30 BGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000122710218 176176634 /nfs/dbraw/zinc/17/66/34/176176634.db2.gz QBSKBZREDHLIFA-OLZOCXBDSA-N 0 3 228.339 3.036 20 30 BGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000122710423 177164903 /nfs/dbraw/zinc/16/49/03/177164903.db2.gz QBSKBZREDHLIFA-STQMWFEESA-N 0 3 228.339 3.036 20 30 BGEDHN C[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000122786551 176175819 /nfs/dbraw/zinc/17/58/19/176175819.db2.gz CAXTTYADXKKZFA-OLZOCXBDSA-N 0 3 228.339 3.036 20 30 BGEDHN C[C@H]1CN(Cc2ccccc2C#N)CC[C@@H]1C ZINC000122786773 177165887 /nfs/dbraw/zinc/16/58/87/177165887.db2.gz CAXTTYADXKKZFA-STQMWFEESA-N 0 3 228.339 3.036 20 30 BGEDHN N#Cc1cc(CN2CCC3(CCC3)C2)ccc1F ZINC000122806922 181084541 /nfs/dbraw/zinc/08/45/41/181084541.db2.gz DUARSEOCCWXWTB-UHFFFAOYSA-N 0 3 244.313 3.073 20 30 BGEDHN C=CCOc1ccccc1CN(C)CC1CC1 ZINC000122913230 134241675 /nfs/dbraw/zinc/24/16/75/134241675.db2.gz TYZRYJGWFMNUBC-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967432 534668206 /nfs/dbraw/zinc/66/82/06/534668206.db2.gz MKRZNYDLWBWYQE-YUMQZZPRSA-N 0 3 229.245 3.329 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967625 534509505 /nfs/dbraw/zinc/50/95/05/534509505.db2.gz MKRZNYDLWBWYQE-SFYZADRCSA-N 0 3 229.245 3.329 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967811 534670056 /nfs/dbraw/zinc/67/00/56/534670056.db2.gz MKRZNYDLWBWYQE-JGVFFNPUSA-N 0 3 229.245 3.329 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000122968029 386538555 /nfs/dbraw/zinc/53/85/55/386538555.db2.gz MKRZNYDLWBWYQE-HTQZYQBOSA-N 0 3 229.245 3.329 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000122968251 490185331 /nfs/dbraw/zinc/18/53/31/490185331.db2.gz UFRYQUCEAFIKOS-TVQRCGJNSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000122968470 490185242 /nfs/dbraw/zinc/18/52/42/490185242.db2.gz UFRYQUCEAFIKOS-NOZJJQNGSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000122968671 490185759 /nfs/dbraw/zinc/18/57/59/490185759.db2.gz UFRYQUCEAFIKOS-ZANVPECISA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000122968890 490185787 /nfs/dbraw/zinc/18/57/87/490185787.db2.gz UFRYQUCEAFIKOS-RNCFNFMXSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000122969616 589646433 /nfs/dbraw/zinc/64/64/33/589646433.db2.gz GIRIOKHSGQOBOG-NWDGAFQWSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000122969807 589646309 /nfs/dbraw/zinc/64/63/09/589646309.db2.gz GIRIOKHSGQOBOG-RYUDHWBXSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000122970014 589646252 /nfs/dbraw/zinc/64/62/52/589646252.db2.gz GIRIOKHSGQOBOG-VXGBXAGGSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000122970200 589646368 /nfs/dbraw/zinc/64/63/68/589646368.db2.gz GIRIOKHSGQOBOG-NEPJUHHUSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2nc(CC)sc21 ZINC000122972801 534669071 /nfs/dbraw/zinc/66/90/71/534669071.db2.gz JQZPIGAMMCXDLD-VHSXEESVSA-N 0 3 236.384 3.247 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2nc(CC)sc21 ZINC000122973008 134241974 /nfs/dbraw/zinc/24/19/74/134241974.db2.gz JQZPIGAMMCXDLD-UWVGGRQHSA-N 0 3 236.384 3.247 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2nc(CC)sc21 ZINC000122973212 534513105 /nfs/dbraw/zinc/51/31/05/534513105.db2.gz JQZPIGAMMCXDLD-NXEZZACHSA-N 0 3 236.384 3.247 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2nc(CC)sc21 ZINC000122973406 134242064 /nfs/dbraw/zinc/24/20/64/134242064.db2.gz JQZPIGAMMCXDLD-ZJUUUORDSA-N 0 3 236.384 3.247 20 30 BGEDHN C#C[C@H](C)NCc1ccc(-c2ccccc2)cc1 ZINC000123057125 589658256 /nfs/dbraw/zinc/65/82/56/589658256.db2.gz ABHBLMSFIVDKHY-AWEZNQCLSA-N 0 3 235.330 3.465 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(-c2ccccc2)cc1 ZINC000123057326 589658450 /nfs/dbraw/zinc/65/84/50/589658450.db2.gz ABHBLMSFIVDKHY-CQSZACIVSA-N 0 3 235.330 3.465 20 30 BGEDHN C#C[C@H](C)NCc1c2ccccc2oc1CC ZINC000123080938 589661018 /nfs/dbraw/zinc/66/10/18/589661018.db2.gz AGABSOVVOXHZST-NSHDSACASA-N 0 3 227.307 3.107 20 30 BGEDHN C#C[C@@H](C)NCc1c2ccccc2oc1CC ZINC000123081156 589661223 /nfs/dbraw/zinc/66/12/23/589661223.db2.gz AGABSOVVOXHZST-LLVKDONJSA-N 0 3 227.307 3.107 20 30 BGEDHN C#C[C@H](C)NCc1ccc(OCCC(C)C)cc1 ZINC000123099672 589661957 /nfs/dbraw/zinc/66/19/57/589661957.db2.gz UBMWABHEDBMDDG-AWEZNQCLSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(OCCC(C)C)cc1 ZINC000123099846 589661980 /nfs/dbraw/zinc/66/19/80/589661980.db2.gz UBMWABHEDBMDDG-CQSZACIVSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@H](C)NCc1ccc(OCCCCC)cc1 ZINC000123133356 589665498 /nfs/dbraw/zinc/66/54/98/589665498.db2.gz FLYVMWJZOAFPBG-AWEZNQCLSA-N 0 3 245.366 3.367 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(OCCCCC)cc1 ZINC000123133504 589666053 /nfs/dbraw/zinc/66/60/53/589666053.db2.gz FLYVMWJZOAFPBG-CQSZACIVSA-N 0 3 245.366 3.367 20 30 BGEDHN C=CCN(CCCF)CCc1ccccc1 ZINC000123139099 386538602 /nfs/dbraw/zinc/53/86/02/386538602.db2.gz IYNPBEPATMOILG-UHFFFAOYSA-N 0 3 221.319 3.077 20 30 BGEDHN CN(Cc1ccc(C#N)s1)CC1CCCC1 ZINC000123171195 398292647 /nfs/dbraw/zinc/29/26/47/398292647.db2.gz KZRPLQFUJUFOIP-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN C=C[C@H](C)NCc1ccc2c(c1)CC(C)(C)O2 ZINC000123183324 589671867 /nfs/dbraw/zinc/67/18/67/589671867.db2.gz DIDVHJYXTGDDRT-NSHDSACASA-N 0 3 231.339 3.064 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2c(c1)CC(C)(C)O2 ZINC000123183535 589672063 /nfs/dbraw/zinc/67/20/63/589672063.db2.gz DIDVHJYXTGDDRT-LLVKDONJSA-N 0 3 231.339 3.064 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OC(F)(F)F)cc1 ZINC000123185166 324094646 /nfs/dbraw/zinc/09/46/46/324094646.db2.gz VPHBYXCICMABCS-VIFPVBQESA-N 0 3 245.244 3.249 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OC(F)(F)F)cc1 ZINC000123185379 324094782 /nfs/dbraw/zinc/09/47/82/324094782.db2.gz VPHBYXCICMABCS-SECBINFHSA-N 0 3 245.244 3.249 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OC(C)C)c(OC)c1 ZINC000123187497 324094707 /nfs/dbraw/zinc/09/47/07/324094707.db2.gz QCQXGODFPCQQIK-LBPRGKRZSA-N 0 3 249.354 3.147 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OC(C)C)c(OC)c1 ZINC000123187747 324094837 /nfs/dbraw/zinc/09/48/37/324094837.db2.gz QCQXGODFPCQQIK-GFCCVEGCSA-N 0 3 249.354 3.147 20 30 BGEDHN C=C[C@H](C)NCc1cccc2c1OC(C)(C)C2 ZINC000123190234 534666638 /nfs/dbraw/zinc/66/66/38/534666638.db2.gz UTWUTCBHCNJKRK-NSHDSACASA-N 0 3 231.339 3.064 20 30 BGEDHN C=C[C@@H](C)NCc1cccc2c1OC(C)(C)C2 ZINC000123190402 534508259 /nfs/dbraw/zinc/50/82/59/534508259.db2.gz UTWUTCBHCNJKRK-LLVKDONJSA-N 0 3 231.339 3.064 20 30 BGEDHN C=C[C@H](C)NCc1cc2cccc(OC)c2o1 ZINC000123199840 589672886 /nfs/dbraw/zinc/67/28/86/589672886.db2.gz CVQJEUVVLWIURX-JTQLQIEISA-N 0 3 231.295 3.106 20 30 BGEDHN C=C[C@@H](C)NCc1cc2cccc(OC)c2o1 ZINC000123200041 589673183 /nfs/dbraw/zinc/67/31/83/589673183.db2.gz CVQJEUVVLWIURX-SNVBAGLBSA-N 0 3 231.295 3.106 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000123206128 177186031 /nfs/dbraw/zinc/18/60/31/177186031.db2.gz FAWOKPJBTDCKSN-PHIMTYICSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000123206337 177199420 /nfs/dbraw/zinc/19/94/20/177199420.db2.gz FAWOKPJBTDCKSN-QWRGUYRKSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000123206573 176200039 /nfs/dbraw/zinc/20/00/39/176200039.db2.gz FAWOKPJBTDCKSN-GHMZBOCLSA-N 0 3 232.302 3.070 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OC ZINC000123255777 323171935 /nfs/dbraw/zinc/17/19/35/323171935.db2.gz JCCYSJOYQNFPFZ-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000123436311 177186883 /nfs/dbraw/zinc/18/68/83/177186883.db2.gz FJRDOGRRSRRLBD-PHIMTYICSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000123436515 177199475 /nfs/dbraw/zinc/19/94/75/177199475.db2.gz FJRDOGRRSRRLBD-QWRGUYRKSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1F ZINC000123436745 176200006 /nfs/dbraw/zinc/20/00/06/176200006.db2.gz FJRDOGRRSRRLBD-GHMZBOCLSA-N 0 3 232.302 3.070 20 30 BGEDHN C#CCN(Cc1ccc(OC)cc1)C1CCCC1 ZINC000123440168 589708041 /nfs/dbraw/zinc/70/80/41/589708041.db2.gz TYURMZHSEZIAKZ-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCN(Cc1cccc(OC)c1)C1CCCC1 ZINC000123441576 589718038 /nfs/dbraw/zinc/71/80/38/589718038.db2.gz WPYSHKNPPYZQJM-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCN(Cc1ccccc1OC)C1CCCC1 ZINC000123442493 589718113 /nfs/dbraw/zinc/71/81/13/589718113.db2.gz XWDWSMVEKJBDOL-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCN(Cc1cccs1)C1CCCC1 ZINC000123448028 589718293 /nfs/dbraw/zinc/71/82/93/589718293.db2.gz NDPWGWDWHCEWCN-UHFFFAOYSA-N 0 3 219.353 3.126 20 30 BGEDHN Cc1cc(C)c(CN2CCC(C#N)CC2)cc1C ZINC000123655202 358505887 /nfs/dbraw/zinc/50/58/87/358505887.db2.gz IOOGXMNBZGEJLI-UHFFFAOYSA-N 0 3 242.366 3.347 20 30 BGEDHN Cc1cccc(CN2CCC(C#N)CC2)c1C ZINC000123705597 179075097 /nfs/dbraw/zinc/07/50/97/179075097.db2.gz GUYDUIPJKHADIL-UHFFFAOYSA-N 0 3 228.339 3.039 20 30 BGEDHN Cc1ccc(CN2CCC(C#N)CC2)c(C)c1 ZINC000123721136 136271073 /nfs/dbraw/zinc/27/10/73/136271073.db2.gz ISRBMVGGZKKQQA-UHFFFAOYSA-N 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ZINC000124253238 345035173 /nfs/dbraw/zinc/03/51/73/345035173.db2.gz SQVXSZMQGHFPQA-UHFFFAOYSA-N 0 3 240.709 3.263 20 30 BGEDHN C=CC[C@H](C)NCc1cc(F)c(F)cc1F ZINC000124289687 386579769 /nfs/dbraw/zinc/57/97/69/386579769.db2.gz FUTWPZLOFYVQID-QMMMGPOBSA-N 0 3 229.245 3.158 20 30 BGEDHN C=CC[C@@H](C)NCc1cc(F)c(F)cc1F ZINC000124289938 386580249 /nfs/dbraw/zinc/58/02/49/386580249.db2.gz FUTWPZLOFYVQID-MRVPVSSYSA-N 0 3 229.245 3.158 20 30 BGEDHN CC[C@@H](CC#N)NCCCCC(F)(F)F ZINC000124310855 343167296 /nfs/dbraw/zinc/16/72/96/343167296.db2.gz RMBXXHIJBVOODP-VIFPVBQESA-N 0 3 222.254 3.001 20 30 BGEDHN CC[C@H](CC#N)NCCCCC(F)(F)F ZINC000124311001 343166976 /nfs/dbraw/zinc/16/69/76/343166976.db2.gz RMBXXHIJBVOODP-SECBINFHSA-N 0 3 222.254 3.001 20 30 BGEDHN C=CCOc1ccccc1CN1CCC[C@H]1C ZINC000124336279 358515653 /nfs/dbraw/zinc/51/56/53/358515653.db2.gz QGXFANVZDYMLHK-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CCC[C@@H]1C ZINC000124336541 358515670 /nfs/dbraw/zinc/51/56/70/358515670.db2.gz QGXFANVZDYMLHK-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C#CCCCCNCc1ccc(F)cc1Cl ZINC000124376323 589982769 /nfs/dbraw/zinc/98/27/69/589982769.db2.gz BYAMDOXDUDLVRS-UHFFFAOYSA-N 0 3 239.721 3.372 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000124501469 343561237 /nfs/dbraw/zinc/56/12/37/343561237.db2.gz ZGNHTMPUDUSRLB-FZMZJTMJSA-N 0 3 246.379 3.384 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(OC)ccc1OC ZINC000124533075 388663464 /nfs/dbraw/zinc/66/34/64/388663464.db2.gz COBJBYYRDYICDE-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000124574523 171053489 /nfs/dbraw/zinc/05/34/89/171053489.db2.gz PPOHYOGXDCPFDS-SMDDNHRTSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000124574734 387622843 /nfs/dbraw/zinc/62/28/43/387622843.db2.gz PPOHYOGXDCPFDS-FZMZJTMJSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1F ZINC000124574897 171037811 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/nfs/dbraw/zinc/03/80/64/171038064.db2.gz AJUXVQVLFYJYMB-IUODEOHRSA-N 0 3 228.339 3.321 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccccc1C#N ZINC000124599957 488160489 /nfs/dbraw/zinc/16/04/89/488160489.db2.gz AJUXVQVLFYJYMB-DOMZBBRYSA-N 0 3 228.339 3.321 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000124606526 171054516 /nfs/dbraw/zinc/05/45/16/171054516.db2.gz XKYRGHUDJSQOSZ-SMDDNHRTSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000124606702 398314906 /nfs/dbraw/zinc/31/49/06/398314906.db2.gz XKYRGHUDJSQOSZ-FZMZJTMJSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000124606895 171037677 /nfs/dbraw/zinc/03/76/77/171037677.db2.gz XKYRGHUDJSQOSZ-BXUZGUMPSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000124607090 398314812 /nfs/dbraw/zinc/31/48/12/398314812.db2.gz XKYRGHUDJSQOSZ-RISCZKNCSA-N 0 3 246.329 3.460 20 30 BGEDHN CCCCCCCCCCNC(=O)C(C)C#N ZINC000124658736 590071592 /nfs/dbraw/zinc/07/15/92/590071592.db2.gz FNLKICRSXSNSGY-ZDUSSCGKSA-N 0 3 238.375 3.403 20 30 BGEDHN CCCCCCCCCCNC(=O)C(C)C#N ZINC000124658989 590071270 /nfs/dbraw/zinc/07/12/70/590071270.db2.gz FNLKICRSXSNSGY-CYBMUJFWSA-N 0 3 238.375 3.403 20 30 BGEDHN N#Cc1ccc(CN2CCC3(CCCC3)C2)s1 ZINC000124666764 187232379 /nfs/dbraw/zinc/23/23/79/187232379.db2.gz PRJJERZHWMASOC-UHFFFAOYSA-N 0 3 246.379 3.386 20 30 BGEDHN CCCCCCCCN[C@@H](C)c1ncc[nH]1 ZINC000124676202 590071815 /nfs/dbraw/zinc/07/18/15/590071815.db2.gz NZNCJYGXCRPGRO-LBPRGKRZSA-N 0 3 223.364 3.421 20 30 BGEDHN CCCCCCCCN[C@H](C)c1ncc[nH]1 ZINC000124676420 590072529 /nfs/dbraw/zinc/07/25/29/590072529.db2.gz NZNCJYGXCRPGRO-GFCCVEGCSA-N 0 3 223.364 3.421 20 30 BGEDHN CC(C)CCC1CCN(CCCC#N)CC1 ZINC000124705011 358525060 /nfs/dbraw/zinc/52/50/60/358525060.db2.gz UOAPKAUFCOTEDX-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CC(C)C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000124788326 371234453 /nfs/dbraw/zinc/23/44/53/371234453.db2.gz QTQIHWQBTWZADU-LBPRGKRZSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)C[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000124788561 371234263 /nfs/dbraw/zinc/23/42/63/371234263.db2.gz QTQIHWQBTWZADU-GFCCVEGCSA-N 0 3 248.395 3.488 20 30 BGEDHN CCCCCCCN[C@@H](C)c1ncc[nH]1 ZINC000124798639 590085299 /nfs/dbraw/zinc/08/52/99/590085299.db2.gz CDKRJAISOOEAMG-NSHDSACASA-N 0 3 209.337 3.031 20 30 BGEDHN CCCCCCCN[C@H](C)c1ncc[nH]1 ZINC000124798886 590085717 /nfs/dbraw/zinc/08/57/17/590085717.db2.gz CDKRJAISOOEAMG-LLVKDONJSA-N 0 3 209.337 3.031 20 30 BGEDHN CCN(CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000124962086 388667140 /nfs/dbraw/zinc/66/71/40/388667140.db2.gz RSZFNBKLIKMSJZ-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C#CCN(Cc1ccoc1)C1CCCCC1 ZINC000124979139 590107204 /nfs/dbraw/zinc/10/72/04/590107204.db2.gz QFHOVODBZYSCLK-UHFFFAOYSA-N 0 3 217.312 3.048 20 30 BGEDHN C=CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000124996894 358530645 /nfs/dbraw/zinc/53/06/45/358530645.db2.gz ZVEQUMOIZFKCNQ-UHFFFAOYSA-N 0 3 232.352 3.018 20 30 BGEDHN Cc1ccccc1[C@@H](C)N1CCC(C#N)CC1 ZINC000125000937 345062619 /nfs/dbraw/zinc/06/26/19/345062619.db2.gz PNSWREDAPWGWJZ-CYBMUJFWSA-N 0 3 228.339 3.292 20 30 BGEDHN Cc1ccccc1[C@H](C)N1CCC(C#N)CC1 ZINC000125001189 345062690 /nfs/dbraw/zinc/06/26/90/345062690.db2.gz PNSWREDAPWGWJZ-ZDUSSCGKSA-N 0 3 228.339 3.292 20 30 BGEDHN C[C@@H](CC#N)N(C)CC1CCC(C)CC1 ZINC000125004938 350729107 /nfs/dbraw/zinc/72/91/07/350729107.db2.gz ODLZNNSSPNIOAA-CPCZMJQVSA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@H](CC#N)N(C)CC1CCC(C)CC1 ZINC000125005123 168153357 /nfs/dbraw/zinc/15/33/57/168153357.db2.gz ODLZNNSSPNIOAA-OTTFEQOBSA-N 0 3 208.349 3.047 20 30 BGEDHN C=CCOc1ccccc1CNC1CC=CC1 ZINC000125017675 411337849 /nfs/dbraw/zinc/33/78/49/411337849.db2.gz BYFSYFMXPCCUMX-UHFFFAOYSA-N 0 3 229.323 3.060 20 30 BGEDHN Cc1nc([C@@H](C)NCCCCC#N)c(C)s1 ZINC000125050512 371279727 /nfs/dbraw/zinc/27/97/27/371279727.db2.gz YXOGRDWYRSIADO-SECBINFHSA-N 0 3 237.372 3.104 20 30 BGEDHN Cc1nc([C@H](C)NCCCCC#N)c(C)s1 ZINC000125050682 371279195 /nfs/dbraw/zinc/27/91/95/371279195.db2.gz YXOGRDWYRSIADO-VIFPVBQESA-N 0 3 237.372 3.104 20 30 BGEDHN CCCCCCCCNCc1ccnn1CC ZINC000125129027 590125750 /nfs/dbraw/zinc/12/57/50/590125750.db2.gz LQWYAYZHIYHVCC-UHFFFAOYSA-N 0 3 237.391 3.353 20 30 BGEDHN C=C(Br)CN[C@H](CC)CCCC ZINC000125139667 583573358 /nfs/dbraw/zinc/57/33/58/583573358.db2.gz BYEQIHXZKVFVGJ-SNVBAGLBSA-N 0 3 234.181 3.453 20 30 BGEDHN C=C(Br)CN[C@@H](CC)CCCC ZINC000125139926 590126338 /nfs/dbraw/zinc/12/63/38/590126338.db2.gz BYEQIHXZKVFVGJ-JTQLQIEISA-N 0 3 234.181 3.453 20 30 BGEDHN C=CCCCN(CCOC)Cc1ccc(C)o1 ZINC000125317033 136271520 /nfs/dbraw/zinc/27/15/20/136271520.db2.gz AJCSZVKZNDPQMS-UHFFFAOYSA-N 0 3 237.343 3.003 20 30 BGEDHN CC#CCCNCc1ccc(C(F)F)cc1 ZINC000125503951 388672122 /nfs/dbraw/zinc/67/21/22/388672122.db2.gz LLROVJRPZZARGK-UHFFFAOYSA-N 0 3 223.266 3.127 20 30 BGEDHN CC(C)N(CC#Cc1ccc(F)cc1)C1CCC1 ZINC000125520531 388672311 /nfs/dbraw/zinc/67/23/11/388672311.db2.gz WGBOWUSAUYIXGZ-UHFFFAOYSA-N 0 3 245.341 3.440 20 30 BGEDHN C=C(C)CN1CCC(OC2CCCCC2)CC1 ZINC000125542623 358540962 /nfs/dbraw/zinc/54/09/62/358540962.db2.gz LDFDQNFHFIICCY-UHFFFAOYSA-N 0 3 237.387 3.376 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1cccc(C)c1 ZINC000125607996 324645679 /nfs/dbraw/zinc/64/56/79/324645679.db2.gz WJMWUGRYXJRNGZ-CQSZACIVSA-N 0 3 233.355 3.238 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1cccc(C)c1 ZINC000125608257 324645264 /nfs/dbraw/zinc/64/52/64/324645264.db2.gz WJMWUGRYXJRNGZ-AWEZNQCLSA-N 0 3 233.355 3.238 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccc(F)cc1 ZINC000125612862 358542762 /nfs/dbraw/zinc/54/27/62/358542762.db2.gz UXTNFHVMNXSIBB-LBPRGKRZSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccc(F)cc1 ZINC000125613122 386875452 /nfs/dbraw/zinc/87/54/52/386875452.db2.gz UXTNFHVMNXSIBB-GFCCVEGCSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1cccc(F)c1 ZINC000125614299 358543428 /nfs/dbraw/zinc/54/34/28/358543428.db2.gz SJFGXSWGEWBFSS-LBPRGKRZSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1cccc(F)c1 ZINC000125614523 358543417 /nfs/dbraw/zinc/54/34/17/358543417.db2.gz SJFGXSWGEWBFSS-GFCCVEGCSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCN(Cc1cncnc1)CC1CCCCC1 ZINC000125618868 491129154 /nfs/dbraw/zinc/12/91/54/491129154.db2.gz NPNBQUGNXJKURJ-UHFFFAOYSA-N 0 3 245.370 3.045 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccccc1F ZINC000125623364 358542913 /nfs/dbraw/zinc/54/29/13/358542913.db2.gz ADBQBCJJCQJGKP-LBPRGKRZSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccccc1F ZINC000125623582 358542942 /nfs/dbraw/zinc/54/29/42/358542942.db2.gz ADBQBCJJCQJGKP-GFCCVEGCSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)COCCNc1ccnc2ccccc21 ZINC000125674715 358542652 /nfs/dbraw/zinc/54/26/52/358542652.db2.gz NUSCPNSYNFTZKZ-UHFFFAOYSA-N 0 3 242.322 3.239 20 30 BGEDHN CC#CCCNCc1cc(Cl)ccc1Cl ZINC000125701894 384801046 /nfs/dbraw/zinc/80/10/46/384801046.db2.gz UBKOXEASKAXUDR-UHFFFAOYSA-N 0 3 242.149 3.496 20 30 BGEDHN CCN(CCCC#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000125764059 388676660 /nfs/dbraw/zinc/67/66/60/388676660.db2.gz JEJNBHXNUWHHAK-ZDUSSCGKSA-N 0 3 241.338 3.245 20 30 BGEDHN C=C(C)COCCNCc1cc2ccccc2o1 ZINC000125767775 388676837 /nfs/dbraw/zinc/67/68/37/388676837.db2.gz QIUQGXUEMFLKRK-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=C(C)COCCNCc1c(C)cc(C)cc1C ZINC000125789148 388676319 /nfs/dbraw/zinc/67/63/19/388676319.db2.gz PALLREPWVRQTIR-UHFFFAOYSA-N 0 3 247.382 3.294 20 30 BGEDHN C=C(C)COCCNCc1cc(C)c(C)cc1C ZINC000125795661 388678339 /nfs/dbraw/zinc/67/83/39/388678339.db2.gz YCBCZUBGZURNRC-UHFFFAOYSA-N 0 3 247.382 3.294 20 30 BGEDHN C=C(C)COCCNCc1ccc(C(C)C)cc1 ZINC000125818283 324657642 /nfs/dbraw/zinc/65/76/42/324657642.db2.gz QLNHTCCFKKSDQL-UHFFFAOYSA-N 0 3 247.382 3.492 20 30 BGEDHN CCCCCCCCN(C)[C@@H](C)C[S@](C)=O ZINC000125905989 590196788 /nfs/dbraw/zinc/19/67/88/590196788.db2.gz UVWHDYZXPSMFDZ-XJKSGUPXSA-N 0 3 247.448 3.046 20 30 BGEDHN CC(C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000125950902 353201237 /nfs/dbraw/zinc/20/12/37/353201237.db2.gz 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3.075 20 30 BGEDHN C=CCCCN[C@H](C)c1ncc(C)s1 ZINC000126115521 344168956 /nfs/dbraw/zinc/16/89/56/344168956.db2.gz BZFQGJWBMFVHOP-SNVBAGLBSA-N 0 3 210.346 3.068 20 30 BGEDHN C=CCCCN[C@@H](C)c1ncc(C)s1 ZINC000126115762 353218355 /nfs/dbraw/zinc/21/83/55/353218355.db2.gz BZFQGJWBMFVHOP-JTQLQIEISA-N 0 3 210.346 3.068 20 30 BGEDHN CC#CCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000126243714 344172625 /nfs/dbraw/zinc/17/26/25/344172625.db2.gz OWYXMFLYIXRSDX-ZDUSSCGKSA-N 0 3 221.731 3.404 20 30 BGEDHN CC#CCN[C@H](CC)c1ccc(Cl)cc1 ZINC000126243891 344172791 /nfs/dbraw/zinc/17/27/91/344172791.db2.gz OWYXMFLYIXRSDX-CYBMUJFWSA-N 0 3 221.731 3.404 20 30 BGEDHN CC#CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000126245255 409792012 /nfs/dbraw/zinc/79/20/12/409792012.db2.gz PMHPLQJZMGAPMK-CQSZACIVSA-N 0 3 233.742 3.404 20 30 BGEDHN CC#CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000126245474 388692598 /nfs/dbraw/zinc/69/25/98/388692598.db2.gz PMHPLQJZMGAPMK-AWEZNQCLSA-N 0 3 233.742 3.404 20 30 BGEDHN C=CCOc1ccc(CN(C)CC)cc1Cl ZINC000126250554 388692320 /nfs/dbraw/zinc/69/23/20/388692320.db2.gz ZVZVXSJNXXJGQR-UHFFFAOYSA-N 0 3 239.746 3.357 20 30 BGEDHN C=C(C)COc1cc(CN(C)CC)ccc1OC ZINC000126323612 345114729 /nfs/dbraw/zinc/11/47/29/345114729.db2.gz NCJUNCJOCRRYQD-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C#CCN[C@H](C)c1ccc(SCC)cc1 ZINC000126399132 590298225 /nfs/dbraw/zinc/29/82/25/590298225.db2.gz GYPKMGYNHGVWAU-LLVKDONJSA-N 0 3 219.353 3.082 20 30 BGEDHN C#CCN[C@@H](C)c1ccc(SCC)cc1 ZINC000126399300 590298196 /nfs/dbraw/zinc/29/81/96/590298196.db2.gz GYPKMGYNHGVWAU-NSHDSACASA-N 0 3 219.353 3.082 20 30 BGEDHN CCCCCC[C@@H](C)NCC(C)(C)C#N ZINC000126418867 590302001 /nfs/dbraw/zinc/30/20/01/590302001.db2.gz VRNLZXUEZDENFJ-GFCCVEGCSA-N 0 3 210.365 3.485 20 30 BGEDHN CCCCCC[C@H](C)NCC(C)(C)C#N ZINC000126419082 590301910 /nfs/dbraw/zinc/30/19/10/590301910.db2.gz VRNLZXUEZDENFJ-LBPRGKRZSA-N 0 3 210.365 3.485 20 30 BGEDHN CC(C)(C)C1CCC(CNCCC#N)CC1 ZINC000126601448 358551971 /nfs/dbraw/zinc/55/19/71/358551971.db2.gz UBDBWUQCUXBRMK-UHFFFAOYSA-N 0 3 222.376 3.342 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000126670599 490511338 /nfs/dbraw/zinc/51/13/38/490511338.db2.gz SYJLYMQZWZZFMJ-VHSXEESVSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1c(C)noc1C ZINC000126670835 490511222 /nfs/dbraw/zinc/51/12/22/490511222.db2.gz SYJLYMQZWZZFMJ-UWVGGRQHSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000126671022 490511393 /nfs/dbraw/zinc/51/13/93/490511393.db2.gz SYJLYMQZWZZFMJ-NXEZZACHSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1c(C)noc1C ZINC000126671240 491132133 /nfs/dbraw/zinc/13/21/33/491132133.db2.gz SYJLYMQZWZZFMJ-ZJUUUORDSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000126688356 324709818 /nfs/dbraw/zinc/70/98/18/324709818.db2.gz PCGZCINEHZLKEN-UWVGGRQHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000126688602 388699711 /nfs/dbraw/zinc/69/97/11/388699711.db2.gz PCGZCINEHZLKEN-ZJUUUORDSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000126690652 344182644 /nfs/dbraw/zinc/18/26/44/344182644.db2.gz WXLGWZQJBHLBTJ-GXSJLCMTSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000126690864 344182769 /nfs/dbraw/zinc/18/27/69/344182769.db2.gz WXLGWZQJBHLBTJ-ONGXEEELSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000126691091 344182617 /nfs/dbraw/zinc/18/26/17/344182617.db2.gz WXLGWZQJBHLBTJ-MWLCHTKSSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000126691262 344182949 /nfs/dbraw/zinc/18/29/49/344182949.db2.gz WXLGWZQJBHLBTJ-KOLCDFICSA-N 0 3 224.373 3.457 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000126725935 590428385 /nfs/dbraw/zinc/42/83/85/590428385.db2.gz QAVYRRZSSNGXMC-BFHYXJOUSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000126726353 590427977 /nfs/dbraw/zinc/42/79/77/590427977.db2.gz QAVYRRZSSNGXMC-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN CC[C@@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000126728400 324712043 /nfs/dbraw/zinc/71/20/43/324712043.db2.gz MIXZAFKFMXGPID-AWEZNQCLSA-N 0 3 230.355 3.147 20 30 BGEDHN CC[C@H](Cc1ccccc1)NCC(C)(C)C#N ZINC000126728548 323004217 /nfs/dbraw/zinc/00/42/17/323004217.db2.gz MIXZAFKFMXGPID-CQSZACIVSA-N 0 3 230.355 3.147 20 30 BGEDHN C=CCC[C@H](C)NCc1ccc(F)cc1F ZINC000126806545 324719427 /nfs/dbraw/zinc/71/94/27/324719427.db2.gz FIWNRYBPAZXJDZ-JTQLQIEISA-N 0 3 225.282 3.409 20 30 BGEDHN C=CCC[C@@H](C)NCc1ccc(F)cc1F ZINC000126806681 388703050 /nfs/dbraw/zinc/70/30/50/388703050.db2.gz FIWNRYBPAZXJDZ-SNVBAGLBSA-N 0 3 225.282 3.409 20 30 BGEDHN C=CCC[C@H](C)NCc1cc(F)ccc1F ZINC000126827284 388704443 /nfs/dbraw/zinc/70/44/43/388704443.db2.gz CQIWWUXEGAQGGH-JTQLQIEISA-N 0 3 225.282 3.409 20 30 BGEDHN C=CCC[C@@H](C)NCc1cc(F)ccc1F ZINC000126827505 388704806 /nfs/dbraw/zinc/70/48/06/388704806.db2.gz CQIWWUXEGAQGGH-SNVBAGLBSA-N 0 3 225.282 3.409 20 30 BGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000126869286 384182136 /nfs/dbraw/zinc/18/21/36/384182136.db2.gz KSBDZFOVLJPMAK-TXEJJXNPSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000126869471 384182051 /nfs/dbraw/zinc/18/20/51/384182051.db2.gz KSBDZFOVLJPMAK-VXGBXAGGSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000126869673 384182654 /nfs/dbraw/zinc/18/26/54/384182654.db2.gz KSBDZFOVLJPMAK-RYUDHWBXSA-N 0 3 246.379 3.242 20 30 BGEDHN C#CCN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127055388 590552790 /nfs/dbraw/zinc/55/27/90/590552790.db2.gz DWRLCHGBKANNEK-OAHLLOKOSA-N 0 3 242.366 3.050 20 30 BGEDHN C#CCN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000127055651 590553357 /nfs/dbraw/zinc/55/33/57/590553357.db2.gz DWRLCHGBKANNEK-HNNXBMFYSA-N 0 3 242.366 3.050 20 30 BGEDHN CC(C)(CCC#N)CN1CCc2ccsc2C1 ZINC000127093791 345156084 /nfs/dbraw/zinc/15/60/84/345156084.db2.gz NOXIKDIOGHWKQN-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000127166513 388717278 /nfs/dbraw/zinc/71/72/78/388717278.db2.gz LISRZACOTPZDCR-TVQRCGJNSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000127166742 388717712 /nfs/dbraw/zinc/71/77/12/388717712.db2.gz LISRZACOTPZDCR-NOZJJQNGSA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000127166984 324751014 /nfs/dbraw/zinc/75/10/14/324751014.db2.gz LISRZACOTPZDCR-ZANVPECISA-N 0 3 221.731 3.491 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000127167234 324750716 /nfs/dbraw/zinc/75/07/16/324750716.db2.gz LISRZACOTPZDCR-RNCFNFMXSA-N 0 3 221.731 3.491 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000127178894 176174908 /nfs/dbraw/zinc/17/49/08/176174908.db2.gz MVXLSGLTOSOBRD-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1C[C@@H](C)CCN1Cc1ccc(C#N)s1 ZINC000127179125 177163178 /nfs/dbraw/zinc/16/31/78/177163178.db2.gz MVXLSGLTOSOBRD-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)s1 ZINC000127254492 181103097 /nfs/dbraw/zinc/10/30/97/181103097.db2.gz CPHOTQGGXVTKFS-CQSZACIVSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)s1 ZINC000127254717 181103800 /nfs/dbraw/zinc/10/38/00/181103800.db2.gz CPHOTQGGXVTKFS-AWEZNQCLSA-N 0 3 246.379 3.384 20 30 BGEDHN C=CCC[C@H](CCC)NCc1cscn1 ZINC000127413528 388723102 /nfs/dbraw/zinc/72/31/02/388723102.db2.gz RYFNFVWLTFEMKY-NSHDSACASA-N 0 3 224.373 3.368 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1cscn1 ZINC000127413751 324766357 /nfs/dbraw/zinc/76/63/57/324766357.db2.gz RYFNFVWLTFEMKY-LLVKDONJSA-N 0 3 224.373 3.368 20 30 BGEDHN C[C@@H](C1CC1)N(C)CC#Cc1cccc(Cl)c1 ZINC000127517643 343726272 /nfs/dbraw/zinc/72/62/72/343726272.db2.gz UDEGSTIKXIZHPZ-LBPRGKRZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H](C1CC1)N(C)CC#Cc1cccc(Cl)c1 ZINC000127517880 353270295 /nfs/dbraw/zinc/27/02/95/353270295.db2.gz UDEGSTIKXIZHPZ-GFCCVEGCSA-N 0 3 247.769 3.422 20 30 BGEDHN C=CCOc1ccccc1CN(C)CCC ZINC000127544336 388724962 /nfs/dbraw/zinc/72/49/62/388724962.db2.gz DLYUSPJKWOTFMA-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000127651581 176173355 /nfs/dbraw/zinc/17/33/55/176173355.db2.gz WKELWHOWTCAKQS-MNOVXSKESA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1C ZINC000127651800 177163219 /nfs/dbraw/zinc/16/32/19/177163219.db2.gz WKELWHOWTCAKQS-QWRGUYRKSA-N 0 3 234.368 3.098 20 30 BGEDHN CCN(CCC#N)CC1CCCCCC1 ZINC000127670334 388729644 /nfs/dbraw/zinc/72/96/44/388729644.db2.gz JPZAIDUDNCDAOS-UHFFFAOYSA-N 0 3 208.349 3.192 20 30 BGEDHN C=C(Cl)CNC[C@@H]1C[C@@H]1c1ccccc1 ZINC000127671404 590750183 /nfs/dbraw/zinc/75/01/83/590750183.db2.gz NFZULGKGYZNBJP-QWHCGFSZSA-N 0 3 221.731 3.132 20 30 BGEDHN C=C(Cl)CNC[C@H]1C[C@@H]1c1ccccc1 ZINC000127671609 590749657 /nfs/dbraw/zinc/74/96/57/590749657.db2.gz NFZULGKGYZNBJP-CHWSQXEVSA-N 0 3 221.731 3.132 20 30 BGEDHN C=C(Cl)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000127671802 590750282 /nfs/dbraw/zinc/75/02/82/590750282.db2.gz NFZULGKGYZNBJP-STQMWFEESA-N 0 3 221.731 3.132 20 30 BGEDHN C=C(Cl)CNC[C@H]1C[C@H]1c1ccccc1 ZINC000127672012 590749270 /nfs/dbraw/zinc/74/92/70/590749270.db2.gz NFZULGKGYZNBJP-OLZOCXBDSA-N 0 3 221.731 3.132 20 30 BGEDHN CN(CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000127683897 388729770 /nfs/dbraw/zinc/72/97/70/388729770.db2.gz MDHLJXFXTNTTGX-UHFFFAOYSA-N 0 3 245.341 3.442 20 30 BGEDHN CCN(CCC#N)CC1CCC(C)CC1 ZINC000127684886 384912248 /nfs/dbraw/zinc/91/22/48/384912248.db2.gz KJFGSLDNNHJBKL-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000127718722 388729817 /nfs/dbraw/zinc/72/98/17/388729817.db2.gz OFOHUJTWUFBSFI-CYBMUJFWSA-N 0 3 231.314 3.052 20 30 BGEDHN C[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000127718915 388729351 /nfs/dbraw/zinc/72/93/51/388729351.db2.gz OFOHUJTWUFBSFI-ZDUSSCGKSA-N 0 3 231.314 3.052 20 30 BGEDHN C=C(C)CN(CC)CC#Cc1ccc(F)cc1 ZINC000127720436 388730512 /nfs/dbraw/zinc/73/05/12/388730512.db2.gz HGVYRZOESGRREM-UHFFFAOYSA-N 0 3 231.314 3.075 20 30 BGEDHN C=CCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000127766786 323174195 /nfs/dbraw/zinc/17/41/95/323174195.db2.gz QHNCJZPVGLBMLE-UHFFFAOYSA-N 0 3 245.244 3.203 20 30 BGEDHN C=CCCCCCN(C)Cc1cnn(CCC)c1 ZINC000127769570 358566535 /nfs/dbraw/zinc/56/65/35/358566535.db2.gz XQMWPWLPTAYMIH-UHFFFAOYSA-N 0 3 249.402 3.471 20 30 BGEDHN C=CCCCCCN(C)Cc1c(C)n[nH]c1C ZINC000127769872 323174241 /nfs/dbraw/zinc/17/42/41/323174241.db2.gz MPKAJWNLNFFPPI-UHFFFAOYSA-N 0 3 235.375 3.205 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000127780697 177182682 /nfs/dbraw/zinc/18/26/82/177182682.db2.gz ANLMKEZLOQZWNO-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000127780929 177198287 /nfs/dbraw/zinc/19/82/87/177198287.db2.gz ANLMKEZLOQZWNO-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000127781103 176197269 /nfs/dbraw/zinc/19/72/69/176197269.db2.gz ANLMKEZLOQZWNO-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(C#N)s1 ZINC000127781323 177184604 /nfs/dbraw/zinc/18/46/04/177184604.db2.gz ANLMKEZLOQZWNO-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H](NCCCC#N)c1ccc(C)cc1 ZINC000128378135 344205850 /nfs/dbraw/zinc/20/58/50/344205850.db2.gz CQEVUJHTTPVZEY-AWEZNQCLSA-N 0 3 216.328 3.340 20 30 BGEDHN CC[C@@H](NCCCC#N)c1ccc(C)cc1 ZINC000128378326 344205899 /nfs/dbraw/zinc/20/58/99/344205899.db2.gz CQEVUJHTTPVZEY-CQSZACIVSA-N 0 3 216.328 3.340 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128509281 133646884 /nfs/dbraw/zinc/64/68/84/133646884.db2.gz GVKHBYZYCSVCJK-LLVKDONJSA-N 0 3 234.299 3.130 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128509501 353289715 /nfs/dbraw/zinc/28/97/15/353289715.db2.gz GVKHBYZYCSVCJK-NSHDSACASA-N 0 3 234.299 3.130 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccccc1C ZINC000128533782 388770556 /nfs/dbraw/zinc/77/05/56/388770556.db2.gz CUAHFLZQAWYIOL-CQSZACIVSA-N 0 3 233.355 3.238 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccccc1C ZINC000128534012 388770039 /nfs/dbraw/zinc/77/00/39/388770039.db2.gz CUAHFLZQAWYIOL-AWEZNQCLSA-N 0 3 233.355 3.238 20 30 BGEDHN C=CCCCCCN(C)Cc1cnoc1C ZINC000128696558 388786587 /nfs/dbraw/zinc/78/65/87/388786587.db2.gz PWKWCWFFHDIHNN-UHFFFAOYSA-N 0 3 222.332 3.161 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000128835604 350568839 /nfs/dbraw/zinc/56/88/39/350568839.db2.gz NTDQMUGOOWXSEE-GFCCVEGCSA-N 0 3 232.327 3.163 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000128835802 386698858 /nfs/dbraw/zinc/69/88/58/386698858.db2.gz NTDQMUGOOWXSEE-LBPRGKRZSA-N 0 3 232.327 3.163 20 30 BGEDHN C=CCCCN(C)Cc1ccc(C#N)s1 ZINC000128886902 385082946 /nfs/dbraw/zinc/08/29/46/385082946.db2.gz SVXFRCBUAOIVGC-UHFFFAOYSA-N 0 3 220.341 3.018 20 30 BGEDHN C=C(C)COCCNC/C=C/c1ccc(F)cc1 ZINC000128905594 324896294 /nfs/dbraw/zinc/89/62/94/324896294.db2.gz YTVYBSRZAOGTKE-ONEGZZNKSA-N 0 3 249.329 3.021 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)C1CCCCC1 ZINC000129142678 324921731 /nfs/dbraw/zinc/92/17/31/324921731.db2.gz BLUQJAJYHXQTKS-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)C1CCCCC1 ZINC000129142907 388820107 /nfs/dbraw/zinc/82/01/07/388820107.db2.gz BLUQJAJYHXQTKS-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCC(C)(C)CC1 ZINC000129166136 351003057 /nfs/dbraw/zinc/00/30/57/351003057.db2.gz LKMFCOSZIWUXPL-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCC(C)(C)CC1 ZINC000129166368 351002521 /nfs/dbraw/zinc/00/25/21/351002521.db2.gz LKMFCOSZIWUXPL-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCC(C)(C)C#N)CC1 ZINC000129185996 351004591 /nfs/dbraw/zinc/00/45/91/351004591.db2.gz KXYLOMZLVBBHFY-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H]1CCC[C@H](NCC(C)(C)C#N)CC1 ZINC000129186208 351004803 /nfs/dbraw/zinc/00/48/03/351004803.db2.gz KXYLOMZLVBBHFY-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCC(C)(C)C#N)CC1 ZINC000129186418 351004755 /nfs/dbraw/zinc/00/47/55/351004755.db2.gz KXYLOMZLVBBHFY-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCC(C)(C)C#N)CC1 ZINC000129186658 351004290 /nfs/dbraw/zinc/00/42/90/351004290.db2.gz KXYLOMZLVBBHFY-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)(C#N)CNCCC1CCCCC1 ZINC000129205519 343176560 /nfs/dbraw/zinc/17/65/60/343176560.db2.gz DLQBYFCJJARIGW-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccc(C)o1 ZINC000129343803 384997516 /nfs/dbraw/zinc/99/75/16/384997516.db2.gz GJRXXWNPJNTWPV-LLVKDONJSA-N 0 3 225.357 3.158 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccc(C)o1 ZINC000129344026 353314268 /nfs/dbraw/zinc/31/42/68/353314268.db2.gz GJRXXWNPJNTWPV-NSHDSACASA-N 0 3 225.357 3.158 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccc(F)cc1 ZINC000129357505 388833579 /nfs/dbraw/zinc/83/35/79/388833579.db2.gz VQPVGSDUHHDWGN-NSHDSACASA-N 0 3 239.359 3.396 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1 ZINC000129357698 388833767 /nfs/dbraw/zinc/83/37/67/388833767.db2.gz VQPVGSDUHHDWGN-LLVKDONJSA-N 0 3 239.359 3.396 20 30 BGEDHN C=C(Br)CNC(CCC)CCC ZINC000129357889 591283491 /nfs/dbraw/zinc/28/34/91/591283491.db2.gz YTNUZTBIRBYCOB-UHFFFAOYSA-N 0 3 234.181 3.453 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccc(CC)o1 ZINC000129361697 323008562 /nfs/dbraw/zinc/00/85/62/323008562.db2.gz ZBCMFZVBWLSFCQ-LLVKDONJSA-N 0 3 239.384 3.412 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccc(CC)o1 ZINC000129361908 398128283 /nfs/dbraw/zinc/12/82/83/398128283.db2.gz ZBCMFZVBWLSFCQ-NSHDSACASA-N 0 3 239.384 3.412 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccccc1F ZINC000129365572 324940613 /nfs/dbraw/zinc/94/06/13/324940613.db2.gz GFDLINZGHRFWLO-NSHDSACASA-N 0 3 239.359 3.396 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccccc1F ZINC000129365784 324940845 /nfs/dbraw/zinc/94/08/45/324940845.db2.gz GFDLINZGHRFWLO-LLVKDONJSA-N 0 3 239.359 3.396 20 30 BGEDHN C=CCSCCN[C@@H](C)c1cccc(F)c1 ZINC000129374330 323174608 /nfs/dbraw/zinc/17/46/08/323174608.db2.gz WRTKAKKJVVPBHB-NSHDSACASA-N 0 3 239.359 3.396 20 30 BGEDHN C=CCSCCN[C@H](C)c1cccc(F)c1 ZINC000129374539 324941872 /nfs/dbraw/zinc/94/18/72/324941872.db2.gz WRTKAKKJVVPBHB-LLVKDONJSA-N 0 3 239.359 3.396 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccsc1 ZINC000129374783 344212996 /nfs/dbraw/zinc/21/29/96/344212996.db2.gz PKWPGMJRXJUCRB-JTQLQIEISA-N 0 3 227.398 3.318 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccsc1 ZINC000129374998 344213083 /nfs/dbraw/zinc/21/30/83/344213083.db2.gz PKWPGMJRXJUCRB-SNVBAGLBSA-N 0 3 227.398 3.318 20 30 BGEDHN C=CCSCCN[C@H](C)c1cnc(C)s1 ZINC000129378610 352098122 /nfs/dbraw/zinc/09/81/22/352098122.db2.gz KHGVLFAZITZJOK-SECBINFHSA-N 0 3 242.413 3.021 20 30 BGEDHN C=CCSCCN[C@@H](C)c1cnc(C)s1 ZINC000129378806 352103900 /nfs/dbraw/zinc/10/39/00/352103900.db2.gz KHGVLFAZITZJOK-VIFPVBQESA-N 0 3 242.413 3.021 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000129629347 344214847 /nfs/dbraw/zinc/21/48/47/344214847.db2.gz HDZIJRCTNGXFKN-UWVGGRQHSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000129629554 344215010 /nfs/dbraw/zinc/21/50/10/344215010.db2.gz HDZIJRCTNGXFKN-ZJUUUORDSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000129629734 344215108 /nfs/dbraw/zinc/21/51/08/344215108.db2.gz HDZIJRCTNGXFKN-VHSXEESVSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1cccnc1Cl ZINC000129629936 344215205 /nfs/dbraw/zinc/21/52/05/344215205.db2.gz HDZIJRCTNGXFKN-NXEZZACHSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccc(CC)o1 ZINC000129635041 344214814 /nfs/dbraw/zinc/21/48/14/344214814.db2.gz OBXJMTZZTJTGJD-WDEREUQCSA-N 0 3 207.317 3.457 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(CC)o1 ZINC000129635257 344215259 /nfs/dbraw/zinc/21/52/59/344215259.db2.gz OBXJMTZZTJTGJD-QWRGUYRKSA-N 0 3 207.317 3.457 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(CC)o1 ZINC000129635469 344215197 /nfs/dbraw/zinc/21/51/97/344215197.db2.gz OBXJMTZZTJTGJD-GHMZBOCLSA-N 0 3 207.317 3.457 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(CC)o1 ZINC000129635678 344215086 /nfs/dbraw/zinc/21/50/86/344215086.db2.gz OBXJMTZZTJTGJD-MNOVXSKESA-N 0 3 207.317 3.457 20 30 BGEDHN C=C(Cl)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000129759067 591394067 /nfs/dbraw/zinc/39/40/67/591394067.db2.gz SAQVVPBSFMWWAZ-AWEZNQCLSA-N 0 3 235.758 3.350 20 30 BGEDHN C=C(Cl)CN[C@H](Cc1ccccc1)C1CC1 ZINC000129759299 591393814 /nfs/dbraw/zinc/39/38/14/591393814.db2.gz SAQVVPBSFMWWAZ-CQSZACIVSA-N 0 3 235.758 3.350 20 30 BGEDHN CC(C)CCN(Cc1ccc(C#N)o1)C1CC1 ZINC000129826967 387017534 /nfs/dbraw/zinc/01/75/34/387017534.db2.gz HONBQDDXUHTXJV-UHFFFAOYSA-N 0 3 232.327 3.162 20 30 BGEDHN C=C(Br)CNCC1CCCCCC1 ZINC000129922876 591411859 /nfs/dbraw/zinc/41/18/59/591411859.db2.gz CVQSLDYYOCKWMA-UHFFFAOYSA-N 0 3 246.192 3.455 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)s1)C1CCC1 ZINC000130040399 535090274 /nfs/dbraw/zinc/09/02/74/535090274.db2.gz KKBHIGNNWVJAHJ-UHFFFAOYSA-N 0 3 234.368 3.383 20 30 BGEDHN C=C[C@H](C)NCc1ccc(Cl)cc1C ZINC000130126167 325016578 /nfs/dbraw/zinc/01/65/78/325016578.db2.gz BOYGIMFDMFJPPS-JTQLQIEISA-N 0 3 209.720 3.313 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Cl)cc1C ZINC000130126377 325016376 /nfs/dbraw/zinc/01/63/76/325016376.db2.gz BOYGIMFDMFJPPS-SNVBAGLBSA-N 0 3 209.720 3.313 20 30 BGEDHN N#Cc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000130214721 358957623 /nfs/dbraw/zinc/95/76/23/358957623.db2.gz JPBHETDJUZRWDR-UHFFFAOYSA-N 0 3 230.311 3.058 20 30 BGEDHN C=C(C)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130334144 353343641 /nfs/dbraw/zinc/34/36/41/353343641.db2.gz BJHQFKNSWFJEJX-UHFFFAOYSA-N 0 3 246.310 3.135 20 30 BGEDHN CCCN(CCC)Cc1cc(C#N)ccc1OC ZINC000130385979 359715037 /nfs/dbraw/zinc/71/50/37/359715037.db2.gz VHLCBRZDGBQMPR-UHFFFAOYSA-N 0 3 246.354 3.189 20 30 BGEDHN CCCCN(CC)Cc1cc(C#N)ccc1OC ZINC000130387651 359715923 /nfs/dbraw/zinc/71/59/23/359715923.db2.gz QJFDLIMHWWLWSF-UHFFFAOYSA-N 0 3 246.354 3.189 20 30 BGEDHN CCCN(Cc1cc(C#N)ccc1OC)C(C)C ZINC000130397408 359742823 /nfs/dbraw/zinc/74/28/23/359742823.db2.gz MPEYWPHXBAZFOL-UHFFFAOYSA-N 0 3 246.354 3.187 20 30 BGEDHN CCN(Cc1cc(C#N)ccc1OC)CC(C)C ZINC000130398844 358623150 /nfs/dbraw/zinc/62/31/50/358623150.db2.gz BQVXJORDDBFZER-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1cc(C#N)ccc1OC ZINC000130399085 359745726 /nfs/dbraw/zinc/74/57/26/359745726.db2.gz TVCAFFPOKVXKLE-GFCCVEGCSA-N 0 3 246.354 3.187 20 30 BGEDHN CC[C@H](C)N(CC)Cc1cc(C#N)ccc1OC ZINC000130399278 359750334 /nfs/dbraw/zinc/75/03/34/359750334.db2.gz TVCAFFPOKVXKLE-LBPRGKRZSA-N 0 3 246.354 3.187 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1cc(C#N)ccc1OC ZINC000130399729 398183312 /nfs/dbraw/zinc/18/33/12/398183312.db2.gz VERMVZVYZURWCU-GFCCVEGCSA-N 0 3 246.354 3.045 20 30 BGEDHN CC[C@H](C)CN(C)Cc1cc(C#N)ccc1OC ZINC000130399954 398182935 /nfs/dbraw/zinc/18/29/35/398182935.db2.gz VERMVZVYZURWCU-LBPRGKRZSA-N 0 3 246.354 3.045 20 30 BGEDHN COc1ccc(C#N)cc1CN(C)[C@H](C)C(C)C ZINC000130405357 359797619 /nfs/dbraw/zinc/79/76/19/359797619.db2.gz QHORKOHYZISBIG-GFCCVEGCSA-N 0 3 246.354 3.043 20 30 BGEDHN COc1ccc(C#N)cc1CN(C)[C@@H](C)C(C)C ZINC000130405587 358624911 /nfs/dbraw/zinc/62/49/11/358624911.db2.gz QHORKOHYZISBIG-LBPRGKRZSA-N 0 3 246.354 3.043 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000130406054 359806055 /nfs/dbraw/zinc/80/60/55/359806055.db2.gz WPNJFZSFJJPNKP-GFCCVEGCSA-N 0 3 246.354 3.187 20 30 BGEDHN CCC[C@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000130406277 359805717 /nfs/dbraw/zinc/80/57/17/359805717.db2.gz WPNJFZSFJJPNKP-LBPRGKRZSA-N 0 3 246.354 3.187 20 30 BGEDHN COc1ccc(C#N)cc1CN(C)CCC(C)C ZINC000130419887 360381594 /nfs/dbraw/zinc/38/15/94/360381594.db2.gz XTYUMFMVJRQRBB-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN C=C[C@H](C)NCc1ccc(SC)cc1 ZINC000130433026 325051624 /nfs/dbraw/zinc/05/16/24/325051624.db2.gz HGXYPUSPAHRLBO-JTQLQIEISA-N 0 3 207.342 3.073 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(SC)cc1 ZINC000130433265 325051485 /nfs/dbraw/zinc/05/14/85/325051485.db2.gz HGXYPUSPAHRLBO-SNVBAGLBSA-N 0 3 207.342 3.073 20 30 BGEDHN C=C[C@H](C)NCc1cc2ccccc2o1 ZINC000130435131 344221520 /nfs/dbraw/zinc/22/15/20/344221520.db2.gz MOJHDJUEQXIWML-JTQLQIEISA-N 0 3 201.269 3.097 20 30 BGEDHN C=C[C@@H](C)NCc1cc2ccccc2o1 ZINC000130435360 344221636 /nfs/dbraw/zinc/22/16/36/344221636.db2.gz MOJHDJUEQXIWML-SNVBAGLBSA-N 0 3 201.269 3.097 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000130436978 322962819 /nfs/dbraw/zinc/96/28/19/322962819.db2.gz WNUSKXNWMYYODN-LBPRGKRZSA-N 0 3 203.329 3.474 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000130437209 325051884 /nfs/dbraw/zinc/05/18/84/325051884.db2.gz WNUSKXNWMYYODN-GFCCVEGCSA-N 0 3 203.329 3.474 20 30 BGEDHN C=C[C@H](C)NCc1cccc(OCCC)c1 ZINC000130437852 358625865 /nfs/dbraw/zinc/62/58/65/358625865.db2.gz RNRZNOBAWRSOPQ-LBPRGKRZSA-N 0 3 219.328 3.140 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(OCCC)c1 ZINC000130438059 353350507 /nfs/dbraw/zinc/35/05/07/353350507.db2.gz RNRZNOBAWRSOPQ-GFCCVEGCSA-N 0 3 219.328 3.140 20 30 BGEDHN C=C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC000130441070 344221488 /nfs/dbraw/zinc/22/14/88/344221488.db2.gz BWUCPJLRUWLSFP-QMMMGPOBSA-N 0 3 213.683 3.143 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC000130441296 344221576 /nfs/dbraw/zinc/22/15/76/344221576.db2.gz BWUCPJLRUWLSFP-MRVPVSSYSA-N 0 3 213.683 3.143 20 30 BGEDHN COc1ccc(C#N)cc1CN(C)CC(C)(C)C ZINC000130448066 358626864 /nfs/dbraw/zinc/62/68/64/358626864.db2.gz IKVVBSXXXLWFIC-UHFFFAOYSA-N 0 3 246.354 3.045 20 30 BGEDHN C=C[C@H](C)NCc1cccc(OC(C)C)c1 ZINC000130448851 325053360 /nfs/dbraw/zinc/05/33/60/325053360.db2.gz BYJNCWDBSJIBBI-LBPRGKRZSA-N 0 3 219.328 3.138 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(OC(C)C)c1 ZINC000130449088 325053019 /nfs/dbraw/zinc/05/30/19/325053019.db2.gz BYJNCWDBSJIBBI-GFCCVEGCSA-N 0 3 219.328 3.138 20 30 BGEDHN C=C[C@H](C)NCc1ccccc1C1CC1 ZINC000130453662 582797871 /nfs/dbraw/zinc/79/78/71/582797871.db2.gz YZNIHKIMTXJKPG-NSHDSACASA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@@H](C)NCc1ccccc1C1CC1 ZINC000130453909 582798219 /nfs/dbraw/zinc/79/82/19/582798219.db2.gz YZNIHKIMTXJKPG-LLVKDONJSA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OCCC)cc1 ZINC000130454567 582798034 /nfs/dbraw/zinc/79/80/34/582798034.db2.gz MMNRXWYRNRGHNS-LBPRGKRZSA-N 0 3 219.328 3.140 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OCCC)cc1 ZINC000130454831 582797834 /nfs/dbraw/zinc/79/78/34/582797834.db2.gz MMNRXWYRNRGHNS-GFCCVEGCSA-N 0 3 219.328 3.140 20 30 BGEDHN C=C[C@H](C)NCc1ccc(Br)cc1 ZINC000130455908 325052910 /nfs/dbraw/zinc/05/29/10/325052910.db2.gz KPBQOSJNNSVIBM-VIFPVBQESA-N 0 3 240.144 3.113 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Br)cc1 ZINC000130456139 325053285 /nfs/dbraw/zinc/05/32/85/325053285.db2.gz KPBQOSJNNSVIBM-SECBINFHSA-N 0 3 240.144 3.113 20 30 BGEDHN C=C[C@H](C)NCc1cccc(Br)c1 ZINC000130456823 325053259 /nfs/dbraw/zinc/05/32/59/325053259.db2.gz ALCYELXTBJWZEC-VIFPVBQESA-N 0 3 240.144 3.113 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(Br)c1 ZINC000130457001 325053412 /nfs/dbraw/zinc/05/34/12/325053412.db2.gz ALCYELXTBJWZEC-SECBINFHSA-N 0 3 240.144 3.113 20 30 BGEDHN C=C[C@H](C)NCc1ccc(Cl)s1 ZINC000130460711 344221380 /nfs/dbraw/zinc/22/13/80/344221380.db2.gz NQXQLMCPUJVCHX-ZETCQYMHSA-N 0 3 201.722 3.066 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Cl)s1 ZINC000130460908 344221523 /nfs/dbraw/zinc/22/15/23/344221523.db2.gz NQXQLMCPUJVCHX-SSDOTTSWSA-N 0 3 201.722 3.066 20 30 BGEDHN C=C[C@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000130462368 353349884 /nfs/dbraw/zinc/34/98/84/353349884.db2.gz MTVMJBJLSMCKQQ-VIFPVBQESA-N 0 3 224.373 3.105 20 30 BGEDHN C=C[C@@H](C)NCc1cnc(C(C)(C)C)s1 ZINC000130462618 344221748 /nfs/dbraw/zinc/22/17/48/344221748.db2.gz MTVMJBJLSMCKQQ-SECBINFHSA-N 0 3 224.373 3.105 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OC(C)C)cc1 ZINC000130468083 325054580 /nfs/dbraw/zinc/05/45/80/325054580.db2.gz MLEPFDFCENNXEE-LBPRGKRZSA-N 0 3 219.328 3.138 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OC(C)C)cc1 ZINC000130468312 325054721 /nfs/dbraw/zinc/05/47/21/325054721.db2.gz MLEPFDFCENNXEE-GFCCVEGCSA-N 0 3 219.328 3.138 20 30 BGEDHN CCC(C)(C)N(C)Cc1cc(C#N)ccc1OC ZINC000130469395 360509999 /nfs/dbraw/zinc/50/99/99/360509999.db2.gz CUPYFKIEIQTLOB-UHFFFAOYSA-N 0 3 246.354 3.187 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000130485293 325057499 /nfs/dbraw/zinc/05/74/99/325057499.db2.gz POPNRDJHVIAJQT-VIFPVBQESA-N 0 3 229.245 3.370 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C(F)(F)F)cc1 ZINC000130485503 325057348 /nfs/dbraw/zinc/05/73/48/325057348.db2.gz POPNRDJHVIAJQT-SECBINFHSA-N 0 3 229.245 3.370 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OC)c(Cl)c1 ZINC000130489153 325057162 /nfs/dbraw/zinc/05/71/62/325057162.db2.gz OWTGTBUMFKYSQS-VIFPVBQESA-N 0 3 225.719 3.013 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OC)c(Cl)c1 ZINC000130489362 325058103 /nfs/dbraw/zinc/05/81/03/325058103.db2.gz OWTGTBUMFKYSQS-SECBINFHSA-N 0 3 225.719 3.013 20 30 BGEDHN C=C[C@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000130491756 325058294 /nfs/dbraw/zinc/05/82/94/325058294.db2.gz KHSCBOJJKIKSAY-VIFPVBQESA-N 0 3 229.245 3.370 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(C(F)(F)F)c1 ZINC000130491981 325058047 /nfs/dbraw/zinc/05/80/47/325058047.db2.gz KHSCBOJJKIKSAY-SECBINFHSA-N 0 3 229.245 3.370 20 30 BGEDHN C=C[C@H](C)NCc1cc(Br)cs1 ZINC000130493526 344222129 /nfs/dbraw/zinc/22/21/29/344222129.db2.gz KXETZSFUTAGLLX-ZETCQYMHSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@@H](C)NCc1cc(Br)cs1 ZINC000130493727 344221719 /nfs/dbraw/zinc/22/17/19/344221719.db2.gz KXETZSFUTAGLLX-SSDOTTSWSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@H](C)NCc1ccc(Br)s1 ZINC000130493974 344221740 /nfs/dbraw/zinc/22/17/40/344221740.db2.gz GBBKEAAWORIITE-ZETCQYMHSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Br)s1 ZINC000130494204 344221730 /nfs/dbraw/zinc/22/17/30/344221730.db2.gz GBBKEAAWORIITE-SSDOTTSWSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@H](C)NCc1csc(Br)c1 ZINC000130502489 344221660 /nfs/dbraw/zinc/22/16/60/344221660.db2.gz PQEQBBAVEORYJK-ZETCQYMHSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@@H](C)NCc1csc(Br)c1 ZINC000130502732 344221525 /nfs/dbraw/zinc/22/15/25/344221525.db2.gz PQEQBBAVEORYJK-SSDOTTSWSA-N 0 3 246.173 3.175 20 30 BGEDHN C=C[C@H](C)NCc1cc(Cl)ccc1OC ZINC000130503401 591475632 /nfs/dbraw/zinc/47/56/32/591475632.db2.gz FFITVMYUOYAHST-VIFPVBQESA-N 0 3 225.719 3.013 20 30 BGEDHN C=C[C@@H](C)NCc1cc(Cl)ccc1OC ZINC000130503610 591476159 /nfs/dbraw/zinc/47/61/59/591476159.db2.gz FFITVMYUOYAHST-SECBINFHSA-N 0 3 225.719 3.013 20 30 BGEDHN N#CCC[C@@H](NCC1CC1)c1ccccc1 ZINC000130542806 344222674 /nfs/dbraw/zinc/22/26/74/344222674.db2.gz NCOSIWNXPFEULR-CQSZACIVSA-N 0 3 214.312 3.031 20 30 BGEDHN N#CCC[C@H](NCC1CC1)c1ccccc1 ZINC000130543040 344222828 /nfs/dbraw/zinc/22/28/28/344222828.db2.gz NCOSIWNXPFEULR-AWEZNQCLSA-N 0 3 214.312 3.031 20 30 BGEDHN C=CCC[C@H](C)NCc1cccnc1OC(C)C ZINC000130554313 490398692 /nfs/dbraw/zinc/39/86/92/490398692.db2.gz PORJSVKETVGPHK-ZDUSSCGKSA-N 0 3 248.370 3.313 20 30 BGEDHN C=CCC[C@@H](C)NCc1cccnc1OC(C)C ZINC000130554485 490398776 /nfs/dbraw/zinc/39/87/76/490398776.db2.gz PORJSVKETVGPHK-CYBMUJFWSA-N 0 3 248.370 3.313 20 30 BGEDHN C#CCCCCNc1ccnc2ccccc21 ZINC000130580450 591483997 /nfs/dbraw/zinc/48/39/97/591483997.db2.gz QPNRNUAGJFLNLR-UHFFFAOYSA-N 0 3 224.307 3.450 20 30 BGEDHN C=CCC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000130581148 353356395 /nfs/dbraw/zinc/35/63/95/353356395.db2.gz QICCVMBBXRUDHJ-NSHDSACASA-N 0 3 234.299 3.039 20 30 BGEDHN C=CCC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000130581370 353356399 /nfs/dbraw/zinc/35/63/99/353356399.db2.gz QICCVMBBXRUDHJ-LLVKDONJSA-N 0 3 234.299 3.039 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1ccc(C#N)s1 ZINC000130608525 388408255 /nfs/dbraw/zinc/40/82/55/388408255.db2.gz PKRSDCDJGAYXCF-SNVBAGLBSA-N 0 3 222.357 3.098 20 30 BGEDHN CC[C@H](C)CN(C)Cc1ccc(C#N)s1 ZINC000130608731 171274387 /nfs/dbraw/zinc/27/43/87/171274387.db2.gz PKRSDCDJGAYXCF-JTQLQIEISA-N 0 3 222.357 3.098 20 30 BGEDHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000130655780 325077042 /nfs/dbraw/zinc/07/70/42/325077042.db2.gz BSOHAHIGZRPXIC-NEPJUHHUSA-N 0 3 232.327 3.162 20 30 BGEDHN C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000130655958 325076920 /nfs/dbraw/zinc/07/69/20/325076920.db2.gz BSOHAHIGZRPXIC-RYUDHWBXSA-N 0 3 232.327 3.162 20 30 BGEDHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000130656152 325076763 /nfs/dbraw/zinc/07/67/63/325076763.db2.gz BSOHAHIGZRPXIC-VXGBXAGGSA-N 0 3 232.327 3.162 20 30 BGEDHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000130656356 325076884 /nfs/dbraw/zinc/07/68/84/325076884.db2.gz BSOHAHIGZRPXIC-NWDGAFQWSA-N 0 3 232.327 3.162 20 30 BGEDHN C=CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000130665492 591496054 /nfs/dbraw/zinc/49/60/54/591496054.db2.gz MCNRRQVHZMIQDY-CYBMUJFWSA-N 0 3 229.323 3.209 20 30 BGEDHN C=CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000130665732 591496759 /nfs/dbraw/zinc/49/67/59/591496759.db2.gz MCNRRQVHZMIQDY-ZDUSSCGKSA-N 0 3 229.323 3.209 20 30 BGEDHN C#CCCCCN[C@@H](C)c1cc(F)ccc1F ZINC000130696610 353357445 /nfs/dbraw/zinc/35/74/45/353357445.db2.gz JTYYPTMJEZIABV-NSHDSACASA-N 0 3 237.293 3.419 20 30 BGEDHN C#CCCCCN[C@H](C)c1cc(F)ccc1F ZINC000130696826 353357517 /nfs/dbraw/zinc/35/75/17/353357517.db2.gz JTYYPTMJEZIABV-LLVKDONJSA-N 0 3 237.293 3.419 20 30 BGEDHN CC(C)CCN(C)Cc1ccc(C#N)s1 ZINC000130723148 368138026 /nfs/dbraw/zinc/13/80/26/368138026.db2.gz OMNADRIDXDIEFP-UHFFFAOYSA-N 0 3 222.357 3.098 20 30 BGEDHN C#CCCCCN[C@H](C)c1nc(C)sc1C ZINC000130741111 591514300 /nfs/dbraw/zinc/51/43/00/591514300.db2.gz JWJPRTWQSNMKQP-SNVBAGLBSA-N 0 3 236.384 3.214 20 30 BGEDHN C#CCCCCN[C@@H](C)c1nc(C)sc1C ZINC000130741345 591513831 /nfs/dbraw/zinc/51/38/31/591513831.db2.gz JWJPRTWQSNMKQP-JTQLQIEISA-N 0 3 236.384 3.214 20 30 BGEDHN C=CCCCCCN(C)Cc1ccncc1 ZINC000130764196 353360379 /nfs/dbraw/zinc/36/03/79/353360379.db2.gz NSPZAMSNLPXUES-UHFFFAOYSA-N 0 3 218.344 3.260 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(F)cc1F ZINC000130781582 533033378 /nfs/dbraw/zinc/03/33/78/533033378.db2.gz RUBWPCYBDWLQQZ-NSHDSACASA-N 0 3 237.293 3.419 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(F)cc1F ZINC000130781794 353360274 /nfs/dbraw/zinc/36/02/74/353360274.db2.gz RUBWPCYBDWLQQZ-LLVKDONJSA-N 0 3 237.293 3.419 20 30 BGEDHN C=C(C)CN1CCC[C@@H]1c1ccc(COC)o1 ZINC000130796633 353366198 /nfs/dbraw/zinc/36/61/98/353366198.db2.gz OUIQHSROELGJJQ-CYBMUJFWSA-N 0 3 235.327 3.139 20 30 BGEDHN C=C(C)CN1CCC[C@H]1c1ccc(COC)o1 ZINC000130796821 385286493 /nfs/dbraw/zinc/28/64/93/385286493.db2.gz OUIQHSROELGJJQ-ZDUSSCGKSA-N 0 3 235.327 3.139 20 30 BGEDHN C[C@H](NCCCCC#N)c1ccc(F)cc1F ZINC000131024077 385301151 /nfs/dbraw/zinc/30/11/51/385301151.db2.gz XXTCBSCHDYLYTH-JTQLQIEISA-N 0 3 238.281 3.309 20 30 BGEDHN C[C@@H](NCCCCC#N)c1ccc(F)cc1F ZINC000131024286 385302547 /nfs/dbraw/zinc/30/25/47/385302547.db2.gz XXTCBSCHDYLYTH-SNVBAGLBSA-N 0 3 238.281 3.309 20 30 BGEDHN CC(C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000131120848 323012529 /nfs/dbraw/zinc/01/25/29/323012529.db2.gz WVWCENVCQYESNS-UHFFFAOYSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000131345253 325138263 /nfs/dbraw/zinc/13/82/63/325138263.db2.gz ZFLHELHXDALSBK-OAHLLOKOSA-N 0 3 242.366 3.426 20 30 BGEDHN CC(C)(C)[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000131345423 325138538 /nfs/dbraw/zinc/13/85/38/325138538.db2.gz ZFLHELHXDALSBK-HNNXBMFYSA-N 0 3 242.366 3.426 20 30 BGEDHN C=C(C)COCCNCc1cccc(Cl)c1 ZINC000131380114 386203420 /nfs/dbraw/zinc/20/34/20/386203420.db2.gz ZCOCMASBRBZKND-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=C(C)COCCNCc1cc(C)sc1C ZINC000131381210 325144607 /nfs/dbraw/zinc/14/46/07/325144607.db2.gz YHBSTIMZYKSGSH-UHFFFAOYSA-N 0 3 239.384 3.047 20 30 BGEDHN C=C(C)COCCNCc1ccc(Cl)s1 ZINC000131386584 191011944 /nfs/dbraw/zinc/01/19/44/191011944.db2.gz BOLJUHHKJHAFSA-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=C(C)COCCNCc1ccccc1Cl ZINC000131392457 191011917 /nfs/dbraw/zinc/01/19/17/191011917.db2.gz YFEYFFZHIHBFST-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=C(C)COCCNCc1ccc(Cl)cc1 ZINC000131393548 386205106 /nfs/dbraw/zinc/20/51/06/386205106.db2.gz KZAYPJXNNJKMNH-UHFFFAOYSA-N 0 3 239.746 3.022 20 30 BGEDHN C=CCCN1CCC[C@H]1c1ccc(COC)o1 ZINC000131442045 353367636 /nfs/dbraw/zinc/36/76/36/353367636.db2.gz RCEOUXWPECYYBQ-ZDUSSCGKSA-N 0 3 235.327 3.139 20 30 BGEDHN C=CCCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000131442276 353366598 /nfs/dbraw/zinc/36/65/98/353366598.db2.gz RCEOUXWPECYYBQ-CYBMUJFWSA-N 0 3 235.327 3.139 20 30 BGEDHN CC#CCN[C@@H](CC(C)C)c1cccs1 ZINC000131588496 191016117 /nfs/dbraw/zinc/01/61/17/191016117.db2.gz DZASQXBPUJGVKE-LBPRGKRZSA-N 0 3 221.369 3.448 20 30 BGEDHN CC#CCN[C@H](CC(C)C)c1cccs1 ZINC000131588705 191016012 /nfs/dbraw/zinc/01/60/12/191016012.db2.gz DZASQXBPUJGVKE-GFCCVEGCSA-N 0 3 221.369 3.448 20 30 BGEDHN CC#CCN[C@@H](CC)c1ccc(Cl)s1 ZINC000131590605 192082943 /nfs/dbraw/zinc/08/29/43/192082943.db2.gz JZXZCHPJZWCZBU-VIFPVBQESA-N 0 3 227.760 3.466 20 30 BGEDHN CC#CCN[C@H](CC)c1ccc(Cl)s1 ZINC000131590798 386210558 /nfs/dbraw/zinc/21/05/58/386210558.db2.gz JZXZCHPJZWCZBU-SECBINFHSA-N 0 3 227.760 3.466 20 30 BGEDHN C=CCC[C@H](NCC#CC)c1ccccc1 ZINC000131613453 358686702 /nfs/dbraw/zinc/68/67/02/358686702.db2.gz CIWYYKXRHQTUOV-HNNXBMFYSA-N 0 3 213.324 3.307 20 30 BGEDHN C=CCC[C@@H](NCC#CC)c1ccccc1 ZINC000131613658 358687047 /nfs/dbraw/zinc/68/70/47/358687047.db2.gz CIWYYKXRHQTUOV-OAHLLOKOSA-N 0 3 213.324 3.307 20 30 BGEDHN CC#CCN[C@H](C)c1ccc(SCC)cc1 ZINC000131613892 191016577 /nfs/dbraw/zinc/01/65/77/191016577.db2.gz CJYUSXMYOJBEFX-GFCCVEGCSA-N 0 3 233.380 3.473 20 30 BGEDHN CC#CCN[C@@H](C)c1ccc(SCC)cc1 ZINC000131614109 386208536 /nfs/dbraw/zinc/20/85/36/386208536.db2.gz CJYUSXMYOJBEFX-LBPRGKRZSA-N 0 3 233.380 3.473 20 30 BGEDHN C#CCSCCNc1ccnc2ccccc21 ZINC000131776253 591655229 /nfs/dbraw/zinc/65/52/29/591655229.db2.gz LWOVPWZQIQQITP-UHFFFAOYSA-N 0 3 242.347 3.013 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(OC)nc1 ZINC000131854411 325187772 /nfs/dbraw/zinc/18/77/72/325187772.db2.gz UDIDFLLAYQMZNL-UHFFFAOYSA-N 0 3 248.370 3.268 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cscn1 ZINC000131925281 383898554 /nfs/dbraw/zinc/89/85/54/383898554.db2.gz OWNZLQVRUIGIKZ-NSHDSACASA-N 0 3 224.373 3.368 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cscn1 ZINC000131925462 344239780 /nfs/dbraw/zinc/23/97/80/344239780.db2.gz OWNZLQVRUIGIKZ-LLVKDONJSA-N 0 3 224.373 3.368 20 30 BGEDHN CC#CCN[C@@H](c1ccccc1C)C(C)C ZINC000131973956 386216314 /nfs/dbraw/zinc/21/63/14/386216314.db2.gz NGCVUVGKVWMVQT-OAHLLOKOSA-N 0 3 215.340 3.305 20 30 BGEDHN CC#CCN[C@H](c1ccccc1C)C(C)C ZINC000131974177 191019545 /nfs/dbraw/zinc/01/95/45/191019545.db2.gz NGCVUVGKVWMVQT-HNNXBMFYSA-N 0 3 215.340 3.305 20 30 BGEDHN CC#CCN[C@@H](c1ccccc1C)C1CC1 ZINC000131975289 191019970 /nfs/dbraw/zinc/01/99/70/191019970.db2.gz VCIAAILTTZWXFW-OAHLLOKOSA-N 0 3 213.324 3.059 20 30 BGEDHN CC#CCN[C@H](c1ccccc1C)C1CC1 ZINC000131975498 386217163 /nfs/dbraw/zinc/21/71/63/386217163.db2.gz VCIAAILTTZWXFW-HNNXBMFYSA-N 0 3 213.324 3.059 20 30 BGEDHN Cc1ccc([C@@H](C)NCCCC#N)c(C)c1 ZINC000132057295 345314721 /nfs/dbraw/zinc/31/47/21/345314721.db2.gz MHVBFWVQMJUEEN-CYBMUJFWSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1ccc([C@H](C)NCCCC#N)c(C)c1 ZINC000132057524 345314826 /nfs/dbraw/zinc/31/48/26/345314826.db2.gz MHVBFWVQMJUEEN-ZDUSSCGKSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1ccc([C@@H](C)NCCCC#N)cc1C ZINC000132057749 345314562 /nfs/dbraw/zinc/31/45/62/345314562.db2.gz KYZYDVWEXNAMHQ-CYBMUJFWSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1ccc([C@H](C)NCCCC#N)cc1C ZINC000132057964 345314521 /nfs/dbraw/zinc/31/45/21/345314521.db2.gz KYZYDVWEXNAMHQ-ZDUSSCGKSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1cc(C)cc([C@@H](C)NCCCC#N)c1 ZINC000132163204 191102624 /nfs/dbraw/zinc/10/26/24/191102624.db2.gz ZSXDREHCZUBVLS-CYBMUJFWSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1cc(C)cc([C@H](C)NCCCC#N)c1 ZINC000132163431 191026031 /nfs/dbraw/zinc/02/60/31/191026031.db2.gz ZSXDREHCZUBVLS-ZDUSSCGKSA-N 0 3 216.328 3.258 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000132239740 534669652 /nfs/dbraw/zinc/66/96/52/534669652.db2.gz VUHPSXCTMOLPCD-IINYFYTJSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2cc(F)ccc21 ZINC000132239980 358714055 /nfs/dbraw/zinc/71/40/55/358714055.db2.gz VUHPSXCTMOLPCD-QMTHXVAHSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000132240178 358713464 /nfs/dbraw/zinc/71/34/64/358713464.db2.gz VUHPSXCTMOLPCD-HZMBPMFUSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2cc(F)ccc21 ZINC000132240385 358714006 /nfs/dbraw/zinc/71/40/06/358714006.db2.gz VUHPSXCTMOLPCD-YGRLFVJLSA-N 0 3 219.303 3.367 20 30 BGEDHN C[C@@H](CC#N)N(C)CC1CCCCCC1 ZINC000132263302 358713815 /nfs/dbraw/zinc/71/38/15/358713815.db2.gz YIKBXPAAOVSHOS-LBPRGKRZSA-N 0 3 208.349 3.191 20 30 BGEDHN C[C@H](CC#N)N(C)CC1CCCCCC1 ZINC000132263458 358713947 /nfs/dbraw/zinc/71/39/47/358713947.db2.gz YIKBXPAAOVSHOS-GFCCVEGCSA-N 0 3 208.349 3.191 20 30 BGEDHN C=CCCN(C)Cc1ccccc1Cl ZINC000132343314 358719139 /nfs/dbraw/zinc/71/91/39/358719139.db2.gz AQYCYXQKSCPQJF-UHFFFAOYSA-N 0 3 209.720 3.348 20 30 BGEDHN C=CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000132360112 191030022 /nfs/dbraw/zinc/03/00/22/191030022.db2.gz AGDDPIPWNWULFO-INIZCTEOSA-N 0 3 238.334 3.337 20 30 BGEDHN C=CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000132360321 191030634 /nfs/dbraw/zinc/03/06/34/191030634.db2.gz AGDDPIPWNWULFO-MRXNPFEDSA-N 0 3 238.334 3.337 20 30 BGEDHN C=CCC[C@@H](O)CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000132361436 166298361 /nfs/dbraw/zinc/29/83/61/166298361.db2.gz YWBMPYGIXWXWKU-BMFZPTHFSA-N 0 3 245.366 3.007 20 30 BGEDHN C=CCC[C@@H](O)CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000132361640 166297157 /nfs/dbraw/zinc/29/71/57/166297157.db2.gz YWBMPYGIXWXWKU-IMJJTQAJSA-N 0 3 245.366 3.007 20 30 BGEDHN C=CCCN(C)Cc1ccc(Cl)s1 ZINC000132366865 344297705 /nfs/dbraw/zinc/29/77/05/344297705.db2.gz VMQNZUXINVQUJE-UHFFFAOYSA-N 0 3 215.749 3.409 20 30 BGEDHN C=CCCN(CC=C)Cc1cccs1 ZINC000132377940 325213102 /nfs/dbraw/zinc/21/31/02/325213102.db2.gz AXVJVBBASKQROM-UHFFFAOYSA-N 0 3 207.342 3.312 20 30 BGEDHN C=CCCN(Cc1ccccc1F)C1CC1 ZINC000132383978 358720136 /nfs/dbraw/zinc/72/01/36/358720136.db2.gz ALUGTEKJZSWZIR-UHFFFAOYSA-N 0 3 219.303 3.366 20 30 BGEDHN Cc1cccc([C@@H](C)NCCCC#N)c1C ZINC000132385828 191032361 /nfs/dbraw/zinc/03/23/61/191032361.db2.gz GJYGLPYWAXYAKG-CYBMUJFWSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1cccc([C@H](C)NCCCC#N)c1C ZINC000132386058 191031716 /nfs/dbraw/zinc/03/17/16/191031716.db2.gz GJYGLPYWAXYAKG-ZDUSSCGKSA-N 0 3 216.328 3.258 20 30 BGEDHN Cc1cc([C@@H](C)NCCCC#N)ccc1F ZINC000132399252 384228183 /nfs/dbraw/zinc/22/81/83/384228183.db2.gz DPWYHORQYQKXQG-LLVKDONJSA-N 0 3 220.291 3.089 20 30 BGEDHN C=CCCN(C)Cc1cc(Cl)ccc1OC ZINC000132399394 353380688 /nfs/dbraw/zinc/38/06/88/353380688.db2.gz NKJOGHQQVICLFH-UHFFFAOYSA-N 0 3 239.746 3.357 20 30 BGEDHN Cc1cc([C@H](C)NCCCC#N)ccc1F ZINC000132399466 345329778 /nfs/dbraw/zinc/32/97/78/345329778.db2.gz DPWYHORQYQKXQG-NSHDSACASA-N 0 3 220.291 3.089 20 30 BGEDHN Fc1ccc(C#CCN2CCCCCC2)cc1 ZINC000132431388 325216460 /nfs/dbraw/zinc/21/64/60/325216460.db2.gz QHMFSOBYAXPJDK-UHFFFAOYSA-N 0 3 231.314 3.053 20 30 BGEDHN C=CCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000132433044 353379832 /nfs/dbraw/zinc/37/98/32/353379832.db2.gz YVHKZIDGNUIOBG-UHFFFAOYSA-N 0 3 243.350 3.157 20 30 BGEDHN C=CCCN(Cc1cccs1)C1CC1 ZINC000132469300 353379719 /nfs/dbraw/zinc/37/97/19/353379719.db2.gz UOLNFVFTRZNZRQ-UHFFFAOYSA-N 0 3 207.342 3.289 20 30 BGEDHN C=CCCCN(C)Cc1cn2cc(C)ccc2n1 ZINC000132514758 345332992 /nfs/dbraw/zinc/33/29/92/345332992.db2.gz YHYQGGVFPZPJJY-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=CCCN(C)Cc1ccc(Br)o1 ZINC000132529299 344303616 /nfs/dbraw/zinc/30/36/16/344303616.db2.gz AJGLFDWOJZXRII-UHFFFAOYSA-N 0 3 244.132 3.050 20 30 BGEDHN C=CCCN(C)[C@@H](C)c1ccccc1F ZINC000132565656 358728430 /nfs/dbraw/zinc/72/84/30/358728430.db2.gz HXZZQLQXIJQBRW-NSHDSACASA-N 0 3 207.292 3.395 20 30 BGEDHN C=CCCN(C)[C@H](C)c1ccccc1F ZINC000132565865 358728131 /nfs/dbraw/zinc/72/81/31/358728131.db2.gz HXZZQLQXIJQBRW-LLVKDONJSA-N 0 3 207.292 3.395 20 30 BGEDHN C=CCCN(Cc1ccccc1OC)C1CC1 ZINC000132575695 534774992 /nfs/dbraw/zinc/77/49/92/534774992.db2.gz XUCIMIHAKPPEOP-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN CCCCCCCN(C)Cc1cccnc1 ZINC000132616715 591724166 /nfs/dbraw/zinc/72/41/66/591724166.db2.gz HCMBQGVFNRJPQQ-UHFFFAOYSA-N 0 3 220.360 3.484 20 30 BGEDHN C=CCCN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000132639211 371880493 /nfs/dbraw/zinc/88/04/93/371880493.db2.gz ZEZCHQBIZMHESL-UHFFFAOYSA-N 0 3 246.310 3.159 20 30 BGEDHN C=CCCN(CC=C)Cc1cccc(C#N)c1 ZINC000132639641 353384043 /nfs/dbraw/zinc/38/40/43/353384043.db2.gz XLHNZVNGKVUFII-UHFFFAOYSA-N 0 3 226.323 3.122 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673496 591727889 /nfs/dbraw/zinc/72/78/89/591727889.db2.gz JJPOWSRSLHOXSD-STQMWFEESA-N 0 3 241.338 3.097 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673714 591727848 /nfs/dbraw/zinc/72/78/48/591727848.db2.gz JJPOWSRSLHOXSD-OLZOCXBDSA-N 0 3 241.338 3.097 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673922 591728161 /nfs/dbraw/zinc/72/81/61/591728161.db2.gz JJPOWSRSLHOXSD-QWHCGFSZSA-N 0 3 241.338 3.097 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000132674142 591728220 /nfs/dbraw/zinc/72/82/20/591728220.db2.gz JJPOWSRSLHOXSD-CHWSQXEVSA-N 0 3 241.338 3.097 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675292 353384033 /nfs/dbraw/zinc/38/40/33/353384033.db2.gz HJFBHYFVDZHDRU-AAEUAGOBSA-N 0 3 249.354 3.319 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675516 353383660 /nfs/dbraw/zinc/38/36/60/353383660.db2.gz HJFBHYFVDZHDRU-WCQYABFASA-N 0 3 249.354 3.319 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675723 358733028 /nfs/dbraw/zinc/73/30/28/358733028.db2.gz HJFBHYFVDZHDRU-YPMHNXCESA-N 0 3 249.354 3.319 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675933 353383832 /nfs/dbraw/zinc/38/38/32/353383832.db2.gz HJFBHYFVDZHDRU-DGCLKSJQSA-N 0 3 249.354 3.319 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677013 358732498 /nfs/dbraw/zinc/73/24/98/358732498.db2.gz INOYGIQIGJLGRY-RYUDHWBXSA-N 0 3 247.338 3.073 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677214 358732510 /nfs/dbraw/zinc/73/25/10/358732510.db2.gz INOYGIQIGJLGRY-NEPJUHHUSA-N 0 3 247.338 3.073 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677425 353383207 /nfs/dbraw/zinc/38/32/07/353383207.db2.gz INOYGIQIGJLGRY-NWDGAFQWSA-N 0 3 247.338 3.073 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677648 358732871 /nfs/dbraw/zinc/73/28/71/358732871.db2.gz INOYGIQIGJLGRY-VXGBXAGGSA-N 0 3 247.338 3.073 20 30 BGEDHN C#CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000132683268 591730956 /nfs/dbraw/zinc/73/09/56/591730956.db2.gz KJDNOLIIXGWDMB-HNNXBMFYSA-N 0 3 213.324 3.141 20 30 BGEDHN C#CCN[C@H](CC1CCC1)c1ccccc1 ZINC000132683474 591731223 /nfs/dbraw/zinc/73/12/23/591731223.db2.gz KJDNOLIIXGWDMB-OAHLLOKOSA-N 0 3 213.324 3.141 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc(OC)cc21 ZINC000132684072 358732644 /nfs/dbraw/zinc/73/26/44/358732644.db2.gz LDPIQKFEYVSSON-XHDPSFHLSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc(OC)cc21 ZINC000132684264 358732897 /nfs/dbraw/zinc/73/28/97/358732897.db2.gz LDPIQKFEYVSSON-IAQYHMDHSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2ccc(OC)cc21 ZINC000132684492 358732881 /nfs/dbraw/zinc/73/28/81/358732881.db2.gz LDPIQKFEYVSSON-NHYWBVRUSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc(OC)cc21 ZINC000132684730 358732599 /nfs/dbraw/zinc/73/25/99/358732599.db2.gz LDPIQKFEYVSSON-ABAIWWIYSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132684960 358732653 /nfs/dbraw/zinc/73/26/53/358732653.db2.gz SUHJPLXNXBYYPV-GWCFXTLKSA-N 0 3 234.299 3.210 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685157 358732957 /nfs/dbraw/zinc/73/29/57/358732957.db2.gz SUHJPLXNXBYYPV-GXFFZTMASA-N 0 3 234.299 3.210 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685382 358733060 /nfs/dbraw/zinc/73/30/60/358733060.db2.gz SUHJPLXNXBYYPV-MFKMUULPSA-N 0 3 234.299 3.210 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685557 358732995 /nfs/dbraw/zinc/73/29/95/358732995.db2.gz SUHJPLXNXBYYPV-ZWNOBZJWSA-N 0 3 234.299 3.210 20 30 BGEDHN C=CCC[N@H+](CCC)Cc1ccccc1[O-] ZINC000132726738 353383924 /nfs/dbraw/zinc/38/39/24/353383924.db2.gz WNOHHSWZFXQEQA-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN C=CCC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000132726738 353383921 /nfs/dbraw/zinc/38/39/21/353383921.db2.gz WNOHHSWZFXQEQA-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN CC(C)(C#N)CCCN1CCc2ccsc2C1 ZINC000132739784 345341818 /nfs/dbraw/zinc/34/18/18/345341818.db2.gz KZQCKKZQMVZTSX-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000132829201 353389582 /nfs/dbraw/zinc/38/95/82/353389582.db2.gz XNCSKJWFCLJOCE-IINYFYTJSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc(F)cc21 ZINC000132829389 353389129 /nfs/dbraw/zinc/38/91/29/353389129.db2.gz XNCSKJWFCLJOCE-QMTHXVAHSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000132829622 358736923 /nfs/dbraw/zinc/73/69/23/358736923.db2.gz XNCSKJWFCLJOCE-HZMBPMFUSA-N 0 3 219.303 3.367 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc(F)cc21 ZINC000132829847 358737290 /nfs/dbraw/zinc/73/72/90/358737290.db2.gz XNCSKJWFCLJOCE-YGRLFVJLSA-N 0 3 219.303 3.367 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)C(C)(C)C ZINC000132849416 591743182 /nfs/dbraw/zinc/74/31/82/591743182.db2.gz PPZUDPVRWRIOHJ-UHFFFAOYSA-N 0 3 219.303 3.059 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000132867680 591742827 /nfs/dbraw/zinc/74/28/27/591742827.db2.gz GGMHZUKPVGEZDV-NEPJUHHUSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@H](OCC)C1(CC)CC ZINC000132867873 591743344 /nfs/dbraw/zinc/74/33/44/591743344.db2.gz GGMHZUKPVGEZDV-RYUDHWBXSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000132868090 591744883 /nfs/dbraw/zinc/74/48/83/591744883.db2.gz GGMHZUKPVGEZDV-VXGBXAGGSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000132868266 591744378 /nfs/dbraw/zinc/74/43/78/591744378.db2.gz GGMHZUKPVGEZDV-NWDGAFQWSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@@H](OCCCC)C1(C)C ZINC000132869285 583579890 /nfs/dbraw/zinc/57/98/90/583579890.db2.gz BOKHKWRRRNAEDC-NWDGAFQWSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@H](OCCCC)C1(C)C ZINC000132869500 591744484 /nfs/dbraw/zinc/74/44/84/591744484.db2.gz BOKHKWRRRNAEDC-RYUDHWBXSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000132869718 591744278 /nfs/dbraw/zinc/74/42/78/591744278.db2.gz BOKHKWRRRNAEDC-VXGBXAGGSA-N 0 3 245.794 3.312 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@H](OCCCC)C1(C)C ZINC000132869921 591744140 /nfs/dbraw/zinc/74/41/40/591744140.db2.gz BOKHKWRRRNAEDC-NEPJUHHUSA-N 0 3 245.794 3.312 20 30 BGEDHN C=CCCN(C)[C@H](C)c1sc(C)nc1C ZINC000133002756 353396851 /nfs/dbraw/zinc/39/68/51/353396851.db2.gz TUNNRPKOVVNGQC-SNVBAGLBSA-N 0 3 224.373 3.329 20 30 BGEDHN C=CCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000133002916 353396906 /nfs/dbraw/zinc/39/69/06/353396906.db2.gz TUNNRPKOVVNGQC-JTQLQIEISA-N 0 3 224.373 3.329 20 30 BGEDHN CCC[C@@H](Cc1ccccc1)NC[C@@H](C)C#N ZINC000133033287 325261471 /nfs/dbraw/zinc/26/14/71/325261471.db2.gz MKLCLBGBEDQUHL-ZFWWWQNUSA-N 0 3 230.355 3.147 20 30 BGEDHN CCC[C@H](Cc1ccccc1)NC[C@@H](C)C#N ZINC000133033539 325261917 /nfs/dbraw/zinc/26/19/17/325261917.db2.gz MKLCLBGBEDQUHL-DZGCQCFKSA-N 0 3 230.355 3.147 20 30 BGEDHN CCC[C@@H](Cc1ccccc1)NC[C@H](C)C#N ZINC000133033745 325261576 /nfs/dbraw/zinc/26/15/76/325261576.db2.gz MKLCLBGBEDQUHL-HIFRSBDPSA-N 0 3 230.355 3.147 20 30 BGEDHN CCC[C@H](Cc1ccccc1)NC[C@H](C)C#N ZINC000133033965 325261721 /nfs/dbraw/zinc/26/17/21/325261721.db2.gz MKLCLBGBEDQUHL-UKRRQHHQSA-N 0 3 230.355 3.147 20 30 BGEDHN CC[C@@H](Cc1ccc(C)cc1)NC[C@@H](C)C#N ZINC000133037671 325261866 /nfs/dbraw/zinc/26/18/66/325261866.db2.gz DIYVULCWRLACHM-ZFWWWQNUSA-N 0 3 230.355 3.065 20 30 BGEDHN CC[C@H](Cc1ccc(C)cc1)NC[C@@H](C)C#N ZINC000133037893 325261952 /nfs/dbraw/zinc/26/19/52/325261952.db2.gz DIYVULCWRLACHM-DZGCQCFKSA-N 0 3 230.355 3.065 20 30 BGEDHN CC[C@@H](Cc1ccc(C)cc1)NC[C@H](C)C#N ZINC000133038049 325261419 /nfs/dbraw/zinc/26/14/19/325261419.db2.gz DIYVULCWRLACHM-HIFRSBDPSA-N 0 3 230.355 3.065 20 30 BGEDHN CC[C@H](Cc1ccc(C)cc1)NC[C@H](C)C#N ZINC000133038247 325261492 /nfs/dbraw/zinc/26/14/92/325261492.db2.gz DIYVULCWRLACHM-UKRRQHHQSA-N 0 3 230.355 3.065 20 30 BGEDHN C=CCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000133052588 591761061 /nfs/dbraw/zinc/76/10/61/591761061.db2.gz VDPUWWLFKMZFPN-YCPHGPKFSA-N 0 3 245.366 3.413 20 30 BGEDHN C=CCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000133053011 591761580 /nfs/dbraw/zinc/76/15/80/591761580.db2.gz VDPUWWLFKMZFPN-IJEWVQPXSA-N 0 3 245.366 3.413 20 30 BGEDHN C=CCCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000133065023 345358205 /nfs/dbraw/zinc/35/82/05/345358205.db2.gz HENBJAIOWXBDKT-GFCCVEGCSA-N 0 3 236.384 3.337 20 30 BGEDHN C=CCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000133065235 353396660 /nfs/dbraw/zinc/39/66/60/353396660.db2.gz HENBJAIOWXBDKT-LBPRGKRZSA-N 0 3 236.384 3.337 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000133098186 191036813 /nfs/dbraw/zinc/03/68/13/191036813.db2.gz FGQNBWBRSDEBFP-STQMWFEESA-N 0 3 218.344 3.477 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000133098389 191036887 /nfs/dbraw/zinc/03/68/87/191036887.db2.gz FGQNBWBRSDEBFP-OLZOCXBDSA-N 0 3 218.344 3.477 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000133098615 191036007 /nfs/dbraw/zinc/03/60/07/191036007.db2.gz FGQNBWBRSDEBFP-QWHCGFSZSA-N 0 3 218.344 3.477 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000133098807 191036253 /nfs/dbraw/zinc/03/62/53/191036253.db2.gz FGQNBWBRSDEBFP-CHWSQXEVSA-N 0 3 218.344 3.477 20 30 BGEDHN C=CCCN(C)Cc1ccccc1OCC ZINC000133123238 371991429 /nfs/dbraw/zinc/99/14/29/371991429.db2.gz YCNCHBMGIYKDJT-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(OCC)cc1 ZINC000133128179 325270585 /nfs/dbraw/zinc/27/05/85/325270585.db2.gz JNPWIYBUAFYMHO-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN C=CCCN1CCSC[C@@H]1c1ccccc1 ZINC000133133190 358746145 /nfs/dbraw/zinc/74/61/45/358746145.db2.gz QMLQDRAJIGGRGS-CQSZACIVSA-N 0 3 233.380 3.353 20 30 BGEDHN C=CCCN1CCSC[C@H]1c1ccccc1 ZINC000133133401 358745905 /nfs/dbraw/zinc/74/59/05/358745905.db2.gz QMLQDRAJIGGRGS-AWEZNQCLSA-N 0 3 233.380 3.353 20 30 BGEDHN C=CCC[C@H](CCC)N[C@@H](CC)CC#N ZINC000133195826 191038662 /nfs/dbraw/zinc/03/86/62/191038662.db2.gz PNSQDJDPJMWZFQ-STQMWFEESA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@@H](CC)CC#N ZINC000133196031 191038874 /nfs/dbraw/zinc/03/88/74/191038874.db2.gz PNSQDJDPJMWZFQ-QWHCGFSZSA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCC[C@H](CCC)N[C@H](CC)CC#N ZINC000133196217 191038521 /nfs/dbraw/zinc/03/85/21/191038521.db2.gz PNSQDJDPJMWZFQ-OLZOCXBDSA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@H](CC)CC#N ZINC000133196430 191038561 /nfs/dbraw/zinc/03/85/61/191038561.db2.gz PNSQDJDPJMWZFQ-CHWSQXEVSA-N 0 3 208.349 3.403 20 30 BGEDHN C=C(Br)CN[C@@H](C)CC1CCC1 ZINC000133312816 591785643 /nfs/dbraw/zinc/78/56/43/591785643.db2.gz FFVOREMYANJFMR-VIFPVBQESA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@H](C)CC1CCC1 ZINC000133313026 591785445 /nfs/dbraw/zinc/78/54/45/591785445.db2.gz FFVOREMYANJFMR-SECBINFHSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@H]1CCC[C@H]1CC ZINC000133330454 591787352 /nfs/dbraw/zinc/78/73/52/591787352.db2.gz GHMQHCLVXVJPDM-ZJUUUORDSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@H]1CCC[C@@H]1CC ZINC000133330687 591787325 /nfs/dbraw/zinc/78/73/25/591787325.db2.gz GHMQHCLVXVJPDM-UWVGGRQHSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@@H]1CCC[C@H]1CC ZINC000133330866 591787308 /nfs/dbraw/zinc/78/73/08/591787308.db2.gz GHMQHCLVXVJPDM-NXEZZACHSA-N 0 3 232.165 3.063 20 30 BGEDHN C=C(Br)CN[C@@H]1CCC[C@@H]1CC ZINC000133331058 591787913 /nfs/dbraw/zinc/78/79/13/591787913.db2.gz GHMQHCLVXVJPDM-VHSXEESVSA-N 0 3 232.165 3.063 20 30 BGEDHN C=CCCC[C@H](C)NCc1occc1C ZINC000133587568 344320203 /nfs/dbraw/zinc/32/02/03/344320203.db2.gz WPHLPQYVYZGQNH-LBPRGKRZSA-N 0 3 207.317 3.422 20 30 BGEDHN C=CCCC[C@@H](C)NCc1occc1C ZINC000133587766 384253643 /nfs/dbraw/zinc/25/36/43/384253643.db2.gz WPHLPQYVYZGQNH-GFCCVEGCSA-N 0 3 207.317 3.422 20 30 BGEDHN C=CCCC[C@H](C)NCc1ccc(C)o1 ZINC000133587998 191040992 /nfs/dbraw/zinc/04/09/92/191040992.db2.gz AWEUEEQBAYLVDP-NSHDSACASA-N 0 3 207.317 3.422 20 30 BGEDHN C=CCCC[C@@H](C)NCc1ccc(C)o1 ZINC000133588136 191041358 /nfs/dbraw/zinc/04/13/58/191041358.db2.gz AWEUEEQBAYLVDP-LLVKDONJSA-N 0 3 207.317 3.422 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(F)c1 ZINC000133740105 591852534 /nfs/dbraw/zinc/85/25/34/591852534.db2.gz YEHJMWOUKLATJU-FZMZJTMJSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cccc(F)c1 ZINC000133740303 591852864 /nfs/dbraw/zinc/85/28/64/591852864.db2.gz YEHJMWOUKLATJU-SMDDNHRTSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cccc(F)c1 ZINC000133740478 591853369 /nfs/dbraw/zinc/85/33/69/591853369.db2.gz YEHJMWOUKLATJU-RISCZKNCSA-N 0 3 234.318 3.039 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)Cc1cccc(F)c1 ZINC000133740717 591853361 /nfs/dbraw/zinc/85/33/61/591853361.db2.gz YEHJMWOUKLATJU-BXUZGUMPSA-N 0 3 234.318 3.039 20 30 BGEDHN C=C(C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000134230059 583583124 /nfs/dbraw/zinc/58/31/24/583583124.db2.gz QBPRNRDXGRSPLV-UHFFFAOYSA-N 0 3 239.318 3.195 20 30 BGEDHN CCCC(C)(C)NCc1ccc(C#N)cc1F ZINC000134316988 411215099 /nfs/dbraw/zinc/21/50/99/411215099.db2.gz STSBJOYKLRNGQM-UHFFFAOYSA-N 0 3 234.318 3.366 20 30 BGEDHN C=C(CN[C@@H](C)c1cccnc1)c1ccccc1 ZINC000134358631 358787486 /nfs/dbraw/zinc/78/74/86/358787486.db2.gz GBALSRWQOMGUHQ-AWEZNQCLSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CN[C@H](C)c1cccnc1)c1ccccc1 ZINC000134358654 358787340 /nfs/dbraw/zinc/78/73/40/358787340.db2.gz GBALSRWQOMGUHQ-CQSZACIVSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CN[C@@H](C)c1ccncc1)c1ccccc1 ZINC000134358680 358787405 /nfs/dbraw/zinc/78/74/05/358787405.db2.gz XCEOKNLIGLDARA-AWEZNQCLSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CN[C@H](C)c1ccncc1)c1ccccc1 ZINC000134358702 358787408 /nfs/dbraw/zinc/78/74/08/358787408.db2.gz XCEOKNLIGLDARA-CQSZACIVSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CN[C@@H](C)c1ccccn1)c1ccccc1 ZINC000134358729 358787785 /nfs/dbraw/zinc/78/77/85/358787785.db2.gz MKZLLCDOGGHNJV-AWEZNQCLSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CN[C@H](C)c1ccccn1)c1ccccc1 ZINC000134358752 358787610 /nfs/dbraw/zinc/78/76/10/358787610.db2.gz MKZLLCDOGGHNJV-CQSZACIVSA-N 0 3 238.334 3.446 20 30 BGEDHN C=C(CNCc1ccc(C)nc1)c1ccccc1 ZINC000134364867 591923659 /nfs/dbraw/zinc/92/36/59/591923659.db2.gz VVUZAODZTUSLTA-UHFFFAOYSA-N 0 3 238.334 3.193 20 30 BGEDHN C=C(C)COCCNC/C(C)=C/c1ccccc1 ZINC000134505159 325362016 /nfs/dbraw/zinc/36/20/16/325362016.db2.gz QPYCYKJKFRXUKM-RVDMUPIBSA-N 0 3 245.366 3.272 20 30 BGEDHN C=CCSCCNCc1cc(F)ccc1C ZINC000134534053 358794678 /nfs/dbraw/zinc/79/46/78/358794678.db2.gz LNCUTXFUOZECSL-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN CC(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000134738700 342880578 /nfs/dbraw/zinc/88/05/78/342880578.db2.gz WKCQIZLVSWTTTL-JTQLQIEISA-N 0 3 220.291 3.004 20 30 BGEDHN CC(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000134738719 342880669 /nfs/dbraw/zinc/88/06/69/342880669.db2.gz WKCQIZLVSWTTTL-SNVBAGLBSA-N 0 3 220.291 3.004 20 30 BGEDHN CCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000134738747 342880606 /nfs/dbraw/zinc/88/06/06/342880606.db2.gz LENWRTMMBZBBFQ-JTQLQIEISA-N 0 3 220.291 3.148 20 30 BGEDHN CCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000134738769 342880796 /nfs/dbraw/zinc/88/07/96/342880796.db2.gz LENWRTMMBZBBFQ-SNVBAGLBSA-N 0 3 220.291 3.148 20 30 BGEDHN CC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000134738991 342880502 /nfs/dbraw/zinc/88/05/02/342880502.db2.gz SPOUGFLLLJXFMP-ZJUUUORDSA-N 0 3 220.291 3.146 20 30 BGEDHN CC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000134739013 134768924 /nfs/dbraw/zinc/76/89/24/134768924.db2.gz SPOUGFLLLJXFMP-UWVGGRQHSA-N 0 3 220.291 3.146 20 30 BGEDHN CC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000134739036 342880742 /nfs/dbraw/zinc/88/07/42/342880742.db2.gz SPOUGFLLLJXFMP-NXEZZACHSA-N 0 3 220.291 3.146 20 30 BGEDHN CC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000134739058 342880626 /nfs/dbraw/zinc/88/06/26/342880626.db2.gz SPOUGFLLLJXFMP-VHSXEESVSA-N 0 3 220.291 3.146 20 30 BGEDHN C=CC[C@H](C)NCc1cn2cc(Cl)ccc2n1 ZINC000134747016 358804617 /nfs/dbraw/zinc/80/46/17/358804617.db2.gz UCJPTUVYUOBGAJ-JTQLQIEISA-N 0 3 249.745 3.042 20 30 BGEDHN C=CC[C@@H](C)NCc1cn2cc(Cl)ccc2n1 ZINC000134747041 358805170 /nfs/dbraw/zinc/80/51/70/358805170.db2.gz UCJPTUVYUOBGAJ-SNVBAGLBSA-N 0 3 249.745 3.042 20 30 BGEDHN CC(C)c1cnc(CNCCCCC#N)s1 ZINC000134846415 325378921 /nfs/dbraw/zinc/37/89/21/325378921.db2.gz ZBNDPFAYCPJLPX-UHFFFAOYSA-N 0 3 237.372 3.050 20 30 BGEDHN C#CCCCCNCc1ncc(C(C)C)s1 ZINC000134859020 591952996 /nfs/dbraw/zinc/95/29/96/591952996.db2.gz XMMCBPPGEQRNAL-UHFFFAOYSA-N 0 3 236.384 3.160 20 30 BGEDHN C=CCC[C@H](C)NCc1ncc(CC)s1 ZINC000134926385 364420989 /nfs/dbraw/zinc/42/09/89/364420989.db2.gz MWORVDHUYJBMGM-JTQLQIEISA-N 0 3 224.373 3.150 20 30 BGEDHN C=CCC[C@@H](C)NCc1ncc(CC)s1 ZINC000134926399 364420244 /nfs/dbraw/zinc/42/02/44/364420244.db2.gz MWORVDHUYJBMGM-SNVBAGLBSA-N 0 3 224.373 3.150 20 30 BGEDHN C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000134928953 591962167 /nfs/dbraw/zinc/96/21/67/591962167.db2.gz CSGJZROXPOEMCN-CMPLNLGQSA-N 0 3 219.328 3.234 20 30 BGEDHN C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000134928976 584954711 /nfs/dbraw/zinc/95/47/11/584954711.db2.gz CSGJZROXPOEMCN-JQWIXIFHSA-N 0 3 219.328 3.234 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000134928996 591962098 /nfs/dbraw/zinc/96/20/98/591962098.db2.gz CSGJZROXPOEMCN-ZYHUDNBSSA-N 0 3 219.328 3.234 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000134929012 591961839 /nfs/dbraw/zinc/96/18/39/591961839.db2.gz CSGJZROXPOEMCN-PWSUYJOCSA-N 0 3 219.328 3.234 20 30 BGEDHN C=C(Cl)CN[C@H](C)c1ccc(C)c(C)c1O ZINC000134932748 353516203 /nfs/dbraw/zinc/51/62/03/353516203.db2.gz FGTZGJRLUPHNSN-LLVKDONJSA-N 0 3 239.746 3.412 20 30 BGEDHN C=C(Cl)CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000134932771 353516831 /nfs/dbraw/zinc/51/68/31/353516831.db2.gz FGTZGJRLUPHNSN-NSHDSACASA-N 0 3 239.746 3.412 20 30 BGEDHN C[C@@H](C1CC1)N(C)CC#Cc1ccccc1Cl ZINC000134965314 538114187 /nfs/dbraw/zinc/11/41/87/538114187.db2.gz IWMFQSJAPXPNTH-LBPRGKRZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H](C1CC1)N(C)CC#Cc1ccccc1Cl ZINC000134965333 538114174 /nfs/dbraw/zinc/11/41/74/538114174.db2.gz IWMFQSJAPXPNTH-GFCCVEGCSA-N 0 3 247.769 3.422 20 30 BGEDHN CC[C@@H]1CCC[C@H](CNCC(C)(C)C#N)C1 ZINC000134975529 325385332 /nfs/dbraw/zinc/38/53/32/325385332.db2.gz KWZFNTYBGLGLCG-OLZOCXBDSA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@H]1CCC[C@H](CNCC(C)(C)C#N)C1 ZINC000134975552 325385675 /nfs/dbraw/zinc/38/56/75/325385675.db2.gz KWZFNTYBGLGLCG-STQMWFEESA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CNCC(C)(C)C#N)C1 ZINC000134975572 325385580 /nfs/dbraw/zinc/38/55/80/325385580.db2.gz KWZFNTYBGLGLCG-CHWSQXEVSA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@H]1CCC[C@@H](CNCC(C)(C)C#N)C1 ZINC000134975590 325385804 /nfs/dbraw/zinc/38/58/04/325385804.db2.gz KWZFNTYBGLGLCG-QWHCGFSZSA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@@H](CSC(C)(C)C)NCC(C)(C)C#N ZINC000134976198 591966489 /nfs/dbraw/zinc/96/64/89/591966489.db2.gz SJALQAMUAGNPIU-JTQLQIEISA-N 0 3 228.405 3.046 20 30 BGEDHN C[C@H](CSC(C)(C)C)NCC(C)(C)C#N ZINC000134976215 591966368 /nfs/dbraw/zinc/96/63/68/591966368.db2.gz SJALQAMUAGNPIU-SNVBAGLBSA-N 0 3 228.405 3.046 20 30 BGEDHN CC(C)=CCC[C@H](C)NCC(C)(C)C#N ZINC000134977150 325385751 /nfs/dbraw/zinc/38/57/51/325385751.db2.gz CHJQZBQWYRBFLP-LBPRGKRZSA-N 0 3 208.349 3.261 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCC(C)(C)C#N ZINC000134977171 323026216 /nfs/dbraw/zinc/02/62/16/323026216.db2.gz CHJQZBQWYRBFLP-GFCCVEGCSA-N 0 3 208.349 3.261 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000134980451 325386557 /nfs/dbraw/zinc/38/65/57/325386557.db2.gz GXYYGOVYRNDRTM-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000134980466 325386258 /nfs/dbraw/zinc/38/62/58/325386258.db2.gz GXYYGOVYRNDRTM-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000134981234 325386405 /nfs/dbraw/zinc/38/64/05/325386405.db2.gz NYYNHNHPQBMMBO-CQSZACIVSA-N 0 3 228.339 3.036 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000134981254 323302031 /nfs/dbraw/zinc/30/20/31/323302031.db2.gz NYYNHNHPQBMMBO-AWEZNQCLSA-N 0 3 228.339 3.036 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000134982742 325386299 /nfs/dbraw/zinc/38/62/99/325386299.db2.gz UVJYHYQLKGQGPM-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000134982761 325386472 /nfs/dbraw/zinc/38/64/72/325386472.db2.gz UVJYHYQLKGQGPM-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(CC#Cc1ccccc1Cl)CC1CC1 ZINC000134995333 325387307 /nfs/dbraw/zinc/38/73/07/325387307.db2.gz LYRLISXSEAVOGV-UHFFFAOYSA-N 0 3 233.742 3.033 20 30 BGEDHN CCN(CC#Cc1ccccc1Cl)C(C)C ZINC000134998730 325387401 /nfs/dbraw/zinc/38/74/01/325387401.db2.gz FLYUDVLWDPRWRO-UHFFFAOYSA-N 0 3 235.758 3.422 20 30 BGEDHN CCCN(C)CC#Cc1ccccc1Cl ZINC000135009575 325388356 /nfs/dbraw/zinc/38/83/56/325388356.db2.gz GKKFSTKJZFNHLM-UHFFFAOYSA-N 0 3 221.731 3.033 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCC=C(C)C ZINC000135039375 364423740 /nfs/dbraw/zinc/42/37/40/364423740.db2.gz WYWYJNQOGVESOX-STQMWFEESA-N 0 3 208.349 3.403 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCC=C(C)C ZINC000135039392 364424314 /nfs/dbraw/zinc/42/43/14/364424314.db2.gz WYWYJNQOGVESOX-QWHCGFSZSA-N 0 3 208.349 3.403 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCC=C(C)C ZINC000135039413 364424061 /nfs/dbraw/zinc/42/40/61/364424061.db2.gz WYWYJNQOGVESOX-OLZOCXBDSA-N 0 3 208.349 3.403 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCC=C(C)C ZINC000135039428 364423964 /nfs/dbraw/zinc/42/39/64/364423964.db2.gz WYWYJNQOGVESOX-CHWSQXEVSA-N 0 3 208.349 3.403 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H]1CCC[C@@H](CC)C1 ZINC000135039643 325390017 /nfs/dbraw/zinc/39/00/17/325390017.db2.gz JDPMXGSYARLAJF-RDBSUJKOSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H]1CCC[C@@H](CC)C1 ZINC000135039680 325390001 /nfs/dbraw/zinc/39/00/01/325390001.db2.gz JDPMXGSYARLAJF-MCIONIFRSA-N 0 3 222.376 3.485 20 30 BGEDHN CN(CC#Cc1ccccc1Cl)CC1CCC1 ZINC000135069914 325391612 /nfs/dbraw/zinc/39/16/12/325391612.db2.gz CXSFPNLSJOILBR-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN CCN(CC#Cc1ccccc1Cl)CC1CC1 ZINC000135071997 325391599 /nfs/dbraw/zinc/39/15/99/325391599.db2.gz UAFXHCQMELKVNC-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN CC(C)(C#N)c1ccccc1CN1CCCCC1 ZINC000135092636 345432257 /nfs/dbraw/zinc/43/22/57/345432257.db2.gz MIYOXXIUXPFKEC-UHFFFAOYSA-N 0 3 242.366 3.474 20 30 BGEDHN CN(CC#Cc1ccccc1Cl)C1CCC1 ZINC000135102356 325393213 /nfs/dbraw/zinc/39/32/13/325393213.db2.gz YLKHEAVDPSBYRI-UHFFFAOYSA-N 0 3 233.742 3.176 20 30 BGEDHN N#Cc1ccc(CNCCC2=CCCCC2)o1 ZINC000135121497 325396234 /nfs/dbraw/zinc/39/62/34/325396234.db2.gz KVRZKXNOMKATPA-UHFFFAOYSA-N 0 3 230.311 3.131 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)[C@@H]1C ZINC000135122365 176144287 /nfs/dbraw/zinc/14/42/87/176144287.db2.gz DYELIJZLHQBDBU-GYSYKLTISA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000135122379 177137496 /nfs/dbraw/zinc/13/74/96/177137496.db2.gz DYELIJZLHQBDBU-WDMOLILDSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)[C@@H]1C ZINC000135122394 176123350 /nfs/dbraw/zinc/12/33/50/176123350.db2.gz DYELIJZLHQBDBU-JTNHKYCSSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@H]1[C@H](NCc2ccc(C#N)o2)CCC[C@@H]1C ZINC000135122414 177122874 /nfs/dbraw/zinc/12/28/74/177122874.db2.gz DYELIJZLHQBDBU-MISXGVKJSA-N 0 3 232.327 3.066 20 30 BGEDHN CC(C)CCC[C@@H](C)NCc1ccc(C#N)o1 ZINC000135122699 398109695 /nfs/dbraw/zinc/10/96/95/398109695.db2.gz WWQXLNOBHVTCEX-GFCCVEGCSA-N 0 3 234.343 3.456 20 30 BGEDHN CC(C)CCC[C@H](C)NCc1ccc(C#N)o1 ZINC000135122717 384415144 /nfs/dbraw/zinc/41/51/44/384415144.db2.gz WWQXLNOBHVTCEX-LBPRGKRZSA-N 0 3 234.343 3.456 20 30 BGEDHN N#Cc1ccc(CNC2CCCCCCC2)o1 ZINC000135123491 181106471 /nfs/dbraw/zinc/10/64/71/181106471.db2.gz VUICENWHVQSOCG-UHFFFAOYSA-N 0 3 232.327 3.354 20 30 BGEDHN CCCC[C@@H](CC)CNCc1ccc(C#N)o1 ZINC000135124088 323027176 /nfs/dbraw/zinc/02/71/76/323027176.db2.gz CFEBEMRVSWUKPW-GFCCVEGCSA-N 0 3 234.343 3.457 20 30 BGEDHN CCCC[C@H](CC)CNCc1ccc(C#N)o1 ZINC000135124109 325396053 /nfs/dbraw/zinc/39/60/53/325396053.db2.gz CFEBEMRVSWUKPW-LBPRGKRZSA-N 0 3 234.343 3.457 20 30 BGEDHN CC(C)(CCC#N)CNCc1ccccc1F ZINC000135126033 353536106 /nfs/dbraw/zinc/53/61/06/353536106.db2.gz IBCHOIHNDISTQK-UHFFFAOYSA-N 0 3 234.318 3.245 20 30 BGEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000135127377 384415670 /nfs/dbraw/zinc/41/56/70/384415670.db2.gz RTUIPVCBUFTQRH-LBPRGKRZSA-N 0 3 240.306 3.045 20 30 BGEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000135127395 384050963 /nfs/dbraw/zinc/05/09/63/384050963.db2.gz RTUIPVCBUFTQRH-GFCCVEGCSA-N 0 3 240.306 3.045 20 30 BGEDHN N#Cc1ccc(CNCCC2CCCCC2)o1 ZINC000135140153 181108649 /nfs/dbraw/zinc/10/86/49/181108649.db2.gz SDLZABSFDVHEPX-UHFFFAOYSA-N 0 3 232.327 3.211 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000135142405 384057271 /nfs/dbraw/zinc/05/72/71/384057271.db2.gz JTQQTNSROZUETK-RISCZKNCSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000135142423 384057194 /nfs/dbraw/zinc/05/71/94/384057194.db2.gz JTQQTNSROZUETK-FZMZJTMJSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000135142446 384057452 /nfs/dbraw/zinc/05/74/52/384057452.db2.gz JTQQTNSROZUETK-BXUZGUMPSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000135142466 384058743 /nfs/dbraw/zinc/05/87/43/384058743.db2.gz JTQQTNSROZUETK-SMDDNHRTSA-N 0 3 232.327 3.210 20 30 BGEDHN CC(C)(C)CC(C)(C)NCc1ccc(C#N)o1 ZINC000135142567 384058202 /nfs/dbraw/zinc/05/82/02/384058202.db2.gz HTUBSYTYZKUFRI-UHFFFAOYSA-N 0 3 234.343 3.456 20 30 BGEDHN CCC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000135153658 343954010 /nfs/dbraw/zinc/95/40/10/343954010.db2.gz PGKIBEXBYVIOPD-UHFFFAOYSA-N 0 3 232.327 3.210 20 30 BGEDHN CC1CCC(CNCc2ccc(C#N)o2)CC1 ZINC000135162138 168156490 /nfs/dbraw/zinc/15/64/90/168156490.db2.gz GJBTYKXHFLTWEH-UHFFFAOYSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000135163087 176077406 /nfs/dbraw/zinc/07/74/06/176077406.db2.gz GWPNHKGQRKZGHC-VXGBXAGGSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000135163103 177079715 /nfs/dbraw/zinc/07/97/15/177079715.db2.gz GWPNHKGQRKZGHC-NWDGAFQWSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000135163121 176085616 /nfs/dbraw/zinc/08/56/16/176085616.db2.gz GWPNHKGQRKZGHC-NEPJUHHUSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@H]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000135163141 177086167 /nfs/dbraw/zinc/08/61/67/177086167.db2.gz GWPNHKGQRKZGHC-RYUDHWBXSA-N 0 3 232.327 3.067 20 30 BGEDHN CCC1CCC(CNCc2ccc(C#N)o2)CC1 ZINC000135174416 325398921 /nfs/dbraw/zinc/39/89/21/325398921.db2.gz CEXKCWNEOHMZIJ-UHFFFAOYSA-N 0 3 246.354 3.457 20 30 BGEDHN CC[C@@H](C)N(C)CC#Cc1ccccc1Cl ZINC000135181278 325399235 /nfs/dbraw/zinc/39/92/35/325399235.db2.gz JEYMXRJFFIQDKU-GFCCVEGCSA-N 0 3 235.758 3.422 20 30 BGEDHN CC[C@H](C)N(C)CC#Cc1ccccc1Cl ZINC000135181301 325399523 /nfs/dbraw/zinc/39/95/23/325399523.db2.gz JEYMXRJFFIQDKU-LBPRGKRZSA-N 0 3 235.758 3.422 20 30 BGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)o2)[C@H](C)C1 ZINC000135184124 176233490 /nfs/dbraw/zinc/23/34/90/176233490.db2.gz ODPCPDMJRIQTIF-GYSYKLTISA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1C[C@@H](C)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000135184143 177205425 /nfs/dbraw/zinc/20/54/25/177205425.db2.gz ODPCPDMJRIQTIF-WDMOLILDSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)o2)[C@H](C)C1 ZINC000135184160 176213686 /nfs/dbraw/zinc/21/36/86/176213686.db2.gz ODPCPDMJRIQTIF-JTNHKYCSSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1C[C@@H](C)CC[C@H]1NCc1ccc(C#N)o1 ZINC000135184182 177193397 /nfs/dbraw/zinc/19/33/97/177193397.db2.gz ODPCPDMJRIQTIF-MISXGVKJSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CCC[C@H](CCNCc2ccc(C#N)o2)C1 ZINC000135187394 343964810 /nfs/dbraw/zinc/96/48/10/343964810.db2.gz MKAPSOANDBVJAJ-CHWSQXEVSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@H]1CCC[C@H](CCNCc2ccc(C#N)o2)C1 ZINC000135187411 343965025 /nfs/dbraw/zinc/96/50/25/343965025.db2.gz MKAPSOANDBVJAJ-QWHCGFSZSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@@H]1CCC[C@@H](CCNCc2ccc(C#N)o2)C1 ZINC000135187431 343964951 /nfs/dbraw/zinc/96/49/51/343964951.db2.gz MKAPSOANDBVJAJ-OLZOCXBDSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@H]1CCC[C@@H](CCNCc2ccc(C#N)o2)C1 ZINC000135187452 343965012 /nfs/dbraw/zinc/96/50/12/343965012.db2.gz MKAPSOANDBVJAJ-STQMWFEESA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@H]1CC(NCc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000135190568 176055445 /nfs/dbraw/zinc/05/54/45/176055445.db2.gz YPEAEKJHKFZTIY-FOSCPWQOSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CC(NCc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000135190585 176055375 /nfs/dbraw/zinc/05/53/75/176055375.db2.gz YPEAEKJHKFZTIY-QWRGUYRKSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@H]1CC(NCc2ccc(C#N)o2)C[C@H](C)C1 ZINC000135190603 177065448 /nfs/dbraw/zinc/06/54/48/177065448.db2.gz YPEAEKJHKFZTIY-GHMZBOCLSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000135191896 343964987 /nfs/dbraw/zinc/96/49/87/343964987.db2.gz BYTVWQHFUUATFA-NEPJUHHUSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000135191915 384170561 /nfs/dbraw/zinc/17/05/61/384170561.db2.gz BYTVWQHFUUATFA-RYUDHWBXSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000135191931 343964746 /nfs/dbraw/zinc/96/47/46/343964746.db2.gz BYTVWQHFUUATFA-VXGBXAGGSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000135191952 384171852 /nfs/dbraw/zinc/17/18/52/384171852.db2.gz BYTVWQHFUUATFA-NWDGAFQWSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H](NCc1ccc(C#N)o1)C1CCCCC1 ZINC000135192872 384171347 /nfs/dbraw/zinc/17/13/47/384171347.db2.gz ZPPMBEOBLXDAPT-NSHDSACASA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@@H](NCc1ccc(C#N)o1)C1CCCCC1 ZINC000135192890 325400127 /nfs/dbraw/zinc/40/01/27/325400127.db2.gz ZPPMBEOBLXDAPT-LLVKDONJSA-N 0 3 232.327 3.210 20 30 BGEDHN CC1(C)CCC(NCc2ccc(C#N)o2)CC1 ZINC000135193009 323027364 /nfs/dbraw/zinc/02/73/64/323027364.db2.gz BRXALCBJJASHNU-UHFFFAOYSA-N 0 3 232.327 3.210 20 30 BGEDHN CN(CC#Cc1ccccc1Cl)CCC1CC1 ZINC000135256562 384573588 /nfs/dbraw/zinc/57/35/88/384573588.db2.gz JSYPLCVGZUBGJY-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN CC#CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000135264398 388488070 /nfs/dbraw/zinc/48/80/70/388488070.db2.gz ZYSWCYAGPOMUMF-JTQLQIEISA-N 0 3 241.256 3.379 20 30 BGEDHN CC#CCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000135264417 388488312 /nfs/dbraw/zinc/48/83/12/388488312.db2.gz ZYSWCYAGPOMUMF-SNVBAGLBSA-N 0 3 241.256 3.379 20 30 BGEDHN CN(CC#Cc1cccc(Cl)c1)CCC1CC1 ZINC000135274227 388487526 /nfs/dbraw/zinc/48/75/26/388487526.db2.gz ZDSZURSRPRETHD-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN CN(CC#Cc1ccc(Cl)cc1)CCC1CC1 ZINC000135310220 388490889 /nfs/dbraw/zinc/49/08/89/388490889.db2.gz CMVQPOVHOSRGAG-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365717 592010143 /nfs/dbraw/zinc/01/01/43/592010143.db2.gz LSVKMCSJVVGBTE-QWRGUYRKSA-N 0 3 234.299 3.210 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365735 592010046 /nfs/dbraw/zinc/01/00/46/592010046.db2.gz LSVKMCSJVVGBTE-MNOVXSKESA-N 0 3 234.299 3.210 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365751 592010012 /nfs/dbraw/zinc/01/00/12/592010012.db2.gz LSVKMCSJVVGBTE-WDEREUQCSA-N 0 3 234.299 3.210 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365773 592010371 /nfs/dbraw/zinc/01/03/71/592010371.db2.gz LSVKMCSJVVGBTE-GHMZBOCLSA-N 0 3 234.299 3.210 20 30 BGEDHN CC[C@@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000135410351 344266296 /nfs/dbraw/zinc/26/62/96/344266296.db2.gz BBNITGPRFWOYKV-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN CC[C@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000135410368 344266250 /nfs/dbraw/zinc/26/62/50/344266250.db2.gz BBNITGPRFWOYKV-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CCCCC[C@@H](C)NCc1ccc(C#N)o1 ZINC000135479893 384825220 /nfs/dbraw/zinc/82/52/20/384825220.db2.gz DLQNQRBYGXIGJS-LLVKDONJSA-N 0 3 220.316 3.210 20 30 BGEDHN CCCCC[C@H](C)NCc1ccc(C#N)o1 ZINC000135479915 384448682 /nfs/dbraw/zinc/44/86/82/384448682.db2.gz DLQNQRBYGXIGJS-NSHDSACASA-N 0 3 220.316 3.210 20 30 BGEDHN CC(C)CC[C@@H](C)NCc1ccc(C#N)o1 ZINC000135479960 384825361 /nfs/dbraw/zinc/82/53/61/384825361.db2.gz DIVMNJMLFANTNM-LLVKDONJSA-N 0 3 220.316 3.066 20 30 BGEDHN CC(C)CC[C@H](C)NCc1ccc(C#N)o1 ZINC000135479979 344458306 /nfs/dbraw/zinc/45/83/06/344458306.db2.gz DIVMNJMLFANTNM-NSHDSACASA-N 0 3 220.316 3.066 20 30 BGEDHN CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)o1 ZINC000135487792 384905153 /nfs/dbraw/zinc/90/51/53/384905153.db2.gz HLJVDHBQEZEUMR-GHMZBOCLSA-N 0 3 220.316 3.066 20 30 BGEDHN CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)o1 ZINC000135487815 171295770 /nfs/dbraw/zinc/29/57/70/171295770.db2.gz HLJVDHBQEZEUMR-WDEREUQCSA-N 0 3 220.316 3.066 20 30 BGEDHN CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)o1 ZINC000135487832 384904583 /nfs/dbraw/zinc/90/45/83/384904583.db2.gz HLJVDHBQEZEUMR-MNOVXSKESA-N 0 3 220.316 3.066 20 30 BGEDHN CC[C@H](C)C[C@H](C)NCc1ccc(C#N)o1 ZINC000135487851 171298081 /nfs/dbraw/zinc/29/80/81/171298081.db2.gz HLJVDHBQEZEUMR-QWRGUYRKSA-N 0 3 220.316 3.066 20 30 BGEDHN N#Cc1ccc(CNCCc2ccsc2)s1 ZINC000135496147 181108479 /nfs/dbraw/zinc/10/84/79/181108479.db2.gz FMCHIAIFBWZQKV-UHFFFAOYSA-N 0 3 248.376 3.014 20 30 BGEDHN Cc1ccc(CNCc2ccc(C#N)s2)s1 ZINC000135496786 384973534 /nfs/dbraw/zinc/97/35/34/384973534.db2.gz GSHVWBMPQSYECP-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN Cc1ccsc1CNCc1ccc(C#N)s1 ZINC000135497992 384980122 /nfs/dbraw/zinc/98/01/22/384980122.db2.gz PLHRNMQZFDYHNU-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN CC1(C)C(NCc2ccc(C#N)s2)C1(C)C ZINC000135562908 344748270 /nfs/dbraw/zinc/74/82/70/344748270.db2.gz MSAXHFIXNGDUST-UHFFFAOYSA-N 0 3 234.368 3.144 20 30 BGEDHN C=CCOc1ccccc1CNC1CC(C)C1 ZINC000135564446 358844080 /nfs/dbraw/zinc/84/40/80/358844080.db2.gz RHBXHVVTBAEXBY-UHFFFAOYSA-N 0 3 231.339 3.140 20 30 BGEDHN C[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135667679 325421589 /nfs/dbraw/zinc/42/15/89/325421589.db2.gz GZXGCIHYCOLXQF-NSHDSACASA-N 0 3 242.347 3.471 20 30 BGEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135667713 325421601 /nfs/dbraw/zinc/42/16/01/325421601.db2.gz GZXGCIHYCOLXQF-LLVKDONJSA-N 0 3 242.347 3.471 20 30 BGEDHN Cc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000135669059 325421584 /nfs/dbraw/zinc/42/15/84/325421584.db2.gz LOJYJRFWAAPEPE-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1ccccc1CNCc1ccc(C#N)s1 ZINC000135670209 323030122 /nfs/dbraw/zinc/03/01/22/323030122.db2.gz MWAAIVSYRQCROT-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1CC#Cc1ccccc1 ZINC000136183244 388525961 /nfs/dbraw/zinc/52/59/61/388525961.db2.gz KMPHHQGRQQEZHJ-GASCZTMLSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2ccccc2)[C@H]1C ZINC000136956907 345679775 /nfs/dbraw/zinc/67/97/75/345679775.db2.gz YBVPKXXAECZVRA-GJZGRUSLSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1 ZINC000136958281 323032672 /nfs/dbraw/zinc/03/26/72/323032672.db2.gz ILODGVZIBDFILB-WFASDCNBSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(F)cc1 ZINC000136958311 325472577 /nfs/dbraw/zinc/47/25/77/325472577.db2.gz ILODGVZIBDFILB-SWLSCSKDSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccc(F)cc1 ZINC000136958353 388552745 /nfs/dbraw/zinc/55/27/45/388552745.db2.gz ILODGVZIBDFILB-DOMZBBRYSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccc(F)cc1 ZINC000136958382 388553272 /nfs/dbraw/zinc/55/32/72/388553272.db2.gz ILODGVZIBDFILB-IUODEOHRSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CC1CCCC1 ZINC000136959429 388552598 /nfs/dbraw/zinc/55/25/98/388552598.db2.gz LINLZEYIEFIGTB-AAEUAGOBSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CC1CCCC1 ZINC000136959466 388552569 /nfs/dbraw/zinc/55/25/69/388552569.db2.gz LINLZEYIEFIGTB-WCQYABFASA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CC1CCCC1 ZINC000136959503 388552640 /nfs/dbraw/zinc/55/26/40/388552640.db2.gz LINLZEYIEFIGTB-YPMHNXCESA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CC1CCCC1 ZINC000136959546 388552975 /nfs/dbraw/zinc/55/29/75/388552975.db2.gz LINLZEYIEFIGTB-DGCLKSJQSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccccc1F ZINC000136959887 345565327 /nfs/dbraw/zinc/56/53/27/345565327.db2.gz UQLRZVMLTHTTLC-JSGCOSHPSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccccc1F ZINC000136959931 345565669 /nfs/dbraw/zinc/56/56/69/345565669.db2.gz UQLRZVMLTHTTLC-GXTWGEPZSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccccc1F ZINC000136959966 345565296 /nfs/dbraw/zinc/56/52/96/345565296.db2.gz UQLRZVMLTHTTLC-OCCSQVGLSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccccc1F ZINC000136960000 134790970 /nfs/dbraw/zinc/79/09/70/134790970.db2.gz UQLRZVMLTHTTLC-TZMCWYRMSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccccc1C ZINC000136961073 345565591 /nfs/dbraw/zinc/56/55/91/345565591.db2.gz YRBOAKYFJMVYJX-ZFWWWQNUSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccccc1C ZINC000136961114 345565504 /nfs/dbraw/zinc/56/55/04/345565504.db2.gz YRBOAKYFJMVYJX-DZGCQCFKSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccccc1C ZINC000136961159 345565686 /nfs/dbraw/zinc/56/56/86/345565686.db2.gz YRBOAKYFJMVYJX-HIFRSBDPSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccccc1C ZINC000136961203 345565314 /nfs/dbraw/zinc/56/53/14/345565314.db2.gz YRBOAKYFJMVYJX-UKRRQHHQSA-N 0 3 230.355 3.208 20 30 BGEDHN C=C(C)CNCc1csc(Br)c1 ZINC000137156332 364504043 /nfs/dbraw/zinc/50/40/43/364504043.db2.gz TUUBOFZIAUHZRM-UHFFFAOYSA-N 0 3 246.173 3.176 20 30 BGEDHN N#CCCCN1CCC(c2ccccc2)CC1 ZINC000138183117 358902832 /nfs/dbraw/zinc/90/28/32/358902832.db2.gz QGZZXCNDRXDFLE-UHFFFAOYSA-N 0 3 228.339 3.170 20 30 BGEDHN C[C@H]1CC[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000139880299 388653718 /nfs/dbraw/zinc/65/37/18/388653718.db2.gz WTVHRNCZBRUURT-GJZGRUSLSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000139970742 364615263 /nfs/dbraw/zinc/61/52/63/364615263.db2.gz XGLQTEWIGVUZLG-CYBMUJFWSA-N 0 3 247.769 3.423 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000139970898 364615502 /nfs/dbraw/zinc/61/55/02/364615502.db2.gz XGLQTEWIGVUZLG-ZDUSSCGKSA-N 0 3 247.769 3.423 20 30 BGEDHN C=C(Br)CN1CCC[C@H]1C(C)C ZINC000143287140 711784019 /nfs/dbraw/zinc/78/40/19/711784019.db2.gz GLSVSWIGWQRCGI-JTQLQIEISA-N 0 3 232.165 3.015 20 30 BGEDHN CCCCCCCN1CCSCC1 ZINC000145979900 582536520 /nfs/dbraw/zinc/53/65/20/582536520.db2.gz BLNDGOZVTAMIRK-UHFFFAOYSA-N 0 3 201.379 3.006 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000146291703 345713024 /nfs/dbraw/zinc/71/30/24/345713024.db2.gz AIHMKDXJQVUMAW-CYBMUJFWSA-N 0 3 247.769 3.423 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000146291889 345713108 /nfs/dbraw/zinc/71/31/08/345713108.db2.gz AIHMKDXJQVUMAW-ZDUSSCGKSA-N 0 3 247.769 3.423 20 30 BGEDHN COc1cccc([C@@H](C)NCCC(C)(C)C#N)c1 ZINC000148270127 175287053 /nfs/dbraw/zinc/28/70/53/175287053.db2.gz QTONREJHEFHFJL-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000148273710 322915726 /nfs/dbraw/zinc/91/57/26/322915726.db2.gz IHGBVTIOUQYRPG-GFCCVEGCSA-N 0 3 244.338 3.040 20 30 BGEDHN COc1cccc([C@H](C)NCCC(C)(C)C#N)c1 ZINC000148329699 175293040 /nfs/dbraw/zinc/29/30/40/175293040.db2.gz QTONREJHEFHFJL-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1cccc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000148333200 322918333 /nfs/dbraw/zinc/91/83/33/322918333.db2.gz IHGBVTIOUQYRPG-LBPRGKRZSA-N 0 3 244.338 3.040 20 30 BGEDHN C[C@@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000148995302 346510978 /nfs/dbraw/zinc/51/09/78/346510978.db2.gz RLICSBCMQSXJTA-NSHDSACASA-N 0 3 248.345 3.469 20 30 BGEDHN C[C@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000148995494 346510916 /nfs/dbraw/zinc/51/09/16/346510916.db2.gz RLICSBCMQSXJTA-LLVKDONJSA-N 0 3 248.345 3.469 20 30 BGEDHN COc1ccccc1[C@H](C)NCCC(C)(C)C#N ZINC000149225904 384922428 /nfs/dbraw/zinc/92/24/28/384922428.db2.gz AUDNCGGQDAXGSE-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccccc1[C@H](C)NCC1(CC#N)CC1 ZINC000149230447 387649554 /nfs/dbraw/zinc/64/95/54/387649554.db2.gz VIVVHXZRGJGQRN-LBPRGKRZSA-N 0 3 244.338 3.040 20 30 BGEDHN COc1ccccc1[C@@H](C)NCCC(C)(C)C#N ZINC000149285615 384928173 /nfs/dbraw/zinc/92/81/73/384928173.db2.gz AUDNCGGQDAXGSE-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000149289923 387649418 /nfs/dbraw/zinc/64/94/18/387649418.db2.gz VIVVHXZRGJGQRN-GFCCVEGCSA-N 0 3 244.338 3.040 20 30 BGEDHN C#CCCCCNCc1c(F)cccc1Cl ZINC000150737327 631660626 /nfs/dbraw/zinc/66/06/26/631660626.db2.gz VLRMFWHXCPEYSC-UHFFFAOYSA-N 0 3 239.721 3.372 20 30 BGEDHN 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CC(C)CC1(CNCc2ccc(C#N)o2)CC1 ZINC000152838139 388370296 /nfs/dbraw/zinc/37/02/96/388370296.db2.gz AKDJGTBFQUSQEQ-UHFFFAOYSA-N 0 3 232.327 3.067 20 30 BGEDHN C=CCN1CCC(Nc2cccc(C)c2)CC1 ZINC000153007792 344732501 /nfs/dbraw/zinc/73/25/01/344732501.db2.gz CEYVXTKPZPBBPX-UHFFFAOYSA-N 0 3 230.355 3.057 20 30 BGEDHN C=C(C)CN1CCC(Nc2cccc(C)c2)CC1 ZINC000153035464 384131704 /nfs/dbraw/zinc/13/17/04/384131704.db2.gz MBBZPSPHEHILNT-UHFFFAOYSA-N 0 3 244.382 3.447 20 30 BGEDHN C=C(C)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153319303 384271413 /nfs/dbraw/zinc/27/14/13/384271413.db2.gz RKOGUAZEVPQRQL-UHFFFAOYSA-N 0 3 246.310 3.135 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000153342844 201231335 /nfs/dbraw/zinc/23/13/35/201231335.db2.gz QDQNNCFSTSFVGT-AXFHLTTASA-N 0 3 224.373 3.394 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000153342937 201231626 /nfs/dbraw/zinc/23/16/26/201231626.db2.gz QDQNNCFSTSFVGT-MXWKQRLJSA-N 0 3 224.373 3.394 20 30 BGEDHN 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219.328 3.140 20 30 BGEDHN C=C(C)CNCc1cccc(Cl)c1F ZINC000153398446 360770558 /nfs/dbraw/zinc/77/05/58/360770558.db2.gz CWBNWRKKPLFIFJ-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000153449074 388975408 /nfs/dbraw/zinc/97/54/08/388975408.db2.gz KCZWTCWOBGPSAV-LBPRGKRZSA-N 0 3 232.327 3.162 20 30 BGEDHN CC(C)C[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000153449175 388975126 /nfs/dbraw/zinc/97/51/26/388975126.db2.gz KCZWTCWOBGPSAV-GFCCVEGCSA-N 0 3 232.327 3.162 20 30 BGEDHN CC(C)CC1(CNCc2ccc(C#N)o2)CCC1 ZINC000153588519 326102914 /nfs/dbraw/zinc/10/29/14/326102914.db2.gz GHSLMZMSCTXJHL-UHFFFAOYSA-N 0 3 246.354 3.457 20 30 BGEDHN CCN(Cc1ccc(C#N)s1)C1CCCC1 ZINC000153677069 346305199 /nfs/dbraw/zinc/30/51/99/346305199.db2.gz KILZTJYBCHFJJD-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN CCN(Cc1ccc(C#N)s1)CC(C)C ZINC000153693506 326108089 /nfs/dbraw/zinc/10/80/89/326108089.db2.gz YAXVQJWKMXOKJH-UHFFFAOYSA-N 0 3 222.357 3.098 20 30 BGEDHN C=CCN1CCC(C)(c2ccccc2)CC1 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ZINC000156143418 384805579 /nfs/dbraw/zinc/80/55/79/384805579.db2.gz GIAWOLOFLRPGRN-UHFFFAOYSA-N 0 3 231.314 3.050 20 30 BGEDHN CN(CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000156233217 384822595 /nfs/dbraw/zinc/82/25/95/384822595.db2.gz PRHKBSSZUKSINJ-UHFFFAOYSA-N 0 3 233.742 3.033 20 30 BGEDHN CCN(CC#Cc1cccc(Cl)c1)C(C)C ZINC000156272262 326225756 /nfs/dbraw/zinc/22/57/56/326225756.db2.gz IGXURJRIFGZNEQ-UHFFFAOYSA-N 0 3 235.758 3.422 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccco1 ZINC000156603388 191085983 /nfs/dbraw/zinc/08/59/83/191085983.db2.gz QHZFFRPSGXEXQO-XQQFMLRXSA-N 0 3 237.343 3.157 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)N[C@@H](COC)c1ccco1 ZINC000156603505 188155175 /nfs/dbraw/zinc/15/51/75/188155175.db2.gz QHZFFRPSGXEXQO-UPJWGTAASA-N 0 3 237.343 3.157 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccco1 ZINC000156603621 187296570 /nfs/dbraw/zinc/29/65/70/187296570.db2.gz QHZFFRPSGXEXQO-AVGNSLFASA-N 0 3 237.343 3.157 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)N[C@@H](COC)c1ccco1 ZINC000156603724 187296711 /nfs/dbraw/zinc/29/67/11/187296711.db2.gz QHZFFRPSGXEXQO-AGIUHOORSA-N 0 3 237.343 3.157 20 30 BGEDHN CCC(CC)CN(CCC#N)CC1CC1 ZINC000156629731 388013225 /nfs/dbraw/zinc/01/32/25/388013225.db2.gz YBICBOMAKWWAIB-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CC#CCCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000156632926 384900458 /nfs/dbraw/zinc/90/04/58/384900458.db2.gz SSULJZCZRBQVNF-CYBMUJFWSA-N 0 3 248.395 3.174 20 30 BGEDHN CC#CCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000156633058 187296600 /nfs/dbraw/zinc/29/66/00/187296600.db2.gz SSULJZCZRBQVNF-ZDUSSCGKSA-N 0 3 248.395 3.174 20 30 BGEDHN C=CCC[C@H](CC)N[C@@H](COC)c1ccco1 ZINC000156673501 166302369 /nfs/dbraw/zinc/30/23/69/166302369.db2.gz DXOTXAZNDUSRQY-STQMWFEESA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@@H](CC)N[C@@H](COC)c1ccco1 ZINC000156673633 166295654 /nfs/dbraw/zinc/29/56/54/166295654.db2.gz DXOTXAZNDUSRQY-OLZOCXBDSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](CC)N[C@H](COC)c1ccco1 ZINC000156673760 166301523 /nfs/dbraw/zinc/30/15/23/166301523.db2.gz DXOTXAZNDUSRQY-QWHCGFSZSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@@H](CC)N[C@H](COC)c1ccco1 ZINC000156673893 166296044 /nfs/dbraw/zinc/29/60/44/166296044.db2.gz DXOTXAZNDUSRQY-CHWSQXEVSA-N 0 3 237.343 3.302 20 30 BGEDHN C#CCCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156724565 384929929 /nfs/dbraw/zinc/92/99/29/384929929.db2.gz VTOWBOMSEUVVQX-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C#CCCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156724722 188155691 /nfs/dbraw/zinc/15/56/91/188155691.db2.gz VTOWBOMSEUVVQX-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN C[C@H](N(C)CC#Cc1ccc(F)cc1)C1(C)CC1 ZINC000156726217 388027033 /nfs/dbraw/zinc/02/70/33/388027033.db2.gz SCBUPPRMKQTUQP-ZDUSSCGKSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H](N(C)CC#Cc1ccc(F)cc1)C1(C)CC1 ZINC000156726358 388025814 /nfs/dbraw/zinc/02/58/14/388025814.db2.gz SCBUPPRMKQTUQP-CYBMUJFWSA-N 0 3 245.341 3.298 20 30 BGEDHN C=C(C)COCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156734001 632401411 /nfs/dbraw/zinc/40/14/11/632401411.db2.gz UNVIGEYLBINWKY-AWEZNQCLSA-N 0 3 249.354 3.026 20 30 BGEDHN C=C(C)COCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156734096 632400960 /nfs/dbraw/zinc/40/09/60/632400960.db2.gz UNVIGEYLBINWKY-CQSZACIVSA-N 0 3 249.354 3.026 20 30 BGEDHN CC#CCCN([C@@H](C)c1ccco1)C1CC1 ZINC000156759792 384934386 /nfs/dbraw/zinc/93/43/86/384934386.db2.gz LZQOSESNZREZOO-LBPRGKRZSA-N 0 3 217.312 3.218 20 30 BGEDHN CC#CCCN([C@H](C)c1ccco1)C1CC1 ZINC000156759945 384930213 /nfs/dbraw/zinc/93/02/13/384930213.db2.gz LZQOSESNZREZOO-GFCCVEGCSA-N 0 3 217.312 3.218 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000156861085 386645639 /nfs/dbraw/zinc/64/56/39/386645639.db2.gz FGPQAJFAGDMJNC-BETUJISGSA-N 0 3 231.314 3.050 20 30 BGEDHN C[C@H]1CC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000156861221 388043492 /nfs/dbraw/zinc/04/34/92/388043492.db2.gz FGPQAJFAGDMJNC-STQMWFEESA-N 0 3 231.314 3.050 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000156861373 323154245 /nfs/dbraw/zinc/15/42/45/323154245.db2.gz FGPQAJFAGDMJNC-CHWSQXEVSA-N 0 3 231.314 3.050 20 30 BGEDHN Fc1ccc(C#CCN2CCC3(CCC3)C2)cc1 ZINC000156868958 191087172 /nfs/dbraw/zinc/08/71/72/191087172.db2.gz LVHURIAJWCWECW-UHFFFAOYSA-N 0 3 243.325 3.053 20 30 BGEDHN C=C(Cl)CNC[C@H](C)c1ccccc1 ZINC000156869299 384996193 /nfs/dbraw/zinc/99/61/93/384996193.db2.gz YSXYUOHDCBOXTF-JTQLQIEISA-N 0 3 209.720 3.132 20 30 BGEDHN C=C(Cl)CNC[C@@H](C)c1ccccc1 ZINC000156869433 384996384 /nfs/dbraw/zinc/99/63/84/384996384.db2.gz YSXYUOHDCBOXTF-SNVBAGLBSA-N 0 3 209.720 3.132 20 30 BGEDHN C=CCOc1ccccc1CN(CC)CC ZINC000156921185 326248994 /nfs/dbraw/zinc/24/89/94/326248994.db2.gz XYTAXPIREOVNMI-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCCOCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000156946937 166271012 /nfs/dbraw/zinc/27/10/12/166271012.db2.gz MWONNHYGOPZTQE-AWEZNQCLSA-N 0 3 249.354 3.026 20 30 BGEDHN C=CCCOCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000156947079 166270399 /nfs/dbraw/zinc/27/03/99/166270399.db2.gz MWONNHYGOPZTQE-CQSZACIVSA-N 0 3 249.354 3.026 20 30 BGEDHN CCN(Cc1ccc(C#N)o1)C1CCCCC1 ZINC000156949481 371510424 /nfs/dbraw/zinc/51/04/24/371510424.db2.gz BBMVZDWPMCOTJD-UHFFFAOYSA-N 0 3 232.327 3.306 20 30 BGEDHN CC(C)[C@@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000156979680 167371681 /nfs/dbraw/zinc/37/16/81/167371681.db2.gz ZCKOHASHLJKPBI-LLVKDONJSA-N 0 3 232.327 3.160 20 30 BGEDHN CC(C)[C@H](C)N(Cc1ccc(C#N)o1)C1CC1 ZINC000156979832 188333814 /nfs/dbraw/zinc/33/38/14/188333814.db2.gz ZCKOHASHLJKPBI-NSHDSACASA-N 0 3 232.327 3.160 20 30 BGEDHN CCCN(C)CC#Cc1cccc(Cl)c1 ZINC000157136869 387748146 /nfs/dbraw/zinc/74/81/46/387748146.db2.gz UHLIRVAPVKAYQQ-UHFFFAOYSA-N 0 3 221.731 3.033 20 30 BGEDHN CC#CCCN(C)Cc1cccc(OC(C)C)c1 ZINC000157144764 326258845 /nfs/dbraw/zinc/25/88/45/326258845.db2.gz CETFTLFWBGDJBJ-UHFFFAOYSA-N 0 3 245.366 3.319 20 30 BGEDHN CN(CC#Cc1ccc(F)cc1)CC1CCCC1 ZINC000157151192 326258767 /nfs/dbraw/zinc/25/87/67/326258767.db2.gz RGYLRKDPYKIIFM-UHFFFAOYSA-N 0 3 245.341 3.299 20 30 BGEDHN C#CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000157179584 385097885 /nfs/dbraw/zinc/09/78/85/385097885.db2.gz HDPKTIMTWSCKSN-ZDUSSCGKSA-N 0 3 236.318 3.032 20 30 BGEDHN C#CCN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000157179738 385098196 /nfs/dbraw/zinc/09/81/96/385098196.db2.gz HDPKTIMTWSCKSN-CYBMUJFWSA-N 0 3 236.318 3.032 20 30 BGEDHN C#CCN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000157192250 632415276 /nfs/dbraw/zinc/41/52/76/632415276.db2.gz YVOSWYMXRIZVIW-GFCCVEGCSA-N 0 3 233.380 3.471 20 30 BGEDHN C#CCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000157192381 632415337 /nfs/dbraw/zinc/41/53/37/632415337.db2.gz YVOSWYMXRIZVIW-LBPRGKRZSA-N 0 3 233.380 3.471 20 30 BGEDHN C#CCN[C@@H](CC(C)C)c1cccs1 ZINC000157194060 641614993 /nfs/dbraw/zinc/61/49/93/641614993.db2.gz NDAYLJIVAHYDKY-NSHDSACASA-N 0 3 207.342 3.058 20 30 BGEDHN C#CCN[C@H](CC(C)C)c1cccs1 ZINC000157194203 641615986 /nfs/dbraw/zinc/61/59/86/641615986.db2.gz NDAYLJIVAHYDKY-LLVKDONJSA-N 0 3 207.342 3.058 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000157222790 345249237 /nfs/dbraw/zinc/24/92/37/345249237.db2.gz WYFZXDRZXAYSFZ-UWVGGRQHSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000157222929 191091218 /nfs/dbraw/zinc/09/12/18/191091218.db2.gz WYFZXDRZXAYSFZ-ZJUUUORDSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000157223070 345249694 /nfs/dbraw/zinc/24/96/94/345249694.db2.gz WYFZXDRZXAYSFZ-VHSXEESVSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000157223216 345249764 /nfs/dbraw/zinc/24/97/64/345249764.db2.gz WYFZXDRZXAYSFZ-NXEZZACHSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000157235839 397933095 /nfs/dbraw/zinc/93/30/95/397933095.db2.gz WKFSBTCZZWLBKG-CMPLNLGQSA-N 0 3 219.353 3.388 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCSc2ccccc21 ZINC000157235977 385120822 /nfs/dbraw/zinc/12/08/22/385120822.db2.gz WKFSBTCZZWLBKG-ZYHUDNBSSA-N 0 3 219.353 3.388 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCSc2ccccc21 ZINC000157236117 385119660 /nfs/dbraw/zinc/11/96/60/385119660.db2.gz WKFSBTCZZWLBKG-JQWIXIFHSA-N 0 3 219.353 3.388 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCSc2ccccc21 ZINC000157236263 397933349 /nfs/dbraw/zinc/93/33/49/397933349.db2.gz WKFSBTCZZWLBKG-PWSUYJOCSA-N 0 3 219.353 3.388 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000157237055 385120910 /nfs/dbraw/zinc/12/09/10/385120910.db2.gz YUAQJNYYBREXKP-UWVGGRQHSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000157237199 385106843 /nfs/dbraw/zinc/10/68/43/385106843.db2.gz YUAQJNYYBREXKP-ZJUUUORDSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000157237333 385119573 /nfs/dbraw/zinc/11/95/73/385119573.db2.gz YUAQJNYYBREXKP-VHSXEESVSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000157237462 385119444 /nfs/dbraw/zinc/11/94/44/385119444.db2.gz YUAQJNYYBREXKP-NXEZZACHSA-N 0 3 223.291 3.059 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000157245930 385120272 /nfs/dbraw/zinc/12/02/72/385120272.db2.gz UXVGSBSEFBXYKH-NWDGAFQWSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000157246065 385122974 /nfs/dbraw/zinc/12/29/74/385122974.db2.gz UXVGSBSEFBXYKH-RYUDHWBXSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000157246217 385124038 /nfs/dbraw/zinc/12/40/38/385124038.db2.gz UXVGSBSEFBXYKH-VXGBXAGGSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000157246361 385124383 /nfs/dbraw/zinc/12/43/83/385124383.db2.gz UXVGSBSEFBXYKH-NEPJUHHUSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000157257745 387776257 /nfs/dbraw/zinc/77/62/57/387776257.db2.gz IBEOFLZKDJMGQA-IUCAKERBSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000157257886 387776534 /nfs/dbraw/zinc/77/65/34/387776534.db2.gz IBEOFLZKDJMGQA-BDAKNGLRSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000157258019 387775592 /nfs/dbraw/zinc/77/55/92/387775592.db2.gz IBEOFLZKDJMGQA-DTWKUNHWSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000157258203 387776095 /nfs/dbraw/zinc/77/60/95/387776095.db2.gz IBEOFLZKDJMGQA-RKDXNWHRSA-N 0 3 211.255 3.190 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(C)cc1OC ZINC000157269488 538815977 /nfs/dbraw/zinc/81/59/77/538815977.db2.gz SMPIZCQOHRHUGD-NWDGAFQWSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C)cc1OC ZINC000157269646 538815951 /nfs/dbraw/zinc/81/59/51/538815951.db2.gz SMPIZCQOHRHUGD-RYUDHWBXSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C)cc1OC ZINC000157269793 538814978 /nfs/dbraw/zinc/81/49/78/538814978.db2.gz SMPIZCQOHRHUGD-VXGBXAGGSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C)cc1OC ZINC000157269931 538814376 /nfs/dbraw/zinc/81/43/76/538814376.db2.gz SMPIZCQOHRHUGD-NEPJUHHUSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000157270084 384460202 /nfs/dbraw/zinc/46/02/02/384460202.db2.gz MJCASRPVBFFYPE-GXSJLCMTSA-N 0 3 207.342 3.290 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000157270238 385122724 /nfs/dbraw/zinc/12/27/24/385122724.db2.gz MJCASRPVBFFYPE-MWLCHTKSSA-N 0 3 207.342 3.290 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2sccc21 ZINC000157270368 385123398 /nfs/dbraw/zinc/12/33/98/385123398.db2.gz MJCASRPVBFFYPE-ONGXEEELSA-N 0 3 207.342 3.290 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000157270523 385122870 /nfs/dbraw/zinc/12/28/70/385122870.db2.gz MJCASRPVBFFYPE-KOLCDFICSA-N 0 3 207.342 3.290 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC000157281932 387780372 /nfs/dbraw/zinc/78/03/72/387780372.db2.gz MGODHFJKYCYNBN-GWCFXTLKSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccc(F)cc1 ZINC000157282083 387778244 /nfs/dbraw/zinc/77/82/44/387778244.db2.gz MGODHFJKYCYNBN-GXFFZTMASA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC000157282234 385127590 /nfs/dbraw/zinc/12/75/90/385127590.db2.gz MGODHFJKYCYNBN-MFKMUULPSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(F)cc1 ZINC000157282403 385973483 /nfs/dbraw/zinc/97/34/83/385973483.db2.gz MGODHFJKYCYNBN-ZWNOBZJWSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccccc1OC ZINC000157288380 534670121 /nfs/dbraw/zinc/67/01/21/534670121.db2.gz AMEPRSVPPSTWCO-AAEUAGOBSA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccccc1OC ZINC000157288531 385141922 /nfs/dbraw/zinc/14/19/22/385141922.db2.gz AMEPRSVPPSTWCO-WCQYABFASA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccccc1OC ZINC000157288672 385129813 /nfs/dbraw/zinc/12/98/13/385129813.db2.gz AMEPRSVPPSTWCO-YPMHNXCESA-N 0 3 219.328 3.310 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccccc1OC ZINC000157288813 385130610 /nfs/dbraw/zinc/13/06/10/385130610.db2.gz AMEPRSVPPSTWCO-DGCLKSJQSA-N 0 3 219.328 3.310 20 30 BGEDHN CCCCCCCCN(C)Cc1cnn(C)c1 ZINC000157344325 641617751 /nfs/dbraw/zinc/61/77/51/641617751.db2.gz CKLMZJTWBLOZIC-UHFFFAOYSA-N 0 3 237.391 3.212 20 30 BGEDHN C=CCN(CCCSC)Cc1cccs1 ZINC000157432799 385177843 /nfs/dbraw/zinc/17/78/43/385177843.db2.gz XIZXLMIOMLMZJV-UHFFFAOYSA-N 0 3 241.425 3.489 20 30 BGEDHN C=C(Br)CN[C@H]1CCCC(C)(C)C1 ZINC000157460498 371551426 /nfs/dbraw/zinc/55/14/26/371551426.db2.gz BTYDCHSQBWMKGK-JTQLQIEISA-N 0 3 246.192 3.453 20 30 BGEDHN C=C(Br)CN[C@@H]1CCCC(C)(C)C1 ZINC000157460654 371551776 /nfs/dbraw/zinc/55/17/76/371551776.db2.gz BTYDCHSQBWMKGK-SNVBAGLBSA-N 0 3 246.192 3.453 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000157461254 346382952 /nfs/dbraw/zinc/38/29/52/346382952.db2.gz CEGDIVJSUUHUNR-LLVKDONJSA-N 0 3 234.368 3.384 20 30 BGEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000157461415 388835738 /nfs/dbraw/zinc/83/57/38/388835738.db2.gz CEGDIVJSUUHUNR-NSHDSACASA-N 0 3 234.368 3.384 20 30 BGEDHN C=CCCCCCN(C)C/C=C/Cl ZINC000157461757 711828012 /nfs/dbraw/zinc/82/80/12/711828012.db2.gz DNYJEMUUNYFAOE-CMDGGOBGSA-N 0 3 201.741 3.417 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000157466399 326276511 /nfs/dbraw/zinc/27/65/11/326276511.db2.gz IBJYGWVAMABDOA-GFCCVEGCSA-N 0 3 234.368 3.384 20 30 BGEDHN CC[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000157466562 326276534 /nfs/dbraw/zinc/27/65/34/326276534.db2.gz IBJYGWVAMABDOA-LBPRGKRZSA-N 0 3 234.368 3.384 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C1CCCCC1 ZINC000157505532 384138450 /nfs/dbraw/zinc/13/84/50/384138450.db2.gz FNFGZVLCMLURIN-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN CN(Cc1cc(C#N)cs1)C1CCCCC1 ZINC000157510463 326279517 /nfs/dbraw/zinc/27/95/17/326279517.db2.gz SCTGTHIIKDPNFP-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN CC#CCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000157572964 326284195 /nfs/dbraw/zinc/28/41/95/326284195.db2.gz RVRXKEVPHVQEHK-UHFFFAOYSA-N 0 3 239.721 3.324 20 30 BGEDHN C=CCN(CCCSC)Cc1ccccc1 ZINC000157620519 385233899 /nfs/dbraw/zinc/23/38/99/385233899.db2.gz FJSPLZRYTVIZOX-UHFFFAOYSA-N 0 3 235.396 3.428 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000157694669 342820269 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LBKXKMXOPUGAJN-UHFFFAOYSA-N 0 3 236.384 3.207 20 30 BGEDHN C=C(C)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157937608 191097695 /nfs/dbraw/zinc/09/76/95/191097695.db2.gz DCPUVYJZVNUAOW-LLVKDONJSA-N 0 3 235.375 3.173 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157937737 385306780 /nfs/dbraw/zinc/30/67/80/385306780.db2.gz DCPUVYJZVNUAOW-NSHDSACASA-N 0 3 235.375 3.173 20 30 BGEDHN C[C@@H](c1cccc(O)c1)N(C)CCC(C)(C)C#N ZINC000157972811 176018936 /nfs/dbraw/zinc/01/89/36/176018936.db2.gz AYYAJZRFKYYBBH-LBPRGKRZSA-N 0 3 246.354 3.325 20 30 BGEDHN C[C@H](c1cccc(O)c1)N(C)CCC(C)(C)C#N ZINC000157972945 177036840 /nfs/dbraw/zinc/03/68/40/177036840.db2.gz AYYAJZRFKYYBBH-GFCCVEGCSA-N 0 3 246.354 3.325 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)s2)C1 ZINC000158022546 177314353 /nfs/dbraw/zinc/31/43/53/177314353.db2.gz MIWTUBGLTMYUHC-PHIMTYICSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)s2)C1 ZINC000158022693 177358564 /nfs/dbraw/zinc/35/85/64/177358564.db2.gz MIWTUBGLTMYUHC-QWRGUYRKSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)s2)C1 ZINC000158022833 176361657 /nfs/dbraw/zinc/36/16/57/176361657.db2.gz MIWTUBGLTMYUHC-GHMZBOCLSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2cc(C#N)cs2)C1 ZINC000158034494 326305283 /nfs/dbraw/zinc/30/52/83/326305283.db2.gz FXRDMPNFJPEMAP-PHIMTYICSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2cc(C#N)cs2)C1 ZINC000158034640 326305300 /nfs/dbraw/zinc/30/53/00/326305300.db2.gz FXRDMPNFJPEMAP-QWRGUYRKSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2cc(C#N)cs2)C1 ZINC000158034786 326305367 /nfs/dbraw/zinc/30/53/67/326305367.db2.gz FXRDMPNFJPEMAP-GHMZBOCLSA-N 0 3 234.368 3.098 20 30 BGEDHN CCCN(CCC)Cc1ccc(C#N)s1 ZINC000158054470 169148424 /nfs/dbraw/zinc/14/84/24/169148424.db2.gz KUDXKBPLTGXVTR-UHFFFAOYSA-N 0 3 222.357 3.242 20 30 BGEDHN CCCN(CCC)Cc1cc(C#N)cs1 ZINC000158057601 326306253 /nfs/dbraw/zinc/30/62/53/326306253.db2.gz JOLFCNQXERYALO-UHFFFAOYSA-N 0 3 222.357 3.242 20 30 BGEDHN C=C(C)CN1CC[C@H](c2ccccc2OC)C1 ZINC000158071915 188331409 /nfs/dbraw/zinc/33/14/09/188331409.db2.gz ZLDPWFWOJDZJRT-ZDUSSCGKSA-N 0 3 231.339 3.061 20 30 BGEDHN C=C(C)CN1CC[C@@H](c2ccccc2OC)C1 ZINC000158072061 385324667 /nfs/dbraw/zinc/32/46/67/385324667.db2.gz ZLDPWFWOJDZJRT-CYBMUJFWSA-N 0 3 231.339 3.061 20 30 BGEDHN CC(C)(C)CCNCc1ccc(C#N)cc1F ZINC000158087505 384822496 /nfs/dbraw/zinc/82/24/96/384822496.db2.gz LAIMCWKUGGAFNP-UHFFFAOYSA-N 0 3 234.318 3.223 20 30 BGEDHN CCC(CC)CNCc1ccc(C#N)cc1F ZINC000158096072 385204699 /nfs/dbraw/zinc/20/46/99/385204699.db2.gz SQJRBDSEMFLLLT-UHFFFAOYSA-N 0 3 234.318 3.223 20 30 BGEDHN CCC1(NCc2ccc(C#N)cc2F)CCC1 ZINC000158113274 385224210 /nfs/dbraw/zinc/22/42/10/385224210.db2.gz VIWJEVDWOGZTSJ-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN C=CCN(CC=C)Cc1ccc2ncccc2c1 ZINC000158128779 326309923 /nfs/dbraw/zinc/30/99/23/326309923.db2.gz YXXIXYXKWHFSLB-UHFFFAOYSA-N 0 3 238.334 3.409 20 30 BGEDHN C=CCN(CC=C)Cc1cccc2[nH]ccc21 ZINC000158145435 326310082 /nfs/dbraw/zinc/31/00/82/326310082.db2.gz XQEDPLFZVNTKNM-UHFFFAOYSA-N 0 3 226.323 3.342 20 30 BGEDHN CC[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000158179852 387936741 /nfs/dbraw/zinc/93/67/41/387936741.db2.gz OAEJPEHXVAYYLW-GFCCVEGCSA-N 0 3 235.758 3.422 20 30 BGEDHN CC[C@H](C)N(C)CC#Cc1cccc(Cl)c1 ZINC000158179988 387937356 /nfs/dbraw/zinc/93/73/56/387937356.db2.gz OAEJPEHXVAYYLW-LBPRGKRZSA-N 0 3 235.758 3.422 20 30 BGEDHN CC1(C)CCC(CNCc2ccc(C#N)o2)CC1 ZINC000158188516 385250173 /nfs/dbraw/zinc/25/01/73/385250173.db2.gz QYODITYIWADCEJ-UHFFFAOYSA-N 0 3 246.354 3.457 20 30 BGEDHN CC1(C)CCCN1CC#Cc1ccc(F)cc1 ZINC000158208880 387940647 /nfs/dbraw/zinc/94/06/47/387940647.db2.gz HYAJADNRBFCRPV-UHFFFAOYSA-N 0 3 231.314 3.052 20 30 BGEDHN CC#CCCNCc1ccc(OCCCC)cc1 ZINC000158306427 387794880 /nfs/dbraw/zinc/79/48/80/387794880.db2.gz AONCOABGPFTQQD-UHFFFAOYSA-N 0 3 245.366 3.369 20 30 BGEDHN CC#CCCNCc1c(C)oc2ccccc21 ZINC000158354940 345323165 /nfs/dbraw/zinc/32/31/65/345323165.db2.gz RCZYJQKGAJXCDZ-UHFFFAOYSA-N 0 3 227.307 3.244 20 30 BGEDHN CCCN(CCC)Cc1cc(F)ccc1C#N ZINC000158413961 169149726 /nfs/dbraw/zinc/14/97/26/169149726.db2.gz VCIARMGCOJGAAH-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCN(Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000158505840 344665442 /nfs/dbraw/zinc/66/54/42/344665442.db2.gz UPNFFAYJLOXQPK-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C=CCN(CCCOCC)Cc1cccs1 ZINC000158523640 345344769 /nfs/dbraw/zinc/34/47/69/345344769.db2.gz VTYZUGAVWPFVHQ-UHFFFAOYSA-N 0 3 239.384 3.163 20 30 BGEDHN C#CCN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158650949 641643471 /nfs/dbraw/zinc/64/34/71/641643471.db2.gz TZSZPLHDHYPODR-CYBMUJFWSA-N 0 3 217.312 3.138 20 30 BGEDHN N#Cc1cccc(SCCN2CCCCC2)c1 ZINC000158685984 326337255 /nfs/dbraw/zinc/33/72/55/326337255.db2.gz OTBKKJKKSQCOSN-UHFFFAOYSA-N 0 3 246.379 3.136 20 30 BGEDHN C=CCOc1ccccc1CN(C)C(C)C ZINC000158718646 326340344 /nfs/dbraw/zinc/34/03/44/326340344.db2.gz ZROPTFSJSIEPMG-UHFFFAOYSA-N 0 3 219.328 3.092 20 30 BGEDHN C=C(Cl)CN[C@H]1CCCC(C)(C)C1 ZINC000158907991 345833595 /nfs/dbraw/zinc/83/35/95/345833595.db2.gz OSMSUXUFNMOALP-JTQLQIEISA-N 0 3 201.741 3.297 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCCC(C)(C)C1 ZINC000158908153 345834043 /nfs/dbraw/zinc/83/40/43/345834043.db2.gz OSMSUXUFNMOALP-SNVBAGLBSA-N 0 3 201.741 3.297 20 30 BGEDHN C=C[C@H](C)NCc1coc2ccccc12 ZINC000158934750 361216554 /nfs/dbraw/zinc/21/65/54/361216554.db2.gz IBNGCSWELHBOFX-JTQLQIEISA-N 0 3 201.269 3.097 20 30 BGEDHN C=C[C@@H](C)NCc1coc2ccccc12 ZINC000158934890 361216080 /nfs/dbraw/zinc/21/60/80/361216080.db2.gz IBNGCSWELHBOFX-SNVBAGLBSA-N 0 3 201.269 3.097 20 30 BGEDHN N#Cc1ccc(CN2CCCCCCC2)s1 ZINC000158964207 384568274 /nfs/dbraw/zinc/56/82/74/384568274.db2.gz SXPFVCNZOJBOQK-UHFFFAOYSA-N 0 3 234.368 3.386 20 30 BGEDHN CCCCN(CC)Cc1ccc(C#N)s1 ZINC000158979853 384784163 /nfs/dbraw/zinc/78/41/63/384784163.db2.gz YZQXRSWPNBSSNP-UHFFFAOYSA-N 0 3 222.357 3.242 20 30 BGEDHN CCCCN(CC)Cc1cc(C#N)cs1 ZINC000158982975 323074487 /nfs/dbraw/zinc/07/44/87/323074487.db2.gz XXKXKRWSEIRAPJ-UHFFFAOYSA-N 0 3 222.357 3.242 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(F)cc(F)c1 ZINC000158987998 326347504 /nfs/dbraw/zinc/34/75/04/326347504.db2.gz VCLFHMCNGJUCKD-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=C(C)CN(CC)Cc1c(C)nn(CCC)c1C ZINC000158989681 384314011 /nfs/dbraw/zinc/31/40/11/384314011.db2.gz NENSYIBJJWYALA-UHFFFAOYSA-N 0 3 249.402 3.308 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158995125 326347519 /nfs/dbraw/zinc/34/75/19/326347519.db2.gz FAUKWGSJPQMXBU-UHFFFAOYSA-N 0 3 248.326 3.301 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc2cc(C)ccn12 ZINC000158997431 326347657 /nfs/dbraw/zinc/34/76/57/326347657.db2.gz KIDCQSHLNRIVAT-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(CC)o1 ZINC000158999540 326347443 /nfs/dbraw/zinc/34/74/43/326347443.db2.gz MIYFAJOZUULYSH-UHFFFAOYSA-N 0 3 207.317 3.240 20 30 BGEDHN C=C(C)CN(CC)CC1=Cc2ccccc2OC1 ZINC000159001497 326347680 /nfs/dbraw/zinc/34/76/80/326347680.db2.gz WMTFGKHPYVFQKV-UHFFFAOYSA-N 0 3 243.350 3.360 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc2c(C)cccn12 ZINC000159003540 326347966 /nfs/dbraw/zinc/34/79/66/326347966.db2.gz VIFPKHQLVHVIJU-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(C)oc1C ZINC000159004302 641661683 /nfs/dbraw/zinc/66/16/83/641661683.db2.gz AUWHMAOPPVZRBY-UHFFFAOYSA-N 0 3 207.317 3.294 20 30 BGEDHN C=C(C)CN(CC)Cc1sccc1C ZINC000159004737 326347995 /nfs/dbraw/zinc/34/79/95/326347995.db2.gz NJKFYSQMKHSCFZ-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C)s1 ZINC000159004883 326348048 /nfs/dbraw/zinc/34/80/48/326348048.db2.gz GQLJFYVSJMQPBC-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C=C(C)CN(CC)Cc1c[nH]nc1C(C)(C)C ZINC000159005839 326347930 /nfs/dbraw/zinc/34/79/30/326347930.db2.gz ZZKAGCDZBDKJKE-UHFFFAOYSA-N 0 3 235.375 3.105 20 30 BGEDHN C=C(C)C[N@H+](CC)Cc1cc(C)ccc1[O-] ZINC000159007976 191107686 /nfs/dbraw/zinc/10/76/86/191107686.db2.gz ULTLKSBCCQIUOW-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=C(C)C[N@@H+](CC)Cc1cc(C)ccc1[O-] ZINC000159007976 191107684 /nfs/dbraw/zinc/10/76/84/191107684.db2.gz ULTLKSBCCQIUOW-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=C(C)CN(CC)Cc1ccccc1NC(C)=O ZINC000159010264 191107051 /nfs/dbraw/zinc/10/70/51/191107051.db2.gz AJUHERDPPLIIKZ-UHFFFAOYSA-N 0 3 246.354 3.043 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(C#N)cs1 ZINC000159010871 326348013 /nfs/dbraw/zinc/34/80/13/326348013.db2.gz XCMQTTMSQVSOHN-UHFFFAOYSA-N 0 3 220.341 3.018 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc2ccc(C)cn12 ZINC000159015275 187298335 /nfs/dbraw/zinc/29/83/35/187298335.db2.gz JESZOICRYJPBRT-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=CCN(CCOCC1CC1)Cc1ccccc1 ZINC000159050830 345403778 /nfs/dbraw/zinc/40/37/78/345403778.db2.gz OOKYPQRZDOBFEF-UHFFFAOYSA-N 0 3 245.366 3.101 20 30 BGEDHN C=CCN(CCCOCC)Cc1ccccc1 ZINC000159051216 345403770 /nfs/dbraw/zinc/40/37/70/345403770.db2.gz VDQLDNBGKHPNQC-UHFFFAOYSA-N 0 3 233.355 3.101 20 30 BGEDHN CCOC(C)(C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000159297470 170314082 /nfs/dbraw/zinc/31/40/82/170314082.db2.gz MOAMOYGENSGOEZ-LBPRGKRZSA-N 0 3 246.354 3.024 20 30 BGEDHN CCOC(C)(C)CN[C@H](C)c1cccc(C#N)c1 ZINC000159297567 170313306 /nfs/dbraw/zinc/31/33/06/170313306.db2.gz MOAMOYGENSGOEZ-GFCCVEGCSA-N 0 3 246.354 3.024 20 30 BGEDHN CC#CCN(Cc1ccco1)C1CCCC1 ZINC000159369524 345428890 /nfs/dbraw/zinc/42/88/90/345428890.db2.gz DZPYHQBEJJJCIJ-UHFFFAOYSA-N 0 3 217.312 3.048 20 30 BGEDHN CCN(CCC1CCCC1)C[C@@H](C)C#N ZINC000159541817 388020625 /nfs/dbraw/zinc/02/06/25/388020625.db2.gz JIYJPKCWKYBFAH-LBPRGKRZSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(CCC1CCCC1)C[C@H](C)C#N ZINC000159541986 384444429 /nfs/dbraw/zinc/44/44/29/384444429.db2.gz JIYJPKCWKYBFAH-GFCCVEGCSA-N 0 3 208.349 3.048 20 30 BGEDHN C=CCCCN(C)CCC(=O)c1ccc(C)cc1 ZINC000159756150 323047051 /nfs/dbraw/zinc/04/70/51/323047051.db2.gz PXKHPUSEDGDRJD-UHFFFAOYSA-N 0 3 245.366 3.466 20 30 BGEDHN Cc1cccc([C@@H]2CCCN2CCCCC#N)n1 ZINC000159931911 345602136 /nfs/dbraw/zinc/60/21/36/345602136.db2.gz MTWHMQSNPWMUMV-HNNXBMFYSA-N 0 3 243.354 3.221 20 30 BGEDHN Cc1cccc([C@H]2CCCN2CCCCC#N)n1 ZINC000159932022 345689605 /nfs/dbraw/zinc/68/96/05/345689605.db2.gz MTWHMQSNPWMUMV-OAHLLOKOSA-N 0 3 243.354 3.221 20 30 BGEDHN CCCCCCCCCn1cc([C@@H](C)N)nn1 ZINC000160060155 711805569 /nfs/dbraw/zinc/80/55/69/711805569.db2.gz OGOPTYJRSVFBJI-GFCCVEGCSA-N 0 3 238.379 3.048 20 30 BGEDHN CCCCCCCCCn1cc([C@H](C)N)nn1 ZINC000160060284 711805509 /nfs/dbraw/zinc/80/55/09/711805509.db2.gz OGOPTYJRSVFBJI-LBPRGKRZSA-N 0 3 238.379 3.048 20 30 BGEDHN C=C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC000160165536 388050120 /nfs/dbraw/zinc/05/01/20/388050120.db2.gz RXGMUJRTOUOQTL-QMMMGPOBSA-N 0 3 213.683 3.143 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC000160165671 388049041 /nfs/dbraw/zinc/04/90/41/388049041.db2.gz RXGMUJRTOUOQTL-MRVPVSSYSA-N 0 3 213.683 3.143 20 30 BGEDHN Cc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000160235046 388055631 /nfs/dbraw/zinc/05/56/31/388055631.db2.gz UEUHBVYQXFUGFN-CYBMUJFWSA-N 0 3 228.339 3.340 20 30 BGEDHN Cc1cccc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000160259849 386187802 /nfs/dbraw/zinc/18/78/02/386187802.db2.gz UEUHBVYQXFUGFN-ZDUSSCGKSA-N 0 3 228.339 3.340 20 30 BGEDHN C=C(C)CN1CCC[C@H]1c1cccc(C)n1 ZINC000160359966 385555297 /nfs/dbraw/zinc/55/52/97/385555297.db2.gz FUDQDZLCLGQJMW-AWEZNQCLSA-N 0 3 216.328 3.103 20 30 BGEDHN C=C(C)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000160360072 385555218 /nfs/dbraw/zinc/55/52/18/385555218.db2.gz FUDQDZLCLGQJMW-CQSZACIVSA-N 0 3 216.328 3.103 20 30 BGEDHN CCCN(Cc1cc(F)ccc1C#N)CC1CC1 ZINC000160421218 386919098 /nfs/dbraw/zinc/91/90/98/386919098.db2.gz WMAWIGDIGAPLKB-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN N#Cc1cc(CN2CCCCCC2)ccc1F ZINC000160460629 181085177 /nfs/dbraw/zinc/08/51/77/181085177.db2.gz XIJJCXNBHBSGSS-UHFFFAOYSA-N 0 3 232.302 3.073 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000160465429 387037520 /nfs/dbraw/zinc/03/75/20/387037520.db2.gz ZMJGAUPLPPPEQD-CQSZACIVSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000160465540 387038352 /nfs/dbraw/zinc/03/83/52/387038352.db2.gz ZMJGAUPLPPPEQD-AWEZNQCLSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000160477696 388070822 /nfs/dbraw/zinc/07/08/22/388070822.db2.gz MHXMMJMZMGLECH-TXEJJXNPSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000160477824 387055996 /nfs/dbraw/zinc/05/59/96/387055996.db2.gz MHXMMJMZMGLECH-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000160477947 387055350 /nfs/dbraw/zinc/05/53/50/387055350.db2.gz MHXMMJMZMGLECH-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN N#Cc1cc(CN2CCCCCCC2)ccc1F ZINC000160497731 711808393 /nfs/dbraw/zinc/80/83/93/711808393.db2.gz CESBWCGODKHDTD-UHFFFAOYSA-N 0 3 246.329 3.463 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(F)c(C#N)c1 ZINC000160498104 323069424 /nfs/dbraw/zinc/06/94/24/323069424.db2.gz RFQWQEQIHBPUSB-UHFFFAOYSA-N 0 3 232.302 3.095 20 30 BGEDHN C=CCCCN(C)Cc1c(C)nc2ccccn21 ZINC000160512054 349018495 /nfs/dbraw/zinc/01/84/95/349018495.db2.gz QZZHPOITASTKRX-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=C(Br)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160557780 711808763 /nfs/dbraw/zinc/80/87/63/711808763.db2.gz AAZUWAJIVZYZMD-QWRGUYRKSA-N 0 3 244.176 3.160 20 30 BGEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000160752258 387517194 /nfs/dbraw/zinc/51/71/94/387517194.db2.gz AMYSERHKKCTNHU-UHFFFAOYSA-N 0 3 232.302 3.070 20 30 BGEDHN C=C(C)CN[C@H](C)c1cc(C)ccc1OC ZINC000160761281 353268150 /nfs/dbraw/zinc/26/81/50/353268150.db2.gz HEUOWPDGOGHFCP-GFCCVEGCSA-N 0 3 219.328 3.230 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cc(C)ccc1OC ZINC000160761402 384434949 /nfs/dbraw/zinc/43/49/49/384434949.db2.gz HEUOWPDGOGHFCP-LBPRGKRZSA-N 0 3 219.328 3.230 20 30 BGEDHN CCCCCCCCN[C@@H](C)c1cnccn1 ZINC000160778702 384437874 /nfs/dbraw/zinc/43/78/74/384437874.db2.gz LPUFYAJJHXNLET-ZDUSSCGKSA-N 0 3 235.375 3.488 20 30 BGEDHN CCCCCCCCN[C@H](C)c1cnccn1 ZINC000160778833 384437431 /nfs/dbraw/zinc/43/74/31/384437431.db2.gz LPUFYAJJHXNLET-CYBMUJFWSA-N 0 3 235.375 3.488 20 30 BGEDHN C#CCCCN[C@@H](C)c1ccccc1Cl ZINC000160788779 361328534 /nfs/dbraw/zinc/32/85/34/361328534.db2.gz CUTSTXXPOQEJRD-NSHDSACASA-N 0 3 221.731 3.404 20 30 BGEDHN C#CCCCN[C@H](C)c1ccccc1Cl ZINC000160788922 361328455 /nfs/dbraw/zinc/32/84/55/361328455.db2.gz CUTSTXXPOQEJRD-LLVKDONJSA-N 0 3 221.731 3.404 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000160818674 490193992 /nfs/dbraw/zinc/19/39/92/490193992.db2.gz MRRBHKGFXDCNAI-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000160818786 490193911 /nfs/dbraw/zinc/19/39/11/490193911.db2.gz MRRBHKGFXDCNAI-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN Cc1ccc(CN(C)CC(C)(C)CCC#N)o1 ZINC000160879258 384442916 /nfs/dbraw/zinc/44/29/16/384442916.db2.gz KVFSSTWXVLPNJQ-UHFFFAOYSA-N 0 3 234.343 3.350 20 30 BGEDHN CC(C)CCN(C)Cc1ccc(F)c(C#N)c1 ZINC000160936826 359401156 /nfs/dbraw/zinc/40/11/56/359401156.db2.gz NIFCZAPLPFWCGC-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C#CCCCN(C)Cc1ccc(Cl)s1 ZINC000161076958 166127646 /nfs/dbraw/zinc/12/76/46/166127646.db2.gz TXGBSQFIKMWLHK-UHFFFAOYSA-N 0 3 227.760 3.247 20 30 BGEDHN C#CCCCN1CCc2sccc2[C@H]1C ZINC000161080918 166130874 /nfs/dbraw/zinc/13/08/74/166130874.db2.gz HHAZGGYLJMTIPP-LLVKDONJSA-N 0 3 219.353 3.081 20 30 BGEDHN C#CCCCN1CCc2sccc2[C@@H]1C ZINC000161081057 166131338 /nfs/dbraw/zinc/13/13/38/166131338.db2.gz HHAZGGYLJMTIPP-NSHDSACASA-N 0 3 219.353 3.081 20 30 BGEDHN CC1(C)CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000161081263 360508250 /nfs/dbraw/zinc/50/82/50/360508250.db2.gz UOWFDIUIVQYVDN-NSHDSACASA-N 0 3 232.327 3.210 20 30 BGEDHN CC1(C)CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000161081405 360508474 /nfs/dbraw/zinc/50/84/74/360508474.db2.gz UOWFDIUIVQYVDN-LLVKDONJSA-N 0 3 232.327 3.210 20 30 BGEDHN C#CCCCN(C)[C@@H](C)c1ccccc1F ZINC000161099842 349372000 /nfs/dbraw/zinc/37/20/00/349372000.db2.gz OLZXNXRAEBUPPP-LBPRGKRZSA-N 0 3 219.303 3.232 20 30 BGEDHN C#CCCCN(C)[C@H](C)c1ccccc1F ZINC000161099966 345263174 /nfs/dbraw/zinc/26/31/74/345263174.db2.gz OLZXNXRAEBUPPP-GFCCVEGCSA-N 0 3 219.303 3.232 20 30 BGEDHN C[C@H](C#N)CNC1CCC2(CCCC2)CC1 ZINC000161365620 323506823 /nfs/dbraw/zinc/50/68/23/323506823.db2.gz NIVRPNMYQMNDEL-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](C#N)CNC1CCC2(CCCC2)CC1 ZINC000161365722 323506639 /nfs/dbraw/zinc/50/66/39/323506639.db2.gz NIVRPNMYQMNDEL-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000161651377 346353572 /nfs/dbraw/zinc/35/35/72/346353572.db2.gz RISMVRWSQULZFU-DTWKUNHWSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000161651496 346355337 /nfs/dbraw/zinc/35/53/37/346355337.db2.gz RISMVRWSQULZFU-IUCAKERBSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000161651615 346355287 /nfs/dbraw/zinc/35/52/87/346355287.db2.gz RISMVRWSQULZFU-RKDXNWHRSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000161651725 346355378 /nfs/dbraw/zinc/35/53/78/346355378.db2.gz RISMVRWSQULZFU-BDAKNGLRSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1nc(C)sc1C ZINC000161661683 538917520 /nfs/dbraw/zinc/91/75/20/538917520.db2.gz IARKBIPDPYLCQS-DTWKUNHWSA-N 0 3 224.373 3.375 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000161661776 538917440 /nfs/dbraw/zinc/91/74/40/538917440.db2.gz IARKBIPDPYLCQS-IUCAKERBSA-N 0 3 224.373 3.375 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1nc(C)sc1C ZINC000161661890 538917602 /nfs/dbraw/zinc/91/76/02/538917602.db2.gz IARKBIPDPYLCQS-RKDXNWHRSA-N 0 3 224.373 3.375 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000161661969 538917331 /nfs/dbraw/zinc/91/73/31/538917331.db2.gz IARKBIPDPYLCQS-BDAKNGLRSA-N 0 3 224.373 3.375 20 30 BGEDHN C=C(C)CN(C)CCC(=O)c1ccc(C)cc1 ZINC000161691004 349487221 /nfs/dbraw/zinc/48/72/21/349487221.db2.gz YCILWBCQTCTLHW-UHFFFAOYSA-N 0 3 231.339 3.076 20 30 BGEDHN COc1ccc([C@@H](NCCCC#N)C(C)C)cc1 ZINC000161698379 384516238 /nfs/dbraw/zinc/51/62/38/384516238.db2.gz JVOSUANFKNXKLA-HNNXBMFYSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccc([C@H](NCCCC#N)C(C)C)cc1 ZINC000161698506 384517314 /nfs/dbraw/zinc/51/73/14/384517314.db2.gz JVOSUANFKNXKLA-OAHLLOKOSA-N 0 3 246.354 3.286 20 30 BGEDHN C=CCCNCc1ccccc1OC(F)(F)F ZINC000161709230 487512815 /nfs/dbraw/zinc/51/28/15/487512815.db2.gz XJGHLCJEVZGEPG-UHFFFAOYSA-N 0 3 245.244 3.251 20 30 BGEDHN C=CCCNCc1cccc2c1OC(C)(C)C2 ZINC000161718205 487513851 /nfs/dbraw/zinc/51/38/51/487513851.db2.gz ODBZGPNPZPICPF-UHFFFAOYSA-N 0 3 231.339 3.066 20 30 BGEDHN C=CCCNCc1nc2ccccc2n1CCC ZINC000161740849 487516620 /nfs/dbraw/zinc/51/66/20/487516620.db2.gz HNFGBFHHDPQRFB-UHFFFAOYSA-N 0 3 243.354 3.112 20 30 BGEDHN C=C(Cl)CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000161741201 632908807 /nfs/dbraw/zinc/90/88/07/632908807.db2.gz AVYGCKJVKHKLPO-GFCCVEGCSA-N 0 3 242.149 3.149 20 30 BGEDHN C=C(Cl)CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000161741327 632908713 /nfs/dbraw/zinc/90/87/13/632908713.db2.gz AVYGCKJVKHKLPO-LBPRGKRZSA-N 0 3 242.149 3.149 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000161838409 201161148 /nfs/dbraw/zinc/16/11/48/201161148.db2.gz SQZCWEAIKFCQNJ-NEPJUHHUSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000161838555 201160688 /nfs/dbraw/zinc/16/06/88/201160688.db2.gz SQZCWEAIKFCQNJ-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN CC#CCN[C@@H](CCC)c1ccccc1 ZINC000161991723 361073958 /nfs/dbraw/zinc/07/39/58/361073958.db2.gz NWBKJIVNUAWPIE-AWEZNQCLSA-N 0 3 201.313 3.141 20 30 BGEDHN CC#CCN[C@H](CCC)c1ccccc1 ZINC000161991850 361074295 /nfs/dbraw/zinc/07/42/95/361074295.db2.gz NWBKJIVNUAWPIE-CQSZACIVSA-N 0 3 201.313 3.141 20 30 BGEDHN CC#CCN[C@@H](CC(C)C)c1ccccc1 ZINC000161993455 349530666 /nfs/dbraw/zinc/53/06/66/349530666.db2.gz FWLYLRVEGDNMLM-HNNXBMFYSA-N 0 3 215.340 3.387 20 30 BGEDHN CC#CCN[C@H](CC(C)C)c1ccccc1 ZINC000161993583 349530524 /nfs/dbraw/zinc/53/05/24/349530524.db2.gz FWLYLRVEGDNMLM-OAHLLOKOSA-N 0 3 215.340 3.387 20 30 BGEDHN CC#CCN[C@@H](CC)c1cccc(Cl)c1 ZINC000161998748 133516940 /nfs/dbraw/zinc/51/69/40/133516940.db2.gz XZCQHOYOVPGINE-ZDUSSCGKSA-N 0 3 221.731 3.404 20 30 BGEDHN CC#CCN[C@H](CC)c1cccc(Cl)c1 ZINC000161998880 361075473 /nfs/dbraw/zinc/07/54/73/361075473.db2.gz XZCQHOYOVPGINE-CYBMUJFWSA-N 0 3 221.731 3.404 20 30 BGEDHN CC#CCN[C@@H](C)c1ccc(SC)cc1 ZINC000162002441 361086006 /nfs/dbraw/zinc/08/60/06/361086006.db2.gz LHSXHKGJFQJKQM-NSHDSACASA-N 0 3 219.353 3.082 20 30 BGEDHN CC#CCN[C@H](C)c1ccc(SC)cc1 ZINC000162002562 361085717 /nfs/dbraw/zinc/08/57/17/361085717.db2.gz LHSXHKGJFQJKQM-LLVKDONJSA-N 0 3 219.353 3.082 20 30 BGEDHN C=CCCN[C@@H](C)c1ccc(F)cc1F ZINC000162151049 346355737 /nfs/dbraw/zinc/35/57/37/346355737.db2.gz VADRKGSZUSFODV-VIFPVBQESA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCCN[C@H](C)c1ccc(F)cc1F ZINC000162151176 361337868 /nfs/dbraw/zinc/33/78/68/361337868.db2.gz VADRKGSZUSFODV-SECBINFHSA-N 0 3 211.255 3.192 20 30 BGEDHN CN(Cc1ccco1)CC(C)(C)CCC#N ZINC000162187871 384587844 /nfs/dbraw/zinc/58/78/44/384587844.db2.gz GUVHIBSBRSZGJV-UHFFFAOYSA-N 0 3 220.316 3.041 20 30 BGEDHN C=CCCN[C@@H](C)c1c(F)cccc1F ZINC000162193101 345269524 /nfs/dbraw/zinc/26/95/24/345269524.db2.gz DGTWBHQZPMGCLE-VIFPVBQESA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCCN[C@H](C)c1c(F)cccc1F ZINC000162193214 345268471 /nfs/dbraw/zinc/26/84/71/345268471.db2.gz DGTWBHQZPMGCLE-SECBINFHSA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCCN[C@@H](C)c1cc(F)ccc1F ZINC000162196254 538921130 /nfs/dbraw/zinc/92/11/30/538921130.db2.gz OMRBGVSGGCIUIT-VIFPVBQESA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCCN[C@H](C)c1cc(F)ccc1F ZINC000162196379 538921134 /nfs/dbraw/zinc/92/11/34/538921134.db2.gz OMRBGVSGGCIUIT-SECBINFHSA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000162331030 634063379 /nfs/dbraw/zinc/06/33/79/634063379.db2.gz DPQKXUDNLGSMAE-LBPRGKRZSA-N 0 3 205.301 3.009 20 30 BGEDHN C=CCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000162331148 637316774 /nfs/dbraw/zinc/31/67/74/637316774.db2.gz DPQKXUDNLGSMAE-GFCCVEGCSA-N 0 3 205.301 3.009 20 30 BGEDHN C=CCCN[C@@H](C)c1c(F)cccc1OC ZINC000162397728 388162282 /nfs/dbraw/zinc/16/22/82/388162282.db2.gz SKMZKJIDSQRAEU-JTQLQIEISA-N 0 3 223.291 3.061 20 30 BGEDHN C=CCCN[C@H](C)c1c(F)cccc1OC ZINC000162397877 388162914 /nfs/dbraw/zinc/16/29/14/388162914.db2.gz SKMZKJIDSQRAEU-SNVBAGLBSA-N 0 3 223.291 3.061 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000162529346 387410631 /nfs/dbraw/zinc/41/06/31/387410631.db2.gz AQGBOJXHDVLJQM-KKUMJFAQSA-N 0 3 247.386 3.234 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@H]1NC[C@H](C#N)CCC#N ZINC000162529595 323076646 /nfs/dbraw/zinc/07/66/46/323076646.db2.gz AQGBOJXHDVLJQM-SOUVJXGZSA-N 0 3 247.386 3.234 20 30 BGEDHN C#C[C@H](CC)NCc1cccc(C(F)(F)F)c1 ZINC000162557714 634190705 /nfs/dbraw/zinc/19/07/05/634190705.db2.gz PWBPNUXLHFXIEB-GFCCVEGCSA-N 0 3 241.256 3.207 20 30 BGEDHN C#C[C@@H](CC)NCc1cccc(C(F)(F)F)c1 ZINC000162557809 634192236 /nfs/dbraw/zinc/19/22/36/634192236.db2.gz PWBPNUXLHFXIEB-LBPRGKRZSA-N 0 3 241.256 3.207 20 30 BGEDHN C=C(Cl)CN[C@@H](C)Cc1ccccc1F ZINC000162563640 361355705 /nfs/dbraw/zinc/35/57/05/361355705.db2.gz RPDROJYYSXXTNS-JTQLQIEISA-N 0 3 227.710 3.099 20 30 BGEDHN C=C(Cl)CN[C@H](C)Cc1ccccc1F ZINC000162563761 353323348 /nfs/dbraw/zinc/32/33/48/353323348.db2.gz RPDROJYYSXXTNS-SNVBAGLBSA-N 0 3 227.710 3.099 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000162586627 634217058 /nfs/dbraw/zinc/21/70/58/634217058.db2.gz JUXQFZRTFUFLQI-NWDGAFQWSA-N 0 3 245.794 3.168 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000162586731 634215898 /nfs/dbraw/zinc/21/58/98/634215898.db2.gz JUXQFZRTFUFLQI-RYUDHWBXSA-N 0 3 245.794 3.168 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000162586859 634216497 /nfs/dbraw/zinc/21/64/97/634216497.db2.gz JUXQFZRTFUFLQI-VXGBXAGGSA-N 0 3 245.794 3.168 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000162586979 634217331 /nfs/dbraw/zinc/21/73/31/634217331.db2.gz JUXQFZRTFUFLQI-NEPJUHHUSA-N 0 3 245.794 3.168 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000162588087 634216323 /nfs/dbraw/zinc/21/63/23/634216323.db2.gz SXURIGLUYVFBNN-NWDGAFQWSA-N 0 3 243.778 3.066 20 30 BGEDHN C=C(Cl)CN[C@H]1C[C@H](OCC)C12CCCC2 ZINC000162588219 634215793 /nfs/dbraw/zinc/21/57/93/634215793.db2.gz SXURIGLUYVFBNN-RYUDHWBXSA-N 0 3 243.778 3.066 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000162588334 634218526 /nfs/dbraw/zinc/21/85/26/634218526.db2.gz SXURIGLUYVFBNN-VXGBXAGGSA-N 0 3 243.778 3.066 20 30 BGEDHN C=C(Cl)CN[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000162588449 634218046 /nfs/dbraw/zinc/21/80/46/634218046.db2.gz SXURIGLUYVFBNN-NEPJUHHUSA-N 0 3 243.778 3.066 20 30 BGEDHN C#C[C@H](CC)NCc1ccccc1C(F)(F)F ZINC000162611179 634229401 /nfs/dbraw/zinc/22/94/01/634229401.db2.gz PBXLGQWSLCYIGK-LLVKDONJSA-N 0 3 241.256 3.207 20 30 BGEDHN C#C[C@@H](CC)NCc1ccccc1C(F)(F)F ZINC000162611293 634231692 /nfs/dbraw/zinc/23/16/92/634231692.db2.gz PBXLGQWSLCYIGK-NSHDSACASA-N 0 3 241.256 3.207 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(C(F)(F)F)cc1 ZINC000162611424 636035053 /nfs/dbraw/zinc/03/50/53/636035053.db2.gz ZNKGMKQCDKHOPT-GFCCVEGCSA-N 0 3 241.256 3.207 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(C(F)(F)F)cc1 ZINC000162611565 634231705 /nfs/dbraw/zinc/23/17/05/634231705.db2.gz ZNKGMKQCDKHOPT-LBPRGKRZSA-N 0 3 241.256 3.207 20 30 BGEDHN C=C[C@H](C)NCc1c(C)oc2ccccc21 ZINC000162694429 350413345 /nfs/dbraw/zinc/41/33/45/350413345.db2.gz CNKLOKURJWHLAO-JTQLQIEISA-N 0 3 215.296 3.405 20 30 BGEDHN C=C[C@@H](C)NCc1c(C)oc2ccccc21 ZINC000162694559 350413550 /nfs/dbraw/zinc/41/35/50/350413550.db2.gz CNKLOKURJWHLAO-SNVBAGLBSA-N 0 3 215.296 3.405 20 30 BGEDHN C=C[C@H](C)NCc1ccccc1C(F)(F)F ZINC000162694694 350413140 /nfs/dbraw/zinc/41/31/40/350413140.db2.gz WEOXQYYJENJXKR-VIFPVBQESA-N 0 3 229.245 3.370 20 30 BGEDHN C=C[C@@H](C)NCc1ccccc1C(F)(F)F ZINC000162694821 350413672 /nfs/dbraw/zinc/41/36/72/350413672.db2.gz WEOXQYYJENJXKR-SECBINFHSA-N 0 3 229.245 3.370 20 30 BGEDHN CC1(C)CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000162711196 371824779 /nfs/dbraw/zinc/82/47/79/371824779.db2.gz YIHLVOWDMHDBKX-ZDUSSCGKSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000162711288 371827041 /nfs/dbraw/zinc/82/70/41/371827041.db2.gz STCDBLVAWBKVDZ-YGRLFVJLSA-N 0 3 248.757 3.490 20 30 BGEDHN CC1(C)CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000162711308 343883840 /nfs/dbraw/zinc/88/38/40/343883840.db2.gz YIHLVOWDMHDBKX-CYBMUJFWSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000162711405 371826475 /nfs/dbraw/zinc/82/64/75/371826475.db2.gz STCDBLVAWBKVDZ-HZMBPMFUSA-N 0 3 248.757 3.490 20 30 BGEDHN C[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000162711528 371826270 /nfs/dbraw/zinc/82/62/70/371826270.db2.gz STCDBLVAWBKVDZ-QMTHXVAHSA-N 0 3 248.757 3.490 20 30 BGEDHN C[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000162711648 371826685 /nfs/dbraw/zinc/82/66/85/371826685.db2.gz STCDBLVAWBKVDZ-IINYFYTJSA-N 0 3 248.757 3.490 20 30 BGEDHN C[C@@H](NCC#Cc1ccccc1)C(C)(C)C ZINC000162741803 343206026 /nfs/dbraw/zinc/20/60/26/343206026.db2.gz CSPJTZMUDGZAPZ-CYBMUJFWSA-N 0 3 215.340 3.062 20 30 BGEDHN C=CC[C@H](C)NCc1nn(CC)c2ccccc12 ZINC000162760188 350416721 /nfs/dbraw/zinc/41/67/21/350416721.db2.gz UUESTSYANFUFOS-LBPRGKRZSA-N 0 3 243.354 3.110 20 30 BGEDHN C=CC[C@@H](C)NCc1nn(CC)c2ccccc12 ZINC000162760308 350417150 /nfs/dbraw/zinc/41/71/50/350417150.db2.gz UUESTSYANFUFOS-GFCCVEGCSA-N 0 3 243.354 3.110 20 30 BGEDHN C=C(CNCc1cnccc1C)c1ccccc1 ZINC000162765941 350429234 /nfs/dbraw/zinc/42/92/34/350429234.db2.gz LECFIBXSPAJLIG-UHFFFAOYSA-N 0 3 238.334 3.193 20 30 BGEDHN CCN(Cc1ccc(C#N)cc1Cl)C(C)C ZINC000162863398 371871659 /nfs/dbraw/zinc/87/16/59/371871659.db2.gz LBNKNHFPDZUIED-UHFFFAOYSA-N 0 3 236.746 3.442 20 30 BGEDHN CCCN(CC)Cc1ccc(C#N)cc1Cl ZINC000162863962 371869545 /nfs/dbraw/zinc/86/95/45/371869545.db2.gz ACKRHYNENCMOCO-UHFFFAOYSA-N 0 3 236.746 3.444 20 30 BGEDHN CC(C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000162864491 371870973 /nfs/dbraw/zinc/87/09/73/371870973.db2.gz FRDCRMZHHNTIPJ-UHFFFAOYSA-N 0 3 236.746 3.299 20 30 BGEDHN CC[C@@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162864641 371870853 /nfs/dbraw/zinc/87/08/53/371870853.db2.gz KZNCUGKCKOYGME-SNVBAGLBSA-N 0 3 236.746 3.442 20 30 BGEDHN CC[C@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000162864765 344444194 /nfs/dbraw/zinc/44/41/94/344444194.db2.gz KZNCUGKCKOYGME-JTQLQIEISA-N 0 3 236.746 3.442 20 30 BGEDHN C[C@@H](C1CC1)N(C)Cc1ccc(C#N)cc1Cl ZINC000162868454 324129046 /nfs/dbraw/zinc/12/90/46/324129046.db2.gz NFTXPABAJUNWQQ-JTQLQIEISA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@H](C1CC1)N(C)Cc1ccc(C#N)cc1Cl ZINC000162868566 324129104 /nfs/dbraw/zinc/12/91/04/324129104.db2.gz NFTXPABAJUNWQQ-SNVBAGLBSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162873134 371873524 /nfs/dbraw/zinc/87/35/24/371873524.db2.gz RTKWGLMAXRAFQV-SNVBAGLBSA-N 0 3 234.730 3.053 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162873239 371873249 /nfs/dbraw/zinc/87/32/49/371873249.db2.gz RTKWGLMAXRAFQV-JTQLQIEISA-N 0 3 234.730 3.053 20 30 BGEDHN CN(Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000162899803 398134817 /nfs/dbraw/zinc/13/48/17/398134817.db2.gz JCJFJTPJXJHSDH-UHFFFAOYSA-N 0 3 248.757 3.444 20 30 BGEDHN CCN(Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162910619 371880355 /nfs/dbraw/zinc/88/03/55/371880355.db2.gz QSKLBVRYTRFSRM-UHFFFAOYSA-N 0 3 248.757 3.444 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000162919806 371883856 /nfs/dbraw/zinc/88/38/56/371883856.db2.gz MVTWEDYXZRJMNF-PHIMTYICSA-N 0 3 248.757 3.299 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000162919935 371884343 /nfs/dbraw/zinc/88/43/43/371884343.db2.gz MVTWEDYXZRJMNF-QWRGUYRKSA-N 0 3 248.757 3.299 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000162920060 371883898 /nfs/dbraw/zinc/88/38/98/371883898.db2.gz MVTWEDYXZRJMNF-GHMZBOCLSA-N 0 3 248.757 3.299 20 30 BGEDHN CC[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162933456 371888860 /nfs/dbraw/zinc/88/88/60/371888860.db2.gz YLFLODJAGPCFCU-LLVKDONJSA-N 0 3 248.757 3.444 20 30 BGEDHN CC[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162933581 371889465 /nfs/dbraw/zinc/88/94/65/371889465.db2.gz YLFLODJAGPCFCU-NSHDSACASA-N 0 3 248.757 3.444 20 30 BGEDHN C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C1 ZINC000162937236 202107892 /nfs/dbraw/zinc/10/78/92/202107892.db2.gz RQFWFEUUFDQQLE-MNOVXSKESA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@H]1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C1 ZINC000162937368 202108661 /nfs/dbraw/zinc/10/86/61/202108661.db2.gz RQFWFEUUFDQQLE-QWRGUYRKSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2Cl)C1 ZINC000162937481 202109546 /nfs/dbraw/zinc/10/95/46/202109546.db2.gz RQFWFEUUFDQQLE-GHMZBOCLSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000162937600 202109608 /nfs/dbraw/zinc/10/96/08/202109608.db2.gz RQFWFEUUFDQQLE-WDEREUQCSA-N 0 3 248.757 3.442 20 30 BGEDHN C=CCCNCc1ccc(Cl)cc1F ZINC000162977020 487676351 /nfs/dbraw/zinc/67/63/51/487676351.db2.gz FRIFXKFBWYLAKE-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN C=CCCNCc1cc(Cl)ccc1F ZINC000162977146 487676317 /nfs/dbraw/zinc/67/63/17/487676317.db2.gz HELQOSWVIFAECO-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN C=C(Cl)CN[C@@H](C)Cc1cccc(F)c1 ZINC000163124682 637355885 /nfs/dbraw/zinc/35/58/85/637355885.db2.gz CYHPEASCSHAABP-JTQLQIEISA-N 0 3 227.710 3.099 20 30 BGEDHN C=C(Cl)CN[C@H](C)Cc1cccc(F)c1 ZINC000163124805 637354854 /nfs/dbraw/zinc/35/48/54/637354854.db2.gz CYHPEASCSHAABP-SNVBAGLBSA-N 0 3 227.710 3.099 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000163174376 361389157 /nfs/dbraw/zinc/38/91/57/361389157.db2.gz JDTKWMOXZQSFRZ-GWCFXTLKSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccccc1F ZINC000163174455 350509160 /nfs/dbraw/zinc/50/91/60/350509160.db2.gz JDTKWMOXZQSFRZ-GXFFZTMASA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000163174536 361389284 /nfs/dbraw/zinc/38/92/84/361389284.db2.gz JDTKWMOXZQSFRZ-MFKMUULPSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000163174621 361389451 /nfs/dbraw/zinc/38/94/51/361389451.db2.gz JDTKWMOXZQSFRZ-ZWNOBZJWSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(OCC)cc1 ZINC000163175511 538926873 /nfs/dbraw/zinc/92/68/73/538926873.db2.gz IRUWKLOSFZNZQK-GFCCVEGCSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(OCC)cc1 ZINC000163175614 538927222 /nfs/dbraw/zinc/92/72/22/538927222.db2.gz IRUWKLOSFZNZQK-LBPRGKRZSA-N 0 3 219.328 3.312 20 30 BGEDHN C=CC[C@H](C)N[C@@H](CC)c1ccc(F)cn1 ZINC000163181198 350511295 /nfs/dbraw/zinc/51/12/95/350511295.db2.gz HPOAYBAQJDERSO-JQWIXIFHSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@H](C)N[C@H](CC)c1ccc(F)cn1 ZINC000163181292 350511351 /nfs/dbraw/zinc/51/13/51/350511351.db2.gz HPOAYBAQJDERSO-CMPLNLGQSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](CC)c1ccc(F)cn1 ZINC000163181388 134981145 /nfs/dbraw/zinc/98/11/45/134981145.db2.gz HPOAYBAQJDERSO-PWSUYJOCSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@@H](C)N[C@H](CC)c1ccc(F)cn1 ZINC000163181476 350511301 /nfs/dbraw/zinc/51/13/01/350511301.db2.gz HPOAYBAQJDERSO-ZYHUDNBSSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1cc(OC)ccc1OC ZINC000163329499 386515598 /nfs/dbraw/zinc/51/55/98/386515598.db2.gz BVNNLXVDXJYABP-RYUDHWBXSA-N 0 3 249.354 3.319 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(OC)ccc1OC ZINC000163329615 386517644 /nfs/dbraw/zinc/51/76/44/386517644.db2.gz BVNNLXVDXJYABP-NEPJUHHUSA-N 0 3 249.354 3.319 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1cc(OC)ccc1OC ZINC000163329732 386516877 /nfs/dbraw/zinc/51/68/77/386516877.db2.gz BVNNLXVDXJYABP-NWDGAFQWSA-N 0 3 249.354 3.319 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1cc(OC)ccc1OC ZINC000163329868 386518034 /nfs/dbraw/zinc/51/80/34/386518034.db2.gz BVNNLXVDXJYABP-VXGBXAGGSA-N 0 3 249.354 3.319 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000163337988 384792584 /nfs/dbraw/zinc/79/25/84/384792584.db2.gz HJDHKHPTXZEEFT-QWRGUYRKSA-N 0 3 237.318 3.450 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000163338095 353348716 /nfs/dbraw/zinc/34/87/16/353348716.db2.gz HJDHKHPTXZEEFT-MNOVXSKESA-N 0 3 237.318 3.450 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000163338213 353348645 /nfs/dbraw/zinc/34/86/45/353348645.db2.gz HJDHKHPTXZEEFT-WDEREUQCSA-N 0 3 237.318 3.450 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000163338328 353348266 /nfs/dbraw/zinc/34/82/66/353348266.db2.gz HJDHKHPTXZEEFT-GHMZBOCLSA-N 0 3 237.318 3.450 20 30 BGEDHN C=CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000163398651 388279114 /nfs/dbraw/zinc/27/91/14/388279114.db2.gz XPUGESREVLKGKE-UHFFFAOYSA-N 0 3 243.325 3.075 20 30 BGEDHN CC#CCCNCc1cccc(Cl)c1Cl ZINC000163418123 388285034 /nfs/dbraw/zinc/28/50/34/388285034.db2.gz YSHZKRZVMIQDRX-UHFFFAOYSA-N 0 3 242.149 3.496 20 30 BGEDHN CC#CCCNCc1cc(Cl)cc(Cl)c1 ZINC000163421126 388284881 /nfs/dbraw/zinc/28/48/81/388284881.db2.gz QRKKXHRTBAOVFD-UHFFFAOYSA-N 0 3 242.149 3.496 20 30 BGEDHN CC#CCCNCc1ccc(Cl)cc1Cl ZINC000163422844 388287682 /nfs/dbraw/zinc/28/76/82/388287682.db2.gz JBGSYNUDCZPLOQ-UHFFFAOYSA-N 0 3 242.149 3.496 20 30 BGEDHN CC#CCCNCc1ccc(Cl)c(Cl)c1 ZINC000163425460 388288081 /nfs/dbraw/zinc/28/80/81/388288081.db2.gz OVMKOUTZWXOEGK-UHFFFAOYSA-N 0 3 242.149 3.496 20 30 BGEDHN C=C(C)COCCNCc1cccc(C2CC2)c1 ZINC000163511996 350524195 /nfs/dbraw/zinc/52/41/95/350524195.db2.gz DLPHWYSSJZOKIJ-UHFFFAOYSA-N 0 3 245.366 3.246 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1ccc(CC)cc1 ZINC000163519488 387695994 /nfs/dbraw/zinc/69/59/94/387695994.db2.gz XLBTXMWGOFCPMI-CQSZACIVSA-N 0 3 247.382 3.492 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1ccc(CC)cc1 ZINC000163519611 387696042 /nfs/dbraw/zinc/69/60/42/387696042.db2.gz XLBTXMWGOFCPMI-AWEZNQCLSA-N 0 3 247.382 3.492 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1cc(C)oc1C ZINC000163527971 350526040 /nfs/dbraw/zinc/52/60/40/350526040.db2.gz GSHIWWUNUKLKHT-GFCCVEGCSA-N 0 3 237.343 3.140 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1cc(C)oc1C ZINC000163528084 350526288 /nfs/dbraw/zinc/52/62/88/350526288.db2.gz GSHIWWUNUKLKHT-LBPRGKRZSA-N 0 3 237.343 3.140 20 30 BGEDHN C=C(C)COCCNCc1ccc(C2CC2)cc1 ZINC000163552735 350528330 /nfs/dbraw/zinc/52/83/30/350528330.db2.gz QCQHSLTWNNHKDM-UHFFFAOYSA-N 0 3 245.366 3.246 20 30 BGEDHN C#CCN[C@@H](C)c1cc2ccccc2s1 ZINC000163661269 326404387 /nfs/dbraw/zinc/40/43/87/326404387.db2.gz NLDYGRYLWBQCPG-JTQLQIEISA-N 0 3 215.321 3.185 20 30 BGEDHN C#CCN[C@H](C)c1cc2ccccc2s1 ZINC000163661386 388366348 /nfs/dbraw/zinc/36/63/48/388366348.db2.gz NLDYGRYLWBQCPG-SNVBAGLBSA-N 0 3 215.321 3.185 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000163743613 187298796 /nfs/dbraw/zinc/29/87/96/187298796.db2.gz QPQCVHLAOXIMHT-RYUDHWBXSA-N 0 3 243.354 3.189 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000163743738 191109791 /nfs/dbraw/zinc/10/97/91/191109791.db2.gz QPQCVHLAOXIMHT-NEPJUHHUSA-N 0 3 243.354 3.189 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000163743864 187299008 /nfs/dbraw/zinc/29/90/08/187299008.db2.gz QPQCVHLAOXIMHT-NWDGAFQWSA-N 0 3 243.354 3.189 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000163743981 384526727 /nfs/dbraw/zinc/52/67/27/384526727.db2.gz QPQCVHLAOXIMHT-VXGBXAGGSA-N 0 3 243.354 3.189 20 30 BGEDHN N#CCCCCNCc1c(F)cccc1Cl ZINC000163861318 346580289 /nfs/dbraw/zinc/58/02/89/346580289.db2.gz UWIUDIMNMKMBRU-UHFFFAOYSA-N 0 3 240.709 3.263 20 30 BGEDHN C=CCSCCNCc1ccc(F)c(C)c1 ZINC000163891648 135209707 /nfs/dbraw/zinc/20/97/07/135209707.db2.gz KLAGWOYZLYKTGU-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN C=CCSCCNCc1ccc(F)cc1C ZINC000163892653 135209512 /nfs/dbraw/zinc/20/95/12/135209512.db2.gz CJTVKVUYDYOTPH-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN C=CCSCCNCc1ccc(Cl)s1 ZINC000163894582 384357127 /nfs/dbraw/zinc/35/71/27/384357127.db2.gz BMXCHRYCQPKLOL-UHFFFAOYSA-N 0 3 247.816 3.410 20 30 BGEDHN C=CCSCCNCc1ccccc1Cl ZINC000163896591 135209903 /nfs/dbraw/zinc/20/99/03/135209903.db2.gz QBYHNTJQEKTBBM-UHFFFAOYSA-N 0 3 241.787 3.349 20 30 BGEDHN C=CCSCCNCc1cccc(Cl)c1 ZINC000163897503 135209579 /nfs/dbraw/zinc/20/95/79/135209579.db2.gz XJSAQVFGKBLIFO-UHFFFAOYSA-N 0 3 241.787 3.349 20 30 BGEDHN C=CCSCCNCc1ccc(C)c(F)c1 ZINC000163950280 135211461 /nfs/dbraw/zinc/21/14/61/135211461.db2.gz VQWMJDYSSVWQPE-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163989905 388120619 /nfs/dbraw/zinc/12/06/19/388120619.db2.gz DGZHEAWDVYTKJS-QWRGUYRKSA-N 0 3 205.301 3.007 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163989967 388120391 /nfs/dbraw/zinc/12/03/91/388120391.db2.gz DGZHEAWDVYTKJS-MNOVXSKESA-N 0 3 205.301 3.007 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163990050 188215934 /nfs/dbraw/zinc/21/59/34/188215934.db2.gz DGZHEAWDVYTKJS-WDEREUQCSA-N 0 3 205.301 3.007 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163990124 188215485 /nfs/dbraw/zinc/21/54/85/188215485.db2.gz DGZHEAWDVYTKJS-GHMZBOCLSA-N 0 3 205.301 3.007 20 30 BGEDHN C=C(Cl)CNC1CC(c2ccccc2)C1 ZINC000164037891 187353641 /nfs/dbraw/zinc/35/36/41/187353641.db2.gz OJKQZFJQWIIFNJ-UHFFFAOYSA-N 0 3 221.731 3.275 20 30 BGEDHN C=C(Cl)CNC1CC(c2cccc(F)c2)C1 ZINC000164038001 386568684 /nfs/dbraw/zinc/56/86/84/386568684.db2.gz QWJMDXSHPCRSJF-UHFFFAOYSA-N 0 3 239.721 3.414 20 30 BGEDHN C=C(Cl)CNC1CC(c2ccc(F)cc2)C1 ZINC000164038120 135211815 /nfs/dbraw/zinc/21/18/15/135211815.db2.gz SVTLQVIUXNDEQR-UHFFFAOYSA-N 0 3 239.721 3.414 20 30 BGEDHN C=C(Cl)CNC1CC(c2ccccc2F)C1 ZINC000164038625 135212126 /nfs/dbraw/zinc/21/21/26/135212126.db2.gz VRRBXGVGICICFX-UHFFFAOYSA-N 0 3 239.721 3.414 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1cccc(F)c1 ZINC000164092407 534669714 /nfs/dbraw/zinc/66/97/14/534669714.db2.gz LTDIEFYUNABNGS-GWCFXTLKSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1cccc(F)c1 ZINC000164092527 135214421 /nfs/dbraw/zinc/21/44/21/135214421.db2.gz LTDIEFYUNABNGS-GXFFZTMASA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1cccc(F)c1 ZINC000164092633 534513049 /nfs/dbraw/zinc/51/30/49/534513049.db2.gz LTDIEFYUNABNGS-MFKMUULPSA-N 0 3 207.292 3.441 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1cccc(F)c1 ZINC000164092721 534512844 /nfs/dbraw/zinc/51/28/44/534512844.db2.gz LTDIEFYUNABNGS-ZWNOBZJWSA-N 0 3 207.292 3.441 20 30 BGEDHN C=CCSCCNCc1cc(C)ccc1F ZINC000164116299 135213853 /nfs/dbraw/zinc/21/38/53/135213853.db2.gz DGYVVPYHFPZVCA-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN CC[C@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000164520679 535914723 /nfs/dbraw/zinc/91/47/23/535914723.db2.gz NXXBNQPPPZHXIW-LBPRGKRZSA-N 0 3 220.316 3.066 20 30 BGEDHN CC[C@@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000164520812 535805818 /nfs/dbraw/zinc/80/58/18/535805818.db2.gz NXXBNQPPPZHXIW-GFCCVEGCSA-N 0 3 220.316 3.066 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000164628499 188046115 /nfs/dbraw/zinc/04/61/15/188046115.db2.gz GEBOQRWPQDDNLV-NWDGAFQWSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000164628617 386157028 /nfs/dbraw/zinc/15/70/28/386157028.db2.gz GEBOQRWPQDDNLV-RYUDHWBXSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000164628710 386151247 /nfs/dbraw/zinc/15/12/47/386151247.db2.gz GEBOQRWPQDDNLV-VXGBXAGGSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000164628829 386156341 /nfs/dbraw/zinc/15/63/41/386156341.db2.gz GEBOQRWPQDDNLV-NEPJUHHUSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000164629424 386151303 /nfs/dbraw/zinc/15/13/03/386151303.db2.gz LVOQJIJPVGDKOZ-NWDGAFQWSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000164629541 386151744 /nfs/dbraw/zinc/15/17/44/386151744.db2.gz LVOQJIJPVGDKOZ-RYUDHWBXSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000164629649 386150763 /nfs/dbraw/zinc/15/07/63/386150763.db2.gz LVOQJIJPVGDKOZ-VXGBXAGGSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000164629753 187356198 /nfs/dbraw/zinc/35/61/98/187356198.db2.gz LVOQJIJPVGDKOZ-NEPJUHHUSA-N 0 3 219.328 3.316 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000164630326 188218946 /nfs/dbraw/zinc/21/89/46/188218946.db2.gz GILZBJBADPEIBY-UWVGGRQHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000164630453 386153261 /nfs/dbraw/zinc/15/32/61/386153261.db2.gz GILZBJBADPEIBY-ZJUUUORDSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000164630566 386150228 /nfs/dbraw/zinc/15/02/28/386150228.db2.gz GILZBJBADPEIBY-VHSXEESVSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000164630678 188218845 /nfs/dbraw/zinc/21/88/45/188218845.db2.gz GILZBJBADPEIBY-NXEZZACHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=C(Cl)CN[C@H](C)c1cc(C)ccc1O ZINC000164631011 188046198 /nfs/dbraw/zinc/04/61/98/188046198.db2.gz GPOUXZADPXNRAR-SNVBAGLBSA-N 0 3 225.719 3.104 20 30 BGEDHN C=C(Cl)CN[C@@H](C)c1cc(C)ccc1O ZINC000164631137 188218791 /nfs/dbraw/zinc/21/87/91/188218791.db2.gz GPOUXZADPXNRAR-JTQLQIEISA-N 0 3 225.719 3.104 20 30 BGEDHN C=C(Cl)CN[C@H](C)c1ccc(C)cc1O ZINC000164632001 188398882 /nfs/dbraw/zinc/39/88/82/188398882.db2.gz FEWVXYRPVNVIOF-SNVBAGLBSA-N 0 3 225.719 3.104 20 30 BGEDHN C=C(Cl)CN[C@@H](C)c1ccc(C)cc1O ZINC000164632118 398000024 /nfs/dbraw/zinc/00/00/24/398000024.db2.gz FEWVXYRPVNVIOF-JTQLQIEISA-N 0 3 225.719 3.104 20 30 BGEDHN CC(C)(C)CCCNCc1ccc(C#N)o1 ZINC000164637905 388394744 /nfs/dbraw/zinc/39/47/44/388394744.db2.gz VODQXLHPMFCTGU-UHFFFAOYSA-N 0 3 220.316 3.067 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000164670787 388395908 /nfs/dbraw/zinc/39/59/08/388395908.db2.gz XMNFMJSXBIZYJS-QWHCGFSZSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000164670898 388396217 /nfs/dbraw/zinc/39/62/17/388396217.db2.gz XMNFMJSXBIZYJS-STQMWFEESA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000164671025 388396136 /nfs/dbraw/zinc/39/61/36/388396136.db2.gz XMNFMJSXBIZYJS-CHWSQXEVSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000164671155 388396247 /nfs/dbraw/zinc/39/62/47/388396247.db2.gz XMNFMJSXBIZYJS-OLZOCXBDSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CNCC1CCCCCC1 ZINC000164671299 388396376 /nfs/dbraw/zinc/39/63/76/388396376.db2.gz JDZYEORGAPOGQE-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCCC1(C)C ZINC000164674236 372182498 /nfs/dbraw/zinc/18/24/98/372182498.db2.gz FCZYPYIIOMMNDA-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCCC1(C)C ZINC000164674335 372182374 /nfs/dbraw/zinc/18/23/74/372182374.db2.gz FCZYPYIIOMMNDA-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC1CCC(NCC(C)(C)C#N)CC1 ZINC000164677813 203279447 /nfs/dbraw/zinc/27/94/47/203279447.db2.gz GBHZSAJQDHUQDS-UHFFFAOYSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)(C#N)CNC1CCC(C)(C)CC1 ZINC000164677942 388396352 /nfs/dbraw/zinc/39/63/52/388396352.db2.gz NYVSYELYNYQCRG-UHFFFAOYSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000164684438 203290215 /nfs/dbraw/zinc/29/02/15/203290215.db2.gz ZWYATKSRPAXACL-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000164684535 203289522 /nfs/dbraw/zinc/28/95/22/203289522.db2.gz ZWYATKSRPAXACL-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000164684638 203290668 /nfs/dbraw/zinc/29/06/68/203290668.db2.gz ZWYATKSRPAXACL-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000164684753 203290721 /nfs/dbraw/zinc/29/07/21/203290721.db2.gz ZWYATKSRPAXACL-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCC(C)(C)C#N ZINC000164688277 388397090 /nfs/dbraw/zinc/39/70/90/388397090.db2.gz RDJJVMFWUFPVPH-NEPJUHHUSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCC(C)(C)C#N ZINC000164688386 203291852 /nfs/dbraw/zinc/29/18/52/203291852.db2.gz RDJJVMFWUFPVPH-RYUDHWBXSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCC(C)(C)C#N ZINC000164688506 388397379 /nfs/dbraw/zinc/39/73/79/388397379.db2.gz RDJJVMFWUFPVPH-VXGBXAGGSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCC(C)(C)C#N ZINC000164688626 203292113 /nfs/dbraw/zinc/29/21/13/203292113.db2.gz RDJJVMFWUFPVPH-NWDGAFQWSA-N 0 3 222.376 3.341 20 30 BGEDHN CCC1CCC(NCC(C)(C)C#N)CC1 ZINC000164689916 388397714 /nfs/dbraw/zinc/39/77/14/388397714.db2.gz ZLFZYLCWRILMRY-UHFFFAOYSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)C1CCC(NCC(C)(C)C#N)CC1 ZINC000164694773 203298366 /nfs/dbraw/zinc/29/83/66/203298366.db2.gz MWSDZCYDROPESW-UHFFFAOYSA-N 0 3 222.376 3.341 20 30 BGEDHN CC[C@@H](C)C[C@@H](CC)NCC(C)(C)C#N ZINC000164955679 384342043 /nfs/dbraw/zinc/34/20/43/384342043.db2.gz IQJRHLIBDXZGBO-VXGBXAGGSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@H](C[C@@H](C)CC)NCC(C)(C)C#N ZINC000164955794 387340989 /nfs/dbraw/zinc/34/09/89/387340989.db2.gz IQJRHLIBDXZGBO-NWDGAFQWSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@@H](C)C[C@H](CC)NCC(C)(C)C#N ZINC000164955924 384341799 /nfs/dbraw/zinc/34/17/99/384341799.db2.gz IQJRHLIBDXZGBO-NEPJUHHUSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@H](C)C[C@H](CC)NCC(C)(C)C#N ZINC000164956029 384342380 /nfs/dbraw/zinc/34/23/80/384342380.db2.gz IQJRHLIBDXZGBO-RYUDHWBXSA-N 0 3 210.365 3.341 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCC(C)(C)C1 ZINC000164956528 384341194 /nfs/dbraw/zinc/34/11/94/384341194.db2.gz BXRJUXRLGQJVES-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCC(C)(C)C1 ZINC000164956640 384340739 /nfs/dbraw/zinc/34/07/39/384340739.db2.gz BXRJUXRLGQJVES-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CCCN(CCC#N)CC(C)C ZINC000165324832 640562330 /nfs/dbraw/zinc/56/23/30/640562330.db2.gz IWFCHXCHINQRPS-UHFFFAOYSA-N 0 3 210.365 3.294 20 30 BGEDHN C#CCCCCNCc1cc(C)ccc1F ZINC000165933193 166126468 /nfs/dbraw/zinc/12/64/68/166126468.db2.gz LAPLCELMZMPOSE-UHFFFAOYSA-N 0 3 219.303 3.027 20 30 BGEDHN N#CCCCCNCc1cccc(Cl)c1F ZINC000165968678 385209798 /nfs/dbraw/zinc/20/97/98/385209798.db2.gz BLCONZSRFPIZCV-UHFFFAOYSA-N 0 3 240.709 3.263 20 30 BGEDHN CC#CCCNCc1c2ccccc2oc1CC ZINC000166297881 387631872 /nfs/dbraw/zinc/63/18/72/387631872.db2.gz JWDLRQJOYOJJCE-UHFFFAOYSA-N 0 3 241.334 3.498 20 30 BGEDHN CC#CCCNCc1cccc(C(F)(F)F)c1 ZINC000166300362 203387861 /nfs/dbraw/zinc/38/78/61/203387861.db2.gz VDTHLHPBAWLDCC-UHFFFAOYSA-N 0 3 241.256 3.208 20 30 BGEDHN CC#CCCNCc1ccc(C(F)(F)F)cc1 ZINC000166300630 203387868 /nfs/dbraw/zinc/38/78/68/203387868.db2.gz GDLCTECQYZWNND-UHFFFAOYSA-N 0 3 241.256 3.208 20 30 BGEDHN C#C[C@H](C)NCc1csc2ccccc12 ZINC000166365660 640631541 /nfs/dbraw/zinc/63/15/41/640631541.db2.gz RLVRWLMMHJZSML-JTQLQIEISA-N 0 3 215.321 3.013 20 30 BGEDHN C#C[C@@H](C)NCc1csc2ccccc12 ZINC000166365789 640631565 /nfs/dbraw/zinc/63/15/65/640631565.db2.gz RLVRWLMMHJZSML-SNVBAGLBSA-N 0 3 215.321 3.013 20 30 BGEDHN C#C[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000166416677 640636736 /nfs/dbraw/zinc/63/67/36/640636736.db2.gz KUDJVKBXPXHLRR-LBPRGKRZSA-N 0 3 215.340 3.095 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000166416797 640636997 /nfs/dbraw/zinc/63/69/97/640636997.db2.gz KUDJVKBXPXHLRR-GFCCVEGCSA-N 0 3 215.340 3.095 20 30 BGEDHN C#CCN[C@@H](CC)c1ccc(Cl)s1 ZINC000166433269 166190263 /nfs/dbraw/zinc/19/02/63/166190263.db2.gz NHSIANOYMPPSEP-QMMMGPOBSA-N 0 3 213.733 3.075 20 30 BGEDHN C#CCN[C@H](CC)c1ccc(Cl)s1 ZINC000166433367 166192423 /nfs/dbraw/zinc/19/24/23/166192423.db2.gz NHSIANOYMPPSEP-MRVPVSSYSA-N 0 3 213.733 3.075 20 30 BGEDHN C#C[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000166469662 640644297 /nfs/dbraw/zinc/64/42/97/640644297.db2.gz XTGSBMGQXIOPPT-QMMMGPOBSA-N 0 3 228.122 3.105 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000166469772 640645080 /nfs/dbraw/zinc/64/50/80/640645080.db2.gz XTGSBMGQXIOPPT-MRVPVSSYSA-N 0 3 228.122 3.105 20 30 BGEDHN C#C[C@H](C)NC1CC(c2cccc(Cl)c2)C1 ZINC000166488577 355561956 /nfs/dbraw/zinc/56/19/56/355561956.db2.gz BCQHAQYVDSRPSF-JKDOVBDQSA-N 0 3 233.742 3.197 20 30 BGEDHN C#C[C@@H](C)NC1CC(c2cccc(Cl)c2)C1 ZINC000166488694 355563227 /nfs/dbraw/zinc/56/32/27/355563227.db2.gz BCQHAQYVDSRPSF-PWQPVHBWSA-N 0 3 233.742 3.197 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCCC(F)(F)F ZINC000166673829 355748134 /nfs/dbraw/zinc/74/81/34/355748134.db2.gz CAFCQDGJPXYOGZ-UWVGGRQHSA-N 0 3 236.281 3.389 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCCC(F)(F)F ZINC000166673928 355747989 /nfs/dbraw/zinc/74/79/89/355747989.db2.gz CAFCQDGJPXYOGZ-VHSXEESVSA-N 0 3 236.281 3.389 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCCC(F)(F)F ZINC000166674025 355748085 /nfs/dbraw/zinc/74/80/85/355748085.db2.gz CAFCQDGJPXYOGZ-ZJUUUORDSA-N 0 3 236.281 3.389 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCCC(F)(F)F ZINC000166674115 355753397 /nfs/dbraw/zinc/75/33/97/355753397.db2.gz CAFCQDGJPXYOGZ-NXEZZACHSA-N 0 3 236.281 3.389 20 30 BGEDHN C[C@@H](CCCC(F)(F)F)NCC(C)(C)C#N ZINC000166709713 344967335 /nfs/dbraw/zinc/96/73/35/344967335.db2.gz DJMSCSORKLVCPE-VIFPVBQESA-N 0 3 236.281 3.247 20 30 BGEDHN C[C@H](CCCC(F)(F)F)NCC(C)(C)C#N ZINC000166709828 344966685 /nfs/dbraw/zinc/96/66/85/344966685.db2.gz DJMSCSORKLVCPE-SECBINFHSA-N 0 3 236.281 3.247 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000166717167 344972243 /nfs/dbraw/zinc/97/22/43/344972243.db2.gz WMRROTUCWTXFIR-RDBSUJKOSA-N 0 3 242.366 3.425 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccccc2C#N)C1 ZINC000166717389 344972684 /nfs/dbraw/zinc/97/26/84/344972684.db2.gz WMRROTUCWTXFIR-MCIONIFRSA-N 0 3 242.366 3.425 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1CC#Cc1ccccc1 ZINC000166754588 326434437 /nfs/dbraw/zinc/43/44/37/326434437.db2.gz KMPHHQGRQQEZHJ-GJZGRUSLSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1CC#Cc1ccccc1 ZINC000166754681 388430334 /nfs/dbraw/zinc/43/03/34/388430334.db2.gz KMPHHQGRQQEZHJ-HUUCEWRRSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@H](NCCCCC#N)c1cccnc1Cl ZINC000167256184 385304148 /nfs/dbraw/zinc/30/41/48/385304148.db2.gz OLZGBJRBLUDUFK-JTQLQIEISA-N 0 3 237.734 3.079 20 30 BGEDHN C[C@@H](NCCCCC#N)c1cccnc1Cl ZINC000167256301 136274018 /nfs/dbraw/zinc/27/40/18/136274018.db2.gz OLZGBJRBLUDUFK-SNVBAGLBSA-N 0 3 237.734 3.079 20 30 BGEDHN CCc1ccc([C@@H](C)NCCCCC#N)o1 ZINC000167268147 136273955 /nfs/dbraw/zinc/27/39/55/136273955.db2.gz JIRHLFCYZKUNFH-LLVKDONJSA-N 0 3 220.316 3.186 20 30 BGEDHN CCc1ccc([C@H](C)NCCCCC#N)o1 ZINC000167268248 136274033 /nfs/dbraw/zinc/27/40/33/136274033.db2.gz JIRHLFCYZKUNFH-NSHDSACASA-N 0 3 220.316 3.186 20 30 BGEDHN C=C(C)CNCc1cccc(C2CC2)c1 ZINC000167439469 136245887 /nfs/dbraw/zinc/24/58/87/136245887.db2.gz ZBEPGCXADJNTCW-UHFFFAOYSA-N 0 3 201.313 3.230 20 30 BGEDHN C=C(C)CNCc1ccc(C2CC2)cc1 ZINC000167448082 136246742 /nfs/dbraw/zinc/24/67/42/136246742.db2.gz PWTZXMDXSYBWBL-UHFFFAOYSA-N 0 3 201.313 3.230 20 30 BGEDHN C=C(C)CNCc1ccccc1C1CC1 ZINC000167455797 538942071 /nfs/dbraw/zinc/94/20/71/538942071.db2.gz YXYQFAIILXRDCU-UHFFFAOYSA-N 0 3 201.313 3.230 20 30 BGEDHN C=C(C)CNCc1ccc(C(F)F)cc1 ZINC000167456500 364793438 /nfs/dbraw/zinc/79/34/38/364793438.db2.gz CMQQXZZWDFWFFH-UHFFFAOYSA-N 0 3 211.255 3.290 20 30 BGEDHN C=C(C)CNCc1ccc(OCCC)cc1 ZINC000167466684 343209269 /nfs/dbraw/zinc/20/92/69/343209269.db2.gz ULSSBWJADBMQFF-UHFFFAOYSA-N 0 3 219.328 3.141 20 30 BGEDHN C=C(C)CNCc1cc(Cl)ccc1OC ZINC000167467397 640723412 /nfs/dbraw/zinc/72/34/12/640723412.db2.gz WWJFNDGQTNTNNX-UHFFFAOYSA-N 0 3 225.719 3.014 20 30 BGEDHN C=C(C)CNCc1ccc(OC)c(Cl)c1 ZINC000167468206 187364995 /nfs/dbraw/zinc/36/49/95/187364995.db2.gz KDRWSQQLDQYKQD-UHFFFAOYSA-N 0 3 225.719 3.014 20 30 BGEDHN C=C(C)CNCc1cc(F)cc(Cl)c1 ZINC000167474066 355991454 /nfs/dbraw/zinc/99/14/54/355991454.db2.gz GUYRIQUGLYZEDK-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN C=C(C)CNCc1cc(Cl)cs1 ZINC000167481240 136259910 /nfs/dbraw/zinc/25/99/10/136259910.db2.gz XZEDTTOXBMBMRK-UHFFFAOYSA-N 0 3 201.722 3.067 20 30 BGEDHN C=CCN(CC=C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000167695983 345722912 /nfs/dbraw/zinc/72/29/12/345722912.db2.gz PLUKTJNYBJEECI-HUUCEWRRSA-N 0 3 213.324 3.217 20 30 BGEDHN C=C(Cl)CN[C@@H](C)CCc1ccc(O)cc1 ZINC000167721785 188059228 /nfs/dbraw/zinc/05/92/28/188059228.db2.gz VKFVWIFMRGVALO-NSHDSACASA-N 0 3 239.746 3.055 20 30 BGEDHN C=C(Cl)CN[C@H](C)CCc1ccc(O)cc1 ZINC000167721888 188058940 /nfs/dbraw/zinc/05/89/40/188058940.db2.gz VKFVWIFMRGVALO-LLVKDONJSA-N 0 3 239.746 3.055 20 30 BGEDHN C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000167749657 640746321 /nfs/dbraw/zinc/74/63/21/640746321.db2.gz JQQKSUGPSXNQLW-NSHDSACASA-N 0 3 225.719 3.185 20 30 BGEDHN C=C(Cl)CN[C@@H](CC)c1ccccc1O ZINC000167749657 640746316 /nfs/dbraw/zinc/74/63/16/640746316.db2.gz JQQKSUGPSXNQLW-NSHDSACASA-N 0 3 225.719 3.185 20 30 BGEDHN C=C(Cl)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000167749767 640745087 /nfs/dbraw/zinc/74/50/87/640745087.db2.gz JQQKSUGPSXNQLW-LLVKDONJSA-N 0 3 225.719 3.185 20 30 BGEDHN C=C(Cl)CN[C@H](CC)c1ccccc1O ZINC000167749767 640745084 /nfs/dbraw/zinc/74/50/84/640745084.db2.gz JQQKSUGPSXNQLW-LLVKDONJSA-N 0 3 225.719 3.185 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccccc1F ZINC000168045841 206146939 /nfs/dbraw/zinc/14/69/39/206146939.db2.gz MQLISFWLEYKDFF-NSHDSACASA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccccc1F ZINC000168045937 206148676 /nfs/dbraw/zinc/14/86/76/206148676.db2.gz MQLISFWLEYKDFF-LLVKDONJSA-N 0 3 207.292 3.443 20 30 BGEDHN C=C(C)CCN[C@@H](CC)c1nccs1 ZINC000168058863 134155816 /nfs/dbraw/zinc/15/58/16/134155816.db2.gz OUYWDYBINHNURJ-JTQLQIEISA-N 0 3 210.346 3.150 20 30 BGEDHN C=C(C)CCN[C@H](CC)c1nccs1 ZINC000168058960 134155774 /nfs/dbraw/zinc/15/57/74/134155774.db2.gz OUYWDYBINHNURJ-SNVBAGLBSA-N 0 3 210.346 3.150 20 30 BGEDHN C=C(C)CCN[C@H](C)c1nc(C)cs1 ZINC000168061986 134155598 /nfs/dbraw/zinc/15/55/98/134155598.db2.gz FCBGMTFZZIGJTJ-SNVBAGLBSA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1nc(C)cs1 ZINC000168062076 134155840 /nfs/dbraw/zinc/15/58/40/134155840.db2.gz FCBGMTFZZIGJTJ-JTQLQIEISA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ncc(C)s1 ZINC000168063890 187206224 /nfs/dbraw/zinc/20/62/24/187206224.db2.gz YTBRGRJDUUPQCD-SNVBAGLBSA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ncc(C)s1 ZINC000168064003 387942412 /nfs/dbraw/zinc/94/24/12/387942412.db2.gz YTBRGRJDUUPQCD-JTQLQIEISA-N 0 3 210.346 3.068 20 30 BGEDHN CC#CCCNCc1ccccc1C(F)(F)F ZINC000168225075 387038298 /nfs/dbraw/zinc/03/82/98/387038298.db2.gz CNZCYUAIKNCCGP-UHFFFAOYSA-N 0 3 241.256 3.208 20 30 BGEDHN C=C[C@H](C)NCc1cc(F)cc(Cl)c1 ZINC000168273063 534666140 /nfs/dbraw/zinc/66/61/40/534666140.db2.gz MRNSTEJVOHPBAA-QMMMGPOBSA-N 0 3 213.683 3.143 20 30 BGEDHN C=C[C@@H](C)NCc1cc(F)cc(Cl)c1 ZINC000168273167 534507987 /nfs/dbraw/zinc/50/79/87/534507987.db2.gz MRNSTEJVOHPBAA-MRVPVSSYSA-N 0 3 213.683 3.143 20 30 BGEDHN CC1(C)CC(NCCC#N)CC(C)(C)C1 ZINC000168291772 134165432 /nfs/dbraw/zinc/16/54/32/134165432.db2.gz UPMMQWYLLZGLMD-UHFFFAOYSA-N 0 3 208.349 3.095 20 30 BGEDHN C=CCCNCc1c(F)cccc1Cl ZINC000168517863 487515118 /nfs/dbraw/zinc/51/51/18/487515118.db2.gz LUKFBXQXWXDTOL-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN C=CCCN[C@@H](C)c1ccc(OC)cc1F ZINC000168519770 487515016 /nfs/dbraw/zinc/51/50/16/487515016.db2.gz QAPRIIMFTFXQMM-JTQLQIEISA-N 0 3 223.291 3.061 20 30 BGEDHN C=CCCN[C@H](C)c1ccc(OC)cc1F ZINC000168519856 487515148 /nfs/dbraw/zinc/51/51/48/487515148.db2.gz QAPRIIMFTFXQMM-SNVBAGLBSA-N 0 3 223.291 3.061 20 30 BGEDHN C=CCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000168536633 487516316 /nfs/dbraw/zinc/51/63/16/487516316.db2.gz DFCNWWZPENPJHR-PWSUYJOCSA-N 0 3 205.301 3.069 20 30 BGEDHN C=CCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000168536730 487517303 /nfs/dbraw/zinc/51/73/03/487517303.db2.gz DFCNWWZPENPJHR-JQWIXIFHSA-N 0 3 205.301 3.069 20 30 BGEDHN C=CCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000168536830 487517381 /nfs/dbraw/zinc/51/73/81/487517381.db2.gz DFCNWWZPENPJHR-ZYHUDNBSSA-N 0 3 205.301 3.069 20 30 BGEDHN C=CCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000168536938 487517188 /nfs/dbraw/zinc/51/71/88/487517188.db2.gz DFCNWWZPENPJHR-CMPLNLGQSA-N 0 3 205.301 3.069 20 30 BGEDHN C=CCCNCc1cnc(C(C)(C)C)s1 ZINC000168541779 487517889 /nfs/dbraw/zinc/51/78/89/487517889.db2.gz CRRMPJXPABAPSD-UHFFFAOYSA-N 0 3 224.373 3.106 20 30 BGEDHN C=CCCNCc1csc(Br)c1 ZINC000168550130 487519416 /nfs/dbraw/zinc/51/94/16/487519416.db2.gz XJXIEBDJRQAFHK-UHFFFAOYSA-N 0 3 246.173 3.176 20 30 BGEDHN C=CCCNCc1ccccc1OC(C)C ZINC000168558796 487520986 /nfs/dbraw/zinc/52/09/86/487520986.db2.gz XSGYWXICQGKTPK-UHFFFAOYSA-N 0 3 219.328 3.140 20 30 BGEDHN C=C(C)COCCNCc1cc(Cl)cs1 ZINC000168611065 134231555 /nfs/dbraw/zinc/23/15/55/134231555.db2.gz DIEGPTFELAVRHX-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCCNCc1nc(C(C)(C)C)cs1 ZINC000168728378 640823063 /nfs/dbraw/zinc/82/30/63/640823063.db2.gz DVSCWLQEBFDPHS-UHFFFAOYSA-N 0 3 224.373 3.106 20 30 BGEDHN C=CCCNCc1ccc(F)cc1Cl ZINC000168728956 487539236 /nfs/dbraw/zinc/53/92/36/487539236.db2.gz GPONQNZGJMTQJP-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN CCCCCCCCN1CCO[C@@H](C)C1 ZINC000168755965 633146445 /nfs/dbraw/zinc/14/64/45/633146445.db2.gz XFUHPAAABSHQNZ-ZDUSSCGKSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCCN1CCO[C@H](C)C1 ZINC000168756065 633146227 /nfs/dbraw/zinc/14/62/27/633146227.db2.gz XFUHPAAABSHQNZ-CYBMUJFWSA-N 0 3 213.365 3.068 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168833836 387797357 /nfs/dbraw/zinc/79/73/57/387797357.db2.gz LYCKCRSJBCIVFJ-QWRGUYRKSA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168833932 188079308 /nfs/dbraw/zinc/07/93/08/188079308.db2.gz LYCKCRSJBCIVFJ-MNOVXSKESA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168834019 188078495 /nfs/dbraw/zinc/07/84/95/188078495.db2.gz LYCKCRSJBCIVFJ-WDEREUQCSA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168834115 387798340 /nfs/dbraw/zinc/79/83/40/387798340.db2.gz LYCKCRSJBCIVFJ-GHMZBOCLSA-N 0 3 235.327 3.016 20 30 BGEDHN CC(C)(C#N)CNC1CC(c2ccccc2)C1 ZINC000168919863 134248501 /nfs/dbraw/zinc/24/85/01/134248501.db2.gz UMUYRSQSQITBSZ-UHFFFAOYSA-N 0 3 228.339 3.072 20 30 BGEDHN CC(C)(C#N)CNC1CC(c2cccc(F)c2)C1 ZINC000168919955 387369629 /nfs/dbraw/zinc/36/96/29/387369629.db2.gz XPXVUVIGULQEJN-UHFFFAOYSA-N 0 3 246.329 3.211 20 30 BGEDHN CC(C)(C#N)CNC1CC(c2ccc(F)cc2)C1 ZINC000168925957 387371001 /nfs/dbraw/zinc/37/10/01/387371001.db2.gz WBTJYTJOVXARSI-UHFFFAOYSA-N 0 3 246.329 3.211 20 30 BGEDHN Cc1ccccc1C1CC(NCC(C)(C)C#N)C1 ZINC000168938299 134248796 /nfs/dbraw/zinc/24/87/96/134248796.db2.gz DUEXBOJDZLLHOI-UHFFFAOYSA-N 0 3 242.366 3.380 20 30 BGEDHN C=C(C)CCNCc1ccccc1Cl ZINC000168945086 384358474 /nfs/dbraw/zinc/35/84/74/384358474.db2.gz ZMXGTHCNGDELBJ-UHFFFAOYSA-N 0 3 209.720 3.396 20 30 BGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)o2)C[C@@H]1C ZINC000168964728 387374998 /nfs/dbraw/zinc/37/49/98/387374998.db2.gz XLFCJFAQPRXHJO-WOPDTQHZSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)o2)C[C@@H]1C ZINC000168964902 387374980 /nfs/dbraw/zinc/37/49/80/387374980.db2.gz XLFCJFAQPRXHJO-GRYCIOLGSA-N 0 3 232.327 3.066 20 30 BGEDHN C=C(C)CCNCc1ccc(F)cc1F ZINC000168980854 365047113 /nfs/dbraw/zinc/04/71/13/365047113.db2.gz DKHDQIWTSMICDZ-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=C(C)CCNCc1cc(F)ccc1F ZINC000168989632 134248841 /nfs/dbraw/zinc/24/88/41/134248841.db2.gz WDBPPCHXRLPEED-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=CC[C@H](C)NCc1ccc(Br)o1 ZINC000169120563 188252066 /nfs/dbraw/zinc/25/20/66/188252066.db2.gz GJWIOZRXSJWIEG-QMMMGPOBSA-N 0 3 244.132 3.096 20 30 BGEDHN C=CC[C@@H](C)NCc1ccc(Br)o1 ZINC000169120642 384415817 /nfs/dbraw/zinc/41/58/17/384415817.db2.gz GJWIOZRXSJWIEG-MRVPVSSYSA-N 0 3 244.132 3.096 20 30 BGEDHN C[C@@H](CCc1ccccc1)NCC(C)(C)C#N ZINC000169279352 384476421 /nfs/dbraw/zinc/47/64/21/384476421.db2.gz LOLSOGIPCPETES-ZDUSSCGKSA-N 0 3 230.355 3.147 20 30 BGEDHN C[C@H](CCc1ccccc1)NCC(C)(C)C#N ZINC000169279429 387188912 /nfs/dbraw/zinc/18/89/12/387188912.db2.gz LOLSOGIPCPETES-CYBMUJFWSA-N 0 3 230.355 3.147 20 30 BGEDHN CC(C)(C#N)CNC1CCC(C(F)(F)F)CC1 ZINC000169280237 134250688 /nfs/dbraw/zinc/25/06/88/134250688.db2.gz JHZILINIAPOXIW-UHFFFAOYSA-N 0 3 248.292 3.247 20 30 BGEDHN C=CCN1CCC(c2ccccc2C)CC1 ZINC000170953943 534847668 /nfs/dbraw/zinc/84/76/68/534847668.db2.gz XOXXWXQSUOZRFC-UHFFFAOYSA-N 0 3 215.340 3.360 20 30 BGEDHN C=C(C)CN1CCc2ccccc2[C@H]1C ZINC000170954787 533512945 /nfs/dbraw/zinc/51/29/45/533512945.db2.gz JDJADTFWMHBPAA-GFCCVEGCSA-N 0 3 201.313 3.182 20 30 BGEDHN C=C(C)CN1CCc2ccccc2[C@@H]1C ZINC000170954789 533513719 /nfs/dbraw/zinc/51/37/19/533513719.db2.gz JDJADTFWMHBPAA-LBPRGKRZSA-N 0 3 201.313 3.182 20 30 BGEDHN N#CCCCNC1(c2ccc(F)cc2)CCCC1 ZINC000170970701 351858004 /nfs/dbraw/zinc/85/80/04/351858004.db2.gz OWERSUMIOJNLPA-UHFFFAOYSA-N 0 3 246.329 3.488 20 30 BGEDHN C=CCNC1(c2ccc(F)cc2)CCCC1 ZINC000170970726 384537337 /nfs/dbraw/zinc/53/73/37/384537337.db2.gz CGRYDHNACKXQCO-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN N#CCCCCN1CCC[C@@H](c2nccs2)C1 ZINC000171037144 134256796 /nfs/dbraw/zinc/25/67/96/134256796.db2.gz SMTZCZZBUZFAFB-GFCCVEGCSA-N 0 3 249.383 3.016 20 30 BGEDHN N#CCCCCN1CCC[C@H](c2nccs2)C1 ZINC000171037148 134256629 /nfs/dbraw/zinc/25/66/29/134256629.db2.gz SMTZCZZBUZFAFB-LBPRGKRZSA-N 0 3 249.383 3.016 20 30 BGEDHN C=CCN(C)Cc1ccc2cc(OC)ccc2c1 ZINC000171118270 372324531 /nfs/dbraw/zinc/32/45/31/372324531.db2.gz NVRDWAXBFBDPIY-UHFFFAOYSA-N 0 3 241.334 3.466 20 30 BGEDHN CN(Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000171374898 372561675 /nfs/dbraw/zinc/56/16/75/372561675.db2.gz YKQIRZMVGQOIPE-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN C=CCN(CCCOC(C)C)Cc1ccccc1 ZINC000171497755 365204563 /nfs/dbraw/zinc/20/45/63/365204563.db2.gz FERIOCPJCWVBKD-UHFFFAOYSA-N 0 3 247.382 3.490 20 30 BGEDHN C[C@H](NCCCCC#N)c1cc(F)ccc1F ZINC000171982653 365266466 /nfs/dbraw/zinc/26/64/66/365266466.db2.gz QGXVYWVNJKHPNM-JTQLQIEISA-N 0 3 238.281 3.309 20 30 BGEDHN C[C@@H](NCCCCC#N)c1cc(F)ccc1F ZINC000171982655 365265625 /nfs/dbraw/zinc/26/56/25/365265625.db2.gz QGXVYWVNJKHPNM-SNVBAGLBSA-N 0 3 238.281 3.309 20 30 BGEDHN C=CCCCN(C)Cc1ccccc1OC ZINC000172173416 534708525 /nfs/dbraw/zinc/70/85/25/534708525.db2.gz AJGQTXPJVVEDFK-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCCCN(C)Cc1ccccc1F ZINC000172173468 534708305 /nfs/dbraw/zinc/70/83/05/534708305.db2.gz QTTQVIHLSCUUMC-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=CCCCN(C)Cc1ccc(OC)cc1OC ZINC000172173513 534709981 /nfs/dbraw/zinc/70/99/81/534709981.db2.gz CMRAKPZZWSPMTR-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCCCN(C)Cc1cccc(OC)c1OC ZINC000172173543 166233002 /nfs/dbraw/zinc/23/30/02/166233002.db2.gz RYBZVNGKLKMHIY-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN CC(C)CCN(CCC#N)CC1CCCC1 ZINC000172626089 365357132 /nfs/dbraw/zinc/35/71/32/365357132.db2.gz NHPIFLABRGYVDU-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCCCCCN(C)Cc1cccc(OC)n1 ZINC000172654950 134267085 /nfs/dbraw/zinc/26/70/85/134267085.db2.gz IOMWNOFEUTUADK-UHFFFAOYSA-N 0 3 248.370 3.268 20 30 BGEDHN CC(C)N(Cc1ccccc1C#N)C1CCC1 ZINC000172664262 134266836 /nfs/dbraw/zinc/26/68/36/134266836.db2.gz BXDQQEXVBDDJEI-UHFFFAOYSA-N 0 3 228.339 3.321 20 30 BGEDHN CC#CCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000172721176 359145717 /nfs/dbraw/zinc/14/57/17/359145717.db2.gz RTUFLFVWTNENFG-ZDUSSCGKSA-N 0 3 231.339 3.101 20 30 BGEDHN CC#CCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000172721183 359148045 /nfs/dbraw/zinc/14/80/45/359148045.db2.gz RTUFLFVWTNENFG-CYBMUJFWSA-N 0 3 231.339 3.101 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1ccccc1C ZINC000172722057 361687226 /nfs/dbraw/zinc/68/72/26/361687226.db2.gz FDHBXLSDCSYGKX-OAHLLOKOSA-N 0 3 213.324 3.155 20 30 BGEDHN CC#CCN1CCC[C@H]1c1ccccc1C ZINC000172722063 373057823 /nfs/dbraw/zinc/05/78/23/373057823.db2.gz FDHBXLSDCSYGKX-HNNXBMFYSA-N 0 3 213.324 3.155 20 30 BGEDHN C=C(C)CN(CC)Cc1sc(C)nc1C ZINC000172730095 398042762 /nfs/dbraw/zinc/04/27/62/398042762.db2.gz AODOXHQQQJVGFF-UHFFFAOYSA-N 0 3 224.373 3.158 20 30 BGEDHN C#CCCCNc1ccnc2ccccc21 ZINC000172779890 636557657 /nfs/dbraw/zinc/55/76/57/636557657.db2.gz AWSQHYOJROYNMC-UHFFFAOYSA-N 0 3 210.280 3.060 20 30 BGEDHN C=CC1CCN(Cc2sc(C)nc2C)CC1 ZINC000172801049 384526185 /nfs/dbraw/zinc/52/61/85/384526185.db2.gz JAQLDLATECTMLL-UHFFFAOYSA-N 0 3 236.384 3.158 20 30 BGEDHN C=CCCCN(C)Cc1sc(C)nc1C ZINC000172829544 166232398 /nfs/dbraw/zinc/23/23/98/166232398.db2.gz JVOKSHVSMWSMIA-UHFFFAOYSA-N 0 3 224.373 3.158 20 30 BGEDHN C=C(C)CN1Cc2ccccc2C[C@H]1C ZINC000172907153 134270941 /nfs/dbraw/zinc/27/09/41/134270941.db2.gz PBVAHVYMQQVVSM-GFCCVEGCSA-N 0 3 201.313 3.009 20 30 BGEDHN C=C(C)CN1Cc2ccccc2C[C@@H]1C ZINC000172907158 134270911 /nfs/dbraw/zinc/27/09/11/134270911.db2.gz PBVAHVYMQQVVSM-LBPRGKRZSA-N 0 3 201.313 3.009 20 30 BGEDHN C=CCCCNC(C)(C)c1nc(C)cs1 ZINC000173430953 166242071 /nfs/dbraw/zinc/24/20/71/166242071.db2.gz SVQCFDUVCMMFAL-UHFFFAOYSA-N 0 3 224.373 3.242 20 30 BGEDHN C=C(C)CN(CC)Cc1ccccc1N(C)C ZINC000173495792 526546792 /nfs/dbraw/zinc/54/67/92/526546792.db2.gz SPURGQRYXNRQRV-UHFFFAOYSA-N 0 3 232.371 3.151 20 30 BGEDHN C=CCCCN[C@@](C)(CC)c1nccs1 ZINC000173511094 166244390 /nfs/dbraw/zinc/24/43/90/166244390.db2.gz YCDZYYPEJMPPCC-LBPRGKRZSA-N 0 3 224.373 3.324 20 30 BGEDHN C=CCCCN[C@](C)(CC)c1nccs1 ZINC000173511103 166244425 /nfs/dbraw/zinc/24/44/25/166244425.db2.gz YCDZYYPEJMPPCC-GFCCVEGCSA-N 0 3 224.373 3.324 20 30 BGEDHN C=C(C)CN1CCC(Nc2ccccc2F)CC1 ZINC000173535908 134275288 /nfs/dbraw/zinc/27/52/88/134275288.db2.gz MMIMVTMCFQEIDI-UHFFFAOYSA-N 0 3 248.345 3.278 20 30 BGEDHN CC(C)CCN(CCC#N)CC1CCC1 ZINC000173539369 527715907 /nfs/dbraw/zinc/71/59/07/527715907.db2.gz KZGMWRYLEJBKAT-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CCCCCN(CCC#N)CCC(C)C ZINC000173540541 535023447 /nfs/dbraw/zinc/02/34/47/535023447.db2.gz ILNAOCJBOLOBQL-UHFFFAOYSA-N 0 3 210.365 3.438 20 30 BGEDHN C=CCCCN(CCC#N)CCC(C)C ZINC000173545973 134275371 /nfs/dbraw/zinc/27/53/71/134275371.db2.gz RBDXPZCMYYWLNQ-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN CCCCN(CCC#N)CC(CC)CC ZINC000173549855 134275585 /nfs/dbraw/zinc/27/55/85/134275585.db2.gz KNBIOZSJKHZKAP-UHFFFAOYSA-N 0 3 210.365 3.438 20 30 BGEDHN CCC(CC)CN(CCC#N)CC1CCC1 ZINC000173550042 384230129 /nfs/dbraw/zinc/23/01/29/384230129.db2.gz SLFWOLVMPDVABL-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CCC(CC)CN(CCC#N)CCCCC#N ZINC000173550550 535020874 /nfs/dbraw/zinc/02/08/74/535020874.db2.gz MPJCTZKPAFTMQZ-UHFFFAOYSA-N 0 3 235.375 3.332 20 30 BGEDHN C=CCCN(CCC#N)CC(CC)CC ZINC000173552246 365428489 /nfs/dbraw/zinc/42/84/89/365428489.db2.gz RPJYTWLXCFBIQX-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN CCC(CC)CN(CCC#N)CCCSC ZINC000173552943 168350291 /nfs/dbraw/zinc/35/02/91/168350291.db2.gz CWDQZEWSRRCGAF-UHFFFAOYSA-N 0 3 242.432 3.391 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)CC1CCC1 ZINC000173581806 206005511 /nfs/dbraw/zinc/00/55/11/206005511.db2.gz MHENTHOWPOIGOD-UHFFFAOYSA-N 0 3 240.350 3.346 20 30 BGEDHN Cc1cccc([C@@H](C)N2CCC(C#N)CC2)c1 ZINC000173587073 384695176 /nfs/dbraw/zinc/69/51/76/384695176.db2.gz OAFKJYTZICBALY-CYBMUJFWSA-N 0 3 228.339 3.292 20 30 BGEDHN Cc1cccc([C@H](C)N2CCC(C#N)CC2)c1 ZINC000173587085 384695461 /nfs/dbraw/zinc/69/54/61/384695461.db2.gz OAFKJYTZICBALY-ZDUSSCGKSA-N 0 3 228.339 3.292 20 30 BGEDHN CC(C)(C)CN(CCC#N)CC1CCC1 ZINC000173784504 134277344 /nfs/dbraw/zinc/27/73/44/134277344.db2.gz PMEZHKIQCUDHSV-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C=CCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000173943740 384292102 /nfs/dbraw/zinc/29/21/02/384292102.db2.gz RMUDGKHCWLSQJH-LBPRGKRZSA-N 0 3 224.373 3.242 20 30 BGEDHN C=CCCN[C@](C)(CC)c1nc(C)cs1 ZINC000173943752 205552226 /nfs/dbraw/zinc/55/22/26/205552226.db2.gz RMUDGKHCWLSQJH-GFCCVEGCSA-N 0 3 224.373 3.242 20 30 BGEDHN C=CCCNC(C)(C)c1nc(C)c(C)s1 ZINC000173957417 205552428 /nfs/dbraw/zinc/55/24/28/205552428.db2.gz OILNWOIBMNYOKC-UHFFFAOYSA-N 0 3 224.373 3.161 20 30 BGEDHN C=CCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000174042144 526519861 /nfs/dbraw/zinc/51/98/61/526519861.db2.gz AEIROSZFBJTNGX-BXUZGUMPSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000174042156 526519176 /nfs/dbraw/zinc/51/91/76/526519176.db2.gz AEIROSZFBJTNGX-SMDDNHRTSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000174042166 526519762 /nfs/dbraw/zinc/51/97/62/526519762.db2.gz AEIROSZFBJTNGX-RISCZKNCSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000174042180 526519340 /nfs/dbraw/zinc/51/93/40/526519340.db2.gz AEIROSZFBJTNGX-FZMZJTMJSA-N 0 3 219.303 3.395 20 30 BGEDHN CC#CCN1CC[C@H](CSc2ccccc2)C1 ZINC000174145290 363057424 /nfs/dbraw/zinc/05/74/24/363057424.db2.gz XYDZCMDTLITCTC-AWEZNQCLSA-N 0 3 245.391 3.124 20 30 BGEDHN CC#CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000174145306 363057347 /nfs/dbraw/zinc/05/73/47/363057347.db2.gz XYDZCMDTLITCTC-CQSZACIVSA-N 0 3 245.391 3.124 20 30 BGEDHN C#CCCCN[C@@H](C)c1ccc(F)cc1F ZINC000174274447 166132681 /nfs/dbraw/zinc/13/26/81/166132681.db2.gz TWTHBDQZJGYFMK-JTQLQIEISA-N 0 3 223.266 3.029 20 30 BGEDHN C#CCCCN[C@H](C)c1ccc(F)cc1F ZINC000174274463 166133309 /nfs/dbraw/zinc/13/33/09/166133309.db2.gz TWTHBDQZJGYFMK-SNVBAGLBSA-N 0 3 223.266 3.029 20 30 BGEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000174301493 176139804 /nfs/dbraw/zinc/13/98/04/176139804.db2.gz ZOLBSNQASRHVDS-NEPJUHHUSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@H]1CCC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000174301504 177133152 /nfs/dbraw/zinc/13/31/52/177133152.db2.gz ZOLBSNQASRHVDS-RYUDHWBXSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000174301518 176118684 /nfs/dbraw/zinc/11/86/84/176118684.db2.gz ZOLBSNQASRHVDS-VXGBXAGGSA-N 0 3 232.327 3.067 20 30 BGEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000174301532 177118958 /nfs/dbraw/zinc/11/89/58/177118958.db2.gz ZOLBSNQASRHVDS-NWDGAFQWSA-N 0 3 232.327 3.067 20 30 BGEDHN CC(C)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174347840 374184317 /nfs/dbraw/zinc/18/43/17/374184317.db2.gz MZTBOHZWEJBHDW-OLZOCXBDSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174347856 374183195 /nfs/dbraw/zinc/18/31/95/374183195.db2.gz MZTBOHZWEJBHDW-STQMWFEESA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174347873 374184136 /nfs/dbraw/zinc/18/41/36/374184136.db2.gz MZTBOHZWEJBHDW-CHWSQXEVSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174347884 374183957 /nfs/dbraw/zinc/18/39/57/374183957.db2.gz MZTBOHZWEJBHDW-QWHCGFSZSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)(C)CCCCNCc1ccc(C#N)o1 ZINC000174348470 374184493 /nfs/dbraw/zinc/18/44/93/374184493.db2.gz QRAVEZWABYWFIB-UHFFFAOYSA-N 0 3 234.343 3.457 20 30 BGEDHN CC1CCC(C)(NCc2ccc(C#N)o2)CC1 ZINC000174375138 168151557 /nfs/dbraw/zinc/15/15/57/168151557.db2.gz DUQJXRYLPSGKSL-UHFFFAOYSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@@H](CCC(C)(C)C)NCc1ccc(C#N)o1 ZINC000174410694 384326150 /nfs/dbraw/zinc/32/61/50/384326150.db2.gz HTGLHHBRYAESNH-NSHDSACASA-N 0 3 234.343 3.456 20 30 BGEDHN C[C@H](CCC(C)(C)C)NCc1ccc(C#N)o1 ZINC000174410706 384324906 /nfs/dbraw/zinc/32/49/06/384324906.db2.gz HTGLHHBRYAESNH-LLVKDONJSA-N 0 3 234.343 3.456 20 30 BGEDHN C=CCCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174457337 134281729 /nfs/dbraw/zinc/28/17/29/134281729.db2.gz SLLKMOSGQISNOL-HIFRSBDPSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174457354 134281676 /nfs/dbraw/zinc/28/16/76/134281676.db2.gz SLLKMOSGQISNOL-ZFWWWQNUSA-N 0 3 231.339 3.025 20 30 BGEDHN CCN(CCCC#N)[C@@H](C)c1cccc(O)c1 ZINC000174619386 384816506 /nfs/dbraw/zinc/81/65/06/384816506.db2.gz VZSKYUSHARJQJK-LBPRGKRZSA-N 0 3 232.327 3.079 20 30 BGEDHN CCN(CCCC#N)[C@H](C)c1cccc(O)c1 ZINC000174619399 384817113 /nfs/dbraw/zinc/81/71/13/384817113.db2.gz VZSKYUSHARJQJK-GFCCVEGCSA-N 0 3 232.327 3.079 20 30 BGEDHN N#CCCN(CC1CC1)CC1CCCCC1 ZINC000174690194 134283300 /nfs/dbraw/zinc/28/33/00/134283300.db2.gz XVURWJQEJRWYNV-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN N#CCCN(CCC1CCCC1)CC1CC1 ZINC000174693766 229392189 /nfs/dbraw/zinc/39/21/89/229392189.db2.gz CSEPLIZHYKMZTM-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN Cc1noc(C)c1CN(C)CCCC(C)(C)C#N ZINC000174818985 641870967 /nfs/dbraw/zinc/87/09/67/641870967.db2.gz NYZQDLPFWFJQDJ-UHFFFAOYSA-N 0 3 249.358 3.053 20 30 BGEDHN C=C(C)CNC(C)(C)c1ccccc1OC ZINC000174846381 192026318 /nfs/dbraw/zinc/02/63/18/192026318.db2.gz WEIRIKRAYWXVIJ-UHFFFAOYSA-N 0 3 219.328 3.096 20 30 BGEDHN C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000174854085 384841600 /nfs/dbraw/zinc/84/16/00/384841600.db2.gz LGERFMLKJJSYDL-UHFFFAOYSA-N 0 3 246.354 3.154 20 30 BGEDHN C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1[O-] ZINC000174854085 384841592 /nfs/dbraw/zinc/84/15/92/384841592.db2.gz LGERFMLKJJSYDL-UHFFFAOYSA-N 0 3 246.354 3.154 20 30 BGEDHN C=C(C)CN[C@@H](c1ncccc1C)C(C)C ZINC000174864827 384376164 /nfs/dbraw/zinc/37/61/64/384376164.db2.gz LJRFGKVSHIWFQM-CYBMUJFWSA-N 0 3 218.344 3.253 20 30 BGEDHN C=C(C)CN[C@H](c1ncccc1C)C(C)C ZINC000174864837 206006103 /nfs/dbraw/zinc/00/61/03/206006103.db2.gz LJRFGKVSHIWFQM-ZDUSSCGKSA-N 0 3 218.344 3.253 20 30 BGEDHN C=C(C)CN1CCCC[C@@H]1c1cccn1C ZINC000175118232 188079604 /nfs/dbraw/zinc/07/96/04/188079604.db2.gz GQALKYNVSQDZJA-CQSZACIVSA-N 0 3 218.344 3.128 20 30 BGEDHN C=C(C)CN1CCCC[C@H]1c1cccn1C ZINC000175118251 188252650 /nfs/dbraw/zinc/25/26/50/188252650.db2.gz GQALKYNVSQDZJA-AWEZNQCLSA-N 0 3 218.344 3.128 20 30 BGEDHN Cn1cccc1[C@@H]1CCCCN1CCCCC#N ZINC000175126981 384871601 /nfs/dbraw/zinc/87/16/01/384871601.db2.gz DKXIZZIXHLFNMT-HNNXBMFYSA-N 0 3 245.370 3.246 20 30 BGEDHN Cn1cccc1[C@H]1CCCCN1CCCCC#N ZINC000175126994 384870972 /nfs/dbraw/zinc/87/09/72/384870972.db2.gz DKXIZZIXHLFNMT-OAHLLOKOSA-N 0 3 245.370 3.246 20 30 BGEDHN C=CCN(C)Cc1cc2ccccc2o1 ZINC000175176792 388425201 /nfs/dbraw/zinc/42/52/01/388425201.db2.gz UVHGIKYBAAXMCF-UHFFFAOYSA-N 0 3 201.269 3.051 20 30 BGEDHN C=C(C)CN(C)Cc1cc2ccccc2o1 ZINC000175178188 134286051 /nfs/dbraw/zinc/28/60/51/134286051.db2.gz BUPFOMRZNUNRCI-UHFFFAOYSA-N 0 3 215.296 3.441 20 30 BGEDHN CN(CCCC#N)Cc1cc2ccccc2o1 ZINC000175189092 384878995 /nfs/dbraw/zinc/87/89/95/384878995.db2.gz LOJXPQXCYYQKHF-UHFFFAOYSA-N 0 3 228.295 3.168 20 30 BGEDHN C=C(Br)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000175800845 643388620 /nfs/dbraw/zinc/38/86/20/643388620.db2.gz IONXKVBRVNQPPU-PHIMTYICSA-N 0 3 244.176 3.017 20 30 BGEDHN C=C(Br)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000175800862 636563625 /nfs/dbraw/zinc/56/36/25/636563625.db2.gz IONXKVBRVNQPPU-GHMZBOCLSA-N 0 3 244.176 3.017 20 30 BGEDHN C=C(Br)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000175800875 643388642 /nfs/dbraw/zinc/38/86/42/643388642.db2.gz IONXKVBRVNQPPU-QWRGUYRKSA-N 0 3 244.176 3.017 20 30 BGEDHN Cc1ccccc1CCCN1CCC(C#N)CC1 ZINC000175901727 384979268 /nfs/dbraw/zinc/97/92/68/384979268.db2.gz FYFWOERECKOWSC-UHFFFAOYSA-N 0 3 242.366 3.163 20 30 BGEDHN C=C(C)CN(C)Cc1cc(OC)c(OC)cc1C ZINC000176052288 188253444 /nfs/dbraw/zinc/25/34/44/188253444.db2.gz XYDPFWADTGXMKF-UHFFFAOYSA-N 0 3 249.354 3.020 20 30 BGEDHN CC(C)(C)CCN(CCC#N)CC1CC1 ZINC000176257998 365702470 /nfs/dbraw/zinc/70/24/70/365702470.db2.gz WOONIZZYBVRYDQ-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C#CCN(Cc1sc(C)nc1C)C1CCCC1 ZINC000176381124 388452645 /nfs/dbraw/zinc/45/26/45/388452645.db2.gz MBCRVKSTVDWEIO-UHFFFAOYSA-N 0 3 248.395 3.138 20 30 BGEDHN C#CCN(Cc1ccnc(Cl)c1)C1CCCC1 ZINC000176382749 388452210 /nfs/dbraw/zinc/45/22/10/388452210.db2.gz LARGLRKVNMDRTA-UHFFFAOYSA-N 0 3 248.757 3.113 20 30 BGEDHN CC1(C)CCC[C@@H]1NCc1ccccc1C#N ZINC000176668262 134293184 /nfs/dbraw/zinc/29/31/84/134293184.db2.gz ZYMNWQPGJIXPHI-AWEZNQCLSA-N 0 3 228.339 3.227 20 30 BGEDHN CC1(C)CCC[C@H]1NCc1ccccc1C#N ZINC000176668278 535308976 /nfs/dbraw/zinc/30/89/76/535308976.db2.gz ZYMNWQPGJIXPHI-CQSZACIVSA-N 0 3 228.339 3.227 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000176828781 384789531 /nfs/dbraw/zinc/78/95/31/384789531.db2.gz BLEWQOWVXFDNGI-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000176828801 385170615 /nfs/dbraw/zinc/17/06/15/385170615.db2.gz BLEWQOWVXFDNGI-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC1(C)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000176856941 346918628 /nfs/dbraw/zinc/91/86/28/346918628.db2.gz QKRCUQPUGVGRPV-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CCCN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000176858103 169175586 /nfs/dbraw/zinc/17/55/86/169175586.db2.gz NJIYOKSNVVZQAR-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000176899851 397784933 /nfs/dbraw/zinc/78/49/33/397784933.db2.gz DNLVBHBGUPVTJQ-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000176899864 397785114 /nfs/dbraw/zinc/78/51/14/397785114.db2.gz DNLVBHBGUPVTJQ-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C=C(Cl)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000176928789 632631267 /nfs/dbraw/zinc/63/12/67/632631267.db2.gz AAXIKVIPQBQCKZ-QWRGUYRKSA-N 0 3 231.792 3.099 20 30 BGEDHN C=C(Cl)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000176928803 632629678 /nfs/dbraw/zinc/62/96/78/632629678.db2.gz AAXIKVIPQBQCKZ-WDEREUQCSA-N 0 3 231.792 3.099 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000176981974 365951935 /nfs/dbraw/zinc/95/19/35/365951935.db2.gz FAKNHTJRXDWNOW-RISCZKNCSA-N 0 3 246.354 3.456 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000176981985 365951855 /nfs/dbraw/zinc/95/18/55/365951855.db2.gz FAKNHTJRXDWNOW-FZMZJTMJSA-N 0 3 246.354 3.456 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1ccc(C#N)o1 ZINC000176982002 365951356 /nfs/dbraw/zinc/95/13/56/365951356.db2.gz FAKNHTJRXDWNOW-BXUZGUMPSA-N 0 3 246.354 3.456 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1ccc(C#N)o1 ZINC000176982013 365952046 /nfs/dbraw/zinc/95/20/46/365952046.db2.gz FAKNHTJRXDWNOW-SMDDNHRTSA-N 0 3 246.354 3.456 20 30 BGEDHN CCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000177019402 384846576 /nfs/dbraw/zinc/84/65/76/384846576.db2.gz RWJZIIXRIFGSBT-UHFFFAOYSA-N 0 3 233.742 3.176 20 30 BGEDHN C[C@@H](CC#N)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177027125 397839975 /nfs/dbraw/zinc/83/99/75/397839975.db2.gz JAPGMKYUWULYLW-XQQFMLRXSA-N 0 3 216.328 3.070 20 30 BGEDHN C[C@H](CC#N)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000177027137 134293747 /nfs/dbraw/zinc/29/37/47/134293747.db2.gz JAPGMKYUWULYLW-UPJWGTAASA-N 0 3 216.328 3.070 20 30 BGEDHN C[C@@H](N[C@@H](C)CC#N)[C@@H](C)c1ccccc1 ZINC000177027148 175639357 /nfs/dbraw/zinc/63/93/57/175639357.db2.gz JAPGMKYUWULYLW-YNEHKIRRSA-N 0 3 216.328 3.070 20 30 BGEDHN C[C@H](CC#N)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177027159 134293865 /nfs/dbraw/zinc/29/38/65/134293865.db2.gz JAPGMKYUWULYLW-JHJVBQTASA-N 0 3 216.328 3.070 20 30 BGEDHN CN(CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177035080 387914666 /nfs/dbraw/zinc/91/46/66/387914666.db2.gz ZYIKHTDERDBFCY-UHFFFAOYSA-N 0 3 233.742 3.033 20 30 BGEDHN C[C@@H](C1CC1)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177047178 541502602 /nfs/dbraw/zinc/50/26/02/541502602.db2.gz HUIMTYPGRVHRTE-LBPRGKRZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H](C1CC1)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177047191 541502445 /nfs/dbraw/zinc/50/24/45/541502445.db2.gz HUIMTYPGRVHRTE-GFCCVEGCSA-N 0 3 247.769 3.422 20 30 BGEDHN CCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000177081369 206006710 /nfs/dbraw/zinc/00/67/10/206006710.db2.gz KEUOUMXKAUHKPS-UHFFFAOYSA-N 0 3 221.731 3.033 20 30 BGEDHN CCN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000177088072 206006693 /nfs/dbraw/zinc/00/66/93/206006693.db2.gz XROYVNOTHWTYKS-UHFFFAOYSA-N 0 3 235.758 3.422 20 30 BGEDHN CC[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177105292 384874100 /nfs/dbraw/zinc/87/41/00/384874100.db2.gz MSROZOCRVGPREV-GFCCVEGCSA-N 0 3 235.758 3.422 20 30 BGEDHN CC[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 ZINC000177105309 384872030 /nfs/dbraw/zinc/87/20/30/384872030.db2.gz MSROZOCRVGPREV-LBPRGKRZSA-N 0 3 235.758 3.422 20 30 BGEDHN C=CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000177159062 365983696 /nfs/dbraw/zinc/98/36/96/365983696.db2.gz UOIPOCIHKRONSH-LBPRGKRZSA-N 0 3 216.328 3.041 20 30 BGEDHN C=CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000177159073 365983689 /nfs/dbraw/zinc/98/36/89/365983689.db2.gz UOIPOCIHKRONSH-GFCCVEGCSA-N 0 3 216.328 3.041 20 30 BGEDHN CN(CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000177160827 384895732 /nfs/dbraw/zinc/89/57/32/384895732.db2.gz HRNAMDCYIVVEFS-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C=CCCNC1(c2nccs2)CCCC1 ZINC000177167422 166267537 /nfs/dbraw/zinc/26/75/37/166267537.db2.gz LNERXLOKSWJDMM-UHFFFAOYSA-N 0 3 222.357 3.078 20 30 BGEDHN C=CCCCNC1(c2nccs2)CCCC1 ZINC000177167517 384882840 /nfs/dbraw/zinc/88/28/40/384882840.db2.gz TXPNCVSLQWOPDZ-UHFFFAOYSA-N 0 3 236.384 3.468 20 30 BGEDHN CCN(CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177168278 388476717 /nfs/dbraw/zinc/47/67/17/388476717.db2.gz QUIRVNWLIPCSFC-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C=CCCNC1(c2nc(C)cs2)CCCC1 ZINC000177172014 166266357 /nfs/dbraw/zinc/26/63/57/166266357.db2.gz FGPFXEHNVAFMRI-UHFFFAOYSA-N 0 3 236.384 3.387 20 30 BGEDHN N#CCCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000177199213 134296344 /nfs/dbraw/zinc/29/63/44/134296344.db2.gz HTDYXBPIFNQGPR-CHWSQXEVSA-N 0 3 238.400 3.040 20 30 BGEDHN N#CCCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000177199225 134296080 /nfs/dbraw/zinc/29/60/80/134296080.db2.gz HTDYXBPIFNQGPR-OLZOCXBDSA-N 0 3 238.400 3.040 20 30 BGEDHN N#CCCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177199237 134296192 /nfs/dbraw/zinc/29/61/92/134296192.db2.gz HTDYXBPIFNQGPR-QWHCGFSZSA-N 0 3 238.400 3.040 20 30 BGEDHN N#CCCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000177199251 134296303 /nfs/dbraw/zinc/29/63/03/134296303.db2.gz HTDYXBPIFNQGPR-STQMWFEESA-N 0 3 238.400 3.040 20 30 BGEDHN C=CCCCN(C)[C@@H](C)c1ccccn1 ZINC000177204491 166232491 /nfs/dbraw/zinc/23/24/91/166232491.db2.gz KYEFFGJOKOEGSG-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=CCCCN(C)[C@H](C)c1ccccn1 ZINC000177204507 166234343 /nfs/dbraw/zinc/23/43/43/166234343.db2.gz KYEFFGJOKOEGSG-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C[C@H](N(C)Cc1ccccc1C#N)C1(C)CC1 ZINC000177234009 385212613 /nfs/dbraw/zinc/21/26/13/385212613.db2.gz HUMOEUGMGUMBAA-LBPRGKRZSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H](N(C)Cc1ccccc1C#N)C1(C)CC1 ZINC000177234026 385213158 /nfs/dbraw/zinc/21/31/58/385213158.db2.gz HUMOEUGMGUMBAA-GFCCVEGCSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@H](N(C)Cc1ccc(C#N)cc1F)C1(C)CC1 ZINC000177236561 385213081 /nfs/dbraw/zinc/21/30/81/385213081.db2.gz NJYPADQQQLJTBA-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1F)C1(C)CC1 ZINC000177236581 385212770 /nfs/dbraw/zinc/21/27/70/385212770.db2.gz NJYPADQQQLJTBA-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](N(C)Cc1cc(C#N)ccc1F)C1(C)CC1 ZINC000177252193 384932182 /nfs/dbraw/zinc/93/21/82/384932182.db2.gz IWSSIERNLPUIFV-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](N(C)Cc1cc(C#N)ccc1F)C1(C)CC1 ZINC000177252206 384930997 /nfs/dbraw/zinc/93/09/97/384930997.db2.gz IWSSIERNLPUIFV-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000177311359 387917324 /nfs/dbraw/zinc/91/73/24/387917324.db2.gz MBYTZXHLDMMKJU-UHFFFAOYSA-N 0 3 233.742 3.176 20 30 BGEDHN CCN(Cc1cc(F)ccc1C#N)CC(C)C ZINC000177323265 385221250 /nfs/dbraw/zinc/22/12/50/385221250.db2.gz UZPXJGRVMNUPRS-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177358353 384983036 /nfs/dbraw/zinc/98/30/36/384983036.db2.gz KHFJXVDINVVOPG-GFCCVEGCSA-N 0 3 233.742 3.176 20 30 BGEDHN C[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177358368 384981278 /nfs/dbraw/zinc/98/12/78/384981278.db2.gz KHFJXVDINVVOPG-LBPRGKRZSA-N 0 3 233.742 3.176 20 30 BGEDHN C=C(C)CN1CCC(OCC2CCCC2)CC1 ZINC000177481086 134297658 /nfs/dbraw/zinc/29/76/58/134297658.db2.gz GOBDJYVQAZTDDO-UHFFFAOYSA-N 0 3 237.387 3.234 20 30 BGEDHN N#Cc1ccccc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177517131 134298414 /nfs/dbraw/zinc/29/84/14/134298414.db2.gz GMQNGWOMACZAHW-IYBDPMFKSA-N 0 3 240.350 3.180 20 30 BGEDHN N#Cc1ccccc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177517149 134298746 /nfs/dbraw/zinc/29/87/46/134298746.db2.gz GMQNGWOMACZAHW-HZPDHXFCSA-N 0 3 240.350 3.180 20 30 BGEDHN N#Cc1ccccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177517169 134298616 /nfs/dbraw/zinc/29/86/16/134298616.db2.gz GMQNGWOMACZAHW-HOTGVXAUSA-N 0 3 240.350 3.180 20 30 BGEDHN C[C@@H]1CN(CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827846 136274251 /nfs/dbraw/zinc/27/42/51/136274251.db2.gz NCVDWWGCSWRRSM-HIFRSBDPSA-N 0 3 228.339 3.373 20 30 BGEDHN C[C@H]1CN(CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827859 136274177 /nfs/dbraw/zinc/27/41/77/136274177.db2.gz NCVDWWGCSWRRSM-ZFWWWQNUSA-N 0 3 228.339 3.373 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177857645 385145942 /nfs/dbraw/zinc/14/59/42/385145942.db2.gz AFUDWRJQGKMRMA-NWDGAFQWSA-N 0 3 246.329 3.388 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177857659 385142256 /nfs/dbraw/zinc/14/22/56/385142256.db2.gz AFUDWRJQGKMRMA-VXGBXAGGSA-N 0 3 246.329 3.388 20 30 BGEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000177857670 385142730 /nfs/dbraw/zinc/14/27/30/385142730.db2.gz AFUDWRJQGKMRMA-RYUDHWBXSA-N 0 3 246.329 3.388 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000177857679 385141191 /nfs/dbraw/zinc/14/11/91/385141191.db2.gz AFUDWRJQGKMRMA-NEPJUHHUSA-N 0 3 246.329 3.388 20 30 BGEDHN N#Cc1ccccc1SCCN1CCCCC1 ZINC000178253327 384879855 /nfs/dbraw/zinc/87/98/55/384879855.db2.gz YJFAELPUXBOYLJ-UHFFFAOYSA-N 0 3 246.379 3.136 20 30 BGEDHN C=CCN(Cc1ccccc1F)CC1CC1 ZINC000178302745 134306106 /nfs/dbraw/zinc/30/61/06/134306106.db2.gz DJJRUTMXLUWKDK-UHFFFAOYSA-N 0 3 219.303 3.224 20 30 BGEDHN CC[N@@H+](CCCCC#N)[C@@H](C)c1cccc([O-])c1 ZINC000178376534 385241299 /nfs/dbraw/zinc/24/12/99/385241299.db2.gz ZHMFLFRQEHKLMT-ZDUSSCGKSA-N 0 3 246.354 3.469 20 30 BGEDHN CC[N@H+](CCCCC#N)[C@@H](C)c1cccc([O-])c1 ZINC000178376534 385241290 /nfs/dbraw/zinc/24/12/90/385241290.db2.gz ZHMFLFRQEHKLMT-ZDUSSCGKSA-N 0 3 246.354 3.469 20 30 BGEDHN CC[N@@H+](CCCCC#N)[C@H](C)c1cccc([O-])c1 ZINC000178376546 385241167 /nfs/dbraw/zinc/24/11/67/385241167.db2.gz ZHMFLFRQEHKLMT-CYBMUJFWSA-N 0 3 246.354 3.469 20 30 BGEDHN CC[N@H+](CCCCC#N)[C@H](C)c1cccc([O-])c1 ZINC000178376546 385241162 /nfs/dbraw/zinc/24/11/62/385241162.db2.gz ZHMFLFRQEHKLMT-CYBMUJFWSA-N 0 3 246.354 3.469 20 30 BGEDHN C=CCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000178380306 166262158 /nfs/dbraw/zinc/26/21/58/166262158.db2.gz QJJRPWHIHAKURT-LBPRGKRZSA-N 0 3 219.328 3.351 20 30 BGEDHN C=CCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000178380306 166262153 /nfs/dbraw/zinc/26/21/53/166262153.db2.gz QJJRPWHIHAKURT-LBPRGKRZSA-N 0 3 219.328 3.351 20 30 BGEDHN C=CCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000178380318 166262500 /nfs/dbraw/zinc/26/25/00/166262500.db2.gz QJJRPWHIHAKURT-GFCCVEGCSA-N 0 3 219.328 3.351 20 30 BGEDHN C=CCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000178380318 166262497 /nfs/dbraw/zinc/26/24/97/166262497.db2.gz QJJRPWHIHAKURT-GFCCVEGCSA-N 0 3 219.328 3.351 20 30 BGEDHN CN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178514601 136274579 /nfs/dbraw/zinc/27/45/79/136274579.db2.gz KQEPUDICCOWVMI-UHFFFAOYSA-N 0 3 228.339 3.082 20 30 BGEDHN CN(CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000178673954 387926498 /nfs/dbraw/zinc/92/64/98/387926498.db2.gz AOVOSOHSUVFGPV-UHFFFAOYSA-N 0 3 231.314 3.052 20 30 BGEDHN CCN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000178911182 366179836 /nfs/dbraw/zinc/17/98/36/366179836.db2.gz PWXCUFIXFKXMKA-UHFFFAOYSA-N 0 3 233.742 3.176 20 30 BGEDHN CC(C)CN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000178911772 385346872 /nfs/dbraw/zinc/34/68/72/385346872.db2.gz WMZKIUKWPRHJLY-UHFFFAOYSA-N 0 3 245.341 3.298 20 30 BGEDHN CCN(CC#Cc1ccc(F)cc1)CC(C)C ZINC000178912397 366180508 /nfs/dbraw/zinc/18/05/08/366180508.db2.gz VWZMJBXOZRERRS-UHFFFAOYSA-N 0 3 233.330 3.155 20 30 BGEDHN CC(C)CCN(C)CC#Cc1ccc(F)cc1 ZINC000178919232 538953939 /nfs/dbraw/zinc/95/39/39/538953939.db2.gz KXRQAHUZHNBMMN-UHFFFAOYSA-N 0 3 233.330 3.155 20 30 BGEDHN C=CCC[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000178956619 166302555 /nfs/dbraw/zinc/30/25/55/166302555.db2.gz GKMVJYDWEVRZCQ-HNNXBMFYSA-N 0 3 241.338 3.207 20 30 BGEDHN C=CCC[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000178956619 166302554 /nfs/dbraw/zinc/30/25/54/166302554.db2.gz GKMVJYDWEVRZCQ-HNNXBMFYSA-N 0 3 241.338 3.207 20 30 BGEDHN C=CCC[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000178956626 166294700 /nfs/dbraw/zinc/29/47/00/166294700.db2.gz GKMVJYDWEVRZCQ-OAHLLOKOSA-N 0 3 241.338 3.207 20 30 BGEDHN C=CCC[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000178956626 166294696 /nfs/dbraw/zinc/29/46/96/166294696.db2.gz GKMVJYDWEVRZCQ-OAHLLOKOSA-N 0 3 241.338 3.207 20 30 BGEDHN CCCN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000178971424 366195412 /nfs/dbraw/zinc/19/54/12/366195412.db2.gz XLZFPCDKSYOIBE-UHFFFAOYSA-N 0 3 231.314 3.052 20 30 BGEDHN CC[C@@H](C)CN(C)CC#Cc1ccc(F)cc1 ZINC000179032126 366201646 /nfs/dbraw/zinc/20/16/46/366201646.db2.gz RGZVJIKLXXLTNZ-CYBMUJFWSA-N 0 3 233.330 3.155 20 30 BGEDHN CC[C@H](C)CN(C)CC#Cc1ccc(F)cc1 ZINC000179032135 366200698 /nfs/dbraw/zinc/20/06/98/366200698.db2.gz RGZVJIKLXXLTNZ-ZDUSSCGKSA-N 0 3 233.330 3.155 20 30 BGEDHN Cc1cc(C)nc(NCc2ccc(C#N)s2)c1 ZINC000179088555 366204401 /nfs/dbraw/zinc/20/44/01/366204401.db2.gz USUAMVRVXXPXJL-UHFFFAOYSA-N 0 3 243.335 3.244 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(COC)c1 ZINC000179190971 387928713 /nfs/dbraw/zinc/92/87/13/387928713.db2.gz HACYORFBZJRXFO-UHFFFAOYSA-N 0 3 233.355 3.231 20 30 BGEDHN C=CCN(CC=C)Cc1cccc(COC)c1 ZINC000179195012 166338031 /nfs/dbraw/zinc/33/80/31/166338031.db2.gz CJBKGMHLZDSDFQ-UHFFFAOYSA-N 0 3 231.339 3.007 20 30 BGEDHN CCN(Cc1cc(C#N)cs1)CC(C)C ZINC000179302327 384845047 /nfs/dbraw/zinc/84/50/47/384845047.db2.gz NBLBGNXXJGBJNX-UHFFFAOYSA-N 0 3 222.357 3.098 20 30 BGEDHN C#CCCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000179436512 632712960 /nfs/dbraw/zinc/71/29/60/632712960.db2.gz ZPNQVXZZOWBRLR-NSHDSACASA-N 0 3 248.395 3.086 20 30 BGEDHN C#CCCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000179436520 632712926 /nfs/dbraw/zinc/71/29/26/632712926.db2.gz ZPNQVXZZOWBRLR-LLVKDONJSA-N 0 3 248.395 3.086 20 30 BGEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)s1)C1CC1 ZINC000179513792 384954614 /nfs/dbraw/zinc/95/46/14/384954614.db2.gz QRVQOYQQPFHGPE-JTQLQIEISA-N 0 3 246.379 3.383 20 30 BGEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)s1)C1CC1 ZINC000179513800 384955809 /nfs/dbraw/zinc/95/58/09/384955809.db2.gz QRVQOYQQPFHGPE-SNVBAGLBSA-N 0 3 246.379 3.383 20 30 BGEDHN CC(C)Oc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000179533779 346988072 /nfs/dbraw/zinc/98/80/72/346988072.db2.gz BHXWNMFKUJFQNK-CYBMUJFWSA-N 0 3 246.354 3.428 20 30 BGEDHN CC(C)Oc1ccc([C@H](C)NCCCC#N)cc1 ZINC000179533788 346987841 /nfs/dbraw/zinc/98/78/41/346987841.db2.gz BHXWNMFKUJFQNK-ZDUSSCGKSA-N 0 3 246.354 3.428 20 30 BGEDHN C=C(C)CNC(C)(C)c1cccc(F)c1 ZINC000179582065 385375797 /nfs/dbraw/zinc/37/57/97/385375797.db2.gz JJNTZLVLQQBVDK-UHFFFAOYSA-N 0 3 207.292 3.227 20 30 BGEDHN C=CCNC(C)(C)c1cccc(Cl)c1 ZINC000179602560 385379359 /nfs/dbraw/zinc/37/93/59/385379359.db2.gz RLPVAMJAGZMDKX-UHFFFAOYSA-N 0 3 209.720 3.351 20 30 BGEDHN CC(C)(NCCCC#N)c1cccc(Cl)c1 ZINC000179607513 134322733 /nfs/dbraw/zinc/32/27/33/134322733.db2.gz YIEPYJRTAMXAHQ-UHFFFAOYSA-N 0 3 236.746 3.468 20 30 BGEDHN C=CCN[C@@H](CC)c1ccc(F)cc1F ZINC000179625030 385379318 /nfs/dbraw/zinc/37/93/18/385379318.db2.gz JZOUUSWPHPNVTL-LBPRGKRZSA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCN[C@H](CC)c1ccc(F)cc1F ZINC000179625047 385378479 /nfs/dbraw/zinc/37/84/79/385378479.db2.gz JZOUUSWPHPNVTL-GFCCVEGCSA-N 0 3 211.255 3.192 20 30 BGEDHN C=C(C)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179636587 188252747 /nfs/dbraw/zinc/25/27/47/188252747.db2.gz ZWVNBSJKWOSTHB-GFCCVEGCSA-N 0 3 249.354 3.239 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179636597 491067221 /nfs/dbraw/zinc/06/72/21/491067221.db2.gz ZWVNBSJKWOSTHB-LBPRGKRZSA-N 0 3 249.354 3.239 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000179653323 176099416 /nfs/dbraw/zinc/09/94/16/176099416.db2.gz BHKKAMFLYMPQTI-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000179653337 177100511 /nfs/dbraw/zinc/10/05/11/177100511.db2.gz BHKKAMFLYMPQTI-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1OC ZINC000179659715 266357411 /nfs/dbraw/zinc/35/74/11/266357411.db2.gz SBZNJRUOQQZOTQ-GFCCVEGCSA-N 0 3 246.354 3.045 20 30 BGEDHN CC[C@H](C)CN(C)Cc1ccc(C#N)cc1OC ZINC000179659727 385018553 /nfs/dbraw/zinc/01/85/53/385018553.db2.gz SBZNJRUOQQZOTQ-LBPRGKRZSA-N 0 3 246.354 3.045 20 30 BGEDHN C=CCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179670240 490152382 /nfs/dbraw/zinc/15/23/82/490152382.db2.gz VKLGUADWSHWTQH-GFCCVEGCSA-N 0 3 219.328 3.310 20 30 BGEDHN C=CCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179670252 385378969 /nfs/dbraw/zinc/37/89/69/385378969.db2.gz VKLGUADWSHWTQH-LBPRGKRZSA-N 0 3 219.328 3.310 20 30 BGEDHN C=CCNC1(c2cccc(Cl)c2)CC1 ZINC000179670841 385379829 /nfs/dbraw/zinc/37/98/29/385379829.db2.gz QEIOHOQNYQNAPW-UHFFFAOYSA-N 0 3 207.704 3.105 20 30 BGEDHN CC#CCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179671176 366282377 /nfs/dbraw/zinc/28/23/77/366282377.db2.gz OMMOMZHMEUTUEX-ZDUSSCGKSA-N 0 3 231.339 3.148 20 30 BGEDHN CC#CCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179671185 366282445 /nfs/dbraw/zinc/28/24/45/366282445.db2.gz OMMOMZHMEUTUEX-CYBMUJFWSA-N 0 3 231.339 3.148 20 30 BGEDHN C=C(C)CNC1(c2cccc(Cl)c2)CC1 ZINC000179679333 385378145 /nfs/dbraw/zinc/37/81/45/385378145.db2.gz DIAMSXYBTHIUAY-UHFFFAOYSA-N 0 3 221.731 3.495 20 30 BGEDHN CC(C)Oc1cccc([C@@H](C)NCCCC#N)c1 ZINC000179681900 346992655 /nfs/dbraw/zinc/99/26/55/346992655.db2.gz OGFMYDXMJQRFDD-CYBMUJFWSA-N 0 3 246.354 3.428 20 30 BGEDHN CC(C)Oc1cccc([C@H](C)NCCCC#N)c1 ZINC000179681912 346992491 /nfs/dbraw/zinc/99/24/91/346992491.db2.gz OGFMYDXMJQRFDD-ZDUSSCGKSA-N 0 3 246.354 3.428 20 30 BGEDHN C=CCN[C@@H](CC)c1ccccc1OCC ZINC000179740384 206010360 /nfs/dbraw/zinc/01/03/60/206010360.db2.gz RVHMPOVIVJNURP-ZDUSSCGKSA-N 0 3 219.328 3.312 20 30 BGEDHN C=CCN[C@H](CC)c1ccccc1OCC ZINC000179740399 385381510 /nfs/dbraw/zinc/38/15/10/385381510.db2.gz RVHMPOVIVJNURP-CYBMUJFWSA-N 0 3 219.328 3.312 20 30 BGEDHN CCOc1ccccc1[C@H](CC)NCCCC#N ZINC000179753286 346996100 /nfs/dbraw/zinc/99/61/00/346996100.db2.gz GCRHXFAANQGREQ-AWEZNQCLSA-N 0 3 246.354 3.430 20 30 BGEDHN CCOc1ccccc1[C@@H](CC)NCCCC#N ZINC000179753422 346996188 /nfs/dbraw/zinc/99/61/88/346996188.db2.gz GCRHXFAANQGREQ-CQSZACIVSA-N 0 3 246.354 3.430 20 30 BGEDHN CN(Cc1ccc(C#N)o1)C1CCCCCC1 ZINC000179793751 385053892 /nfs/dbraw/zinc/05/38/92/385053892.db2.gz LRRYRLRVYWUCBG-UHFFFAOYSA-N 0 3 232.327 3.306 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC000179799143 176099253 /nfs/dbraw/zinc/09/92/53/176099253.db2.gz WUZRFOYPUHOQJM-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)s1 ZINC000179799154 177099300 /nfs/dbraw/zinc/09/93/00/177099300.db2.gz WUZRFOYPUHOQJM-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)(CCC#N)CN1CCc2sccc2C1 ZINC000179888478 347001953 /nfs/dbraw/zinc/00/19/53/347001953.db2.gz WXKCZEPMVNYLHG-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN C=CCCCN[C@@H](C)c1c(F)cccc1OC ZINC000179918929 385383302 /nfs/dbraw/zinc/38/33/02/385383302.db2.gz MRFAQUWOTGHAKH-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=CCCCN[C@H](C)c1c(F)cccc1OC ZINC000179918943 385383670 /nfs/dbraw/zinc/38/36/70/385383670.db2.gz MRFAQUWOTGHAKH-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=CCCN[C@@H](C)c1cc(F)ccc1OC ZINC000179930951 166267332 /nfs/dbraw/zinc/26/73/32/166267332.db2.gz VUOOFIYPYFIMTC-JTQLQIEISA-N 0 3 223.291 3.061 20 30 BGEDHN C=CCCN[C@H](C)c1cc(F)ccc1OC ZINC000179930965 166266995 /nfs/dbraw/zinc/26/69/95/166266995.db2.gz VUOOFIYPYFIMTC-SNVBAGLBSA-N 0 3 223.291 3.061 20 30 BGEDHN CN(Cc1ccc(C#N)o1)CC1CCCCC1 ZINC000179936612 385240740 /nfs/dbraw/zinc/24/07/40/385240740.db2.gz PXBDHFMRRGGGNK-UHFFFAOYSA-N 0 3 232.327 3.163 20 30 BGEDHN C=CCCCN[C@@H](C)c1cc(F)ccc1OC ZINC000179942713 366338356 /nfs/dbraw/zinc/33/83/56/366338356.db2.gz BEBCDTKMJJDPOA-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=CCCCN[C@H](C)c1cc(F)ccc1OC ZINC000179942733 366337514 /nfs/dbraw/zinc/33/75/14/366337514.db2.gz BEBCDTKMJJDPOA-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cc(F)ccc1OC ZINC000179958809 385385790 /nfs/dbraw/zinc/38/57/90/385385790.db2.gz LSUMRSUSFITAHA-JTQLQIEISA-N 0 3 223.291 3.061 20 30 BGEDHN C=C(C)CN[C@H](C)c1cc(F)ccc1OC ZINC000179958824 188253153 /nfs/dbraw/zinc/25/31/53/188253153.db2.gz LSUMRSUSFITAHA-SNVBAGLBSA-N 0 3 223.291 3.061 20 30 BGEDHN CC(C)CCN(C)Cc1cc(C#N)cs1 ZINC000180047502 385384397 /nfs/dbraw/zinc/38/43/97/385384397.db2.gz WDAPXWZELBAKJZ-UHFFFAOYSA-N 0 3 222.357 3.098 20 30 BGEDHN CCC[C@@H](C)CN(CCC#N)CC1CC1 ZINC000180057738 366366339 /nfs/dbraw/zinc/36/63/39/366366339.db2.gz PGOSJRNRAVGJII-GFCCVEGCSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC[C@H](C)CN(CCC#N)CC1CC1 ZINC000180057751 366366730 /nfs/dbraw/zinc/36/67/30/366366730.db2.gz PGOSJRNRAVGJII-LBPRGKRZSA-N 0 3 208.349 3.048 20 30 BGEDHN C=CCOc1cccc(CN(CC)C2CC2)c1 ZINC000180101110 384438711 /nfs/dbraw/zinc/43/87/11/384438711.db2.gz LKBIFUJSRMLPKI-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN CCc1ccc(C(C)(C)NCCCC#N)cc1 ZINC000180104475 347013470 /nfs/dbraw/zinc/01/34/70/347013470.db2.gz UHUSQMKKQSDEGZ-UHFFFAOYSA-N 0 3 230.355 3.377 20 30 BGEDHN CC(C)=CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000180155593 384313623 /nfs/dbraw/zinc/31/36/23/384313623.db2.gz UMBQUNLIPZJKMC-LBPRGKRZSA-N 0 3 214.312 3.175 20 30 BGEDHN CC(C)=CCN[C@H](C)c1ccc(C#N)cc1 ZINC000180155605 385509160 /nfs/dbraw/zinc/50/91/60/385509160.db2.gz UMBQUNLIPZJKMC-GFCCVEGCSA-N 0 3 214.312 3.175 20 30 BGEDHN CC[C@@H](C)CN(CC)Cc1ccc(C#N)s1 ZINC000180203046 366396204 /nfs/dbraw/zinc/39/62/04/366396204.db2.gz VDBBOSZAZZDATG-LLVKDONJSA-N 0 3 236.384 3.488 20 30 BGEDHN CC[C@H](C)CN(CC)Cc1ccc(C#N)s1 ZINC000180203062 366396118 /nfs/dbraw/zinc/39/61/18/366396118.db2.gz VDBBOSZAZZDATG-NSHDSACASA-N 0 3 236.384 3.488 20 30 BGEDHN C=CCCCCCN(C)Cc1cn(C)nc1CC ZINC000180310344 538957843 /nfs/dbraw/zinc/95/78/43/538957843.db2.gz MCYYFJTXGAQZIR-UHFFFAOYSA-N 0 3 249.402 3.161 20 30 BGEDHN C=CCCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000180342976 347024221 /nfs/dbraw/zinc/02/42/21/347024221.db2.gz HKRCMSKEQQHRBS-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000180342976 347024218 /nfs/dbraw/zinc/02/42/18/347024218.db2.gz HKRCMSKEQQHRBS-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCCN(C)Cc1cn(C)nc1C(C)(C)C ZINC000180343194 353392922 /nfs/dbraw/zinc/39/29/22/353392922.db2.gz STHXZOBCBMFNLR-UHFFFAOYSA-N 0 3 249.402 3.116 20 30 BGEDHN CC(C)N(Cc1ccccc1C#N)C(C)C ZINC000180448233 385522890 /nfs/dbraw/zinc/52/28/90/385522890.db2.gz GITFBVIBUBCETH-UHFFFAOYSA-N 0 3 216.328 3.177 20 30 BGEDHN CC(C)N(Cc1ccc(F)cc1C#N)C(C)C ZINC000180449433 134327613 /nfs/dbraw/zinc/32/76/13/134327613.db2.gz SLSPYYYZHDZHRQ-UHFFFAOYSA-N 0 3 234.318 3.316 20 30 BGEDHN CC(C)N(Cc1cc(C#N)ccc1F)C(C)C ZINC000180449997 487609847 /nfs/dbraw/zinc/60/98/47/487609847.db2.gz CGXQBETWRMNGTN-UHFFFAOYSA-N 0 3 234.318 3.316 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)cc1F)C(C)C ZINC000180452242 397777066 /nfs/dbraw/zinc/77/70/66/397777066.db2.gz OQARIXHDRPQCDH-UHFFFAOYSA-N 0 3 234.318 3.316 20 30 BGEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(C#N)s2)C1 ZINC000180519776 366492568 /nfs/dbraw/zinc/49/25/68/366492568.db2.gz UGVSUXMZMZQGGY-VXGBXAGGSA-N 0 3 248.395 3.488 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H](C)C1 ZINC000180519793 366492834 /nfs/dbraw/zinc/49/28/34/366492834.db2.gz UGVSUXMZMZQGGY-NWDGAFQWSA-N 0 3 248.395 3.488 20 30 BGEDHN C[C@H](N(C)Cc1ccc(C#N)s1)C1(C)CC1 ZINC000180534662 384641121 /nfs/dbraw/zinc/64/11/21/384641121.db2.gz IBSTZEQDVBUZSL-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H](N(C)Cc1ccc(C#N)s1)C1(C)CC1 ZINC000180534681 384640245 /nfs/dbraw/zinc/64/02/45/384640245.db2.gz IBSTZEQDVBUZSL-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN C=C(C)CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180647617 353403804 /nfs/dbraw/zinc/40/38/04/353403804.db2.gz QRFGQXYCTMXKLK-ZDUSSCGKSA-N 0 3 247.338 3.075 20 30 BGEDHN C=C(C)CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180647635 353404207 /nfs/dbraw/zinc/40/42/07/353404207.db2.gz QRFGQXYCTMXKLK-CYBMUJFWSA-N 0 3 247.338 3.075 20 30 BGEDHN CCOc1cccc([C@@H](C)NCCCC#N)c1 ZINC000180715262 347037567 /nfs/dbraw/zinc/03/75/67/347037567.db2.gz XBKGDIXRQIKOKF-GFCCVEGCSA-N 0 3 232.327 3.040 20 30 BGEDHN CCOc1cccc([C@H](C)NCCCC#N)c1 ZINC000180715281 347037879 /nfs/dbraw/zinc/03/78/79/347037879.db2.gz XBKGDIXRQIKOKF-LBPRGKRZSA-N 0 3 232.327 3.040 20 30 BGEDHN C=C(C)CN[C@H](C)c1cccc(OCC)c1 ZINC000180716996 134331154 /nfs/dbraw/zinc/33/11/54/134331154.db2.gz KHZXWEVSTHTRCR-GFCCVEGCSA-N 0 3 219.328 3.312 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cccc(OCC)c1 ZINC000180717011 134331410 /nfs/dbraw/zinc/33/14/10/134331410.db2.gz KHZXWEVSTHTRCR-LBPRGKRZSA-N 0 3 219.328 3.312 20 30 BGEDHN C=CCCCN(Cc1cccnc1)C1CC1 ZINC000180743215 353402991 /nfs/dbraw/zinc/40/29/91/353402991.db2.gz WXXRTODMGWYHMH-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN C=CCOc1cccc(CN2CCCCC2)c1 ZINC000180842648 366552532 /nfs/dbraw/zinc/55/25/32/366552532.db2.gz SREWUCHGTMJRLU-UHFFFAOYSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C(C)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180880103 385397834 /nfs/dbraw/zinc/39/78/34/385397834.db2.gz YABGUTXGDGBQLP-UHFFFAOYSA-N 0 3 225.282 3.366 20 30 BGEDHN Cc1cccc(CCCN2CCC(C#N)CC2)c1 ZINC000181040333 136218441 /nfs/dbraw/zinc/21/84/41/136218441.db2.gz MHYIPPISJKIEMX-UHFFFAOYSA-N 0 3 242.366 3.163 20 30 BGEDHN C=C(C)CN(C)Cc1cc(F)ccc1C ZINC000181042818 134333434 /nfs/dbraw/zinc/33/34/34/134333434.db2.gz APNGHAKUPKAETF-UHFFFAOYSA-N 0 3 207.292 3.142 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCC)c1 ZINC000181043225 134333082 /nfs/dbraw/zinc/33/30/82/134333082.db2.gz PFBZDVKFVQROCO-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000181044141 384433873 /nfs/dbraw/zinc/43/38/73/384433873.db2.gz YYINNNGHMFWUHA-SOFGYWHQSA-N 0 3 246.310 3.116 20 30 BGEDHN C=C(C)CN(C)Cc1coc2ccccc12 ZINC000181044587 134333389 /nfs/dbraw/zinc/33/33/89/134333389.db2.gz IGWKEQLMBXQVTM-UHFFFAOYSA-N 0 3 215.296 3.441 20 30 BGEDHN C=C(C)CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000181044773 134333100 /nfs/dbraw/zinc/33/31/00/134333100.db2.gz ALZGFVSGDQNVAB-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccccc1 ZINC000181045035 134333052 /nfs/dbraw/zinc/33/30/52/134333052.db2.gz QAJJBPHIHNFWHX-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccccc1OC ZINC000181046790 384434698 /nfs/dbraw/zinc/43/46/98/384434698.db2.gz ICGPYDWLCRRBPL-VQHVLOKHSA-N 0 3 231.339 3.216 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(F)c(C)c1 ZINC000181049291 134333438 /nfs/dbraw/zinc/33/34/38/134333438.db2.gz XMFYSJKUGHUOEA-UHFFFAOYSA-N 0 3 207.292 3.142 20 30 BGEDHN C=CCOc1cccc(CN(C)CC(=C)C)c1 ZINC000181049962 384434901 /nfs/dbraw/zinc/43/49/01/384434901.db2.gz WIKHALPWYIIXFQ-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccc(F)cc1 ZINC000181050888 384434516 /nfs/dbraw/zinc/43/45/16/384434516.db2.gz KQRZKOARSWOXEI-SNAWJCMRSA-N 0 3 219.303 3.347 20 30 BGEDHN C=C(C)CN(C)Cc1cc2cc(OC)ccc2o1 ZINC000181051495 384435162 /nfs/dbraw/zinc/43/51/62/384435162.db2.gz WUBHPPBXYROYAT-UHFFFAOYSA-N 0 3 245.322 3.449 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(OCC)c1 ZINC000181051808 134333317 /nfs/dbraw/zinc/33/33/17/134333317.db2.gz IIYZXBQDKCFWOT-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(F)cc1C ZINC000181053301 134333224 /nfs/dbraw/zinc/33/32/24/134333224.db2.gz OQHZTXWAUBYSJK-UHFFFAOYSA-N 0 3 207.292 3.142 20 30 BGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)CC ZINC000181118524 384450326 /nfs/dbraw/zinc/45/03/26/384450326.db2.gz JZBSYYHFKLWEAU-GFCCVEGCSA-N 0 3 248.326 3.381 20 30 BGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000181118540 384449688 /nfs/dbraw/zinc/44/96/88/384449688.db2.gz JZBSYYHFKLWEAU-LBPRGKRZSA-N 0 3 248.326 3.381 20 30 BGEDHN C=C(C)CN(C)Cc1ccccc1C(C)(C)C#N ZINC000181254182 384472508 /nfs/dbraw/zinc/47/25/08/384472508.db2.gz LKLWEVMMYAXPQG-UHFFFAOYSA-N 0 3 242.366 3.496 20 30 BGEDHN C=C(C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000181265600 386346277 /nfs/dbraw/zinc/34/62/77/386346277.db2.gz OKTDBJAZHMNNDM-CQSZACIVSA-N 0 3 219.303 3.321 20 30 BGEDHN C=C(C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC000181265619 384474555 /nfs/dbraw/zinc/47/45/55/384474555.db2.gz OKTDBJAZHMNNDM-AWEZNQCLSA-N 0 3 219.303 3.321 20 30 BGEDHN C=C(C)CN(C)Cc1cc(F)cc2cccnc21 ZINC000181270336 134334834 /nfs/dbraw/zinc/33/48/34/134334834.db2.gz IFCVALSBFVXQON-UHFFFAOYSA-N 0 3 244.313 3.382 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC)c(Cl)c1 ZINC000181276142 256588306 /nfs/dbraw/zinc/58/83/06/256588306.db2.gz AENAPDUUVUKJMD-UHFFFAOYSA-N 0 3 239.746 3.357 20 30 BGEDHN C=C(C)CN(C)CCSc1ccccc1 ZINC000181289925 386347994 /nfs/dbraw/zinc/34/79/94/386347994.db2.gz FQNNZVGGDFZUAJ-UHFFFAOYSA-N 0 3 221.369 3.287 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC(C)C)cc1 ZINC000181292023 384484878 /nfs/dbraw/zinc/48/48/78/384484878.db2.gz DQCMSJJNQHCEAD-UHFFFAOYSA-N 0 3 233.355 3.482 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccccc1 ZINC000181301098 384486097 /nfs/dbraw/zinc/48/60/97/384486097.db2.gz IXSPIJJHBQCQLM-JXMROGBWSA-N 0 3 201.313 3.208 20 30 BGEDHN C=C(C)CN(C)Cc1cccc2cccnc21 ZINC000181310099 134335285 /nfs/dbraw/zinc/33/52/85/134335285.db2.gz SUFAHMOGLQHVPU-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=C(C)CN(C)Cc1cc(C)sc1C ZINC000181316753 134335789 /nfs/dbraw/zinc/33/57/89/134335789.db2.gz UBKMQLCLFCVVRJ-UHFFFAOYSA-N 0 3 209.358 3.373 20 30 BGEDHN C=C(C)CN(C)CCc1ccc(F)c(F)c1 ZINC000181324095 384485242 /nfs/dbraw/zinc/48/52/42/384485242.db2.gz NZCSGRRVYGXVQC-UHFFFAOYSA-N 0 3 225.282 3.015 20 30 BGEDHN N#CCC[C@@H](N[C@@H]1CCSC1)c1ccccc1 ZINC000181573848 347064494 /nfs/dbraw/zinc/06/44/94/347064494.db2.gz GFPSLIVXPOIGLA-ZIAGYGMSSA-N 0 3 246.379 3.127 20 30 BGEDHN N#CCC[C@H](N[C@@H]1CCSC1)c1ccccc1 ZINC000181573864 347064054 /nfs/dbraw/zinc/06/40/54/347064054.db2.gz GFPSLIVXPOIGLA-KGLIPLIRSA-N 0 3 246.379 3.127 20 30 BGEDHN N#CCC[C@@H](N[C@H]1CCSC1)c1ccccc1 ZINC000181573881 347064451 /nfs/dbraw/zinc/06/44/51/347064451.db2.gz GFPSLIVXPOIGLA-UONOGXRCSA-N 0 3 246.379 3.127 20 30 BGEDHN N#CCC[C@H](N[C@H]1CCSC1)c1ccccc1 ZINC000181573899 347064018 /nfs/dbraw/zinc/06/40/18/347064018.db2.gz GFPSLIVXPOIGLA-KBPBESRZSA-N 0 3 246.379 3.127 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181576945 366827857 /nfs/dbraw/zinc/82/78/57/366827857.db2.gz USKOMOHEGUCBEI-NSHDSACASA-N 0 3 249.329 3.451 20 30 BGEDHN C=CCN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181576961 366827803 /nfs/dbraw/zinc/82/78/03/366827803.db2.gz USKOMOHEGUCBEI-LLVKDONJSA-N 0 3 249.329 3.451 20 30 BGEDHN Cc1csc([C@H](NCCCCC#N)C2CC2)n1 ZINC000181618940 347065842 /nfs/dbraw/zinc/06/58/42/347065842.db2.gz DXGIAFBHTNKEIY-GFCCVEGCSA-N 0 3 249.383 3.186 20 30 BGEDHN Cc1csc([C@@H](NCCCCC#N)C2CC2)n1 ZINC000181618957 347066198 /nfs/dbraw/zinc/06/61/98/347066198.db2.gz DXGIAFBHTNKEIY-LBPRGKRZSA-N 0 3 249.383 3.186 20 30 BGEDHN C=CCN[C@H](c1ccc(F)cc1F)C(C)C ZINC000181639896 385411200 /nfs/dbraw/zinc/41/12/00/385411200.db2.gz RRVDTUOJUVJXCW-ZDUSSCGKSA-N 0 3 225.282 3.438 20 30 BGEDHN C=CCN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000181639914 385411976 /nfs/dbraw/zinc/41/19/76/385411976.db2.gz RRVDTUOJUVJXCW-CYBMUJFWSA-N 0 3 225.282 3.438 20 30 BGEDHN C[C@H](NCCCC#N)c1cc2ccccc2o1 ZINC000181762593 347072139 /nfs/dbraw/zinc/07/21/39/347072139.db2.gz SDFVUBWDLLVSOJ-NSHDSACASA-N 0 3 228.295 3.387 20 30 BGEDHN C[C@@H](NCCCC#N)c1cc2ccccc2o1 ZINC000181762611 347072126 /nfs/dbraw/zinc/07/21/26/347072126.db2.gz SDFVUBWDLLVSOJ-LLVKDONJSA-N 0 3 228.295 3.387 20 30 BGEDHN C=CCN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181866706 353450475 /nfs/dbraw/zinc/45/04/75/353450475.db2.gz ZRMTZGXDCNBPBK-ZDUSSCGKSA-N 0 3 230.355 3.123 20 30 BGEDHN C=CCN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000181866727 353450339 /nfs/dbraw/zinc/45/03/39/353450339.db2.gz ZRMTZGXDCNBPBK-CYBMUJFWSA-N 0 3 230.355 3.123 20 30 BGEDHN C=CCSCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181924734 566336822 /nfs/dbraw/zinc/33/68/22/566336822.db2.gz DZFVBHDTSQTVIJ-LBPRGKRZSA-N 0 3 246.379 3.128 20 30 BGEDHN C=CCSCCN[C@H](C)c1ccc(C#N)cc1 ZINC000181924754 566336778 /nfs/dbraw/zinc/33/67/78/566336778.db2.gz DZFVBHDTSQTVIJ-GFCCVEGCSA-N 0 3 246.379 3.128 20 30 BGEDHN C=CCSCCN[C@@H](C)c1cccc(C#N)c1 ZINC000181924792 398238043 /nfs/dbraw/zinc/23/80/43/398238043.db2.gz SAHGAIRZMFNRTR-LBPRGKRZSA-N 0 3 246.379 3.128 20 30 BGEDHN C=CCSCCN[C@H](C)c1cccc(C#N)c1 ZINC000181924813 398238004 /nfs/dbraw/zinc/23/80/04/398238004.db2.gz SAHGAIRZMFNRTR-GFCCVEGCSA-N 0 3 246.379 3.128 20 30 BGEDHN C[C@H](NCCCCC#N)c1cccc(F)c1F ZINC000181979407 136218855 /nfs/dbraw/zinc/21/88/55/136218855.db2.gz AIECRWUQWBJUTL-JTQLQIEISA-N 0 3 238.281 3.309 20 30 BGEDHN C[C@@H](NCCCCC#N)c1cccc(F)c1F ZINC000181979425 136218570 /nfs/dbraw/zinc/21/85/70/136218570.db2.gz AIECRWUQWBJUTL-SNVBAGLBSA-N 0 3 238.281 3.309 20 30 BGEDHN C#CCCCN[C@@H](C)c1cccc(F)c1F ZINC000181983341 353451231 /nfs/dbraw/zinc/45/12/31/353451231.db2.gz BCODPOIOKMLCAJ-JTQLQIEISA-N 0 3 223.266 3.029 20 30 BGEDHN C#CCCCN[C@H](C)c1cccc(F)c1F ZINC000181983466 353451216 /nfs/dbraw/zinc/45/12/16/353451216.db2.gz BCODPOIOKMLCAJ-SNVBAGLBSA-N 0 3 223.266 3.029 20 30 BGEDHN C=C(C)CN(CC)CCC(=O)c1ccccc1 ZINC000181992003 385626463 /nfs/dbraw/zinc/62/64/63/385626463.db2.gz AHEOEUZQQLZSRF-UHFFFAOYSA-N 0 3 231.339 3.157 20 30 BGEDHN C=C(C)CN(CC)CCC(=O)c1ccc(F)cc1 ZINC000181992056 366859410 /nfs/dbraw/zinc/85/94/10/366859410.db2.gz NCEPKPMTGFCDTA-UHFFFAOYSA-N 0 3 249.329 3.297 20 30 BGEDHN CC(C)=CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181994617 188345097 /nfs/dbraw/zinc/34/50/97/188345097.db2.gz YGYQZUDWAOAYDV-LBPRGKRZSA-N 0 3 214.312 3.175 20 30 BGEDHN CC(C)=CCN[C@H](C)c1cccc(C#N)c1 ZINC000181994636 398113259 /nfs/dbraw/zinc/11/32/59/398113259.db2.gz YGYQZUDWAOAYDV-GFCCVEGCSA-N 0 3 214.312 3.175 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cccc(F)c1F ZINC000182000459 353453758 /nfs/dbraw/zinc/45/37/58/353453758.db2.gz FKQHKVUGAMIVEQ-VIFPVBQESA-N 0 3 211.255 3.192 20 30 BGEDHN C=C(C)CN[C@H](C)c1cccc(F)c1F ZINC000182000483 346779529 /nfs/dbraw/zinc/77/95/29/346779529.db2.gz FKQHKVUGAMIVEQ-SECBINFHSA-N 0 3 211.255 3.192 20 30 BGEDHN CC(C)=CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000182010240 535371119 /nfs/dbraw/zinc/37/11/19/535371119.db2.gz KCCVYOQHZLENNH-ZDUSSCGKSA-N 0 3 244.338 3.206 20 30 BGEDHN CC(C)=CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000182010263 535371289 /nfs/dbraw/zinc/37/12/89/535371289.db2.gz KCCVYOQHZLENNH-CYBMUJFWSA-N 0 3 244.338 3.206 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)Cc1ccccc1 ZINC000182033566 366860742 /nfs/dbraw/zinc/86/07/42/366860742.db2.gz YBCXJQAKIFBDQY-GJZGRUSLSA-N 0 3 244.382 3.347 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@H](C)Cc1ccccc1 ZINC000182033589 366860132 /nfs/dbraw/zinc/86/01/32/366860132.db2.gz YBCXJQAKIFBDQY-CABCVRRESA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@@H](Cc1ccccc1)CN1CCC(C#N)CC1 ZINC000182035534 347082081 /nfs/dbraw/zinc/08/20/81/347082081.db2.gz GNPOVTUZGMFXSR-AWEZNQCLSA-N 0 3 242.366 3.101 20 30 BGEDHN C[C@H](Cc1ccccc1)CN1CCC(C#N)CC1 ZINC000182035553 345055499 /nfs/dbraw/zinc/05/54/99/345055499.db2.gz GNPOVTUZGMFXSR-CQSZACIVSA-N 0 3 242.366 3.101 20 30 BGEDHN C#CCN[C@@H](CCCC)c1ccc(OC)cc1 ZINC000182153602 642961333 /nfs/dbraw/zinc/96/13/33/642961333.db2.gz VBFNNZARDFUPHB-HNNXBMFYSA-N 0 3 231.339 3.149 20 30 BGEDHN C#CCN[C@H](CCCC)c1ccc(OC)cc1 ZINC000182153617 642963395 /nfs/dbraw/zinc/96/33/95/642963395.db2.gz VBFNNZARDFUPHB-OAHLLOKOSA-N 0 3 231.339 3.149 20 30 BGEDHN CCC[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000182191907 386101895 /nfs/dbraw/zinc/10/18/95/386101895.db2.gz IKCPGMUIUYEJQC-LLVKDONJSA-N 0 3 234.318 3.223 20 30 BGEDHN CCC[C@H](C)CNCc1ccc(C#N)cc1F ZINC000182191925 386102046 /nfs/dbraw/zinc/10/20/46/386102046.db2.gz IKCPGMUIUYEJQC-NSHDSACASA-N 0 3 234.318 3.223 20 30 BGEDHN C=CCN(CC=C)CCCOCc1ccccc1 ZINC000182237202 366877713 /nfs/dbraw/zinc/87/77/13/366877713.db2.gz WBQVLVQBRAEQJV-UHFFFAOYSA-N 0 3 245.366 3.267 20 30 BGEDHN C=CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000182266056 366879302 /nfs/dbraw/zinc/87/93/02/366879302.db2.gz PNKKWIATVWPGLF-UHFFFAOYSA-N 0 3 243.350 3.157 20 30 BGEDHN C=CCCCN(C)CCC(=O)c1ccccc1 ZINC000182325120 534706492 /nfs/dbraw/zinc/70/64/92/534706492.db2.gz LNVJPZCECYRRRD-UHFFFAOYSA-N 0 3 231.339 3.157 20 30 BGEDHN C=CCCCN(C)CCC(=O)c1ccc(F)cc1 ZINC000182325170 366885738 /nfs/dbraw/zinc/88/57/38/366885738.db2.gz GRKGUOFUYCAHBQ-UHFFFAOYSA-N 0 3 249.329 3.297 20 30 BGEDHN CCC[C@H](NCCCC#N)c1ccccc1 ZINC000182330128 346791994 /nfs/dbraw/zinc/79/19/94/346791994.db2.gz YTJNYPZOEIDHMH-AWEZNQCLSA-N 0 3 216.328 3.421 20 30 BGEDHN CCC[C@@H](NCCCC#N)c1ccccc1 ZINC000182330147 346792219 /nfs/dbraw/zinc/79/22/19/346792219.db2.gz YTJNYPZOEIDHMH-CQSZACIVSA-N 0 3 216.328 3.421 20 30 BGEDHN C=CCN(CC=C)CCCc1ccccc1OC ZINC000182400690 386168589 /nfs/dbraw/zinc/16/85/89/386168589.db2.gz DFCIKITXQPVUSH-UHFFFAOYSA-N 0 3 245.366 3.302 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000182413370 534733979 /nfs/dbraw/zinc/73/39/79/534733979.db2.gz XYBVQEWZAWINEJ-NSHDSACASA-N 0 3 235.327 3.018 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000182413392 534736233 /nfs/dbraw/zinc/73/62/33/534736233.db2.gz XYBVQEWZAWINEJ-LLVKDONJSA-N 0 3 235.327 3.018 20 30 BGEDHN CC[C@H](NCCCCC#N)c1c(C)noc1C ZINC000182419539 366900277 /nfs/dbraw/zinc/90/02/77/366900277.db2.gz SRKCQWGVQJUOHR-LBPRGKRZSA-N 0 3 235.331 3.026 20 30 BGEDHN CC[C@@H](NCCCCC#N)c1c(C)noc1C ZINC000182419552 366899571 /nfs/dbraw/zinc/89/95/71/366899571.db2.gz SRKCQWGVQJUOHR-GFCCVEGCSA-N 0 3 235.331 3.026 20 30 BGEDHN C=CCN(CC=C)Cc1cccc2cnccc21 ZINC000182948573 538965217 /nfs/dbraw/zinc/96/52/17/538965217.db2.gz NYOWAZOWSDWMJQ-UHFFFAOYSA-N 0 3 238.334 3.409 20 30 BGEDHN COc1cc(C#N)ccc1CN(C(C)C)C(C)C ZINC000183037236 386128553 /nfs/dbraw/zinc/12/85/53/386128553.db2.gz YRCUDXUTGDLDSK-UHFFFAOYSA-N 0 3 246.354 3.186 20 30 BGEDHN CC[C@@H](C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000183047484 366969902 /nfs/dbraw/zinc/96/99/02/366969902.db2.gz MBQBGWXVDYUDFO-GHMZBOCLSA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@H](C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000183047506 366969472 /nfs/dbraw/zinc/96/94/72/366969472.db2.gz MBQBGWXVDYUDFO-WDEREUQCSA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@@H](C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000183047524 366969514 /nfs/dbraw/zinc/96/95/14/366969514.db2.gz MBQBGWXVDYUDFO-MNOVXSKESA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@H](C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000183047544 366969603 /nfs/dbraw/zinc/96/96/03/366969603.db2.gz MBQBGWXVDYUDFO-QWRGUYRKSA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@H]1CCCC[C@H]1C ZINC000183047638 366969459 /nfs/dbraw/zinc/96/94/59/366969459.db2.gz ZLCNKRSUQRXHGI-FRRDWIJNSA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@@H]1CCCC[C@H]1C ZINC000183047676 366969586 /nfs/dbraw/zinc/96/95/86/366969586.db2.gz ZLCNKRSUQRXHGI-AGIUHOORSA-N 0 3 208.349 3.047 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN(C)[C@@H](C)CC#N)C1 ZINC000183047728 366969353 /nfs/dbraw/zinc/96/93/53/366969353.db2.gz DRJXVICTHGUABB-MJBXVCDLSA-N 0 3 222.376 3.437 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN(C)[C@@H](C)CC#N)C1 ZINC000183047767 366969882 /nfs/dbraw/zinc/96/98/82/366969882.db2.gz DRJXVICTHGUABB-BFHYXJOUSA-N 0 3 222.376 3.437 20 30 BGEDHN COc1ccc(C#N)cc1CN(C(C)C)C(C)C ZINC000183052719 134350749 /nfs/dbraw/zinc/35/07/49/134350749.db2.gz VVPYCOLZWMCAMV-UHFFFAOYSA-N 0 3 246.354 3.186 20 30 BGEDHN CC(C)N(CC#Cc1ccc(F)cc1)C(C)C ZINC000183052771 398088689 /nfs/dbraw/zinc/08/86/89/398088689.db2.gz DWBMBQQGEMVXPL-UHFFFAOYSA-N 0 3 233.330 3.296 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183117022 363126499 /nfs/dbraw/zinc/12/64/99/363126499.db2.gz RBSSJNSTTUZUBI-GFCCVEGCSA-N 0 3 248.326 3.472 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183117041 363126583 /nfs/dbraw/zinc/12/65/83/363126583.db2.gz RBSSJNSTTUZUBI-LBPRGKRZSA-N 0 3 248.326 3.472 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183228164 367003966 /nfs/dbraw/zinc/00/39/66/367003966.db2.gz NYWVHYKKYIZUDJ-UHFFFAOYSA-N 0 3 248.326 3.301 20 30 BGEDHN C#CCCCCN[C@@H](C)c1cccc(F)c1F ZINC000183305539 353531081 /nfs/dbraw/zinc/53/10/81/353531081.db2.gz NBRWCIDZCGKNOE-NSHDSACASA-N 0 3 237.293 3.419 20 30 BGEDHN C#CCCCCN[C@H](C)c1cccc(F)c1F ZINC000183305554 135555066 /nfs/dbraw/zinc/55/50/66/135555066.db2.gz NBRWCIDZCGKNOE-LLVKDONJSA-N 0 3 237.293 3.419 20 30 BGEDHN CC[C@H]([NH2+]CCCCC#N)c1ccccc1[O-] ZINC000183331588 347125241 /nfs/dbraw/zinc/12/52/41/347125241.db2.gz QRGGIXIWNDSBOP-ZDUSSCGKSA-N 0 3 232.327 3.127 20 30 BGEDHN CC[C@@H]([NH2+]CCCCC#N)c1ccccc1[O-] ZINC000183331608 347125083 /nfs/dbraw/zinc/12/50/83/347125083.db2.gz QRGGIXIWNDSBOP-CYBMUJFWSA-N 0 3 232.327 3.127 20 30 BGEDHN C=CCCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183358866 367016464 /nfs/dbraw/zinc/01/64/64/367016464.db2.gz OJSMPDSNQDVPFR-UHFFFAOYSA-N 0 3 248.326 3.301 20 30 BGEDHN C=CCN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183461857 367025200 /nfs/dbraw/zinc/02/52/00/367025200.db2.gz IFMAEZQKINZXIU-CQSZACIVSA-N 0 3 215.340 3.279 20 30 BGEDHN C=CCN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183461877 367025317 /nfs/dbraw/zinc/02/53/17/367025317.db2.gz IFMAEZQKINZXIU-AWEZNQCLSA-N 0 3 215.340 3.279 20 30 BGEDHN Cc1cc(C)cc([C@@H]2CCN(CCCC#N)C2)c1 ZINC000183462521 134351536 /nfs/dbraw/zinc/35/15/36/134351536.db2.gz ZQIZRBFOIYNGDP-OAHLLOKOSA-N 0 3 242.366 3.397 20 30 BGEDHN Cc1cc(C)cc([C@H]2CCN(CCCC#N)C2)c1 ZINC000183462541 347127085 /nfs/dbraw/zinc/12/70/85/347127085.db2.gz ZQIZRBFOIYNGDP-HNNXBMFYSA-N 0 3 242.366 3.397 20 30 BGEDHN C=CCN(CC=C)C[C@H](C)c1ccc(OC)cc1 ZINC000183464091 367024950 /nfs/dbraw/zinc/02/49/50/367024950.db2.gz RXODOZKTFXLOCD-AWEZNQCLSA-N 0 3 245.366 3.473 20 30 BGEDHN C=CCN(CC=C)C[C@@H](C)c1ccc(OC)cc1 ZINC000183464110 367025292 /nfs/dbraw/zinc/02/52/92/367025292.db2.gz RXODOZKTFXLOCD-CQSZACIVSA-N 0 3 245.366 3.473 20 30 BGEDHN C=C(C)C[N@H+](CC)Cc1cccc(C)c1[O-] ZINC000183476329 353549292 /nfs/dbraw/zinc/54/92/92/353549292.db2.gz FBCIWHRPVVVYIV-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=C(C)C[N@@H+](CC)Cc1cccc(C)c1[O-] ZINC000183476329 353549288 /nfs/dbraw/zinc/54/92/88/353549288.db2.gz FBCIWHRPVVVYIV-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183533907 134352234 /nfs/dbraw/zinc/35/22/34/134352234.db2.gz BIHNKNVHRSLDLL-LLVKDONJSA-N 0 3 222.357 3.068 20 30 BGEDHN C=CCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000183533923 134352494 /nfs/dbraw/zinc/35/24/94/134352494.db2.gz BIHNKNVHRSLDLL-NSHDSACASA-N 0 3 222.357 3.068 20 30 BGEDHN C=CCCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183551617 134352318 /nfs/dbraw/zinc/35/23/18/134352318.db2.gz MYVDSQXYUVGHML-GFCCVEGCSA-N 0 3 236.384 3.458 20 30 BGEDHN C=CCCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000183551632 534736594 /nfs/dbraw/zinc/73/65/94/534736594.db2.gz MYVDSQXYUVGHML-LBPRGKRZSA-N 0 3 236.384 3.458 20 30 BGEDHN CCC[C@@H](CNC[C@@H](C)C#N)c1ccccc1 ZINC000183818366 367047904 /nfs/dbraw/zinc/04/79/04/367047904.db2.gz NEOCSUIIOPTDCC-ZFWWWQNUSA-N 0 3 230.355 3.320 20 30 BGEDHN CCC[C@H](CNC[C@@H](C)C#N)c1ccccc1 ZINC000183818378 367048916 /nfs/dbraw/zinc/04/89/16/367048916.db2.gz NEOCSUIIOPTDCC-DZGCQCFKSA-N 0 3 230.355 3.320 20 30 BGEDHN CCC[C@@H](CNC[C@H](C)C#N)c1ccccc1 ZINC000183818395 367047999 /nfs/dbraw/zinc/04/79/99/367047999.db2.gz NEOCSUIIOPTDCC-HIFRSBDPSA-N 0 3 230.355 3.320 20 30 BGEDHN CCC[C@H](CNC[C@H](C)C#N)c1ccccc1 ZINC000183818405 367047811 /nfs/dbraw/zinc/04/78/11/367047811.db2.gz NEOCSUIIOPTDCC-UKRRQHHQSA-N 0 3 230.355 3.320 20 30 BGEDHN CCCC1CCC(CNC[C@@H](C)C#N)CC1 ZINC000183824100 367050067 /nfs/dbraw/zinc/05/00/67/367050067.db2.gz CBMQWSGFDDEVRF-HSBZDZAISA-N 0 3 222.376 3.342 20 30 BGEDHN CCCC1CCC(CNC[C@H](C)C#N)CC1 ZINC000183824115 346859322 /nfs/dbraw/zinc/85/93/22/346859322.db2.gz CBMQWSGFDDEVRF-IYXRBSQSSA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@@H](C#N)CNC[C@@H](C)CC1CCCCC1 ZINC000183836397 367051888 /nfs/dbraw/zinc/05/18/88/367051888.db2.gz CKLBGONPWCQFEQ-STQMWFEESA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@@H](C#N)CNC[C@H](C)CC1CCCCC1 ZINC000183836411 367051691 /nfs/dbraw/zinc/05/16/91/367051691.db2.gz CKLBGONPWCQFEQ-OLZOCXBDSA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@H](C#N)CNC[C@@H](C)CC1CCCCC1 ZINC000183836427 346859640 /nfs/dbraw/zinc/85/96/40/346859640.db2.gz CKLBGONPWCQFEQ-QWHCGFSZSA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@@H](CNC[C@H](C)C#N)CC1CCCCC1 ZINC000183836438 346859033 /nfs/dbraw/zinc/85/90/33/346859033.db2.gz CKLBGONPWCQFEQ-CHWSQXEVSA-N 0 3 222.376 3.342 20 30 BGEDHN C=CCCCNC(C)(C)c1ncc(C)s1 ZINC000183972455 353597539 /nfs/dbraw/zinc/59/75/39/353597539.db2.gz RHBPWSFODUGLKJ-UHFFFAOYSA-N 0 3 224.373 3.242 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000184082450 347147760 /nfs/dbraw/zinc/14/77/60/347147760.db2.gz LLOHBDLMWDFKQB-IPYPFGDCSA-N 0 3 230.355 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000184082468 347147711 /nfs/dbraw/zinc/14/77/11/347147711.db2.gz LLOHBDLMWDFKQB-VNHYZAJKSA-N 0 3 230.355 3.460 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000184082487 347148005 /nfs/dbraw/zinc/14/80/05/347148005.db2.gz LLOHBDLMWDFKQB-NFAWXSAZSA-N 0 3 230.355 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000184082501 347148111 /nfs/dbraw/zinc/14/81/11/347148111.db2.gz LLOHBDLMWDFKQB-UMVBOHGHSA-N 0 3 230.355 3.460 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H](C)c1ccc(OC)cc1 ZINC000184084074 347147735 /nfs/dbraw/zinc/14/77/35/347147735.db2.gz ALMDYJSWSVZJNE-OCCSQVGLSA-N 0 3 246.354 3.081 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H](C)c1ccc(OC)cc1 ZINC000184084093 347147687 /nfs/dbraw/zinc/14/76/87/347147687.db2.gz ALMDYJSWSVZJNE-TZMCWYRMSA-N 0 3 246.354 3.081 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H](C)c1ccc(OC)cc1 ZINC000184084107 347147912 /nfs/dbraw/zinc/14/79/12/347147912.db2.gz ALMDYJSWSVZJNE-JSGCOSHPSA-N 0 3 246.354 3.081 20 30 BGEDHN CC[C@H](CC#N)NC[C@H](C)c1ccc(OC)cc1 ZINC000184084126 347148069 /nfs/dbraw/zinc/14/80/69/347148069.db2.gz ALMDYJSWSVZJNE-GXTWGEPZSA-N 0 3 246.354 3.081 20 30 BGEDHN CC[C@@H](CC#N)NCC1CCC(C)(C)CC1 ZINC000184092168 385585746 /nfs/dbraw/zinc/58/57/46/385585746.db2.gz UUJJQXJWBJTCEA-ZDUSSCGKSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NCC1CCC(C)(C)CC1 ZINC000184092188 385585885 /nfs/dbraw/zinc/58/58/85/385585885.db2.gz UUJJQXJWBJTCEA-CYBMUJFWSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1cccc(F)c1 ZINC000184095592 347148607 /nfs/dbraw/zinc/14/86/07/347148607.db2.gz OMPMFDGILUEGNI-WFASDCNBSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1cccc(F)c1 ZINC000184095608 347149341 /nfs/dbraw/zinc/14/93/41/347149341.db2.gz OMPMFDGILUEGNI-SWLSCSKDSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1cccc(F)c1 ZINC000184095627 347149116 /nfs/dbraw/zinc/14/91/16/347149116.db2.gz OMPMFDGILUEGNI-DOMZBBRYSA-N 0 3 248.345 3.429 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCc1cccc(F)c1 ZINC000184095650 347148904 /nfs/dbraw/zinc/14/89/04/347148904.db2.gz OMPMFDGILUEGNI-IUODEOHRSA-N 0 3 248.345 3.429 20 30 BGEDHN C=CCCN[C@@H](COCC(C)C)c1ccco1 ZINC000184196316 353613642 /nfs/dbraw/zinc/61/36/42/353613642.db2.gz WFXXBXCEILYOHS-ZDUSSCGKSA-N 0 3 237.343 3.159 20 30 BGEDHN C=CCCN[C@H](COCC(C)C)c1ccco1 ZINC000184196335 347153217 /nfs/dbraw/zinc/15/32/17/347153217.db2.gz WFXXBXCEILYOHS-CYBMUJFWSA-N 0 3 237.343 3.159 20 30 BGEDHN CCC[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000184234637 398171442 /nfs/dbraw/zinc/17/14/42/398171442.db2.gz QTNZGIIVEKYTPU-GFCCVEGCSA-N 0 3 232.327 3.306 20 30 BGEDHN CCC[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000184234660 398171399 /nfs/dbraw/zinc/17/13/99/398171399.db2.gz QTNZGIIVEKYTPU-LBPRGKRZSA-N 0 3 232.327 3.306 20 30 BGEDHN CC[C@H](NCCCCC#N)c1nc(C)cs1 ZINC000184365544 535900246 /nfs/dbraw/zinc/90/02/46/535900246.db2.gz BPQPOIAAZZBKKA-NSHDSACASA-N 0 3 237.372 3.186 20 30 BGEDHN CC[C@@H](NCCCCC#N)c1nc(C)cs1 ZINC000184365560 535803566 /nfs/dbraw/zinc/80/35/66/535803566.db2.gz BPQPOIAAZZBKKA-LLVKDONJSA-N 0 3 237.372 3.186 20 30 BGEDHN C=CCCN[C@@H](CC)c1nc(C)cs1 ZINC000184392307 349085326 /nfs/dbraw/zinc/08/53/26/349085326.db2.gz XTDRLFXWELYZJW-JTQLQIEISA-N 0 3 210.346 3.068 20 30 BGEDHN C=CCCN[C@H](CC)c1nc(C)cs1 ZINC000184392325 349085254 /nfs/dbraw/zinc/08/52/54/349085254.db2.gz XTDRLFXWELYZJW-SNVBAGLBSA-N 0 3 210.346 3.068 20 30 BGEDHN C=CCCCN[C@@H](CC)c1nc(C)cs1 ZINC000184417298 134360950 /nfs/dbraw/zinc/36/09/50/134360950.db2.gz MGVWNXCGMIIISJ-NSHDSACASA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCN[C@H](CC)c1nc(C)cs1 ZINC000184417314 534736490 /nfs/dbraw/zinc/73/64/90/534736490.db2.gz MGVWNXCGMIIISJ-LLVKDONJSA-N 0 3 224.373 3.458 20 30 BGEDHN CC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000184419354 388577943 /nfs/dbraw/zinc/57/79/43/388577943.db2.gz VDYJREKKOWYIBH-ZALBZXLWSA-N 0 3 228.339 3.420 20 30 BGEDHN CC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000184419369 388578552 /nfs/dbraw/zinc/57/85/52/388578552.db2.gz VDYJREKKOWYIBH-PESDSKBTSA-N 0 3 228.339 3.420 20 30 BGEDHN CC#CCN(CCC)CCc1cccs1 ZINC000184515885 388579537 /nfs/dbraw/zinc/57/95/37/388579537.db2.gz RZTAFWFQFQVWOZ-UHFFFAOYSA-N 0 3 221.369 3.026 20 30 BGEDHN C[C@@H](CCC1CC1)NCc1ccc(C#N)cc1F ZINC000184566649 385935164 /nfs/dbraw/zinc/93/51/64/385935164.db2.gz RWJQMSJIJLUBRB-NSHDSACASA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H](CCC1CC1)NCc1ccc(C#N)cc1F ZINC000184566668 259435354 /nfs/dbraw/zinc/43/53/54/259435354.db2.gz RWJQMSJIJLUBRB-LLVKDONJSA-N 0 3 246.329 3.366 20 30 BGEDHN C=CCCCCCN(C)[C@@H](C)c1cnccn1 ZINC000184570076 353681193 /nfs/dbraw/zinc/68/11/93/353681193.db2.gz FOJGUARDGMQWNX-ZDUSSCGKSA-N 0 3 233.359 3.216 20 30 BGEDHN C=CCCCCCN(C)[C@H](C)c1cnccn1 ZINC000184570092 347167685 /nfs/dbraw/zinc/16/76/85/347167685.db2.gz FOJGUARDGMQWNX-CYBMUJFWSA-N 0 3 233.359 3.216 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000184589310 136270341 /nfs/dbraw/zinc/27/03/41/136270341.db2.gz YKCHRZHBZGOKBB-ABAIWWIYSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000184589330 136270330 /nfs/dbraw/zinc/27/03/30/136270330.db2.gz YKCHRZHBZGOKBB-NHYWBVRUSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000184589349 134363913 /nfs/dbraw/zinc/36/39/13/134363913.db2.gz YKCHRZHBZGOKBB-IAQYHMDHSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCCC[C@H]1NCc1ccc(F)cc1C#N ZINC000184589368 134364136 /nfs/dbraw/zinc/36/41/36/134364136.db2.gz YKCHRZHBZGOKBB-XHDPSFHLSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H](NCc1ccc(F)cc1C#N)C1CCCC1 ZINC000184652317 491086642 /nfs/dbraw/zinc/08/66/42/491086642.db2.gz JPJLQUGXGULKPU-NSHDSACASA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H](NCc1ccc(F)cc1C#N)C1CCCC1 ZINC000184652335 386243707 /nfs/dbraw/zinc/24/37/07/386243707.db2.gz JPJLQUGXGULKPU-LLVKDONJSA-N 0 3 246.329 3.366 20 30 BGEDHN CCc1nc([C@@H](C)NCCCCC#N)cs1 ZINC000184695130 349282329 /nfs/dbraw/zinc/28/23/29/349282329.db2.gz MFSPHVJLHLOPDH-SNVBAGLBSA-N 0 3 237.372 3.050 20 30 BGEDHN CCc1nc([C@H](C)NCCCCC#N)cs1 ZINC000184695149 135650791 /nfs/dbraw/zinc/65/07/91/135650791.db2.gz MFSPHVJLHLOPDH-JTQLQIEISA-N 0 3 237.372 3.050 20 30 BGEDHN C=CCC[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000184725101 353702286 /nfs/dbraw/zinc/70/22/86/353702286.db2.gz NAZLLPLEJDMUTF-WCQYABFASA-N 0 3 237.343 3.220 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000184725118 134927637 /nfs/dbraw/zinc/92/76/37/134927637.db2.gz NAZLLPLEJDMUTF-AAEUAGOBSA-N 0 3 237.343 3.220 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000184725135 353702332 /nfs/dbraw/zinc/70/23/32/353702332.db2.gz NAZLLPLEJDMUTF-DGCLKSJQSA-N 0 3 237.343 3.220 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000184725153 353702402 /nfs/dbraw/zinc/70/24/02/353702402.db2.gz NAZLLPLEJDMUTF-YPMHNXCESA-N 0 3 237.343 3.220 20 30 BGEDHN C=CCCCN[C@H](C)c1csc(CC)n1 ZINC000184737285 349302959 /nfs/dbraw/zinc/30/29/59/349302959.db2.gz GSYSRJLOTJFBHF-SNVBAGLBSA-N 0 3 224.373 3.322 20 30 BGEDHN C=CCCCN[C@@H](C)c1csc(CC)n1 ZINC000184737302 534734070 /nfs/dbraw/zinc/73/40/70/534734070.db2.gz GSYSRJLOTJFBHF-JTQLQIEISA-N 0 3 224.373 3.322 20 30 BGEDHN CCN(CCCCc1ccccc1)C[C@@H](C)C#N ZINC000184769137 385711435 /nfs/dbraw/zinc/71/14/35/385711435.db2.gz DKFHRQSDQYTIKD-HNNXBMFYSA-N 0 3 244.382 3.491 20 30 BGEDHN CCN(CCCCc1ccccc1)C[C@H](C)C#N ZINC000184769157 385710716 /nfs/dbraw/zinc/71/07/16/385710716.db2.gz DKFHRQSDQYTIKD-OAHLLOKOSA-N 0 3 244.382 3.491 20 30 BGEDHN N#CC1CCN(CCCCc2ccccc2)CC1 ZINC000184769212 347178024 /nfs/dbraw/zinc/17/80/24/347178024.db2.gz MGUCOLMIHNSKSJ-UHFFFAOYSA-N 0 3 242.366 3.245 20 30 BGEDHN C=CCCCN[C@H](COC)c1ccc(CC)o1 ZINC000184852039 353721938 /nfs/dbraw/zinc/72/19/38/353721938.db2.gz CEQCRMYSPSIYFM-CYBMUJFWSA-N 0 3 237.343 3.085 20 30 BGEDHN C=CCCCN[C@@H](COC)c1ccc(CC)o1 ZINC000184852056 353722128 /nfs/dbraw/zinc/72/21/28/353722128.db2.gz CEQCRMYSPSIYFM-ZDUSSCGKSA-N 0 3 237.343 3.085 20 30 BGEDHN CCCC[C@H](NC[C@H](C#N)CCC#N)C1CCC1 ZINC000184873098 367104712 /nfs/dbraw/zinc/10/47/12/367104712.db2.gz JIYWQDAZIRJMNH-ZFWWWQNUSA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@@H](NC[C@H](C#N)CCC#N)C1CCC1 ZINC000184873115 367104560 /nfs/dbraw/zinc/10/45/60/367104560.db2.gz JIYWQDAZIRJMNH-DZGCQCFKSA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@H](NC[C@@H](C#N)CCC#N)C1CCC1 ZINC000184873136 367105035 /nfs/dbraw/zinc/10/50/35/367105035.db2.gz JIYWQDAZIRJMNH-HIFRSBDPSA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@@H](NC[C@@H](C#N)CCC#N)C1CCC1 ZINC000184873152 347183138 /nfs/dbraw/zinc/18/31/38/347183138.db2.gz JIYWQDAZIRJMNH-UKRRQHHQSA-N 0 3 247.386 3.378 20 30 BGEDHN C#CCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000184985569 643256799 /nfs/dbraw/zinc/25/67/99/643256799.db2.gz RJJURFNAEOGTON-AWEZNQCLSA-N 0 3 241.359 3.255 20 30 BGEDHN C#CCN[C@H](Cc1ccccc1)c1cccs1 ZINC000184985589 643257119 /nfs/dbraw/zinc/25/71/19/643257119.db2.gz RJJURFNAEOGTON-CQSZACIVSA-N 0 3 241.359 3.255 20 30 BGEDHN CCCCCCCN[C@@H](CCO)c1ccco1 ZINC000185089408 534987446 /nfs/dbraw/zinc/98/74/46/534987446.db2.gz PSYOERSBQFTDTG-ZDUSSCGKSA-N 0 3 239.359 3.263 20 30 BGEDHN CCCCCCCN[C@H](CCO)c1ccco1 ZINC000185089423 534988106 /nfs/dbraw/zinc/98/81/06/534988106.db2.gz PSYOERSBQFTDTG-CYBMUJFWSA-N 0 3 239.359 3.263 20 30 BGEDHN CC#CCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300351 388586910 /nfs/dbraw/zinc/58/69/10/388586910.db2.gz DOSJDSIVVWHSSJ-LBPRGKRZSA-N 0 3 249.304 3.168 20 30 BGEDHN CC#CCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185300365 388586695 /nfs/dbraw/zinc/58/66/95/388586695.db2.gz DOSJDSIVVWHSSJ-GFCCVEGCSA-N 0 3 249.304 3.168 20 30 BGEDHN Cc1cnc([C@H](NCCCCC#N)C2CC2)s1 ZINC000185303513 367127471 /nfs/dbraw/zinc/12/74/71/367127471.db2.gz FGXOIKOSWXIXMJ-GFCCVEGCSA-N 0 3 249.383 3.186 20 30 BGEDHN Cc1cnc([C@@H](NCCCCC#N)C2CC2)s1 ZINC000185303530 367127728 /nfs/dbraw/zinc/12/77/28/367127728.db2.gz FGXOIKOSWXIXMJ-LBPRGKRZSA-N 0 3 249.383 3.186 20 30 BGEDHN C=CCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185334057 385726178 /nfs/dbraw/zinc/72/61/78/385726178.db2.gz TUZXDXRRWVFGIQ-LLVKDONJSA-N 0 3 222.357 3.068 20 30 BGEDHN C=CCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185334076 385727044 /nfs/dbraw/zinc/72/70/44/385727044.db2.gz TUZXDXRRWVFGIQ-NSHDSACASA-N 0 3 222.357 3.068 20 30 BGEDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000185339136 136220118 /nfs/dbraw/zinc/22/01/18/136220118.db2.gz JHMGCGILCOZKDO-GFCCVEGCSA-N 0 3 232.327 3.045 20 30 BGEDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCC#N)c1 ZINC000185339154 136219992 /nfs/dbraw/zinc/21/99/92/136219992.db2.gz JHMGCGILCOZKDO-LBPRGKRZSA-N 0 3 232.327 3.045 20 30 BGEDHN Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c([O-])c1 ZINC000185339427 136220011 /nfs/dbraw/zinc/22/00/11/136220011.db2.gz PCVUFLDVJSHUKS-GFCCVEGCSA-N 0 3 232.327 3.045 20 30 BGEDHN Cc1ccc([C@H](C)[NH2+]CCCCC#N)c([O-])c1 ZINC000185339441 136220121 /nfs/dbraw/zinc/22/01/21/136220121.db2.gz PCVUFLDVJSHUKS-LBPRGKRZSA-N 0 3 232.327 3.045 20 30 BGEDHN C=CCCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185357813 205713498 /nfs/dbraw/zinc/71/34/98/205713498.db2.gz GAEQPCIBMBOUHP-GFCCVEGCSA-N 0 3 236.384 3.458 20 30 BGEDHN C=CCCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185357832 385727367 /nfs/dbraw/zinc/72/73/67/385727367.db2.gz GAEQPCIBMBOUHP-LBPRGKRZSA-N 0 3 236.384 3.458 20 30 BGEDHN C=CCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000185378149 387053182 /nfs/dbraw/zinc/05/31/82/387053182.db2.gz REOUXKPSGKEDEX-NSHDSACASA-N 0 3 232.302 3.142 20 30 BGEDHN C=CCC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000185378171 387053458 /nfs/dbraw/zinc/05/34/58/387053458.db2.gz REOUXKPSGKEDEX-LLVKDONJSA-N 0 3 232.302 3.142 20 30 BGEDHN C[C@H](CC#N)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000185519739 385731580 /nfs/dbraw/zinc/73/15/80/385731580.db2.gz GOMFHMKDUYIZJN-UPJWGTAASA-N 0 3 222.376 3.483 20 30 BGEDHN C[C@H](CC#N)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000185519772 205713289 /nfs/dbraw/zinc/71/32/89/205713289.db2.gz GOMFHMKDUYIZJN-JHJVBQTASA-N 0 3 222.376 3.483 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C)CC#N ZINC000185573457 385733461 /nfs/dbraw/zinc/73/34/61/385733461.db2.gz RLWXRRNVWBIDLB-IHRRRGAJSA-N 0 3 222.376 3.483 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C)CC#N ZINC000185573488 205712314 /nfs/dbraw/zinc/71/23/14/205712314.db2.gz RLWXRRNVWBIDLB-MELADBBJSA-N 0 3 222.376 3.483 20 30 BGEDHN C[C@@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573525 136275258 /nfs/dbraw/zinc/27/52/58/136275258.db2.gz BQGGBMOECWPPHE-NUEKZKHPSA-N 0 3 242.366 3.290 20 30 BGEDHN C[C@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573541 136275443 /nfs/dbraw/zinc/27/54/43/136275443.db2.gz BQGGBMOECWPPHE-FVQBIDKESA-N 0 3 242.366 3.290 20 30 BGEDHN C[C@@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573556 136275206 /nfs/dbraw/zinc/27/52/06/136275206.db2.gz BQGGBMOECWPPHE-IMJJTQAJSA-N 0 3 242.366 3.290 20 30 BGEDHN C[C@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573573 136275304 /nfs/dbraw/zinc/27/53/04/136275304.db2.gz BQGGBMOECWPPHE-BMFZPTHFSA-N 0 3 242.366 3.290 20 30 BGEDHN C[C@@H](C#N)CN[C@@H](C)CCC1CCCCC1 ZINC000185573855 349356058 /nfs/dbraw/zinc/35/60/58/349356058.db2.gz YFWAQOFYSJGYFT-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@@H](C#N)CN[C@H](C)CCC1CCCCC1 ZINC000185573868 367135839 /nfs/dbraw/zinc/13/58/39/367135839.db2.gz YFWAQOFYSJGYFT-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](C#N)CN[C@@H](C)CCC1CCCCC1 ZINC000185573880 367136400 /nfs/dbraw/zinc/13/64/00/367136400.db2.gz YFWAQOFYSJGYFT-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](CCC1CCCCC1)NC[C@H](C)C#N ZINC000185573900 367136616 /nfs/dbraw/zinc/13/66/16/367136616.db2.gz YFWAQOFYSJGYFT-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC[C@@H](C)C#N ZINC000185573999 367135668 /nfs/dbraw/zinc/13/56/68/367135668.db2.gz ISCQWPPMLFIGRI-IHRRRGAJSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@H]1NC[C@@H](C)C#N ZINC000185574035 367136202 /nfs/dbraw/zinc/13/62/02/367136202.db2.gz ISCQWPPMLFIGRI-MELADBBJSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185574083 367135611 /nfs/dbraw/zinc/13/56/11/367135611.db2.gz PWHNKIGSYZHMKZ-FVQBIDKESA-N 0 3 242.366 3.147 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185574115 367135527 /nfs/dbraw/zinc/13/55/27/367135527.db2.gz PWHNKIGSYZHMKZ-BMFZPTHFSA-N 0 3 242.366 3.147 20 30 BGEDHN Cc1ccc(CC[C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000185574422 367135690 /nfs/dbraw/zinc/13/56/90/367135690.db2.gz JPXIYBABXWNVPE-UONOGXRCSA-N 0 3 230.355 3.065 20 30 BGEDHN Cc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000185574439 367136052 /nfs/dbraw/zinc/13/60/52/367136052.db2.gz JPXIYBABXWNVPE-KBPBESRZSA-N 0 3 230.355 3.065 20 30 BGEDHN Cc1ccc(CC[C@@H](C)NC[C@H](C)C#N)cc1 ZINC000185574459 367135508 /nfs/dbraw/zinc/13/55/08/367135508.db2.gz JPXIYBABXWNVPE-ZIAGYGMSSA-N 0 3 230.355 3.065 20 30 BGEDHN Cc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1 ZINC000185574479 367135874 /nfs/dbraw/zinc/13/58/74/367135874.db2.gz JPXIYBABXWNVPE-KGLIPLIRSA-N 0 3 230.355 3.065 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000185587948 134382099 /nfs/dbraw/zinc/38/20/99/134382099.db2.gz FAXKWOZAAILMTF-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000185588699 134381969 /nfs/dbraw/zinc/38/19/69/134381969.db2.gz FAXKWOZAAILMTF-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000185588716 134381849 /nfs/dbraw/zinc/38/18/49/134381849.db2.gz FAXKWOZAAILMTF-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000185588738 536180246 /nfs/dbraw/zinc/18/02/46/536180246.db2.gz FAXKWOZAAILMTF-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN C=C(Br)CN1CC[C@@H](C)[C@H]1CC ZINC000185588767 711777402 /nfs/dbraw/zinc/77/74/02/711777402.db2.gz QVPMZHCDXKVEDO-PSASIEDQSA-N 0 3 232.165 3.015 20 30 BGEDHN C=C(Br)CN1CC[C@@H](C)[C@@H]1CC ZINC000185588789 711777324 /nfs/dbraw/zinc/77/73/24/711777324.db2.gz QVPMZHCDXKVEDO-SCZZXKLOSA-N 0 3 232.165 3.015 20 30 BGEDHN C=C(Br)CN1CC[C@H](C)[C@H]1CC ZINC000185588802 711777397 /nfs/dbraw/zinc/77/73/97/711777397.db2.gz QVPMZHCDXKVEDO-WCBMZHEXSA-N 0 3 232.165 3.015 20 30 BGEDHN C=C(Br)CN1CC[C@H](C)[C@@H]1CC ZINC000185588823 643339640 /nfs/dbraw/zinc/33/96/40/643339640.db2.gz QVPMZHCDXKVEDO-WPRPVWTQSA-N 0 3 232.165 3.015 20 30 BGEDHN C=CCCC[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000185619285 388589108 /nfs/dbraw/zinc/58/91/08/388589108.db2.gz FJDWLWARHGJFQK-NSHDSACASA-N 0 3 237.318 3.366 20 30 BGEDHN C=CCCC[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000185619306 259408616 /nfs/dbraw/zinc/40/86/16/259408616.db2.gz FJDWLWARHGJFQK-LLVKDONJSA-N 0 3 237.318 3.366 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000185623706 134386861 /nfs/dbraw/zinc/38/68/61/134386861.db2.gz TZSVEVQNHYOLTF-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000185623723 134386631 /nfs/dbraw/zinc/38/66/31/134386631.db2.gz TZSVEVQNHYOLTF-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000185623742 134386625 /nfs/dbraw/zinc/38/66/25/134386625.db2.gz TZSVEVQNHYOLTF-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1F ZINC000185623759 536180486 /nfs/dbraw/zinc/18/04/86/536180486.db2.gz TZSVEVQNHYOLTF-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)cc1C#N ZINC000185628057 134386846 /nfs/dbraw/zinc/38/68/46/134386846.db2.gz HVUIUIYCOKELDW-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(F)cc1C#N ZINC000185628073 134386466 /nfs/dbraw/zinc/38/64/66/134386466.db2.gz HVUIUIYCOKELDW-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)cc1C#N ZINC000185628097 134386964 /nfs/dbraw/zinc/38/69/64/134386964.db2.gz HVUIUIYCOKELDW-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)cc1C#N ZINC000185628116 536181043 /nfs/dbraw/zinc/18/10/43/536181043.db2.gz HVUIUIYCOKELDW-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccccc1C#N ZINC000185635653 386590045 /nfs/dbraw/zinc/59/00/45/386590045.db2.gz FJUDUBYQKZCNNP-IUODEOHRSA-N 0 3 228.339 3.179 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccccc1C#N ZINC000185635672 386589733 /nfs/dbraw/zinc/58/97/33/386589733.db2.gz FJUDUBYQKZCNNP-DOMZBBRYSA-N 0 3 228.339 3.179 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccccc1C#N ZINC000185635692 386589475 /nfs/dbraw/zinc/58/94/75/386589475.db2.gz FJUDUBYQKZCNNP-SWLSCSKDSA-N 0 3 228.339 3.179 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccccc1C#N ZINC000185635710 386590200 /nfs/dbraw/zinc/59/02/00/386590200.db2.gz FJUDUBYQKZCNNP-WFASDCNBSA-N 0 3 228.339 3.179 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000185671221 349353851 /nfs/dbraw/zinc/35/38/51/349353851.db2.gz UZZIXVCJVAPERZ-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000185671239 385734596 /nfs/dbraw/zinc/73/45/96/385734596.db2.gz UZZIXVCJVAPERZ-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000185671262 171156992 /nfs/dbraw/zinc/15/69/92/171156992.db2.gz UZZIXVCJVAPERZ-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1F ZINC000185671278 349353794 /nfs/dbraw/zinc/35/37/94/349353794.db2.gz UZZIXVCJVAPERZ-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN C#CCCCNc1ccnc2ccc(C)cc21 ZINC000185738338 643372753 /nfs/dbraw/zinc/37/27/53/643372753.db2.gz IHWLZFOONISKHB-UHFFFAOYSA-N 0 3 224.307 3.369 20 30 BGEDHN Cc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185753511 347212666 /nfs/dbraw/zinc/21/26/66/347212666.db2.gz FRQLPFUWZLKOSV-DZGCQCFKSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185753533 134932479 /nfs/dbraw/zinc/93/24/79/134932479.db2.gz FRQLPFUWZLKOSV-ZFWWWQNUSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185753553 347212777 /nfs/dbraw/zinc/21/27/77/347212777.db2.gz FRQLPFUWZLKOSV-UKRRQHHQSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185753576 347212618 /nfs/dbraw/zinc/21/26/18/347212618.db2.gz FRQLPFUWZLKOSV-HIFRSBDPSA-N 0 3 228.339 3.167 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756173 347212578 /nfs/dbraw/zinc/21/25/78/347212578.db2.gz OMWWYFHVCWKUJJ-KCQAQPDRSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756187 347212283 /nfs/dbraw/zinc/21/22/83/347212283.db2.gz OMWWYFHVCWKUJJ-VNHYZAJKSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756210 347212399 /nfs/dbraw/zinc/21/23/99/347212399.db2.gz OMWWYFHVCWKUJJ-YDHLFZDLSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756225 347212441 /nfs/dbraw/zinc/21/24/41/347212441.db2.gz OMWWYFHVCWKUJJ-IPYPFGDCSA-N 0 3 228.339 3.420 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185762922 134393742 /nfs/dbraw/zinc/39/37/42/134393742.db2.gz OLQWZTBLYKVLPL-GXTWGEPZSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185762942 134393695 /nfs/dbraw/zinc/39/36/95/134393695.db2.gz OLQWZTBLYKVLPL-JSGCOSHPSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185762957 134393826 /nfs/dbraw/zinc/39/38/26/134393826.db2.gz OLQWZTBLYKVLPL-TZMCWYRMSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185762980 134393576 /nfs/dbraw/zinc/39/35/76/134393576.db2.gz OLQWZTBLYKVLPL-OCCSQVGLSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185765565 347213137 /nfs/dbraw/zinc/21/31/37/347213137.db2.gz ZNNOQJPJJYKUOV-GXTWGEPZSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185765587 134932257 /nfs/dbraw/zinc/93/22/57/134932257.db2.gz ZNNOQJPJJYKUOV-JSGCOSHPSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185765605 134932933 /nfs/dbraw/zinc/93/29/33/134932933.db2.gz ZNNOQJPJJYKUOV-TZMCWYRMSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185765622 347213691 /nfs/dbraw/zinc/21/36/91/347213691.db2.gz ZNNOQJPJJYKUOV-OCCSQVGLSA-N 0 3 246.329 3.306 20 30 BGEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000185775905 134395111 /nfs/dbraw/zinc/39/51/11/134395111.db2.gz DAXGMOKVXUGIFG-OUCADQQQSA-N 0 3 244.338 3.329 20 30 BGEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000185775926 134394860 /nfs/dbraw/zinc/39/48/60/134394860.db2.gz DAXGMOKVXUGIFG-SCRDCRAPSA-N 0 3 244.338 3.329 20 30 BGEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000185775944 134394541 /nfs/dbraw/zinc/39/45/41/134394541.db2.gz DAXGMOKVXUGIFG-SGMGOOAPSA-N 0 3 244.338 3.329 20 30 BGEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCc3occc32)C1 ZINC000185775962 134394786 /nfs/dbraw/zinc/39/47/86/134394786.db2.gz DAXGMOKVXUGIFG-OBJOEFQTSA-N 0 3 244.338 3.329 20 30 BGEDHN CCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000185778857 134932253 /nfs/dbraw/zinc/93/22/53/134932253.db2.gz GCYJHHQPWHUQMV-NWDGAFQWSA-N 0 3 248.395 3.482 20 30 BGEDHN CCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000185778875 347214310 /nfs/dbraw/zinc/21/43/10/347214310.db2.gz GCYJHHQPWHUQMV-RYUDHWBXSA-N 0 3 248.395 3.482 20 30 BGEDHN CCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000185778893 347214350 /nfs/dbraw/zinc/21/43/50/347214350.db2.gz GCYJHHQPWHUQMV-VXGBXAGGSA-N 0 3 248.395 3.482 20 30 BGEDHN CCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000185778912 347214592 /nfs/dbraw/zinc/21/45/92/347214592.db2.gz GCYJHHQPWHUQMV-NEPJUHHUSA-N 0 3 248.395 3.482 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185785834 347214518 /nfs/dbraw/zinc/21/45/18/347214518.db2.gz HMAROVHQMUXWID-GOEBONIOSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185785850 347214301 /nfs/dbraw/zinc/21/43/01/347214301.db2.gz HMAROVHQMUXWID-HOCLYGCPSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185785868 347214494 /nfs/dbraw/zinc/21/44/94/347214494.db2.gz HMAROVHQMUXWID-GDBMZVCRSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185785887 347214509 /nfs/dbraw/zinc/21/45/09/347214509.db2.gz HMAROVHQMUXWID-ZBFHGGJFSA-N 0 3 242.366 3.475 20 30 BGEDHN CC[C@@H]1Cc2ccccc2CN1CCCC#N ZINC000185799666 347215069 /nfs/dbraw/zinc/21/50/69/347215069.db2.gz ZWSRUCUWGBFYIC-OAHLLOKOSA-N 0 3 228.339 3.127 20 30 BGEDHN CC[C@H]1Cc2ccccc2CN1CCCC#N ZINC000185799687 347215018 /nfs/dbraw/zinc/21/50/18/347215018.db2.gz ZWSRUCUWGBFYIC-HNNXBMFYSA-N 0 3 228.339 3.127 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821074 136275454 /nfs/dbraw/zinc/27/54/54/136275454.db2.gz OMWWYFHVCWKUJJ-GZBFAFLISA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821089 136275372 /nfs/dbraw/zinc/27/53/72/136275372.db2.gz OMWWYFHVCWKUJJ-GUTXKFCHSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821126 136275269 /nfs/dbraw/zinc/27/52/69/136275269.db2.gz OMWWYFHVCWKUJJ-UMVBOHGHSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821140 136275378 /nfs/dbraw/zinc/27/53/78/136275378.db2.gz OMWWYFHVCWKUJJ-NFAWXSAZSA-N 0 3 228.339 3.420 20 30 BGEDHN CCc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185842609 535939851 /nfs/dbraw/zinc/93/98/51/535939851.db2.gz HAHOOHBHENBMFK-XJKSGUPXSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185842626 136275209 /nfs/dbraw/zinc/27/52/09/136275209.db2.gz HAHOOHBHENBMFK-BBRMVZONSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185842646 535940563 /nfs/dbraw/zinc/94/05/63/535940563.db2.gz HAHOOHBHENBMFK-CZUORRHYSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185842665 136275315 /nfs/dbraw/zinc/27/53/15/136275315.db2.gz HAHOOHBHENBMFK-CJNGLKHVSA-N 0 3 242.366 3.421 20 30 BGEDHN N#C[C@@H]1CCC[C@@H](NC/C=C/c2ccccc2)C1 ZINC000185891703 388592921 /nfs/dbraw/zinc/59/29/21/388592921.db2.gz QWGAFPGOUGNCNY-IBBQAADRSA-N 0 3 240.350 3.372 20 30 BGEDHN N#C[C@@H]1CCC[C@H](NC/C=C/c2ccccc2)C1 ZINC000185891722 398092582 /nfs/dbraw/zinc/09/25/82/398092582.db2.gz QWGAFPGOUGNCNY-ZZQZRYSSSA-N 0 3 240.350 3.372 20 30 BGEDHN C=CCC[C@H](C)NCc1cn2cccc(C)c2n1 ZINC000186062070 353870056 /nfs/dbraw/zinc/87/00/56/353870056.db2.gz DBGDGWPGDRMONH-ZDUSSCGKSA-N 0 3 243.354 3.087 20 30 BGEDHN C=CCC[C@@H](C)NCc1cn2cccc(C)c2n1 ZINC000186062087 353870105 /nfs/dbraw/zinc/87/01/05/353870105.db2.gz DBGDGWPGDRMONH-CYBMUJFWSA-N 0 3 243.354 3.087 20 30 BGEDHN C#CCCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186104134 386729380 /nfs/dbraw/zinc/72/93/80/386729380.db2.gz ZDSKRQHOFSWSAM-CYBMUJFWSA-N 0 3 231.339 3.155 20 30 BGEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186104148 386729231 /nfs/dbraw/zinc/72/92/31/386729231.db2.gz ZDSKRQHOFSWSAM-ZDUSSCGKSA-N 0 3 231.339 3.155 20 30 BGEDHN C=C(C)COCCN[C@@H](CCC)c1cccnc1 ZINC000186114141 346493442 /nfs/dbraw/zinc/49/34/42/346493442.db2.gz LYZUYHVWEPGJCF-HNNXBMFYSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C(C)COCCN[C@H](CCC)c1cccnc1 ZINC000186114160 346493203 /nfs/dbraw/zinc/49/32/03/346493203.db2.gz LYZUYHVWEPGJCF-OAHLLOKOSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C#N)cc1C ZINC000186164355 387519476 /nfs/dbraw/zinc/51/94/76/387519476.db2.gz BXHXAWXRBZPZEL-UHFFFAOYSA-N 0 3 228.339 3.265 20 30 BGEDHN N#CCCCCN1Cc2ccccc2C2(CC2)C1 ZINC000186177275 387074102 /nfs/dbraw/zinc/07/41/02/387074102.db2.gz OOPYCMYKDRKPOP-UHFFFAOYSA-N 0 3 240.350 3.228 20 30 BGEDHN C=CCCOCCN[C@@H](CCC)c1cccnc1 ZINC000186185834 386732900 /nfs/dbraw/zinc/73/29/00/386732900.db2.gz WTJOGRZPBGJPQY-HNNXBMFYSA-N 0 3 248.370 3.105 20 30 BGEDHN C=CCCOCCN[C@H](CCC)c1cccnc1 ZINC000186185855 386732105 /nfs/dbraw/zinc/73/21/05/386732105.db2.gz WTJOGRZPBGJPQY-OAHLLOKOSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C(C)CN1Cc2ccccc2C2(CC2)C1 ZINC000186235807 387084165 /nfs/dbraw/zinc/08/41/65/387084165.db2.gz PAKRBMRWLOYDNZ-UHFFFAOYSA-N 0 3 213.324 3.110 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CCCC2(CC2)C1 ZINC000186336165 386718677 /nfs/dbraw/zinc/71/86/77/386718677.db2.gz HQUTYJFBJULVIO-UHFFFAOYSA-N 0 3 240.350 3.243 20 30 BGEDHN C#CCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000186363855 643687742 /nfs/dbraw/zinc/68/77/42/643687742.db2.gz VGJYPUFWCRAVPN-LLVKDONJSA-N 0 3 236.384 3.331 20 30 BGEDHN C#CCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000186363876 643686427 /nfs/dbraw/zinc/68/64/27/643686427.db2.gz VGJYPUFWCRAVPN-NSHDSACASA-N 0 3 236.384 3.331 20 30 BGEDHN C[C@@H](C1CC1)N(C)Cc1ccc(Cl)cc1C#N ZINC000186536393 397777136 /nfs/dbraw/zinc/77/71/36/397777136.db2.gz XBUVQKBNTYTKPJ-JTQLQIEISA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@H](C1CC1)N(C)Cc1ccc(Cl)cc1C#N ZINC000186536413 347236413 /nfs/dbraw/zinc/23/64/13/347236413.db2.gz XBUVQKBNTYTKPJ-SNVBAGLBSA-N 0 3 248.757 3.442 20 30 BGEDHN C=CCC[C@H](N[C@@H](CCO)c1ccco1)C1CC1 ZINC000186543243 353869842 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/nfs/dbraw/zinc/87/01/10/353870110.db2.gz BYQMHCLSEFVNBR-QWHCGFSZSA-N 0 3 237.343 3.038 20 30 BGEDHN C=CCC[C@@H](CC)N[C@H](CCO)c1ccco1 ZINC000186558982 353869654 /nfs/dbraw/zinc/86/96/54/353869654.db2.gz BYQMHCLSEFVNBR-CHWSQXEVSA-N 0 3 237.343 3.038 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C)nc1C ZINC000186562430 387109559 /nfs/dbraw/zinc/10/95/59/387109559.db2.gz OMWYGBVRUSUFLO-UHFFFAOYSA-N 0 3 218.344 3.096 20 30 BGEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000186689138 534317097 /nfs/dbraw/zinc/31/70/97/534317097.db2.gz FRBRZNSQEIMAND-AAEUAGOBSA-N 0 3 245.322 3.020 20 30 BGEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000186689152 136207478 /nfs/dbraw/zinc/20/74/78/136207478.db2.gz FRBRZNSQEIMAND-YPMHNXCESA-N 0 3 245.322 3.020 20 30 BGEDHN C=CC[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000186689167 136207466 /nfs/dbraw/zinc/20/74/66/136207466.db2.gz FRBRZNSQEIMAND-WCQYABFASA-N 0 3 245.322 3.020 20 30 BGEDHN C=CC[C@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000186689186 136207476 /nfs/dbraw/zinc/20/74/76/136207476.db2.gz FRBRZNSQEIMAND-DGCLKSJQSA-N 0 3 245.322 3.020 20 30 BGEDHN C=CCNC(C)(C)c1cccc(Cl)c1F ZINC000186885378 398077288 /nfs/dbraw/zinc/07/72/88/398077288.db2.gz OSEIEQRURNOMDZ-UHFFFAOYSA-N 0 3 227.710 3.490 20 30 BGEDHN N#CCCCN1CCC(c2ccsc2)CC1 ZINC000186910363 347242453 /nfs/dbraw/zinc/24/24/53/347242453.db2.gz PDFSEUMQMLHWFH-UHFFFAOYSA-N 0 3 234.368 3.231 20 30 BGEDHN CCCc1cccc(CN2CCC(C#N)CC2)c1 ZINC000186921732 388604494 /nfs/dbraw/zinc/60/44/94/388604494.db2.gz RJNCCDFYEGOUIR-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN CC#CCCN1CCC(c2ccsc2)CC1 ZINC000186923129 387146394 /nfs/dbraw/zinc/14/63/94/387146394.db2.gz HNJYSKYPPZHUDA-UHFFFAOYSA-N 0 3 233.380 3.341 20 30 BGEDHN C=CCN1CCC(c2ccsc2)CC1 ZINC000186925306 342783320 /nfs/dbraw/zinc/78/33/20/342783320.db2.gz GUJYVIUVXCYUCS-UHFFFAOYSA-N 0 3 207.342 3.114 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCC2(CC2)C1 ZINC000186975167 176013465 /nfs/dbraw/zinc/01/34/65/176013465.db2.gz RBLLNBCROGDPFA-ZDUSSCGKSA-N 0 3 240.350 3.495 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCCC2(CC2)C1 ZINC000186975187 177032880 /nfs/dbraw/zinc/03/28/80/177032880.db2.gz RBLLNBCROGDPFA-CYBMUJFWSA-N 0 3 240.350 3.495 20 30 BGEDHN C=CC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000187017284 387153499 /nfs/dbraw/zinc/15/34/99/387153499.db2.gz OXQCYOKATKEXHU-UHFFFAOYSA-N 0 3 230.355 3.096 20 30 BGEDHN CCN(Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000187024986 384153930 /nfs/dbraw/zinc/15/39/30/384153930.db2.gz YLSHMBIMTXJNHY-UHFFFAOYSA-N 0 3 248.757 3.444 20 30 BGEDHN C=CCCCN(C)Cc1ccc(C)nc1C ZINC000187060711 387155471 /nfs/dbraw/zinc/15/54/71/387155471.db2.gz MSRLKCOUGUUJER-UHFFFAOYSA-N 0 3 218.344 3.096 20 30 BGEDHN C#CCN(Cc1ccc(C)nc1C)C1CCCC1 ZINC000187155990 388606644 /nfs/dbraw/zinc/60/66/44/388606644.db2.gz BAJJLHJDFFREJC-UHFFFAOYSA-N 0 3 242.366 3.076 20 30 BGEDHN C[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000187517484 384843458 /nfs/dbraw/zinc/84/34/58/384843458.db2.gz NJFZPWKSARFVLB-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000187517505 384840934 /nfs/dbraw/zinc/84/09/34/384840934.db2.gz NJFZPWKSARFVLB-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000187519136 176064798 /nfs/dbraw/zinc/06/47/98/176064798.db2.gz DHNNXAIRVMJDFQ-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000187519154 177071518 /nfs/dbraw/zinc/07/15/18/177071518.db2.gz DHNNXAIRVMJDFQ-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C#N)cs1 ZINC000187579398 384893386 /nfs/dbraw/zinc/89/33/86/384893386.db2.gz KSULUMFHWJMVNE-ZWNOBZJWSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1cc(C#N)cs1 ZINC000187579416 384891432 /nfs/dbraw/zinc/89/14/32/384891432.db2.gz KSULUMFHWJMVNE-MFKMUULPSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C#N)cs1 ZINC000187579433 384892293 /nfs/dbraw/zinc/89/22/93/384892293.db2.gz KSULUMFHWJMVNE-GXFFZTMASA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C#N)cs1 ZINC000187579444 384893808 /nfs/dbraw/zinc/89/38/08/384893808.db2.gz KSULUMFHWJMVNE-GWCFXTLKSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000187582536 171160671 /nfs/dbraw/zinc/16/06/71/171160671.db2.gz DPQILLRMKIWSRR-ZWNOBZJWSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000187582556 384888662 /nfs/dbraw/zinc/88/86/62/384888662.db2.gz DPQILLRMKIWSRR-MFKMUULPSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)s1 ZINC000187582574 171155413 /nfs/dbraw/zinc/15/54/13/171155413.db2.gz DPQILLRMKIWSRR-GXFFZTMASA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)s1 ZINC000187582595 384896708 /nfs/dbraw/zinc/89/67/08/384896708.db2.gz DPQILLRMKIWSRR-GWCFXTLKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCS[C@H](C)C1 ZINC000187675752 176016744 /nfs/dbraw/zinc/01/67/44/176016744.db2.gz SKGJWDPIHIOYEL-NEPJUHHUSA-N 0 3 246.379 3.057 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@H](C#N)CCC#N ZINC000187686076 387222560 /nfs/dbraw/zinc/22/25/60/387222560.db2.gz LSHHNXJMVCIIEZ-RDBSUJKOSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NC[C@H](C#N)CCC#N ZINC000187686094 387222466 /nfs/dbraw/zinc/22/24/66/387222466.db2.gz LSHHNXJMVCIIEZ-IHRRRGAJSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC[C@H](C#N)CCC#N ZINC000187686112 387222610 /nfs/dbraw/zinc/22/26/10/387222610.db2.gz LSHHNXJMVCIIEZ-HZSPNIEDSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@H]1NC[C@H](C#N)CCC#N ZINC000187686132 387224468 /nfs/dbraw/zinc/22/44/68/387224468.db2.gz LSHHNXJMVCIIEZ-MELADBBJSA-N 0 3 247.386 3.234 20 30 BGEDHN C=CCCCCCN(C)[C@@H](C)c1cnn(C)c1 ZINC000187694915 259302489 /nfs/dbraw/zinc/30/24/89/259302489.db2.gz PPUKMSPFVKSAQP-ZDUSSCGKSA-N 0 3 235.375 3.159 20 30 BGEDHN C=CCCCCCN(C)[C@H](C)c1cnn(C)c1 ZINC000187694937 259302419 /nfs/dbraw/zinc/30/24/19/259302419.db2.gz PPUKMSPFVKSAQP-CYBMUJFWSA-N 0 3 235.375 3.159 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCCCC1 ZINC000187717027 176016710 /nfs/dbraw/zinc/01/67/10/176016710.db2.gz XVTSFYPSBLGIFD-LBPRGKRZSA-N 0 3 214.312 3.105 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCCCC1 ZINC000187717049 177035156 /nfs/dbraw/zinc/03/51/56/177035156.db2.gz XVTSFYPSBLGIFD-GFCCVEGCSA-N 0 3 214.312 3.105 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187717574 386583163 /nfs/dbraw/zinc/58/31/63/386583163.db2.gz NSHKOKNZELCGAW-LBPRGKRZSA-N 0 3 214.312 3.127 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000187717591 386584339 /nfs/dbraw/zinc/58/43/39/386584339.db2.gz NSHKOKNZELCGAW-GFCCVEGCSA-N 0 3 214.312 3.127 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCCC2(CC2)C1 ZINC000187728601 176016890 /nfs/dbraw/zinc/01/68/90/176016890.db2.gz ZAQSKLPSLPDRGX-ZDUSSCGKSA-N 0 3 240.350 3.495 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCCC2(CC2)C1 ZINC000187728620 177034966 /nfs/dbraw/zinc/03/49/66/177034966.db2.gz ZAQSKLPSLPDRGX-CYBMUJFWSA-N 0 3 240.350 3.495 20 30 BGEDHN CC#CCN(CC)[C@@H](C)Cc1ccsc1 ZINC000187792055 259360997 /nfs/dbraw/zinc/36/09/97/259360997.db2.gz VOISKCDNDLBFMC-LBPRGKRZSA-N 0 3 221.369 3.024 20 30 BGEDHN CC#CCN(CC)[C@H](C)Cc1ccsc1 ZINC000187792075 259360991 /nfs/dbraw/zinc/36/09/91/259360991.db2.gz VOISKCDNDLBFMC-GFCCVEGCSA-N 0 3 221.369 3.024 20 30 BGEDHN CCN(CCCC#N)[C@@H](C)Cc1ccsc1 ZINC000187799077 347265416 /nfs/dbraw/zinc/26/54/16/347265416.db2.gz RCOYNDJKIXMDLL-LBPRGKRZSA-N 0 3 236.384 3.305 20 30 BGEDHN CCN(CCCC#N)[C@H](C)Cc1ccsc1 ZINC000187799099 347265443 /nfs/dbraw/zinc/26/54/43/347265443.db2.gz RCOYNDJKIXMDLL-GFCCVEGCSA-N 0 3 236.384 3.305 20 30 BGEDHN C[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000187909749 384558520 /nfs/dbraw/zinc/55/85/20/384558520.db2.gz BBDCWWGZNTYTPA-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000187909775 384558563 /nfs/dbraw/zinc/55/85/63/384558563.db2.gz BBDCWWGZNTYTPA-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000187940189 384264160 /nfs/dbraw/zinc/26/41/60/384264160.db2.gz LUJVEBITOJOYDS-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000187940217 384267112 /nfs/dbraw/zinc/26/71/12/384267112.db2.gz LUJVEBITOJOYDS-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000187952536 259371848 /nfs/dbraw/zinc/37/18/48/259371848.db2.gz ODBFVBPOFTXNNB-CYBMUJFWSA-N 0 3 228.339 3.180 20 30 BGEDHN C[C@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000187952567 259371845 /nfs/dbraw/zinc/37/18/45/259371845.db2.gz ODBFVBPOFTXNNB-ZDUSSCGKSA-N 0 3 228.339 3.180 20 30 BGEDHN C[C@@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000187984626 398343411 /nfs/dbraw/zinc/34/34/11/398343411.db2.gz VRAQQSITPVOBAR-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000187984652 398343403 /nfs/dbraw/zinc/34/34/03/398343403.db2.gz VRAQQSITPVOBAR-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1nccnc1C ZINC000188305287 346801065 /nfs/dbraw/zinc/80/10/65/346801065.db2.gz UKVPWSQQAPSQJQ-WCQYABFASA-N 0 3 233.359 3.180 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1nccnc1C ZINC000188305315 346801178 /nfs/dbraw/zinc/80/11/78/346801178.db2.gz UKVPWSQQAPSQJQ-AAEUAGOBSA-N 0 3 233.359 3.180 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000188305336 346801271 /nfs/dbraw/zinc/80/12/71/346801271.db2.gz UKVPWSQQAPSQJQ-DGCLKSJQSA-N 0 3 233.359 3.180 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000188305363 346801052 /nfs/dbraw/zinc/80/10/52/346801052.db2.gz UKVPWSQQAPSQJQ-YPMHNXCESA-N 0 3 233.359 3.180 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188395402 346808691 /nfs/dbraw/zinc/80/86/91/346808691.db2.gz IIPKCCXNQNYZJQ-FVQBIDKESA-N 0 3 242.366 3.147 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188395448 346808462 /nfs/dbraw/zinc/80/84/62/346808462.db2.gz IIPKCCXNQNYZJQ-BMFZPTHFSA-N 0 3 242.366 3.147 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188395562 346808211 /nfs/dbraw/zinc/80/82/11/346808211.db2.gz PKDJJIVYPUHREQ-FVQBIDKESA-N 0 3 242.366 3.246 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188395612 346808151 /nfs/dbraw/zinc/80/81/51/346808151.db2.gz PKDJJIVYPUHREQ-VNQPRFMTSA-N 0 3 242.366 3.246 20 30 BGEDHN C[C@H](C#N)CNC[C@@H](C)c1cccc(Cl)c1 ZINC000188395890 343928635 /nfs/dbraw/zinc/92/86/35/343928635.db2.gz FABBTZXMVYFYSB-GHMZBOCLSA-N 0 3 236.746 3.193 20 30 BGEDHN C[C@@H](C#N)CNC[C@@H](C)c1cccc(Cl)c1 ZINC000188395914 343928557 /nfs/dbraw/zinc/92/85/57/343928557.db2.gz FABBTZXMVYFYSB-WDEREUQCSA-N 0 3 236.746 3.193 20 30 BGEDHN C[C@@H](CNC[C@H](C)C#N)c1cccc(Cl)c1 ZINC000188395941 398097646 /nfs/dbraw/zinc/09/76/46/398097646.db2.gz FABBTZXMVYFYSB-MNOVXSKESA-N 0 3 236.746 3.193 20 30 BGEDHN C[C@@H](C#N)CNC[C@H](C)c1cccc(Cl)c1 ZINC000188395964 343928719 /nfs/dbraw/zinc/92/87/19/343928719.db2.gz FABBTZXMVYFYSB-QWRGUYRKSA-N 0 3 236.746 3.193 20 30 BGEDHN C=CCN(CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000188618758 385808322 /nfs/dbraw/zinc/80/83/22/385808322.db2.gz FIUPIZDZEAKCAF-INIZCTEOSA-N 0 3 245.366 3.244 20 30 BGEDHN C=CCN(CC[C@H]1CCCO1)Cc1ccccc1 ZINC000188618780 259410939 /nfs/dbraw/zinc/41/09/39/259410939.db2.gz FIUPIZDZEAKCAF-MRXNPFEDSA-N 0 3 245.366 3.244 20 30 BGEDHN N#CCCCCNCc1ccc(Cl)cc1F ZINC000189317974 353292145 /nfs/dbraw/zinc/29/21/45/353292145.db2.gz QDQGFTSTQGGYHD-UHFFFAOYSA-N 0 3 240.709 3.263 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000189344955 168187046 /nfs/dbraw/zinc/18/70/46/168187046.db2.gz AAZUQHHHYZNBRM-ZDUSSCGKSA-N 0 3 228.339 3.351 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000189344976 168186623 /nfs/dbraw/zinc/18/66/23/168186623.db2.gz AAZUQHHHYZNBRM-CYBMUJFWSA-N 0 3 228.339 3.351 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(F)nc1 ZINC000189371393 641805673 /nfs/dbraw/zinc/80/56/73/641805673.db2.gz IBAJTUCOQCYGIO-UHFFFAOYSA-N 0 3 236.334 3.399 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@H](C)COC ZINC000189577039 346965043 /nfs/dbraw/zinc/96/50/43/346965043.db2.gz HOHDPHPWJAJCTL-LBPRGKRZSA-N 0 3 239.384 3.019 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@@H](C)COC ZINC000189577056 346965150 /nfs/dbraw/zinc/96/51/50/346965150.db2.gz HOHDPHPWJAJCTL-GFCCVEGCSA-N 0 3 239.384 3.019 20 30 BGEDHN CC(C)C1(C)CCN(Cc2ccc(C#N)o2)CC1 ZINC000189949075 385337700 /nfs/dbraw/zinc/33/77/00/385337700.db2.gz VDOGMKBESZOYDZ-UHFFFAOYSA-N 0 3 246.354 3.409 20 30 BGEDHN CC#CCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190162183 388646857 /nfs/dbraw/zinc/64/68/57/388646857.db2.gz HMCOANPKJRGWGV-NSHDSACASA-N 0 3 247.304 3.310 20 30 BGEDHN CC#CCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190162200 388647698 /nfs/dbraw/zinc/64/76/98/388647698.db2.gz HMCOANPKJRGWGV-LLVKDONJSA-N 0 3 247.304 3.310 20 30 BGEDHN CC1(C)CN(CCCC#N)CC[C@@H]1C(F)(F)F ZINC000190168562 357690910 /nfs/dbraw/zinc/69/09/10/357690910.db2.gz HPCRUPWTPYKKOI-JTQLQIEISA-N 0 3 248.292 3.201 20 30 BGEDHN CC1(C)CN(CCCC#N)CC[C@H]1C(F)(F)F ZINC000190168584 357690940 /nfs/dbraw/zinc/69/09/40/357690940.db2.gz HPCRUPWTPYKKOI-SNVBAGLBSA-N 0 3 248.292 3.201 20 30 BGEDHN C=C(C)CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190169341 388647554 /nfs/dbraw/zinc/64/75/54/388647554.db2.gz JTBMLRPHUFNJRJ-JTQLQIEISA-N 0 3 235.293 3.473 20 30 BGEDHN C=C(C)CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190169366 388647255 /nfs/dbraw/zinc/64/72/55/388647255.db2.gz JTBMLRPHUFNJRJ-SNVBAGLBSA-N 0 3 235.293 3.473 20 30 BGEDHN C=CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190185476 388648904 /nfs/dbraw/zinc/64/89/04/388648904.db2.gz SJECGMYOAGMEGA-VIFPVBQESA-N 0 3 221.266 3.083 20 30 BGEDHN C=CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190185500 388648209 /nfs/dbraw/zinc/64/82/09/388648209.db2.gz SJECGMYOAGMEGA-SECBINFHSA-N 0 3 221.266 3.083 20 30 BGEDHN C=CCN(CCC(=O)CC)CCc1ccccc1 ZINC000190201756 636040586 /nfs/dbraw/zinc/04/05/86/636040586.db2.gz DNMFADPLOJOJKV-UHFFFAOYSA-N 0 3 245.366 3.086 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000190312322 357699774 /nfs/dbraw/zinc/69/97/74/357699774.db2.gz YPEVAWXNBILUFG-GDBMZVCRSA-N 0 3 245.366 3.242 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000190312338 357699804 /nfs/dbraw/zinc/69/98/04/357699804.db2.gz YPEVAWXNBILUFG-GOEBONIOSA-N 0 3 245.366 3.242 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190312356 357700030 /nfs/dbraw/zinc/70/00/30/357700030.db2.gz YPEVAWXNBILUFG-ZBFHGGJFSA-N 0 3 245.366 3.242 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000190312377 357700056 /nfs/dbraw/zinc/70/00/56/357700056.db2.gz YPEVAWXNBILUFG-HOCLYGCPSA-N 0 3 245.366 3.242 20 30 BGEDHN CC#CCN(CC)Cc1c[nH]c2ccccc12 ZINC000190466703 386183409 /nfs/dbraw/zinc/18/34/09/386183409.db2.gz OQGJJYUUKAECJB-UHFFFAOYSA-N 0 3 226.323 3.013 20 30 BGEDHN C=CCN(CC)Cc1c[nH]c2ccccc12 ZINC000190498165 398230696 /nfs/dbraw/zinc/23/06/96/398230696.db2.gz YTIXLTQXWPYANH-UHFFFAOYSA-N 0 3 214.312 3.176 20 30 BGEDHN CCN(CCCC#N)Cc1c[nH]c2ccccc12 ZINC000190498939 357709880 /nfs/dbraw/zinc/70/98/80/357709880.db2.gz HDGOXFFBPAOMEJ-UHFFFAOYSA-N 0 3 241.338 3.294 20 30 BGEDHN C=C(C)CN(C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191013903 388659179 /nfs/dbraw/zinc/65/91/79/388659179.db2.gz PASAYCDQCQBXGG-AWEZNQCLSA-N 0 3 237.387 3.376 20 30 BGEDHN C=C(C)CN(C)C[C@H]1CCC2(CCCCC2)O1 ZINC000191013922 259570386 /nfs/dbraw/zinc/57/03/86/259570386.db2.gz PASAYCDQCQBXGG-CQSZACIVSA-N 0 3 237.387 3.376 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CN(C)[C@@H](C)CC#N ZINC000191065429 386472717 /nfs/dbraw/zinc/47/27/17/386472717.db2.gz KJNVTLAAWLNMKO-IHRRRGAJSA-N 0 3 220.360 3.213 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CN(C)[C@@H](C)CC#N ZINC000191065461 386472541 /nfs/dbraw/zinc/47/25/41/386472541.db2.gz KJNVTLAAWLNMKO-MELADBBJSA-N 0 3 220.360 3.213 20 30 BGEDHN C=CCN(CCOC)[C@H](C)c1cccc(C)c1 ZINC000191098601 357749992 /nfs/dbraw/zinc/74/99/92/357749992.db2.gz QLWOEJOHAZVLAD-CQSZACIVSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(CCOC)[C@@H](C)c1cccc(C)c1 ZINC000191098622 357749902 /nfs/dbraw/zinc/74/99/02/357749902.db2.gz QLWOEJOHAZVLAD-AWEZNQCLSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(CCOC)[C@@H](C)c1ccc(F)cc1 ZINC000191108031 357750383 /nfs/dbraw/zinc/75/03/83/357750383.db2.gz WWDJOTNGESNFQT-LBPRGKRZSA-N 0 3 237.318 3.021 20 30 BGEDHN C=CCN(CCOC)[C@H](C)c1ccc(F)cc1 ZINC000191108051 357750366 /nfs/dbraw/zinc/75/03/66/357750366.db2.gz WWDJOTNGESNFQT-GFCCVEGCSA-N 0 3 237.318 3.021 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000191114108 176144435 /nfs/dbraw/zinc/14/44/35/176144435.db2.gz WHCQIUMIXNEUER-NEPJUHHUSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H]1CCC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000191114124 177137256 /nfs/dbraw/zinc/13/72/56/177137256.db2.gz WHCQIUMIXNEUER-RYUDHWBXSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)CC1 ZINC000191114139 176123644 /nfs/dbraw/zinc/12/36/44/176123644.db2.gz WHCQIUMIXNEUER-VXGBXAGGSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)CC1 ZINC000191114155 177123141 /nfs/dbraw/zinc/12/31/41/177123141.db2.gz WHCQIUMIXNEUER-NWDGAFQWSA-N 0 3 232.327 3.210 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1C(C)=CCC[C@H]1C ZINC000191115493 386757253 /nfs/dbraw/zinc/75/72/53/386757253.db2.gz XFKYTSRHONFECU-MCIONIFRSA-N 0 3 220.360 3.261 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1C(C)=CCC[C@H]1C ZINC000191115523 386757285 /nfs/dbraw/zinc/75/72/85/386757285.db2.gz XFKYTSRHONFECU-MGPQQGTHSA-N 0 3 220.360 3.261 20 30 BGEDHN C=CCCCCCN(C)Cc1cc(C#N)n(C)c1 ZINC000191377273 357767115 /nfs/dbraw/zinc/76/71/15/357767115.db2.gz NVCHIPPEAYUNMV-UHFFFAOYSA-N 0 3 245.370 3.075 20 30 BGEDHN CCC[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000191492326 387467999 /nfs/dbraw/zinc/46/79/99/387467999.db2.gz VQKGJSNUQLCUII-CQSZACIVSA-N 0 3 245.370 3.051 20 30 BGEDHN CCC[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000191492338 387467255 /nfs/dbraw/zinc/46/72/55/387467255.db2.gz VQKGJSNUQLCUII-AWEZNQCLSA-N 0 3 245.370 3.051 20 30 BGEDHN C=CCN(C)Cc1ccc(OCC2CC2)cc1 ZINC000191533841 357784060 /nfs/dbraw/zinc/78/40/60/357784060.db2.gz ZZDLVVQLUAKVKC-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN C=C(C)CNCc1ccc(OCC2CC2)cc1 ZINC000191539938 259575358 /nfs/dbraw/zinc/57/53/58/259575358.db2.gz CXVWOHOIUXGFDF-UHFFFAOYSA-N 0 3 231.339 3.141 20 30 BGEDHN C=CCOc1ccccc1CNCC=C(C)C ZINC000191629987 323192020 /nfs/dbraw/zinc/19/20/20/323192020.db2.gz JFBZHERGNOPEAI-UHFFFAOYSA-N 0 3 231.339 3.307 20 30 BGEDHN C=CCOc1cccc(CNCC=C(C)C)c1 ZINC000191631646 259576181 /nfs/dbraw/zinc/57/61/81/259576181.db2.gz KUIPBWIKUVNJJX-UHFFFAOYSA-N 0 3 231.339 3.307 20 30 BGEDHN CC(C)C(CNCc1ccc(C#N)o1)C(C)C ZINC000191702969 188003681 /nfs/dbraw/zinc/00/36/81/188003681.db2.gz LNKLZHFDORNEED-UHFFFAOYSA-N 0 3 234.343 3.169 20 30 BGEDHN C=CCN(CCOC)C/C(C)=C/c1ccccc1 ZINC000191757241 388669427 /nfs/dbraw/zinc/66/94/27/388669427.db2.gz CPSCWMHPXFUXKG-FYWRMAATSA-N 0 3 245.366 3.224 20 30 BGEDHN C=CCN(CCOC)Cc1coc2ccccc12 ZINC000191760481 357794475 /nfs/dbraw/zinc/79/44/75/357794475.db2.gz IFGMEZHQKMNTLG-UHFFFAOYSA-N 0 3 245.322 3.067 20 30 BGEDHN CC1(C)CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000191851334 388671479 /nfs/dbraw/zinc/67/14/79/388671479.db2.gz MNJCSJHJPTYPGU-AWEZNQCLSA-N 0 3 246.329 3.366 20 30 BGEDHN CC1(C)CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000191851345 388671409 /nfs/dbraw/zinc/67/14/09/388671409.db2.gz MNJCSJHJPTYPGU-CQSZACIVSA-N 0 3 246.329 3.366 20 30 BGEDHN CCCCN(CC)CC#Cc1ccccc1 ZINC000191879175 363195671 /nfs/dbraw/zinc/19/56/71/363195671.db2.gz CNQQBJLQQRONOX-UHFFFAOYSA-N 0 3 215.340 3.160 20 30 BGEDHN CC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191901856 355863359 /nfs/dbraw/zinc/86/33/59/355863359.db2.gz RXRGWQZLADZVSS-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191901867 355863314 /nfs/dbraw/zinc/86/33/14/355863314.db2.gz RXRGWQZLADZVSS-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000191907294 355865137 /nfs/dbraw/zinc/86/51/37/355865137.db2.gz DPHPJIOLAUOXLR-CQSZACIVSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000191907304 355865310 /nfs/dbraw/zinc/86/53/10/355865310.db2.gz DPHPJIOLAUOXLR-AWEZNQCLSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(CC#Cc1ccccc1)C1CCCCC1 ZINC000191907767 398103344 /nfs/dbraw/zinc/10/33/44/398103344.db2.gz AATGTXDKJTVLAB-UHFFFAOYSA-N 0 3 227.351 3.303 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(CC#Cc2ccccc2)C1 ZINC000191908435 398103614 /nfs/dbraw/zinc/10/36/14/398103614.db2.gz YZLUKUUGHWGKDA-HUUCEWRRSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191908578 355865112 /nfs/dbraw/zinc/86/51/12/355865112.db2.gz WZAIMASDJSGOBD-TXEJJXNPSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191908584 355865385 /nfs/dbraw/zinc/86/53/85/355865385.db2.gz WZAIMASDJSGOBD-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191908594 355865378 /nfs/dbraw/zinc/86/53/78/355865378.db2.gz WZAIMASDJSGOBD-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000191910209 355865990 /nfs/dbraw/zinc/86/59/90/355865990.db2.gz XYBKBUVUVDNBAA-LLVKDONJSA-N 0 3 232.302 3.072 20 30 BGEDHN C[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000191910217 355866223 /nfs/dbraw/zinc/86/62/23/355866223.db2.gz XYBKBUVUVDNBAA-NSHDSACASA-N 0 3 232.302 3.072 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C#N)c(F)c1 ZINC000191910404 353520734 /nfs/dbraw/zinc/52/07/34/353520734.db2.gz MNWWDVVTUABYPO-UHFFFAOYSA-N 0 3 232.302 3.095 20 30 BGEDHN N#Cc1ccc(CN2CCCCCC2)cc1F ZINC000191917444 355867943 /nfs/dbraw/zinc/86/79/43/355867943.db2.gz LRHZJCDWWJWPOZ-UHFFFAOYSA-N 0 3 232.302 3.073 20 30 BGEDHN CC(C)CN(CC#Cc1ccccc1)C1CC1 ZINC000191934450 388672112 /nfs/dbraw/zinc/67/21/12/388672112.db2.gz UULAFWYFYJIJCW-UHFFFAOYSA-N 0 3 227.351 3.159 20 30 BGEDHN CCN(CC#Cc1ccccc1)CC(C)C ZINC000191935621 388672143 /nfs/dbraw/zinc/67/21/43/388672143.db2.gz CHDJPTLRILPJAU-UHFFFAOYSA-N 0 3 215.340 3.016 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191941839 357806287 /nfs/dbraw/zinc/80/62/87/357806287.db2.gz LDAXMDNZOAXBDN-UHFFFAOYSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H](C1CC1)N(CC#Cc1ccccc1)C1CC1 ZINC000191941865 388671932 /nfs/dbraw/zinc/67/19/32/388671932.db2.gz AZTKHFSELIHAFR-AWEZNQCLSA-N 0 3 239.362 3.301 20 30 BGEDHN C[C@H](C1CC1)N(CC#Cc1ccccc1)C1CC1 ZINC000191941868 388671970 /nfs/dbraw/zinc/67/19/70/388671970.db2.gz AZTKHFSELIHAFR-CQSZACIVSA-N 0 3 239.362 3.301 20 30 BGEDHN CN(CC#Cc1ccccc1)CCc1ccccc1 ZINC000191948100 388671983 /nfs/dbraw/zinc/67/19/83/388671983.db2.gz ZSPLUWAQXIXIQT-UHFFFAOYSA-N 0 3 249.357 3.213 20 30 BGEDHN CC(C)CCN(C)CC#Cc1ccccc1 ZINC000191952471 538994028 /nfs/dbraw/zinc/99/40/28/538994028.db2.gz VHLVUIAYYADWPS-UHFFFAOYSA-N 0 3 215.340 3.016 20 30 BGEDHN CC(C)CCN(C)Cc1ccc(C#N)c(F)c1 ZINC000191952555 387249037 /nfs/dbraw/zinc/24/90/37/387249037.db2.gz IROLFJGCFYQNNO-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191968377 355947758 /nfs/dbraw/zinc/94/77/58/355947758.db2.gz XXRNVZXLGVBSAG-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191968384 355947587 /nfs/dbraw/zinc/94/75/87/355947587.db2.gz XXRNVZXLGVBSAG-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CN(CC#Cc1ccccc1)CC1CCCC1 ZINC000191972961 388672101 /nfs/dbraw/zinc/67/21/01/388672101.db2.gz UAGIUGJPZGCROU-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN CC1(C)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000191990157 355944909 /nfs/dbraw/zinc/94/49/09/355944909.db2.gz PBLHDUDESLTOQE-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CCCN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191994076 355945164 /nfs/dbraw/zinc/94/51/64/355945164.db2.gz BAADYPCOVVRHET-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN C(#Cc1ccccc1)CN(C1CC1)C1CCCC1 ZINC000192014810 365240135 /nfs/dbraw/zinc/24/01/35/365240135.db2.gz FFJZNOZPTUCKNL-UHFFFAOYSA-N 0 3 239.362 3.445 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192015786 177117385 /nfs/dbraw/zinc/11/73/85/177117385.db2.gz ORPTVXVHHYKKQY-TXEJJXNPSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192015793 177132177 /nfs/dbraw/zinc/13/21/77/177132177.db2.gz ORPTVXVHHYKKQY-RYUDHWBXSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192015796 176116251 /nfs/dbraw/zinc/11/62/51/176116251.db2.gz ORPTVXVHHYKKQY-VXGBXAGGSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H](C)CN(C)CC#Cc1ccccc1 ZINC000192018461 324196649 /nfs/dbraw/zinc/19/66/49/324196649.db2.gz OCOTUJJDOJIXRM-CQSZACIVSA-N 0 3 215.340 3.016 20 30 BGEDHN CC[C@H](C)CN(C)CC#Cc1ccccc1 ZINC000192018466 324196670 /nfs/dbraw/zinc/19/66/70/324196670.db2.gz OCOTUJJDOJIXRM-AWEZNQCLSA-N 0 3 215.340 3.016 20 30 BGEDHN C=CC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192018779 206017732 /nfs/dbraw/zinc/01/77/32/206017732.db2.gz IXQIJFUHXWSLOH-UHFFFAOYSA-N 0 3 244.313 3.095 20 30 BGEDHN CC1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192023521 387306808 /nfs/dbraw/zinc/30/68/08/387306808.db2.gz PMEIQTHNRUYQNM-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN C=CCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000192032539 357813517 /nfs/dbraw/zinc/81/35/17/357813517.db2.gz XNQSOSCWQSRGIS-UHFFFAOYSA-N 0 3 232.302 3.095 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccccc2)[C@@H]1C ZINC000192039724 398104416 /nfs/dbraw/zinc/10/44/16/398104416.db2.gz YBVPKXXAECZVRA-HUUCEWRRSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1CC#Cc1ccccc1 ZINC000192039733 398104511 /nfs/dbraw/zinc/10/45/11/398104511.db2.gz YBVPKXXAECZVRA-LSDHHAIUSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000192039761 355951188 /nfs/dbraw/zinc/95/11/88/355951188.db2.gz RTKSJHFNLQXGJV-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192039767 355950752 /nfs/dbraw/zinc/95/07/52/355950752.db2.gz RTKSJHFNLQXGJV-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@H]2CCC[C@@H]21 ZINC000192041956 398104464 /nfs/dbraw/zinc/10/44/64/398104464.db2.gz XHAXLBLQMSJCCG-SJORKVTESA-N 0 3 239.362 3.303 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000192041962 398104475 /nfs/dbraw/zinc/10/44/75/398104475.db2.gz XHAXLBLQMSJCCG-IRXDYDNUSA-N 0 3 239.362 3.303 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(CC#Cc2ccccc2)C1 ZINC000192050591 398104125 /nfs/dbraw/zinc/10/41/25/398104125.db2.gz WTVHRNCZBRUURT-HUUCEWRRSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1CC#Cc1ccccc1 ZINC000192050597 398104141 /nfs/dbraw/zinc/10/41/41/398104141.db2.gz WTVHRNCZBRUURT-LSDHHAIUSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000192050631 355950973 /nfs/dbraw/zinc/95/09/73/355950973.db2.gz GJALOLHTXDSMNQ-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000192050637 355951267 /nfs/dbraw/zinc/95/12/67/355951267.db2.gz GJALOLHTXDSMNQ-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000192050643 355951035 /nfs/dbraw/zinc/95/10/35/355951035.db2.gz GJALOLHTXDSMNQ-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000192050650 355950643 /nfs/dbraw/zinc/95/06/43/355950643.db2.gz GJALOLHTXDSMNQ-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C(#Cc1ccccc1)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000192061286 386737525 /nfs/dbraw/zinc/73/75/25/386737525.db2.gz HHCBFESHBVPGCE-CALCHBBNSA-N 0 3 239.362 3.160 20 30 BGEDHN C(#Cc1ccccc1)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000192061291 398104066 /nfs/dbraw/zinc/10/40/66/398104066.db2.gz HHCBFESHBVPGCE-IAGOWNOFSA-N 0 3 239.362 3.160 20 30 BGEDHN C(#Cc1ccccc1)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000192061298 398105092 /nfs/dbraw/zinc/10/50/92/398105092.db2.gz HHCBFESHBVPGCE-IRXDYDNUSA-N 0 3 239.362 3.160 20 30 BGEDHN C[C@H](N(C)CC#Cc1ccccc1)C1(C)CC1 ZINC000192065301 357816160 /nfs/dbraw/zinc/81/61/60/357816160.db2.gz WCLNJZBXAXBNBH-AWEZNQCLSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H](N(C)CC#Cc1ccccc1)C1(C)CC1 ZINC000192065308 357816015 /nfs/dbraw/zinc/81/60/15/357816015.db2.gz WCLNJZBXAXBNBH-CQSZACIVSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H](N(C)Cc1ccc(C#N)c(F)c1)C1(C)CC1 ZINC000192065337 355952338 /nfs/dbraw/zinc/95/23/38/355952338.db2.gz NUOTYXVSMSDBPG-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](N(C)Cc1ccc(C#N)c(F)c1)C1(C)CC1 ZINC000192065345 355952210 /nfs/dbraw/zinc/95/22/10/355952210.db2.gz NUOTYXVSMSDBPG-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192069765 357816615 /nfs/dbraw/zinc/81/66/15/357816615.db2.gz OVMRAHXXIHNKFL-PHIMTYICSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192069769 357816660 /nfs/dbraw/zinc/81/66/60/357816660.db2.gz OVMRAHXXIHNKFL-QWRGUYRKSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192069775 357816785 /nfs/dbraw/zinc/81/67/85/357816785.db2.gz OVMRAHXXIHNKFL-GHMZBOCLSA-N 0 3 232.302 3.070 20 30 BGEDHN N#Cc1ccc(CN2CCC3(CCC3)C2)cc1F ZINC000192069879 355951767 /nfs/dbraw/zinc/95/17/67/355951767.db2.gz JIKIBMVCLVGYAR-UHFFFAOYSA-N 0 3 244.313 3.073 20 30 BGEDHN CSCC[C@H](C)N(C)CC#Cc1ccccc1 ZINC000192107803 353542809 /nfs/dbraw/zinc/54/28/09/353542809.db2.gz LYXUYKMFEIFFBK-AWEZNQCLSA-N 0 3 247.407 3.112 20 30 BGEDHN CSCC[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000192107809 353542899 /nfs/dbraw/zinc/54/28/99/353542899.db2.gz LYXUYKMFEIFFBK-CQSZACIVSA-N 0 3 247.407 3.112 20 30 BGEDHN CC(C)N(CC#Cc1ccccc1)C1CCC1 ZINC000192109504 388673785 /nfs/dbraw/zinc/67/37/85/388673785.db2.gz XQXOZGKLEPMJIC-UHFFFAOYSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000192140510 388675104 /nfs/dbraw/zinc/67/51/04/388675104.db2.gz BFXUBFHIZAQQFA-CABCVRRESA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccccc2)CC[C@@H]1C ZINC000192140516 388674970 /nfs/dbraw/zinc/67/49/70/388674970.db2.gz BFXUBFHIZAQQFA-GJZGRUSLSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000192140567 355959145 /nfs/dbraw/zinc/95/91/45/355959145.db2.gz IXXDXYZBVOSNGS-NEPJUHHUSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000192140573 355959076 /nfs/dbraw/zinc/95/90/76/355959076.db2.gz IXXDXYZBVOSNGS-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN CC[C@@H](CSC)N(C)CC#Cc1ccccc1 ZINC000192145712 388675817 /nfs/dbraw/zinc/67/58/17/388675817.db2.gz IVOPPYORONKSMK-HNNXBMFYSA-N 0 3 247.407 3.112 20 30 BGEDHN CC[C@H](CSC)N(C)CC#Cc1ccccc1 ZINC000192145718 388675753 /nfs/dbraw/zinc/67/57/53/388675753.db2.gz IVOPPYORONKSMK-OAHLLOKOSA-N 0 3 247.407 3.112 20 30 BGEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192195168 357826399 /nfs/dbraw/zinc/82/63/99/357826399.db2.gz MUBVHQJAJSRLDB-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192195174 357826263 /nfs/dbraw/zinc/82/62/63/357826263.db2.gz MUBVHQJAJSRLDB-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192195443 355956046 /nfs/dbraw/zinc/95/60/46/355956046.db2.gz PFAXKJBELJJNTG-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192195446 355955840 /nfs/dbraw/zinc/95/58/40/355955840.db2.gz PFAXKJBELJJNTG-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192195451 355955968 /nfs/dbraw/zinc/95/59/68/355955968.db2.gz PFAXKJBELJJNTG-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000192195457 355955883 /nfs/dbraw/zinc/95/58/83/355955883.db2.gz PFAXKJBELJJNTG-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCN1CCc2cc(Cl)ccc2C1 ZINC000192244934 346075755 /nfs/dbraw/zinc/07/57/55/346075755.db2.gz MBESRNFVDMLUCV-UHFFFAOYSA-N 0 3 221.731 3.274 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391213 355981945 /nfs/dbraw/zinc/98/19/45/355981945.db2.gz QOPFIHMEKWQBOE-QJPTWQEYSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CC(C)(C)C[C@@H]1C ZINC000192391219 355981693 /nfs/dbraw/zinc/98/16/93/355981693.db2.gz QOPFIHMEKWQBOE-TUAOUCFPSA-N 0 3 208.349 3.093 20 30 BGEDHN COc1ccc([C@H](NCCCC#N)C2CC2)cc1 ZINC000192508740 365732635 /nfs/dbraw/zinc/73/26/35/365732635.db2.gz AWUKBRCRZAYISI-OAHLLOKOSA-N 0 3 244.338 3.040 20 30 BGEDHN COc1ccc([C@@H](NCCCC#N)C2CC2)cc1 ZINC000192508752 365732912 /nfs/dbraw/zinc/73/29/12/365732912.db2.gz AWUKBRCRZAYISI-HNNXBMFYSA-N 0 3 244.338 3.040 20 30 BGEDHN N#CCCCN[C@@H](c1ccccc1)C1CC1 ZINC000192511196 386778343 /nfs/dbraw/zinc/77/83/43/386778343.db2.gz IJCDEHMBWSAZKT-AWEZNQCLSA-N 0 3 214.312 3.031 20 30 BGEDHN N#CCCCN[C@H](c1ccccc1)C1CC1 ZINC000192511205 386779902 /nfs/dbraw/zinc/77/99/02/386779902.db2.gz IJCDEHMBWSAZKT-CQSZACIVSA-N 0 3 214.312 3.031 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192599979 388680777 /nfs/dbraw/zinc/68/07/77/388680777.db2.gz YXPJWLRWXRJCBD-LSDHHAIUSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192599992 388680601 /nfs/dbraw/zinc/68/06/01/388680601.db2.gz YXPJWLRWXRJCBD-GJZGRUSLSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192600004 259392356 /nfs/dbraw/zinc/39/23/56/259392356.db2.gz YXPJWLRWXRJCBD-HUUCEWRRSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192600014 388680755 /nfs/dbraw/zinc/68/07/55/388680755.db2.gz YXPJWLRWXRJCBD-CABCVRRESA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192629385 347379382 /nfs/dbraw/zinc/37/93/82/347379382.db2.gz LJQNKKPCPAFNBL-DZGCQCFKSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000192629401 347379926 /nfs/dbraw/zinc/37/99/26/347379926.db2.gz LJQNKKPCPAFNBL-ZFWWWQNUSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000192629417 347379882 /nfs/dbraw/zinc/37/98/82/347379882.db2.gz LJQNKKPCPAFNBL-UKRRQHHQSA-N 0 3 228.339 3.167 20 30 BGEDHN Cc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000192629430 347379565 /nfs/dbraw/zinc/37/95/65/347379565.db2.gz LJQNKKPCPAFNBL-HIFRSBDPSA-N 0 3 228.339 3.167 20 30 BGEDHN C=CCN(C)CCSCc1ccccc1 ZINC000192794730 323180236 /nfs/dbraw/zinc/18/02/36/323180236.db2.gz CHJBXJGXJILIRR-UHFFFAOYSA-N 0 3 221.369 3.038 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831337 347385305 /nfs/dbraw/zinc/38/53/05/347385305.db2.gz DXTJOTJCJANMFR-SGMGOOAPSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831353 347385361 /nfs/dbraw/zinc/38/53/61/347385361.db2.gz DXTJOTJCJANMFR-MBNYWOFBSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831365 134955522 /nfs/dbraw/zinc/95/55/22/134955522.db2.gz DXTJOTJCJANMFR-OBJOEFQTSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831376 347385365 /nfs/dbraw/zinc/38/53/65/347385365.db2.gz DXTJOTJCJANMFR-DYEKYZERSA-N 0 3 244.338 3.125 20 30 BGEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895517 347386113 /nfs/dbraw/zinc/38/61/13/347386113.db2.gz YOMZUXGGNHQGGK-CFVMTHIKSA-N 0 3 243.354 3.205 20 30 BGEDHN CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895531 347386218 /nfs/dbraw/zinc/38/62/18/347386218.db2.gz YOMZUXGGNHQGGK-NWANDNLSSA-N 0 3 243.354 3.205 20 30 BGEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895543 347385991 /nfs/dbraw/zinc/38/59/91/347385991.db2.gz YOMZUXGGNHQGGK-QEJZJMRPSA-N 0 3 243.354 3.205 20 30 BGEDHN CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895555 347386088 /nfs/dbraw/zinc/38/60/88/347386088.db2.gz YOMZUXGGNHQGGK-AEGPPILISA-N 0 3 243.354 3.205 20 30 BGEDHN C=CCN(CCSC)Cc1ccccc1 ZINC000192912722 365879111 /nfs/dbraw/zinc/87/91/11/365879111.db2.gz NKITXOZXUYJUGS-UHFFFAOYSA-N 0 3 221.369 3.038 20 30 BGEDHN C=CC1CCN(Cc2cccc(OC)c2F)CC1 ZINC000192952738 487885135 /nfs/dbraw/zinc/88/51/35/487885135.db2.gz ZUCYVSVPHXUKSR-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCCCN(C)Cc1cccc(OC)c1F ZINC000192955135 488233066 /nfs/dbraw/zinc/23/30/66/488233066.db2.gz NUACALYKJPVERD-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CCSCCN[C@@H]1CCCc2occc21 ZINC000192977068 353576577 /nfs/dbraw/zinc/57/65/77/353576577.db2.gz WDZGPIQHKGMPPA-GFCCVEGCSA-N 0 3 237.368 3.166 20 30 BGEDHN C=CCSCCN[C@H]1CCCc2occc21 ZINC000192977087 353576689 /nfs/dbraw/zinc/57/66/89/353576689.db2.gz WDZGPIQHKGMPPA-LBPRGKRZSA-N 0 3 237.368 3.166 20 30 BGEDHN N#CCCCCNCc1sccc1Cl ZINC000193084251 356690041 /nfs/dbraw/zinc/69/00/41/356690041.db2.gz DOPZLEGJLWNZBM-UHFFFAOYSA-N 0 3 228.748 3.185 20 30 BGEDHN C=CCSCCNCc1sccc1Cl ZINC000193087426 134592286 /nfs/dbraw/zinc/59/22/86/134592286.db2.gz RCGPGWIDNKAOGC-UHFFFAOYSA-N 0 3 247.816 3.410 20 30 BGEDHN C=CCSCCNCc1cc(Cl)cs1 ZINC000193087457 356691683 /nfs/dbraw/zinc/69/16/83/356691683.db2.gz WDKMCZKMOZSNDI-UHFFFAOYSA-N 0 3 247.816 3.410 20 30 BGEDHN Cc1cc(C)nc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193102845 347390573 /nfs/dbraw/zinc/39/05/73/347390573.db2.gz IUKRVILSYFMCIV-QWHCGFSZSA-N 0 3 229.327 3.193 20 30 BGEDHN Cc1cc(C)nc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193102859 347390577 /nfs/dbraw/zinc/39/05/77/347390577.db2.gz IUKRVILSYFMCIV-STQMWFEESA-N 0 3 229.327 3.193 20 30 BGEDHN Cc1cc(C)nc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000193102868 347390366 /nfs/dbraw/zinc/39/03/66/347390366.db2.gz IUKRVILSYFMCIV-CHWSQXEVSA-N 0 3 229.327 3.193 20 30 BGEDHN Cc1cc(C)nc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000193102882 134957170 /nfs/dbraw/zinc/95/71/70/134957170.db2.gz IUKRVILSYFMCIV-OLZOCXBDSA-N 0 3 229.327 3.193 20 30 BGEDHN C=C(C)CN1CCC(OCCC(C)C)CC1 ZINC000193107639 388693181 /nfs/dbraw/zinc/69/31/81/388693181.db2.gz FSLYSXQLJJWIHM-UHFFFAOYSA-N 0 3 225.376 3.090 20 30 BGEDHN C=CC[C@H](C)NCc1sccc1Cl ZINC000193111428 534352287 /nfs/dbraw/zinc/35/22/87/534352287.db2.gz OWZFKVSKVMHXRB-QMMMGPOBSA-N 0 3 215.749 3.456 20 30 BGEDHN C=CC[C@@H](C)NCc1sccc1Cl ZINC000193111440 356701387 /nfs/dbraw/zinc/70/13/87/356701387.db2.gz OWZFKVSKVMHXRB-MRVPVSSYSA-N 0 3 215.749 3.456 20 30 BGEDHN C#CCCCCNCc1sccc1Cl ZINC000193149247 356729200 /nfs/dbraw/zinc/72/92/00/356729200.db2.gz IBPGMJXYSYEVCJ-UHFFFAOYSA-N 0 3 227.760 3.295 20 30 BGEDHN C=C(C)COCCNCc1sccc1Cl ZINC000193152661 411300111 /nfs/dbraw/zinc/30/01/11/411300111.db2.gz GFNQXOMTJLMCBZ-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCCOCCNCc1sccc1Cl ZINC000193185033 356895671 /nfs/dbraw/zinc/89/56/71/356895671.db2.gz TUBYBFJLXDHBBR-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCCOCCNCc1cc(Cl)cs1 ZINC000193185066 387166696 /nfs/dbraw/zinc/16/66/96/387166696.db2.gz LUOLVLBJXYPVGM-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCCCCCN1CCN(CC(C)C)CC1 ZINC000193289390 388699425 /nfs/dbraw/zinc/69/94/25/388699425.db2.gz YAMSRSKVXNWDEC-UHFFFAOYSA-N 0 3 238.419 3.006 20 30 BGEDHN C=CCCCCCN(CCC#N)CC1CC1 ZINC000193368820 259393813 /nfs/dbraw/zinc/39/38/13/259393813.db2.gz KYWSKAKQIIFITJ-UHFFFAOYSA-N 0 3 220.360 3.358 20 30 BGEDHN C=CCCCCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000193462802 353594759 /nfs/dbraw/zinc/59/47/59/353594759.db2.gz IFDLBYDGWQLBAE-CYBMUJFWSA-N 0 3 248.374 3.078 20 30 BGEDHN C=CCCCCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000193462819 353594427 /nfs/dbraw/zinc/59/44/27/353594427.db2.gz IFDLBYDGWQLBAE-ZDUSSCGKSA-N 0 3 248.374 3.078 20 30 BGEDHN C=CCCCCCN[C@@H](COC)c1ccco1 ZINC000193547623 353592669 /nfs/dbraw/zinc/59/26/69/353592669.db2.gz WLIGQCBFGLGETO-ZDUSSCGKSA-N 0 3 237.343 3.303 20 30 BGEDHN C=CCCCCCN[C@H](COC)c1ccco1 ZINC000193547635 347398960 /nfs/dbraw/zinc/39/89/60/347398960.db2.gz WLIGQCBFGLGETO-CYBMUJFWSA-N 0 3 237.343 3.303 20 30 BGEDHN C=CCCCCCN[C@@H](CCO)c1ccco1 ZINC000193560255 384992906 /nfs/dbraw/zinc/99/29/06/384992906.db2.gz SEDLAMMYTBNZFE-ZDUSSCGKSA-N 0 3 237.343 3.039 20 30 BGEDHN C=CCCCCCN[C@H](CCO)c1ccco1 ZINC000193560266 259394723 /nfs/dbraw/zinc/39/47/23/259394723.db2.gz SEDLAMMYTBNZFE-CYBMUJFWSA-N 0 3 237.343 3.039 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(C)c(OC)c1 ZINC000193593965 387797536 /nfs/dbraw/zinc/79/75/36/387797536.db2.gz DHOMFNBNOGHFMS-UHFFFAOYSA-N 0 3 231.339 3.178 20 30 BGEDHN CN(CCSCCCC#N)Cc1ccccc1 ZINC000193614767 385404510 /nfs/dbraw/zinc/40/45/10/385404510.db2.gz UNVVQYHEMULKON-UHFFFAOYSA-N 0 3 248.395 3.155 20 30 BGEDHN C=CCCSCCN(C)Cc1ccccc1 ZINC000193616701 386564148 /nfs/dbraw/zinc/56/41/48/386564148.db2.gz JCEKYWHBBVPELA-UHFFFAOYSA-N 0 3 235.396 3.428 20 30 BGEDHN C=CCSCCN(C)Cc1ccccc1 ZINC000193619604 387797434 /nfs/dbraw/zinc/79/74/34/387797434.db2.gz NXHFACISDKNQQX-UHFFFAOYSA-N 0 3 221.369 3.038 20 30 BGEDHN CC[C@@H](C#N)SCCN(C)Cc1ccccc1 ZINC000193620493 385403992 /nfs/dbraw/zinc/40/39/92/385403992.db2.gz IRPQEFYJMOGXRI-AWEZNQCLSA-N 0 3 248.395 3.154 20 30 BGEDHN CC[C@H](C#N)SCCN(C)Cc1ccccc1 ZINC000193620510 385404710 /nfs/dbraw/zinc/40/47/10/385404710.db2.gz IRPQEFYJMOGXRI-CQSZACIVSA-N 0 3 248.395 3.154 20 30 BGEDHN CC#CCCSCCN(C)Cc1ccccc1 ZINC000193625964 387798574 /nfs/dbraw/zinc/79/85/74/387798574.db2.gz RWQAYEUVBCZZKN-UHFFFAOYSA-N 0 3 247.407 3.265 20 30 BGEDHN C=C(C)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193661912 387800690 /nfs/dbraw/zinc/80/06/90/387800690.db2.gz WOZFBPKCEQOZEL-ZDUSSCGKSA-N 0 3 239.746 3.193 20 30 BGEDHN C=C(C)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000193661928 387799563 /nfs/dbraw/zinc/79/95/63/387799563.db2.gz WOZFBPKCEQOZEL-CYBMUJFWSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCN(C)Cc1cccc(Br)c1 ZINC000193706437 387801366 /nfs/dbraw/zinc/80/13/66/387801366.db2.gz ASEATBVSHSGUSS-UHFFFAOYSA-N 0 3 240.144 3.067 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC000193723914 636054433 /nfs/dbraw/zinc/05/44/33/636054433.db2.gz OFYOEJDXBJZETJ-INIZCTEOSA-N 0 3 243.350 3.367 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@H]1CCC=CO1 ZINC000193723926 644274160 /nfs/dbraw/zinc/27/41/60/644274160.db2.gz OFYOEJDXBJZETJ-MRXNPFEDSA-N 0 3 243.350 3.367 20 30 BGEDHN CCN(CCSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726333 387801450 /nfs/dbraw/zinc/80/14/50/387801450.db2.gz ZQEULEWOMSYXGG-LBPRGKRZSA-N 0 3 248.395 3.304 20 30 BGEDHN CCN(CCSC)[C@H](C)c1ccc(C#N)cc1 ZINC000193726347 388418548 /nfs/dbraw/zinc/41/85/48/388418548.db2.gz ZQEULEWOMSYXGG-GFCCVEGCSA-N 0 3 248.395 3.304 20 30 BGEDHN C=C(C)CNCc1ccc(C)c(Cl)c1 ZINC000193737888 206022689 /nfs/dbraw/zinc/02/26/89/206022689.db2.gz VOURRCQMCXUHAT-UHFFFAOYSA-N 0 3 209.720 3.314 20 30 BGEDHN C=CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759005 388714789 /nfs/dbraw/zinc/71/47/89/388714789.db2.gz BIYOZPNNPHMBFU-LBPRGKRZSA-N 0 3 214.312 3.127 20 30 BGEDHN C[C@@H](CCN1CCC(C#N)CC1)c1ccccc1 ZINC000193822305 387809104 /nfs/dbraw/zinc/80/91/04/387809104.db2.gz OHCSTSJKSUUCDJ-AWEZNQCLSA-N 0 3 242.366 3.416 20 30 BGEDHN C[C@H](CCN1CCC(C#N)CC1)c1ccccc1 ZINC000193822331 387809288 /nfs/dbraw/zinc/80/92/88/387809288.db2.gz OHCSTSJKSUUCDJ-CQSZACIVSA-N 0 3 242.366 3.416 20 30 BGEDHN C=CCCCCCN(C)Cc1cnn(C=C)c1 ZINC000193977133 353607415 /nfs/dbraw/zinc/60/74/15/353607415.db2.gz XHTNSYHYLHXYPW-UHFFFAOYSA-N 0 3 233.359 3.162 20 30 BGEDHN CCN(Cc1cn2ccccc2c1C#N)C(C)C ZINC000194095477 388478598 /nfs/dbraw/zinc/47/85/98/388478598.db2.gz ZKMTWEYLAHBYFK-UHFFFAOYSA-N 0 3 241.338 3.041 20 30 BGEDHN C=CC[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194319536 206088881 /nfs/dbraw/zinc/08/88/81/206088881.db2.gz OIQGMZBCXSQKDA-LBPRGKRZSA-N 0 3 241.338 3.131 20 30 BGEDHN C=CC[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194319551 206088034 /nfs/dbraw/zinc/08/80/34/206088034.db2.gz OIQGMZBCXSQKDA-GFCCVEGCSA-N 0 3 241.338 3.131 20 30 BGEDHN C=CCCCCCN[C@@H](C)c1ccccn1 ZINC000194358861 353646262 /nfs/dbraw/zinc/64/62/62/353646262.db2.gz XWZHEVYMJSRSNY-ZDUSSCGKSA-N 0 3 218.344 3.479 20 30 BGEDHN C=CCCCCCN[C@H](C)c1ccccn1 ZINC000194358873 353646437 /nfs/dbraw/zinc/64/64/37/353646437.db2.gz XWZHEVYMJSRSNY-CYBMUJFWSA-N 0 3 218.344 3.479 20 30 BGEDHN C=CCCCCCN(CC)C[C@@H](C)C#N ZINC000194359109 206086877 /nfs/dbraw/zinc/08/68/77/206086877.db2.gz XRWKXYCDONCMOS-ZDUSSCGKSA-N 0 3 208.349 3.214 20 30 BGEDHN C=CCCCCCN(CC)C[C@H](C)C#N ZINC000194359123 206088478 /nfs/dbraw/zinc/08/84/78/206088478.db2.gz XRWKXYCDONCMOS-CYBMUJFWSA-N 0 3 208.349 3.214 20 30 BGEDHN C=CCN(CCSC)Cc1cccs1 ZINC000194704654 367319432 /nfs/dbraw/zinc/31/94/32/367319432.db2.gz UDJWHZPKLKADSH-UHFFFAOYSA-N 0 3 227.398 3.099 20 30 BGEDHN C=CCN(C)Cc1ccc(C)c(Cl)c1 ZINC000194755667 347576440 /nfs/dbraw/zinc/57/64/40/347576440.db2.gz CSEQTYFXYHKKCI-UHFFFAOYSA-N 0 3 209.720 3.266 20 30 BGEDHN C=CCN1CCC(c2cccc(OC)c2)CC1 ZINC000194876480 387898051 /nfs/dbraw/zinc/89/80/51/387898051.db2.gz KZZVGWCBAHKEPA-UHFFFAOYSA-N 0 3 231.339 3.061 20 30 BGEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000194905251 136276019 /nfs/dbraw/zinc/27/60/19/136276019.db2.gz DXTJOTJCJANMFR-YRGRVCCFSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000194905270 136276095 /nfs/dbraw/zinc/27/60/95/136276095.db2.gz DXTJOTJCJANMFR-BZPMIXESSA-N 0 3 244.338 3.125 20 30 BGEDHN C=C(Cl)CN1CCC[C@]1(CCC)COC ZINC000194946775 636061218 /nfs/dbraw/zinc/06/12/18/636061218.db2.gz WRFTZQTXYNVACD-GFCCVEGCSA-N 0 3 231.767 3.020 20 30 BGEDHN C=C(Cl)CN1CCC[C@@]1(CCC)COC ZINC000194946788 644351798 /nfs/dbraw/zinc/35/17/98/644351798.db2.gz WRFTZQTXYNVACD-LBPRGKRZSA-N 0 3 231.767 3.020 20 30 BGEDHN CC(C)=CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194962971 367325997 /nfs/dbraw/zinc/32/59/97/367325997.db2.gz SNEDERNTRNTUPW-UHFFFAOYSA-N 0 3 240.350 3.489 20 30 BGEDHN C=C(C)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194963568 367326850 /nfs/dbraw/zinc/32/68/50/367326850.db2.gz SKAQZPXDFGLLRG-UHFFFAOYSA-N 0 3 226.323 3.099 20 30 BGEDHN C=CCN[C@@H](C)c1ccccc1SC ZINC000194966573 353709112 /nfs/dbraw/zinc/70/91/12/353709112.db2.gz KQMRNWVNIISZBU-JTQLQIEISA-N 0 3 207.342 3.245 20 30 BGEDHN C=CCN[C@H](C)c1ccccc1SC ZINC000194966586 136265688 /nfs/dbraw/zinc/26/56/88/136265688.db2.gz KQMRNWVNIISZBU-SNVBAGLBSA-N 0 3 207.342 3.245 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000194972943 388458652 /nfs/dbraw/zinc/45/86/52/388458652.db2.gz ARVNUBURQUBZKV-LBPRGKRZSA-N 0 3 214.312 3.127 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000194972955 388458435 /nfs/dbraw/zinc/45/84/35/388458435.db2.gz ARVNUBURQUBZKV-GFCCVEGCSA-N 0 3 214.312 3.127 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1cccc(OC)c1 ZINC000194983913 398129300 /nfs/dbraw/zinc/12/93/00/398129300.db2.gz JWZBANDZWRSTSG-LBPRGKRZSA-N 0 3 219.328 3.264 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1cccc(OC)c1 ZINC000194983928 398129688 /nfs/dbraw/zinc/12/96/88/398129688.db2.gz JWZBANDZWRSTSG-GFCCVEGCSA-N 0 3 219.328 3.264 20 30 BGEDHN C=CCN(C)[C@@H](CC)c1ccc(F)cc1 ZINC000194985251 367328622 /nfs/dbraw/zinc/32/86/22/367328622.db2.gz ICRAKOUHWQSPSK-ZDUSSCGKSA-N 0 3 207.292 3.395 20 30 BGEDHN C=CCN(C)[C@H](CC)c1ccc(F)cc1 ZINC000194985264 367327863 /nfs/dbraw/zinc/32/78/63/367327863.db2.gz ICRAKOUHWQSPSK-CYBMUJFWSA-N 0 3 207.292 3.395 20 30 BGEDHN C=C(C)CN(C)[C@@H](C)c1cccc(F)c1 ZINC000194987142 388458587 /nfs/dbraw/zinc/45/85/87/388458587.db2.gz HMYZLWJHRLXPKV-NSHDSACASA-N 0 3 207.292 3.395 20 30 BGEDHN C=C(C)CN(C)[C@H](C)c1cccc(F)c1 ZINC000194987155 388458731 /nfs/dbraw/zinc/45/87/31/388458731.db2.gz HMYZLWJHRLXPKV-LLVKDONJSA-N 0 3 207.292 3.395 20 30 BGEDHN C#CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991877 634414837 /nfs/dbraw/zinc/41/48/37/634414837.db2.gz KTYBURHNENASAY-JTQLQIEISA-N 0 3 241.256 3.331 20 30 BGEDHN C#CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991893 644355711 /nfs/dbraw/zinc/35/57/11/644355711.db2.gz KTYBURHNENASAY-SNVBAGLBSA-N 0 3 241.256 3.331 20 30 BGEDHN C=CCN(CCOC)[C@@H](CC)c1ccccc1 ZINC000195000411 367330768 /nfs/dbraw/zinc/33/07/68/367330768.db2.gz VEHQMVGSHXIEML-HNNXBMFYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=CCN(CCOC)[C@H](CC)c1ccccc1 ZINC000195000424 367330385 /nfs/dbraw/zinc/33/03/85/367330385.db2.gz VEHQMVGSHXIEML-OAHLLOKOSA-N 0 3 233.355 3.272 20 30 BGEDHN C=CCN(CCOC)[C@H](C)c1ccccc1C ZINC000195002507 350105667 /nfs/dbraw/zinc/10/56/67/350105667.db2.gz UWYCFQPEHXXLMR-CQSZACIVSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(CCOC)[C@@H](C)c1ccccc1C ZINC000195002518 350105475 /nfs/dbraw/zinc/10/54/75/350105475.db2.gz UWYCFQPEHXXLMR-AWEZNQCLSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(CCOC)[C@@H](C)c1cccc(F)c1 ZINC000195002758 367330537 /nfs/dbraw/zinc/33/05/37/367330537.db2.gz OFFRDVPHBZPIRP-LBPRGKRZSA-N 0 3 237.318 3.021 20 30 BGEDHN C=CCN(CCOC)[C@H](C)c1cccc(F)c1 ZINC000195002768 367330591 /nfs/dbraw/zinc/33/05/91/367330591.db2.gz OFFRDVPHBZPIRP-GFCCVEGCSA-N 0 3 237.318 3.021 20 30 BGEDHN C=CCN(CCOC)[C@@H]1CCCc2ccccc21 ZINC000195002849 367329459 /nfs/dbraw/zinc/32/94/59/367329459.db2.gz WXIMOQUNZJZTEB-MRXNPFEDSA-N 0 3 245.366 3.198 20 30 BGEDHN C=CCN(CCOC)[C@H]1CCCc2ccccc21 ZINC000195002865 367330489 /nfs/dbraw/zinc/33/04/89/367330489.db2.gz WXIMOQUNZJZTEB-INIZCTEOSA-N 0 3 245.366 3.198 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)[C@H](C)CC ZINC000195003926 367329621 /nfs/dbraw/zinc/32/96/21/367329621.db2.gz WRPZMTBMPIWUOR-CYBMUJFWSA-N 0 3 228.339 3.345 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)CC ZINC000195003939 367329638 /nfs/dbraw/zinc/32/96/38/367329638.db2.gz WRPZMTBMPIWUOR-ZDUSSCGKSA-N 0 3 228.339 3.345 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000195026509 134961704 /nfs/dbraw/zinc/96/17/04/134961704.db2.gz DXTJOTJCJANMFR-OUCADQQQSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000195026525 347440027 /nfs/dbraw/zinc/44/00/27/347440027.db2.gz DXTJOTJCJANMFR-SCRDCRAPSA-N 0 3 244.338 3.125 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)o1)CC1CCC1 ZINC000195077806 188353572 /nfs/dbraw/zinc/35/35/72/188353572.db2.gz RTGKHOHQTKPQIR-UHFFFAOYSA-N 0 3 232.327 3.162 20 30 BGEDHN Cc1cc(CN2CCC(C#N)CC2)c(C)s1 ZINC000195309097 388704340 /nfs/dbraw/zinc/70/43/40/388704340.db2.gz BLCUODKWFQXKID-UHFFFAOYSA-N 0 3 234.368 3.101 20 30 BGEDHN CCCc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000195309158 388704284 /nfs/dbraw/zinc/70/42/84/388704284.db2.gz NXAXUYIYUXTPTC-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN C=CCN(CCSC)CCc1ccccc1 ZINC000195355717 367356780 /nfs/dbraw/zinc/35/67/80/367356780.db2.gz YHTPNTKSJWXRBL-UHFFFAOYSA-N 0 3 235.396 3.080 20 30 BGEDHN CCN(C[C@@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434987 388708077 /nfs/dbraw/zinc/70/80/77/388708077.db2.gz SZYOJRGUOUEFMI-GJZGRUSLSA-N 0 3 244.382 3.489 20 30 BGEDHN CCN(C[C@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434994 388708572 /nfs/dbraw/zinc/70/85/72/388708572.db2.gz SZYOJRGUOUEFMI-CABCVRRESA-N 0 3 244.382 3.489 20 30 BGEDHN C#CCN(Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000195733037 644398116 /nfs/dbraw/zinc/39/81/16/644398116.db2.gz XCVWCNUQUVOWEN-UHFFFAOYSA-N 0 3 249.304 3.343 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC000196049284 353857938 /nfs/dbraw/zinc/85/79/38/353857938.db2.gz PEFUNUIOPHHPMR-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC000196049295 363224516 /nfs/dbraw/zinc/22/45/16/363224516.db2.gz PEFUNUIOPHHPMR-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN CC(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000200983207 385587700 /nfs/dbraw/zinc/58/77/00/385587700.db2.gz AHPLKTVKIIEZNF-UHFFFAOYSA-N 0 3 242.366 3.426 20 30 BGEDHN C=CCN(CC=C)[C@@H]1CCc2ccccc21 ZINC000204202628 369532634 /nfs/dbraw/zinc/53/26/34/369532634.db2.gz XBLKYGWJONHUIB-OAHLLOKOSA-N 0 3 213.324 3.348 20 30 BGEDHN C=CCN(CC=C)[C@H]1CCc2ccccc21 ZINC000204202645 369532212 /nfs/dbraw/zinc/53/22/12/369532212.db2.gz XBLKYGWJONHUIB-HNNXBMFYSA-N 0 3 213.324 3.348 20 30 BGEDHN CC(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000205549188 384781496 /nfs/dbraw/zinc/78/14/96/384781496.db2.gz NXGMIOLKNIXTCV-UHFFFAOYSA-N 0 3 242.366 3.426 20 30 BGEDHN C=CCN(CC=C)Cc1cc(C)c(O)c(C)c1 ZINC000205664438 355685412 /nfs/dbraw/zinc/68/54/12/355685412.db2.gz TWGYGSYTPJQMAT-UHFFFAOYSA-N 0 3 231.339 3.183 20 30 BGEDHN CCCCCCCN(C)Cc1ccccn1 ZINC000207071361 634566814 /nfs/dbraw/zinc/56/68/14/634566814.db2.gz NLYCIUJOMGCMDD-UHFFFAOYSA-N 0 3 220.360 3.484 20 30 BGEDHN N#Cc1cccc(CNC/C=C\c2ccccc2)c1 ZINC000210539895 385688922 /nfs/dbraw/zinc/68/89/22/385688922.db2.gz RTDFFRJXXLSWFO-YHYXMXQVSA-N 0 3 248.329 3.361 20 30 BGEDHN CCCCCCC[C@@H](C)NCc1ccn(C)n1 ZINC000213194505 591454203 /nfs/dbraw/zinc/45/42/03/591454203.db2.gz SOSZXRYRDDODNU-CYBMUJFWSA-N 0 3 237.391 3.259 20 30 BGEDHN CCCCCCC[C@H](C)NCc1ccn(C)n1 ZINC000213194563 591454395 /nfs/dbraw/zinc/45/43/95/591454395.db2.gz SOSZXRYRDDODNU-ZDUSSCGKSA-N 0 3 237.391 3.259 20 30 BGEDHN CCC[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000213449559 363013690 /nfs/dbraw/zinc/01/36/90/363013690.db2.gz BINRKXZENLASMQ-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN CCC[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000213449612 363013746 /nfs/dbraw/zinc/01/37/46/363013746.db2.gz BINRKXZENLASMQ-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CC#CCN(C)Cc1cccc2ccccc21 ZINC000215395329 411267329 /nfs/dbraw/zinc/26/73/29/411267329.db2.gz NSGOLHRLUYIEFV-UHFFFAOYSA-N 0 3 223.319 3.295 20 30 BGEDHN C=C(C)CN(CC)Cc1ccccc1OCC ZINC000215895732 384689127 /nfs/dbraw/zinc/68/91/27/384689127.db2.gz UBXCWAODQWFSPN-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN CC(C)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000218976340 386782967 /nfs/dbraw/zinc/78/29/67/386782967.db2.gz IUPMFUSAJVIEIZ-UHFFFAOYSA-N 0 3 248.345 3.469 20 30 BGEDHN CC(C)CCN(CCC(C)C)C(=O)C(C)C#N ZINC000219144316 388588805 /nfs/dbraw/zinc/58/88/05/388588805.db2.gz ALDJBBQQEDYMNR-ZDUSSCGKSA-N 0 3 238.375 3.067 20 30 BGEDHN CC(C)CCN(CCC(C)C)C(=O)C(C)C#N ZINC000219144396 388588878 /nfs/dbraw/zinc/58/88/78/388588878.db2.gz ALDJBBQQEDYMNR-CYBMUJFWSA-N 0 3 238.375 3.067 20 30 BGEDHN C=CCSCCN[C@@H](C)c1cc(C)oc1C ZINC000219283847 134278497 /nfs/dbraw/zinc/27/84/97/134278497.db2.gz GTOYKAGQOLYNJT-NSHDSACASA-N 0 3 239.384 3.466 20 30 BGEDHN C=CCSCCN[C@H](C)c1cc(C)oc1C ZINC000219283881 134276936 /nfs/dbraw/zinc/27/69/36/134276936.db2.gz GTOYKAGQOLYNJT-LLVKDONJSA-N 0 3 239.384 3.466 20 30 BGEDHN C=CCCOCCN[C@@H](C)c1cc(C)oc1C ZINC000219290877 166270411 /nfs/dbraw/zinc/27/04/11/166270411.db2.gz HCKXGIXDQWBGJU-LBPRGKRZSA-N 0 3 237.343 3.140 20 30 BGEDHN C=CCCOCCN[C@H](C)c1cc(C)oc1C ZINC000219290906 166271382 /nfs/dbraw/zinc/27/13/82/166271382.db2.gz HCKXGIXDQWBGJU-GFCCVEGCSA-N 0 3 237.343 3.140 20 30 BGEDHN CCCCN(CC)Cc1cccc(C#N)c1F ZINC000219509067 350129334 /nfs/dbraw/zinc/12/93/34/350129334.db2.gz AJCQSCPJMXCMKE-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCCN(Cc1cccc(C#N)c1F)CC1CC1 ZINC000219509159 134285194 /nfs/dbraw/zinc/28/51/94/134285194.db2.gz XFMZWLRIFBZSBE-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000219510416 134285030 /nfs/dbraw/zinc/28/50/30/134285030.db2.gz REYBQDAJYYBUPU-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000219510485 134285067 /nfs/dbraw/zinc/28/50/67/134285067.db2.gz REYBQDAJYYBUPU-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000219511707 134285318 /nfs/dbraw/zinc/28/53/18/134285318.db2.gz ROUIWYQZBWNJGL-CQSZACIVSA-N 0 3 246.329 3.462 20 30 BGEDHN CC[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000219511789 342874229 /nfs/dbraw/zinc/87/42/29/342874229.db2.gz ROUIWYQZBWNJGL-AWEZNQCLSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000219511859 350129722 /nfs/dbraw/zinc/12/97/22/350129722.db2.gz PAQSHKNHLUKPBB-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(Cc2cccc(C#N)c2F)C1 ZINC000219512363 134285403 /nfs/dbraw/zinc/28/54/03/134285403.db2.gz WIALIRLKDPRSIU-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(Cc2cccc(C#N)c2F)C1 ZINC000219512429 350129621 /nfs/dbraw/zinc/12/96/21/350129621.db2.gz WIALIRLKDPRSIU-TXEJJXNPSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1C[C@H](C)CN(Cc2cccc(C#N)c2F)C1 ZINC000219512506 342874378 /nfs/dbraw/zinc/87/43/78/342874378.db2.gz WIALIRLKDPRSIU-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN CCCN(CCC)Cc1cccc(C#N)c1F ZINC000219515734 134285355 /nfs/dbraw/zinc/28/53/55/134285355.db2.gz MYCMHTSEDSAAHK-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCN(Cc1cccc(C#N)c1F)C1CCCC1 ZINC000219516337 134284973 /nfs/dbraw/zinc/28/49/73/134284973.db2.gz QBDQVORRMUDEHH-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000219522291 134285381 /nfs/dbraw/zinc/28/53/81/134285381.db2.gz PVVKFPRMADMXPA-VXGBXAGGSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000219522363 134285218 /nfs/dbraw/zinc/28/52/18/134285218.db2.gz PVVKFPRMADMXPA-TXEJJXNPSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000219522438 134285311 /nfs/dbraw/zinc/28/53/11/134285311.db2.gz PVVKFPRMADMXPA-RYUDHWBXSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H](CC#N)NC1C[C@H](C)C[C@@H](C)C1 ZINC000219625801 536055570 /nfs/dbraw/zinc/05/55/70/536055570.db2.gz IKCPJMKFNIGQCG-IJLUTSLNSA-N 0 3 208.349 3.093 20 30 BGEDHN N#Cc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000220553120 385228985 /nfs/dbraw/zinc/22/89/85/385228985.db2.gz ZJQPNINDQQTDMM-DAXSKMNVSA-N 0 3 248.329 3.361 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220677733 388606143 /nfs/dbraw/zinc/60/61/43/388606143.db2.gz KOAKLAUXZVAUJZ-YVECIDJPSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000221410208 134324134 /nfs/dbraw/zinc/32/41/34/134324134.db2.gz WZZXHWZDLZEKKX-BXUZGUMPSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000221410263 536093215 /nfs/dbraw/zinc/09/32/15/536093215.db2.gz WZZXHWZDLZEKKX-RISCZKNCSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000221410321 134324466 /nfs/dbraw/zinc/32/44/66/134324466.db2.gz WZZXHWZDLZEKKX-SMDDNHRTSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000221410373 134324095 /nfs/dbraw/zinc/32/40/95/134324095.db2.gz WZZXHWZDLZEKKX-FZMZJTMJSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221897210 134328286 /nfs/dbraw/zinc/32/82/86/134328286.db2.gz OMRMZBXWTXFXMN-YVECIDJPSA-N 0 3 208.349 3.093 20 30 BGEDHN C[C@H](NCc1cccc(C#N)c1F)C1CCCC1 ZINC000221956354 134326899 /nfs/dbraw/zinc/32/68/99/134326899.db2.gz ULHCABBHQOFSKC-NSHDSACASA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H](NCc1cccc(C#N)c1F)C1CCCC1 ZINC000221956403 134326607 /nfs/dbraw/zinc/32/66/07/134326607.db2.gz ULHCABBHQOFSKC-LLVKDONJSA-N 0 3 246.329 3.366 20 30 BGEDHN CCCN(Cc1cccc(C#N)c1F)C(C)C ZINC000221980684 349901291 /nfs/dbraw/zinc/90/12/91/349901291.db2.gz IDJPPESNTARLEC-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1cccc(C#N)c1F ZINC000221980769 349902775 /nfs/dbraw/zinc/90/27/75/349902775.db2.gz ZJTKRGFDSQGDLZ-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@H](C)N(CC)Cc1cccc(C#N)c1F ZINC000221980839 349902832 /nfs/dbraw/zinc/90/28/32/349902832.db2.gz ZJTKRGFDSQGDLZ-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN C=CCSCCNCc1cc2ccccc2o1 ZINC000222060015 385050488 /nfs/dbraw/zinc/05/04/88/385050488.db2.gz WEHMAOPKDKXQRB-UHFFFAOYSA-N 0 3 247.363 3.442 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000222061169 134329322 /nfs/dbraw/zinc/32/93/22/134329322.db2.gz UJPZTODMEBPIMH-WUHRBBMRSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445794 134332152 /nfs/dbraw/zinc/33/21/52/134332152.db2.gz GDIIFQLTBOOKJN-GMTAPVOTSA-N 0 3 248.292 3.389 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445910 134332019 /nfs/dbraw/zinc/33/20/19/134332019.db2.gz GDIIFQLTBOOKJN-MXWKQRLJSA-N 0 3 248.292 3.389 20 30 BGEDHN CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000223472242 343121000 /nfs/dbraw/zinc/12/10/00/343121000.db2.gz CZCACHDSKMXQTL-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN N#Cc1cccc(CN2CCCCCCC2)c1F ZINC000223516589 592533643 /nfs/dbraw/zinc/53/36/43/592533643.db2.gz GEKFRPJRJQNNCR-UHFFFAOYSA-N 0 3 246.329 3.463 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)C1CCCC1 ZINC000223517845 134340778 /nfs/dbraw/zinc/34/07/78/134340778.db2.gz WJHALKQOCGMLIO-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000223518005 535161344 /nfs/dbraw/zinc/16/13/44/535161344.db2.gz FWCCDFDKWQOWOO-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000223518071 134340361 /nfs/dbraw/zinc/34/03/61/134340361.db2.gz FWCCDFDKWQOWOO-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000223520227 134340714 /nfs/dbraw/zinc/34/07/14/134340714.db2.gz MXICBKPTZDUWMD-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CCC[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000223520289 535632019 /nfs/dbraw/zinc/63/20/19/535632019.db2.gz MXICBKPTZDUWMD-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN CC(C)CN(Cc1cccc(C#N)c1F)C1CC1 ZINC000223520496 535056003 /nfs/dbraw/zinc/05/60/03/535056003.db2.gz ARDMYDOUOGZREZ-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN CCN(Cc1cccc(C#N)c1F)CC(C)C ZINC000223520755 134340557 /nfs/dbraw/zinc/34/05/57/134340557.db2.gz MDUOSSGYVXGHKO-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CCCCN(Cc1cccc(C#N)c1F)C1CC1 ZINC000223521214 134340287 /nfs/dbraw/zinc/34/02/87/134340287.db2.gz MONAFABENZDRLX-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC(C)CCN(C)Cc1cccc(C#N)c1F ZINC000223524120 356667774 /nfs/dbraw/zinc/66/77/74/356667774.db2.gz VOLRFDBFGWYGMB-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223526097 134340791 /nfs/dbraw/zinc/34/07/91/134340791.db2.gz LCWKYKOTEBUYTG-AWEZNQCLSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223526157 535183554 /nfs/dbraw/zinc/18/35/54/535183554.db2.gz LCWKYKOTEBUYTG-CQSZACIVSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000223527067 134340353 /nfs/dbraw/zinc/34/03/53/134340353.db2.gz MSXFGMYATDWOGO-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000223527124 134340799 /nfs/dbraw/zinc/34/07/99/134340799.db2.gz MSXFGMYATDWOGO-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)CC1CCCC1 ZINC000223527502 134340757 /nfs/dbraw/zinc/34/07/57/134340757.db2.gz ZILLFTWVUCMXFF-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)CC(C)(C)C ZINC000223529478 356667091 /nfs/dbraw/zinc/66/70/91/356667091.db2.gz IEISGTOKPVTECT-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223530108 535820633 /nfs/dbraw/zinc/82/06/33/535820633.db2.gz NGONRFHSHIYPOO-CYBMUJFWSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223530169 536071678 /nfs/dbraw/zinc/07/16/78/536071678.db2.gz NGONRFHSHIYPOO-ZDUSSCGKSA-N 0 3 232.302 3.072 20 30 BGEDHN CC1(C)CCCN1Cc1cccc(C#N)c1F ZINC000223531425 134340461 /nfs/dbraw/zinc/34/04/61/134340461.db2.gz WWOJWJLEFQRNPD-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@@H](C)CN(C)Cc1cccc(C#N)c1F ZINC000223538876 535493897 /nfs/dbraw/zinc/49/38/97/535493897.db2.gz GOOJEMTXPUEBEZ-LLVKDONJSA-N 0 3 234.318 3.175 20 30 BGEDHN CC[C@H](C)CN(C)Cc1cccc(C#N)c1F ZINC000223538931 134340260 /nfs/dbraw/zinc/34/02/60/134340260.db2.gz GOOJEMTXPUEBEZ-NSHDSACASA-N 0 3 234.318 3.175 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000223541397 134340802 /nfs/dbraw/zinc/34/08/02/134340802.db2.gz OTCMRQGTRHXXQC-GFCCVEGCSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CCCCCN1Cc1cccc(C#N)c1F ZINC000223541449 134340560 /nfs/dbraw/zinc/34/05/60/134340560.db2.gz OTCMRQGTRHXXQC-LBPRGKRZSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@@H]1C ZINC000223546367 134340566 /nfs/dbraw/zinc/34/05/66/134340566.db2.gz QQGWPMRJTAOERS-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(C#N)c1F ZINC000223546419 134340380 /nfs/dbraw/zinc/34/03/80/134340380.db2.gz QQGWPMRJTAOERS-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000223552614 134340388 /nfs/dbraw/zinc/34/03/88/134340388.db2.gz TYOLFDHNKQPAMQ-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1cccc(C#N)c1F ZINC000223552673 134340621 /nfs/dbraw/zinc/34/06/21/134340621.db2.gz TYOLFDHNKQPAMQ-NWDGAFQWSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000223552733 134340675 /nfs/dbraw/zinc/34/06/75/134340675.db2.gz TYOLFDHNKQPAMQ-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2cccc(C#N)c2F)C1 ZINC000223552803 134340246 /nfs/dbraw/zinc/34/02/46/134340246.db2.gz TYOLFDHNKQPAMQ-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000223557181 387119413 /nfs/dbraw/zinc/11/94/13/387119413.db2.gz AIDQRZSCJKYZTE-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000223557237 259567137 /nfs/dbraw/zinc/56/71/37/259567137.db2.gz AIDQRZSCJKYZTE-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)N(Cc1cccc(C#N)c1F)CC1CC1 ZINC000223561136 356799486 /nfs/dbraw/zinc/79/94/86/356799486.db2.gz XYNMVPFMZBCMLJ-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000223564073 356803151 /nfs/dbraw/zinc/80/31/51/356803151.db2.gz FJLCDGXDUUBOSG-SNVBAGLBSA-N 0 3 234.318 3.222 20 30 BGEDHN CCC(C)(C)N(C)Cc1cccc(C#N)c1F ZINC000223564209 535354868 /nfs/dbraw/zinc/35/48/68/535354868.db2.gz XBIVUYVQXFFOQS-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000223572249 134340299 /nfs/dbraw/zinc/34/02/99/134340299.db2.gz CDXYCJASDAIQDV-NEPJUHHUSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000223572307 134340632 /nfs/dbraw/zinc/34/06/32/134340632.db2.gz CDXYCJASDAIQDV-RYUDHWBXSA-N 0 3 246.329 3.175 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000223572952 134340396 /nfs/dbraw/zinc/34/03/96/134340396.db2.gz QRNJDCHJKXMGDN-BXUZGUMPSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000223573013 536093239 /nfs/dbraw/zinc/09/32/39/536093239.db2.gz QRNJDCHJKXMGDN-RISCZKNCSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000223573077 134340754 /nfs/dbraw/zinc/34/07/54/134340754.db2.gz QRNJDCHJKXMGDN-SMDDNHRTSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000223573138 134340504 /nfs/dbraw/zinc/34/05/04/134340504.db2.gz QRNJDCHJKXMGDN-FZMZJTMJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H](N[C@@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666532 387063895 /nfs/dbraw/zinc/06/38/95/387063895.db2.gz BEJXWJMMHHUSDZ-IUODEOHRSA-N 0 3 226.323 3.318 20 30 BGEDHN C[C@H](N[C@@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666594 387062683 /nfs/dbraw/zinc/06/26/83/387062683.db2.gz BEJXWJMMHHUSDZ-SWLSCSKDSA-N 0 3 226.323 3.318 20 30 BGEDHN C[C@@H](N[C@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666647 387063693 /nfs/dbraw/zinc/06/36/93/387063693.db2.gz BEJXWJMMHHUSDZ-DOMZBBRYSA-N 0 3 226.323 3.318 20 30 BGEDHN C[C@H](N[C@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666709 387062878 /nfs/dbraw/zinc/06/28/78/387062878.db2.gz BEJXWJMMHHUSDZ-WFASDCNBSA-N 0 3 226.323 3.318 20 30 BGEDHN C=CCCN[C@@H](C)c1cccc(F)c1F ZINC000223943235 134343758 /nfs/dbraw/zinc/34/37/58/134343758.db2.gz BHIBIJRIALZRKR-VIFPVBQESA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCCN[C@H](C)c1cccc(F)c1F ZINC000223943290 134343580 /nfs/dbraw/zinc/34/35/80/134343580.db2.gz BHIBIJRIALZRKR-SECBINFHSA-N 0 3 211.255 3.192 20 30 BGEDHN C=CCOc1ccccc1CNCC1(C)CC1 ZINC000224172995 134341778 /nfs/dbraw/zinc/34/17/78/134341778.db2.gz KBNPQDHQPJXZDZ-UHFFFAOYSA-N 0 3 231.339 3.141 20 30 BGEDHN CC[C@@H](CC#N)NCCCC1CCCC1 ZINC000225255102 358247657 /nfs/dbraw/zinc/24/76/57/358247657.db2.gz LIFOCXAIUHNUJJ-ZDUSSCGKSA-N 0 3 208.349 3.239 20 30 BGEDHN CC[C@H](CC#N)NCCCC1CCCC1 ZINC000225255141 358247884 /nfs/dbraw/zinc/24/78/84/358247884.db2.gz LIFOCXAIUHNUJJ-CYBMUJFWSA-N 0 3 208.349 3.239 20 30 BGEDHN C=C(CC)CNCc1ccc(CC)s1 ZINC000225265864 490153689 /nfs/dbraw/zinc/15/36/89/490153689.db2.gz KXKMFTLSJSQPHF-UHFFFAOYSA-N 0 3 209.358 3.366 20 30 BGEDHN CCc1ccc(CNCC2(CC#N)CC2)s1 ZINC000225281309 358247479 /nfs/dbraw/zinc/24/74/79/358247479.db2.gz DJSICSJIQYEEFP-UHFFFAOYSA-N 0 3 234.368 3.094 20 30 BGEDHN C[C@@H]1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC000226178276 134359850 /nfs/dbraw/zinc/35/98/50/134359850.db2.gz YFAAOVGXQZPFCZ-DVOMOZLQSA-N 0 3 242.366 3.473 20 30 BGEDHN C[C@@H]1CC[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC000226178290 134360049 /nfs/dbraw/zinc/36/00/49/134360049.db2.gz YFAAOVGXQZPFCZ-WWGRRREGSA-N 0 3 242.366 3.473 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226182187 134359770 /nfs/dbraw/zinc/35/97/70/134359770.db2.gz JUEWRVLHZYZVPO-YVECIDJPSA-N 0 3 208.349 3.093 20 30 BGEDHN C[C@H](CC#N)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000226865178 371751753 /nfs/dbraw/zinc/75/17/53/371751753.db2.gz BZMCVJVQVKMCRD-UPJWGTAASA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CC#N)NCC[C@H]1CCC[C@@H](C)C1 ZINC000226865188 371752012 /nfs/dbraw/zinc/75/20/12/371752012.db2.gz BZMCVJVQVKMCRD-JHJVBQTASA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](CC#N)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000226866862 350461464 /nfs/dbraw/zinc/46/14/64/350461464.db2.gz ZQUJZBGCCDUHJL-HZSPNIEDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NCC[C@H]1CCC[C@@H](C)C1 ZINC000226866871 358345653 /nfs/dbraw/zinc/34/56/53/358345653.db2.gz ZQUJZBGCCDUHJL-MGPQQGTHSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](CC)C1 ZINC000226935886 134370903 /nfs/dbraw/zinc/37/09/03/134370903.db2.gz RXUVUGZTMZODRO-JHJVBQTASA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](CC)C1 ZINC000226935890 134370901 /nfs/dbraw/zinc/37/09/01/134370901.db2.gz RXUVUGZTMZODRO-UPJWGTAASA-N 0 3 208.349 3.237 20 30 BGEDHN C[C@@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000227351227 350492895 /nfs/dbraw/zinc/49/28/95/350492895.db2.gz CTNBKWXLJKBUHP-ZDUSSCGKSA-N 0 3 228.339 3.373 20 30 BGEDHN C[C@H](c1ccccc1)N1CCC(C)(C#N)CC1 ZINC000227351233 350492922 /nfs/dbraw/zinc/49/29/22/350492922.db2.gz CTNBKWXLJKBUHP-CYBMUJFWSA-N 0 3 228.339 3.373 20 30 BGEDHN Cc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000227351800 350493265 /nfs/dbraw/zinc/49/32/65/350493265.db2.gz SLBQCSNIZQTXMX-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1cc(C)cc(CN2CCC(C)(C#N)CC2)c1 ZINC000227352117 350493153 /nfs/dbraw/zinc/49/31/53/350493153.db2.gz FDXGOSNQDQWMSE-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN CC1(C#N)CCN(CCCc2ccccc2)CC1 ZINC000227352284 350493052 /nfs/dbraw/zinc/49/30/52/350493052.db2.gz WKVQWXGTXGLUBV-UHFFFAOYSA-N 0 3 242.366 3.245 20 30 BGEDHN Cc1cccc(C)c1CN1CCC(C)(C#N)CC1 ZINC000227353227 350493990 /nfs/dbraw/zinc/49/39/90/350493990.db2.gz IUABVDLSELVMGY-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000227353497 350493608 /nfs/dbraw/zinc/49/36/08/350493608.db2.gz BJNSXBBZOKYFCJ-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000227353545 350494120 /nfs/dbraw/zinc/49/41/20/350494120.db2.gz AZQJDMIMFJQSOM-UHFFFAOYSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1ccc(C)c(CN2CCC(C)(C#N)CC2)c1 ZINC000227353874 350494370 /nfs/dbraw/zinc/49/43/70/350494370.db2.gz AXTXQQYRGVXJDW-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN CCc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000227354432 350494277 /nfs/dbraw/zinc/49/42/77/350494277.db2.gz WWBQPIWQSRFKIX-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)cc1C ZINC000227521149 134382657 /nfs/dbraw/zinc/38/26/57/134382657.db2.gz ZPJUBTLEWWQRNR-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN CCc1ccc(CN2CCC(C)(C#N)CC2)s1 ZINC000227521157 358359186 /nfs/dbraw/zinc/35/91/86/358359186.db2.gz VHGFPIQZVLTUPP-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCC[C@@H](C)C1 ZINC000227555373 536056116 /nfs/dbraw/zinc/05/61/16/536056116.db2.gz QRKCWODDFFEMKQ-JHJVBQTASA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCC[C@@H](C)C1 ZINC000227555380 536056040 /nfs/dbraw/zinc/05/60/40/536056040.db2.gz QRKCWODDFFEMKQ-FRRDWIJNSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000227598657 134386942 /nfs/dbraw/zinc/38/69/42/134386942.db2.gz OOIKZFUQTNZHJA-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN CC(C)C1(CNCc2ccc(C#N)cc2F)CC1 ZINC000227598720 134387043 /nfs/dbraw/zinc/38/70/43/134387043.db2.gz SPJXQFJCSAQJGO-UHFFFAOYSA-N 0 3 246.329 3.223 20 30 BGEDHN CCCC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000227598883 134386740 /nfs/dbraw/zinc/38/67/40/134386740.db2.gz XZHWWYQADYZIAX-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872792 134391565 /nfs/dbraw/zinc/39/15/65/134391565.db2.gz JAKMBQHFPMSIRY-MGPQQGTHSA-N 0 3 220.360 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872803 134391656 /nfs/dbraw/zinc/39/16/56/134391656.db2.gz JAKMBQHFPMSIRY-MCIONIFRSA-N 0 3 220.360 3.237 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000228012765 411181427 /nfs/dbraw/zinc/18/14/27/411181427.db2.gz ZIOSUOFBFPSZKK-XJKSGUPXSA-N 0 3 240.350 3.323 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000228012779 411181732 /nfs/dbraw/zinc/18/17/32/411181732.db2.gz ZIOSUOFBFPSZKK-CZUORRHYSA-N 0 3 240.350 3.323 20 30 BGEDHN CCC(C)(CC)NCc1ccc(C#N)cc1F ZINC000228125040 168311051 /nfs/dbraw/zinc/31/10/51/168311051.db2.gz BZLZQNGSRXUBMC-UHFFFAOYSA-N 0 3 234.318 3.366 20 30 BGEDHN C=C(CNCc1ccc(O)cc1)c1ccccc1 ZINC000228411578 491132276 /nfs/dbraw/zinc/13/22/76/491132276.db2.gz VRDDFOGXQCNITE-UHFFFAOYSA-N 0 3 239.318 3.195 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCC[C@@H](CC)C1 ZINC000228588718 385890328 /nfs/dbraw/zinc/89/03/28/385890328.db2.gz JDPMXGSYARLAJF-MGPQQGTHSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCC[C@@H](CC)C1 ZINC000228588726 385890501 /nfs/dbraw/zinc/89/05/01/385890501.db2.gz JDPMXGSYARLAJF-HZSPNIEDSA-N 0 3 222.376 3.485 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(OC(F)(F)F)c1 ZINC000229027223 387138905 /nfs/dbraw/zinc/13/89/05/387138905.db2.gz BSBWVSRTMFCXCE-SECBINFHSA-N 0 3 245.244 3.249 20 30 BGEDHN C=C[C@H](C)NCc1cccc(OC(F)(F)F)c1 ZINC000229027236 387138854 /nfs/dbraw/zinc/13/88/54/387138854.db2.gz BSBWVSRTMFCXCE-VIFPVBQESA-N 0 3 245.244 3.249 20 30 BGEDHN N#Cc1ccc(CNCCC2=CCCC2)c(F)c1 ZINC000229201980 181108763 /nfs/dbraw/zinc/10/87/63/181108763.db2.gz FNNRRYILGSFIIP-UHFFFAOYSA-N 0 3 244.313 3.287 20 30 BGEDHN C=CCCNCc1cccc(Cl)c1F ZINC000229239281 487898386 /nfs/dbraw/zinc/89/83/86/487898386.db2.gz VEIWSMRDLZZLFJ-UHFFFAOYSA-N 0 3 213.683 3.145 20 30 BGEDHN C[C@@H]1CC[C@@H](NCc2ccc(C#N)o2)[C@@H](C)C1 ZINC000229304045 538042724 /nfs/dbraw/zinc/04/27/24/538042724.db2.gz ODPCPDMJRIQTIF-UHIISALHSA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@@H]1CC[C@H](NCc2ccc(C#N)o2)[C@@H](C)C1 ZINC000229304064 372139881 /nfs/dbraw/zinc/13/98/81/372139881.db2.gz ODPCPDMJRIQTIF-SUNKGSAMSA-N 0 3 232.327 3.066 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(C2CC2)c1 ZINC000229319531 388786379 /nfs/dbraw/zinc/78/63/79/388786379.db2.gz STCBXSPUAPQMQK-LLVKDONJSA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@H](C)NCc1cccc(C2CC2)c1 ZINC000229319540 388786015 /nfs/dbraw/zinc/78/60/15/388786015.db2.gz STCBXSPUAPQMQK-NSHDSACASA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000229320867 388786046 /nfs/dbraw/zinc/78/60/46/388786046.db2.gz PALPBXYTTHWFNH-LLVKDONJSA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000229320873 363275812 /nfs/dbraw/zinc/27/58/12/363275812.db2.gz PALPBXYTTHWFNH-NSHDSACASA-N 0 3 201.313 3.228 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000229322083 537884526 /nfs/dbraw/zinc/88/45/26/537884526.db2.gz KASYLTIDTBQVKZ-SECBINFHSA-N 0 3 211.255 3.288 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000229322091 537884558 /nfs/dbraw/zinc/88/45/58/537884558.db2.gz KASYLTIDTBQVKZ-VIFPVBQESA-N 0 3 211.255 3.288 20 30 BGEDHN C=C[C@@H](C)NCc1cc(Cl)cs1 ZINC000229326014 519293036 /nfs/dbraw/zinc/29/30/36/519293036.db2.gz SEALWPOPCAPNAN-SSDOTTSWSA-N 0 3 201.722 3.066 20 30 BGEDHN C=C[C@H](C)NCc1cc(Cl)cs1 ZINC000229326026 363276028 /nfs/dbraw/zinc/27/60/28/363276028.db2.gz SEALWPOPCAPNAN-ZETCQYMHSA-N 0 3 201.722 3.066 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000229412982 388392487 /nfs/dbraw/zinc/39/24/87/388392487.db2.gz WMRROTUCWTXFIR-MGPQQGTHSA-N 0 3 242.366 3.425 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccccc2C#N)C1 ZINC000229413003 388391899 /nfs/dbraw/zinc/39/18/99/388391899.db2.gz WMRROTUCWTXFIR-HZSPNIEDSA-N 0 3 242.366 3.425 20 30 BGEDHN CC[C@@H](CC#N)NCC(C(C)C)C(C)C ZINC000229551854 388793903 /nfs/dbraw/zinc/79/39/03/388793903.db2.gz OBOAOSVUUOOZQN-LBPRGKRZSA-N 0 3 210.365 3.196 20 30 BGEDHN CC[C@H](CC#N)NCC(C(C)C)C(C)C ZINC000229551863 388793943 /nfs/dbraw/zinc/79/39/43/388793943.db2.gz OBOAOSVUUOOZQN-GFCCVEGCSA-N 0 3 210.365 3.196 20 30 BGEDHN CC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000229588011 168042151 /nfs/dbraw/zinc/04/21/51/168042151.db2.gz JJIXZZBCTBRWDE-UHFFFAOYSA-N 0 3 232.327 3.211 20 30 BGEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccccn1 ZINC000229670918 387192665 /nfs/dbraw/zinc/19/26/65/387192665.db2.gz JOWLKEWJXXXYPE-GFCCVEGCSA-N 0 3 231.343 3.062 20 30 BGEDHN C[C@H](NCC(C)(C)CCC#N)c1ccccn1 ZINC000229670927 387191979 /nfs/dbraw/zinc/19/19/79/387191979.db2.gz JOWLKEWJXXXYPE-LBPRGKRZSA-N 0 3 231.343 3.062 20 30 BGEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccco1 ZINC000229673991 387192690 /nfs/dbraw/zinc/19/26/90/387192690.db2.gz GHOTZVHWPKQDBM-LLVKDONJSA-N 0 3 220.316 3.260 20 30 BGEDHN C[C@H](NCC(C)(C)CCC#N)c1ccco1 ZINC000229673999 387191388 /nfs/dbraw/zinc/19/13/88/387191388.db2.gz GHOTZVHWPKQDBM-NSHDSACASA-N 0 3 220.316 3.260 20 30 BGEDHN Cc1ccc(CNCC(C)(C)CCC#N)o1 ZINC000229694851 387191607 /nfs/dbraw/zinc/19/16/07/387191607.db2.gz UNGYBJLSQXGSJD-UHFFFAOYSA-N 0 3 220.316 3.008 20 30 BGEDHN C[C@@H](NCC(C)(C)CCC#N)c1nccs1 ZINC000229696450 387192489 /nfs/dbraw/zinc/19/24/89/387192489.db2.gz TZFASVZEQXMVCC-SNVBAGLBSA-N 0 3 237.372 3.124 20 30 BGEDHN C[C@H](NCC(C)(C)CCC#N)c1nccs1 ZINC000229696459 387193113 /nfs/dbraw/zinc/19/31/13/387193113.db2.gz TZFASVZEQXMVCC-JTQLQIEISA-N 0 3 237.372 3.124 20 30 BGEDHN CCCCN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748414 388397677 /nfs/dbraw/zinc/39/76/77/388397677.db2.gz OXGVMMKQBNBTJU-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749374 388397535 /nfs/dbraw/zinc/39/75/35/388397535.db2.gz CLLZYHBTLJJTNZ-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749381 388397387 /nfs/dbraw/zinc/39/73/87/388397387.db2.gz CLLZYHBTLJJTNZ-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN CC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229749728 388397793 /nfs/dbraw/zinc/39/77/93/388397793.db2.gz MTLWQSSQQXLTAA-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749801 386469043 /nfs/dbraw/zinc/46/90/43/386469043.db2.gz KZHQWVSDVWPLME-CYBMUJFWSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000229749808 388397161 /nfs/dbraw/zinc/39/71/61/388397161.db2.gz KZHQWVSDVWPLME-ZDUSSCGKSA-N 0 3 232.302 3.072 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229750271 488095283 /nfs/dbraw/zinc/09/52/83/488095283.db2.gz CMWJCASMFAQLMD-GFCCVEGCSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CCCCCN1Cc1ccc(F)c(C#N)c1 ZINC000229750277 388397356 /nfs/dbraw/zinc/39/73/56/388397356.db2.gz CMWJCASMFAQLMD-LBPRGKRZSA-N 0 3 246.329 3.462 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000229751386 386620394 /nfs/dbraw/zinc/62/03/94/386620394.db2.gz GSKSRMMFHPRENU-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000229751393 386484789 /nfs/dbraw/zinc/48/47/89/386484789.db2.gz GSKSRMMFHPRENU-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN C=CCCOCCNc1ccnc2ccccc21 ZINC000229870004 534780344 /nfs/dbraw/zinc/78/03/44/534780344.db2.gz XCYMJZBJVNGQBN-UHFFFAOYSA-N 0 3 242.322 3.239 20 30 BGEDHN C=CCCOCCNCc1cc(C)sc1C ZINC000229879677 346472690 /nfs/dbraw/zinc/47/26/90/346472690.db2.gz YNKSVWGJSBMYEP-UHFFFAOYSA-N 0 3 239.384 3.047 20 30 BGEDHN C=CCCOCCNCc1c(C)cc(C)cc1C ZINC000229879702 388801847 /nfs/dbraw/zinc/80/18/47/388801847.db2.gz NKYIKHIKZZOLJV-UHFFFAOYSA-N 0 3 247.382 3.294 20 30 BGEDHN C=CCCOCCNCc1ccc(C(C)C)cc1 ZINC000229880167 259643089 /nfs/dbraw/zinc/64/30/89/259643089.db2.gz BATKXKVMAPXYKA-UHFFFAOYSA-N 0 3 247.382 3.492 20 30 BGEDHN C=CCCOCCNCc1ccccc1C1CC1 ZINC000229880378 491121502 /nfs/dbraw/zinc/12/15/02/491121502.db2.gz LCSIJVCTGQQIQF-UHFFFAOYSA-N 0 3 245.366 3.246 20 30 BGEDHN C=CCCOCCNCc1cc(C)c(C)cc1C ZINC000229880558 384460145 /nfs/dbraw/zinc/46/01/45/384460145.db2.gz IKBBQGUPHXKRNN-UHFFFAOYSA-N 0 3 247.382 3.294 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(OCCCC)cc1 ZINC000229881124 632996461 /nfs/dbraw/zinc/99/64/61/632996461.db2.gz CMSKUCPFKIUQOO-HNNXBMFYSA-N 0 3 245.366 3.367 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(OCCCC)cc1 ZINC000229881129 633000344 /nfs/dbraw/zinc/00/03/44/633000344.db2.gz CMSKUCPFKIUQOO-OAHLLOKOSA-N 0 3 245.366 3.367 20 30 BGEDHN C#C[C@@H](CC)NCc1csc2ccccc12 ZINC000229882314 632999260 /nfs/dbraw/zinc/99/92/60/632999260.db2.gz AEBXOQJHCYNTIS-LBPRGKRZSA-N 0 3 229.348 3.403 20 30 BGEDHN C#C[C@H](CC)NCc1csc2ccccc12 ZINC000229882320 633000447 /nfs/dbraw/zinc/00/04/47/633000447.db2.gz AEBXOQJHCYNTIS-GFCCVEGCSA-N 0 3 229.348 3.403 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(C(F)F)cc1 ZINC000229888588 259643639 /nfs/dbraw/zinc/64/36/39/259643639.db2.gz QZMBAIXIBLCRER-LBPRGKRZSA-N 0 3 223.266 3.126 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(C(F)F)cc1 ZINC000229888593 388803436 /nfs/dbraw/zinc/80/34/36/388803436.db2.gz QZMBAIXIBLCRER-GFCCVEGCSA-N 0 3 223.266 3.126 20 30 BGEDHN C#C[C@@H](CC)NCc1c(C)oc2ccccc21 ZINC000229888631 632999385 /nfs/dbraw/zinc/99/93/85/632999385.db2.gz SVVDYUJFQDCPDM-LBPRGKRZSA-N 0 3 227.307 3.243 20 30 BGEDHN C#C[C@H](CC)NCc1c(C)oc2ccccc21 ZINC000229888637 633000518 /nfs/dbraw/zinc/00/05/18/633000518.db2.gz SVVDYUJFQDCPDM-GFCCVEGCSA-N 0 3 227.307 3.243 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(C)c(Cl)c1 ZINC000229889118 640992826 /nfs/dbraw/zinc/99/28/26/640992826.db2.gz NWGJAYJXOGOGLT-LBPRGKRZSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(C)c(Cl)c1 ZINC000229889127 640992550 /nfs/dbraw/zinc/99/25/50/640992550.db2.gz NWGJAYJXOGOGLT-GFCCVEGCSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@@H](CC)NCc1c2ccccc2oc1CC ZINC000229890558 632996380 /nfs/dbraw/zinc/99/63/80/632996380.db2.gz WYBZGKUDAYHCHN-LBPRGKRZSA-N 0 3 241.334 3.497 20 30 BGEDHN C#C[C@H](CC)NCc1c2ccccc2oc1CC ZINC000229890561 632998458 /nfs/dbraw/zinc/99/84/58/632998458.db2.gz WYBZGKUDAYHCHN-GFCCVEGCSA-N 0 3 241.334 3.497 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc2nc(C)ccc2c1 ZINC000229896900 388803791 /nfs/dbraw/zinc/80/37/91/388803791.db2.gz YMPQBGRKZRBRLH-HNNXBMFYSA-N 0 3 238.334 3.045 20 30 BGEDHN C#C[C@H](CC)NCc1ccc2nc(C)ccc2c1 ZINC000229896905 388804133 /nfs/dbraw/zinc/80/41/33/388804133.db2.gz YMPQBGRKZRBRLH-OAHLLOKOSA-N 0 3 238.334 3.045 20 30 BGEDHN C#C[C@@H](CC)N[C@@H](C)c1cc2ccccc2o1 ZINC000229897343 633000409 /nfs/dbraw/zinc/00/04/09/633000409.db2.gz ASFHCFIKUUTGTR-AAEUAGOBSA-N 0 3 227.307 3.495 20 30 BGEDHN C#C[C@H](CC)N[C@@H](C)c1cc2ccccc2o1 ZINC000229897350 632996979 /nfs/dbraw/zinc/99/69/79/632996979.db2.gz ASFHCFIKUUTGTR-WCQYABFASA-N 0 3 227.307 3.495 20 30 BGEDHN C#C[C@@H](CC)N[C@H](C)c1cc2ccccc2o1 ZINC000229897356 632999271 /nfs/dbraw/zinc/99/92/71/632999271.db2.gz ASFHCFIKUUTGTR-YPMHNXCESA-N 0 3 227.307 3.495 20 30 BGEDHN C#C[C@H](CC)N[C@H](C)c1cc2ccccc2o1 ZINC000229897364 632998272 /nfs/dbraw/zinc/99/82/72/632998272.db2.gz ASFHCFIKUUTGTR-DGCLKSJQSA-N 0 3 227.307 3.495 20 30 BGEDHN C#C[C@@H](CC)NCc1cc(Cl)cc(Cl)c1 ZINC000229898557 640993725 /nfs/dbraw/zinc/99/37/25/640993725.db2.gz XTTHHDJBPNRPGB-LBPRGKRZSA-N 0 3 242.149 3.495 20 30 BGEDHN C#C[C@H](CC)NCc1cc(Cl)cc(Cl)c1 ZINC000229898564 640994416 /nfs/dbraw/zinc/99/44/16/640994416.db2.gz XTTHHDJBPNRPGB-GFCCVEGCSA-N 0 3 242.149 3.495 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(Cl)cc1C ZINC000229902232 640994290 /nfs/dbraw/zinc/99/42/90/640994290.db2.gz VXNVOCHVUMWLEB-ZDUSSCGKSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(Cl)cc1C ZINC000229902236 640994201 /nfs/dbraw/zinc/99/42/01/640994201.db2.gz VXNVOCHVUMWLEB-CYBMUJFWSA-N 0 3 221.731 3.150 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1cc(F)ccc1C#N ZINC000229957075 167368220 /nfs/dbraw/zinc/36/82/20/167368220.db2.gz HPTCDAIBHKLVFT-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1cc(F)ccc1C#N ZINC000229957081 188015344 /nfs/dbraw/zinc/01/53/44/188015344.db2.gz HPTCDAIBHKLVFT-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)N(Cc1cc(F)ccc1C#N)CC1CC1 ZINC000229957351 388872454 /nfs/dbraw/zinc/87/24/54/388872454.db2.gz YPKSHBOERSMHKU-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN CCC(C)(C)N(C)Cc1cc(F)ccc1C#N ZINC000229959175 168285772 /nfs/dbraw/zinc/28/57/72/168285772.db2.gz LWKLGXAVXDGPEW-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CCN(Cc1cccc(C#N)c1F)CC1CCC1 ZINC000230316468 388636345 /nfs/dbraw/zinc/63/63/45/388636345.db2.gz 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/nfs/dbraw/zinc/23/98/32/359239832.db2.gz YWBMPYGIXWXWKU-KBMXLJTQSA-N 0 3 245.366 3.007 20 30 BGEDHN C=CCC[C@H](O)CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247673356 359239758 /nfs/dbraw/zinc/23/97/58/359239758.db2.gz YWBMPYGIXWXWKU-VNQPRFMTSA-N 0 3 245.366 3.007 20 30 BGEDHN C=CCN(CC=C)Cc1cc(C)ccc1C ZINC000247933975 538103009 /nfs/dbraw/zinc/10/30/09/538103009.db2.gz RKPIEKVRFLGYOO-UHFFFAOYSA-N 0 3 215.340 3.477 20 30 BGEDHN C=CCN(CC=C)Cc1cc(C)cc(C)c1 ZINC000247951067 538103235 /nfs/dbraw/zinc/10/32/35/538103235.db2.gz YJILUEKCMKKMME-UHFFFAOYSA-N 0 3 215.340 3.477 20 30 BGEDHN C=CCN(CC=C)CCOc1cccc(C)c1 ZINC000248009828 537799079 /nfs/dbraw/zinc/79/90/79/537799079.db2.gz IPSFLZUBMQEOMJ-UHFFFAOYSA-N 0 3 231.339 3.048 20 30 BGEDHN C#CCN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248183424 644668949 /nfs/dbraw/zinc/66/89/49/644668949.db2.gz FWCSCBLBOIDHRL-INIZCTEOSA-N 0 3 243.350 3.246 20 30 BGEDHN C#CCN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248183425 644668119 /nfs/dbraw/zinc/66/81/19/644668119.db2.gz FWCSCBLBOIDHRL-MRXNPFEDSA-N 0 3 243.350 3.246 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(OC)c1 ZINC000248222732 345354477 /nfs/dbraw/zinc/35/44/77/345354477.db2.gz IGPIDEVQHLVIRG-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000248254876 345356679 /nfs/dbraw/zinc/35/66/79/345356679.db2.gz RTAFOTXQPAFTHY-CQSZACIVSA-N 0 3 217.312 3.018 20 30 BGEDHN C[C@H]1CN(CCCCC#N)[C@H]1c1ccccc1 ZINC000248345723 359268142 /nfs/dbraw/zinc/26/81/42/359268142.db2.gz NCVDWWGCSWRRSM-DZGCQCFKSA-N 0 3 228.339 3.373 20 30 BGEDHN C[C@@H]1CN(CCCCC#N)[C@H]1c1ccccc1 ZINC000248345724 359268494 /nfs/dbraw/zinc/26/84/94/359268494.db2.gz NCVDWWGCSWRRSM-UKRRQHHQSA-N 0 3 228.339 3.373 20 30 BGEDHN CC#CCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000248391249 135001463 /nfs/dbraw/zinc/00/14/63/135001463.db2.gz JDCZJZDQKSDJPC-HIFRSBDPSA-N 0 3 213.324 3.093 20 30 BGEDHN CC#CCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000248391250 135002007 /nfs/dbraw/zinc/00/20/07/135002007.db2.gz JDCZJZDQKSDJPC-ZFWWWQNUSA-N 0 3 213.324 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@H](C)c1ccccc1 ZINC000248397238 135005346 /nfs/dbraw/zinc/00/53/46/135005346.db2.gz LLOHBDLMWDFKQB-GZBFAFLISA-N 0 3 230.355 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000248397239 135005030 /nfs/dbraw/zinc/00/50/30/135005030.db2.gz LLOHBDLMWDFKQB-KCQAQPDRSA-N 0 3 230.355 3.460 20 30 BGEDHN CC#CCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000248399881 323018096 /nfs/dbraw/zinc/01/80/96/323018096.db2.gz WLWSCZYBLLINKR-KBPBESRZSA-N 0 3 231.339 3.466 20 30 BGEDHN CC#CCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000248399882 323018207 /nfs/dbraw/zinc/01/82/07/323018207.db2.gz WLWSCZYBLLINKR-KGLIPLIRSA-N 0 3 231.339 3.466 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN(C)[C@H](C)CC#N)C1 ZINC000248448811 388680094 /nfs/dbraw/zinc/68/00/94/388680094.db2.gz DRJXVICTHGUABB-MCIONIFRSA-N 0 3 222.376 3.437 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN(C)[C@H](C)CC#N)C1 ZINC000248448814 388680600 /nfs/dbraw/zinc/68/06/00/388680600.db2.gz DRJXVICTHGUABB-MGPQQGTHSA-N 0 3 222.376 3.437 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@H]1CCCC[C@@H]1C ZINC000248487003 388682263 /nfs/dbraw/zinc/68/22/63/388682263.db2.gz LNTQQRXOFOGTIB-HZSPNIEDSA-N 0 3 222.376 3.294 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCCC[C@H]1C ZINC000248487004 388682178 /nfs/dbraw/zinc/68/21/78/388682178.db2.gz LNTQQRXOFOGTIB-MCIONIFRSA-N 0 3 222.376 3.294 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@H]1CCCC[C@H]1C ZINC000248487005 388682210 /nfs/dbraw/zinc/68/22/10/388682210.db2.gz LNTQQRXOFOGTIB-MGPQQGTHSA-N 0 3 222.376 3.294 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCCC[C@@H]1C ZINC000248487006 388682097 /nfs/dbraw/zinc/68/20/97/388682097.db2.gz LNTQQRXOFOGTIB-RDBSUJKOSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@H]1CCCC[C@H]1C ZINC000248509957 388682947 /nfs/dbraw/zinc/68/29/47/388682947.db2.gz ZLCNKRSUQRXHGI-JHJVBQTASA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H]1CCCC[C@H]1C ZINC000248509959 388683257 /nfs/dbraw/zinc/68/32/57/388683257.db2.gz ZLCNKRSUQRXHGI-UPJWGTAASA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@H](CC#N)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000248550999 323024832 /nfs/dbraw/zinc/02/48/32/323024832.db2.gz GOMFHMKDUYIZJN-AGIUHOORSA-N 0 3 222.376 3.483 20 30 BGEDHN C[C@H](CC#N)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000248551000 323024930 /nfs/dbraw/zinc/02/49/30/323024930.db2.gz GOMFHMKDUYIZJN-FRRDWIJNSA-N 0 3 222.376 3.483 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000248558205 135003854 /nfs/dbraw/zinc/00/38/54/135003854.db2.gz LSHHNXJMVCIIEZ-MCIONIFRSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC[C@@H](C#N)CCC#N ZINC000248558207 135003908 /nfs/dbraw/zinc/00/39/08/135003908.db2.gz LSHHNXJMVCIIEZ-MGPQQGTHSA-N 0 3 247.386 3.234 20 30 BGEDHN CCN(C[C@H](C)Cc1ccccc1)C[C@H](C)C#N ZINC000248612796 388686896 /nfs/dbraw/zinc/68/68/96/388686896.db2.gz YBCXJQAKIFBDQY-HUUCEWRRSA-N 0 3 244.382 3.347 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H](C)Cc1ccccc1 ZINC000248612798 388686447 /nfs/dbraw/zinc/68/64/47/388686447.db2.gz YBCXJQAKIFBDQY-LSDHHAIUSA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@H](CC#N)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692847 135019181 /nfs/dbraw/zinc/01/91/81/135019181.db2.gz BQGGBMOECWPPHE-KBMXLJTQSA-N 0 3 242.366 3.290 20 30 BGEDHN C[C@H](CC#N)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692851 135019454 /nfs/dbraw/zinc/01/94/54/135019454.db2.gz BQGGBMOECWPPHE-VNQPRFMTSA-N 0 3 242.366 3.290 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@H]1NC[C@H](C)C#N ZINC000248709781 325618027 /nfs/dbraw/zinc/61/80/27/325618027.db2.gz ISCQWPPMLFIGRI-HZSPNIEDSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC[C@H](C)C#N ZINC000248709784 388691164 /nfs/dbraw/zinc/69/11/64/388691164.db2.gz ISCQWPPMLFIGRI-RDBSUJKOSA-N 0 3 222.376 3.341 20 30 BGEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000248728977 135020586 /nfs/dbraw/zinc/02/05/86/135020586.db2.gz DAXGMOKVXUGIFG-BZPMIXESSA-N 0 3 244.338 3.329 20 30 BGEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3occc32)C1 ZINC000248728979 135020511 /nfs/dbraw/zinc/02/05/11/135020511.db2.gz DAXGMOKVXUGIFG-DYEKYZERSA-N 0 3 244.338 3.329 20 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3.483 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000248805349 345702794 /nfs/dbraw/zinc/70/27/94/345702794.db2.gz BFXUBFHIZAQQFA-HUUCEWRRSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000248805352 388694385 /nfs/dbraw/zinc/69/43/85/388694385.db2.gz BFXUBFHIZAQQFA-LSDHHAIUSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000248833257 135022434 /nfs/dbraw/zinc/02/24/34/135022434.db2.gz IXXDXYZBVOSNGS-NWDGAFQWSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000248833264 135022344 /nfs/dbraw/zinc/02/23/44/135022344.db2.gz IXXDXYZBVOSNGS-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CC(C)(C)C[C@H]1C ZINC000248843271 135024072 /nfs/dbraw/zinc/02/40/72/135024072.db2.gz QOPFIHMEKWQBOE-IJLUTSLNSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CC(C)(C)C[C@H]1C ZINC000248843273 135023669 /nfs/dbraw/zinc/02/36/69/135023669.db2.gz QOPFIHMEKWQBOE-UTUOFQBUSA-N 0 3 208.349 3.093 20 30 BGEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000248889211 135025301 /nfs/dbraw/zinc/02/53/01/135025301.db2.gz RTKSJHFNLQXGJV-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000248889214 135024428 /nfs/dbraw/zinc/02/44/28/135024428.db2.gz RTKSJHFNLQXGJV-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248898411 384906674 /nfs/dbraw/zinc/90/66/74/384906674.db2.gz OMRMZBXWTXFXMN-FDYHWXHSSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248898414 135025914 /nfs/dbraw/zinc/02/59/14/135025914.db2.gz OMRMZBXWTXFXMN-UMSGYPCISA-N 0 3 208.349 3.093 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@@H]2CCC[C@H]21 ZINC000248908669 388698931 /nfs/dbraw/zinc/69/89/31/388698931.db2.gz XHAXLBLQMSJCCG-DLBZAZTESA-N 0 3 239.362 3.303 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@H]2CCC[C@H]21 ZINC000248908673 388698880 /nfs/dbraw/zinc/69/88/80/388698880.db2.gz XHAXLBLQMSJCCG-IAGOWNOFSA-N 0 3 239.362 3.303 20 30 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ZINC000268244418 166265620 /nfs/dbraw/zinc/26/56/20/166265620.db2.gz SCJVFPJRYFQANK-LBPRGKRZSA-N 0 3 249.379 3.361 20 30 BGEDHN C=CCCCN(C)Cc1c(C)nc2sccn12 ZINC000268459993 166233202 /nfs/dbraw/zinc/23/32/02/166233202.db2.gz DPBQLNRMXWGZPR-UHFFFAOYSA-N 0 3 249.383 3.102 20 30 BGEDHN C=CCC[C@@H](O)CN([C@@H](C)c1ccco1)C1CC1 ZINC000268475787 166298647 /nfs/dbraw/zinc/29/86/47/166298647.db2.gz NNOKRQMQWWLUOD-GXTWGEPZSA-N 0 3 249.354 3.132 20 30 BGEDHN C=CCC[C@H](O)CN([C@@H](C)c1ccco1)C1CC1 ZINC000268475789 166302949 /nfs/dbraw/zinc/30/29/49/166302949.db2.gz NNOKRQMQWWLUOD-JSGCOSHPSA-N 0 3 249.354 3.132 20 30 BGEDHN C=CCC[C@H](O)CN([C@H](C)c1ccco1)C1CC1 ZINC000268475790 166303611 /nfs/dbraw/zinc/30/36/11/166303611.db2.gz NNOKRQMQWWLUOD-OCCSQVGLSA-N 0 3 249.354 3.132 20 30 BGEDHN C=CCC[C@@H](O)CN([C@H](C)c1ccco1)C1CC1 ZINC000268475792 166297085 /nfs/dbraw/zinc/29/70/85/166297085.db2.gz NNOKRQMQWWLUOD-TZMCWYRMSA-N 0 3 249.354 3.132 20 30 BGEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1cccs1 ZINC000268555634 166302923 /nfs/dbraw/zinc/30/29/23/166302923.db2.gz NZUPMFWIMWEESN-NEPJUHHUSA-N 0 3 239.384 3.068 20 30 BGEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1cccs1 ZINC000268555638 166298476 /nfs/dbraw/zinc/29/84/76/166298476.db2.gz NZUPMFWIMWEESN-NWDGAFQWSA-N 0 3 239.384 3.068 20 30 BGEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1cccs1 ZINC000268555642 166302855 /nfs/dbraw/zinc/30/28/55/166302855.db2.gz NZUPMFWIMWEESN-RYUDHWBXSA-N 0 3 239.384 3.068 20 30 BGEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1cccs1 ZINC000268555644 166298025 /nfs/dbraw/zinc/29/80/25/166298025.db2.gz NZUPMFWIMWEESN-VXGBXAGGSA-N 0 3 239.384 3.068 20 30 BGEDHN C#CCCN(C)Cc1ccccc1C(F)(F)F ZINC000268757347 166134556 /nfs/dbraw/zinc/13/45/56/166134556.db2.gz YQPOIUWHASGRJU-UHFFFAOYSA-N 0 3 241.256 3.161 20 30 BGEDHN C=CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269077883 166262807 /nfs/dbraw/zinc/26/28/07/166262807.db2.gz CQQYQIICHOSNMF-UHFFFAOYSA-N 0 3 246.310 3.135 20 30 BGEDHN C#CCCN1CCCCC[C@@H]1c1ccco1 ZINC000269838321 166136826 /nfs/dbraw/zinc/13/68/26/166136826.db2.gz DIZAVYVLLFVFNG-CYBMUJFWSA-N 0 3 217.312 3.220 20 30 BGEDHN C#CCCN1CCCCC[C@H]1c1ccco1 ZINC000269838329 166136747 /nfs/dbraw/zinc/13/67/47/166136747.db2.gz DIZAVYVLLFVFNG-ZDUSSCGKSA-N 0 3 217.312 3.220 20 30 BGEDHN C#CCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000269845806 166135030 /nfs/dbraw/zinc/13/50/30/166135030.db2.gz GCSCKWZLPPRTPU-LLVKDONJSA-N 0 3 236.384 3.030 20 30 BGEDHN C#CCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000269845807 166134504 /nfs/dbraw/zinc/13/45/04/166134504.db2.gz GCSCKWZLPPRTPU-NSHDSACASA-N 0 3 236.384 3.030 20 30 BGEDHN C#CCCN(Cc1ccco1)C1CCCC1 ZINC000269912932 192376223 /nfs/dbraw/zinc/37/62/23/192376223.db2.gz RQUYEYZZWUMASB-UHFFFAOYSA-N 0 3 217.312 3.048 20 30 BGEDHN CC(C)CSCCNCc1cccc(C#N)c1 ZINC000270034429 187236929 /nfs/dbraw/zinc/23/69/29/187236929.db2.gz BMPFULCYQGWFRB-UHFFFAOYSA-N 0 3 248.395 3.037 20 30 BGEDHN CC(C)CSCCNCc1ccc(C#N)cc1 ZINC000270084705 188088868 /nfs/dbraw/zinc/08/88/68/188088868.db2.gz KAXCHRRFPRCOKY-UHFFFAOYSA-N 0 3 248.395 3.037 20 30 BGEDHN CC1(C)CN(CCCC#N)Cc2ccccc21 ZINC000270352804 135171729 /nfs/dbraw/zinc/17/17/29/135171729.db2.gz IGVCAPQFMUXQDM-UHFFFAOYSA-N 0 3 228.339 3.084 20 30 BGEDHN C=CCCCN1CC=C(C(F)(F)F)CC1 ZINC000270361689 166234552 /nfs/dbraw/zinc/23/45/52/166234552.db2.gz YBWKERFTFUBONJ-UHFFFAOYSA-N 0 3 219.250 3.147 20 30 BGEDHN CC1=CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000270387293 168117337 /nfs/dbraw/zinc/11/73/37/168117337.db2.gz XHUVRESNHHGXHS-CYBMUJFWSA-N 0 3 226.323 3.271 20 30 BGEDHN CC1=CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000270387295 168117448 /nfs/dbraw/zinc/11/74/48/168117448.db2.gz XHUVRESNHHGXHS-ZDUSSCGKSA-N 0 3 226.323 3.271 20 30 BGEDHN CC1(C)CN(CCCCC#N)Cc2ccccc21 ZINC000270390527 135171284 /nfs/dbraw/zinc/17/12/84/135171284.db2.gz SGKFJJCNSXBPBM-UHFFFAOYSA-N 0 3 242.366 3.474 20 30 BGEDHN C#CCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000270502950 166134316 /nfs/dbraw/zinc/13/43/16/166134316.db2.gz IHQRFXHLXLOXFQ-GFCCVEGCSA-N 0 3 248.395 3.038 20 30 BGEDHN C#CCCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000270502952 166135425 /nfs/dbraw/zinc/13/54/25/166135425.db2.gz IHQRFXHLXLOXFQ-LBPRGKRZSA-N 0 3 248.395 3.038 20 30 BGEDHN C#CCCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000270599896 166134568 /nfs/dbraw/zinc/13/45/68/166134568.db2.gz LPTFIRYUMRFLSP-UHFFFAOYSA-N 0 3 241.256 3.161 20 30 BGEDHN C#CCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000270624890 387433109 /nfs/dbraw/zinc/43/31/09/387433109.db2.gz PKPBUDJAVCJXHR-CHWSQXEVSA-N 0 3 217.312 3.076 20 30 BGEDHN C#CCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000270624891 387434220 /nfs/dbraw/zinc/43/42/20/387434220.db2.gz PKPBUDJAVCJXHR-OLZOCXBDSA-N 0 3 217.312 3.076 20 30 BGEDHN C#CCCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000270624893 387433454 /nfs/dbraw/zinc/43/34/54/387433454.db2.gz PKPBUDJAVCJXHR-QWHCGFSZSA-N 0 3 217.312 3.076 20 30 BGEDHN C#CCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000270624895 387434797 /nfs/dbraw/zinc/43/47/97/387434797.db2.gz PKPBUDJAVCJXHR-STQMWFEESA-N 0 3 217.312 3.076 20 30 BGEDHN C#CCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000270640838 166136656 /nfs/dbraw/zinc/13/66/56/166136656.db2.gz RSGCTFPMDUUCIP-UHFFFAOYSA-N 0 3 249.304 3.168 20 30 BGEDHN C=CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270910975 166262489 /nfs/dbraw/zinc/26/24/89/166262489.db2.gz QCLLVQIVBWJCCU-UHFFFAOYSA-N 0 3 246.310 3.135 20 30 BGEDHN C#CCCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000270971556 166128835 /nfs/dbraw/zinc/12/88/35/166128835.db2.gz ARZAWCLLYUPREE-LLVKDONJSA-N 0 3 237.293 3.371 20 30 BGEDHN C#CCCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000270971557 166127972 /nfs/dbraw/zinc/12/79/72/166127972.db2.gz ARZAWCLLYUPREE-NSHDSACASA-N 0 3 237.293 3.371 20 30 BGEDHN C=C(C)CN(CC)Cc1sccc1OC ZINC000270993873 398143286 /nfs/dbraw/zinc/14/32/86/398143286.db2.gz IUVCJJNPWSANNY-UHFFFAOYSA-N 0 3 225.357 3.155 20 30 BGEDHN C#CCCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000271008165 166127778 /nfs/dbraw/zinc/12/77/78/166127778.db2.gz HLDBTBQQVQKHGF-CYBMUJFWSA-N 0 3 231.339 3.189 20 30 BGEDHN C#CCCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000271008165 166127777 /nfs/dbraw/zinc/12/77/77/166127777.db2.gz HLDBTBQQVQKHGF-CYBMUJFWSA-N 0 3 231.339 3.189 20 30 BGEDHN C#CCCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000271008167 166129282 /nfs/dbraw/zinc/12/92/82/166129282.db2.gz HLDBTBQQVQKHGF-ZDUSSCGKSA-N 0 3 231.339 3.189 20 30 BGEDHN C#CCCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000271008167 166129280 /nfs/dbraw/zinc/12/92/80/166129280.db2.gz HLDBTBQQVQKHGF-ZDUSSCGKSA-N 0 3 231.339 3.189 20 30 BGEDHN C#CCCCN[C@](C)(CC)c1nc(C)cs1 ZINC000271012147 166133405 /nfs/dbraw/zinc/13/34/05/166133405.db2.gz HUKJEWPXYRORNN-CYBMUJFWSA-N 0 3 236.384 3.080 20 30 BGEDHN C#CCCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000271012149 166133414 /nfs/dbraw/zinc/13/34/14/166133414.db2.gz HUKJEWPXYRORNN-ZDUSSCGKSA-N 0 3 236.384 3.080 20 30 BGEDHN C#CCCCNC1(c2nc(C)cs2)CCCC1 ZINC000271012239 166132755 /nfs/dbraw/zinc/13/27/55/166132755.db2.gz HWTDFHLPJGXDCU-UHFFFAOYSA-N 0 3 248.395 3.224 20 30 BGEDHN CCCCN(Cc1ccc(C#N)s1)C1CC1 ZINC000271033070 388370858 /nfs/dbraw/zinc/37/08/58/388370858.db2.gz DLCPKDKQOUCRJW-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN C#CCCCN(Cc1ccccc1OC)C1CC1 ZINC000271034261 166128038 /nfs/dbraw/zinc/12/80/38/166128038.db2.gz LKCPMDPCFRCLAA-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCCCN(C)[C@H](C)c1sc(C)nc1C ZINC000271043757 166127899 /nfs/dbraw/zinc/12/78/99/166127899.db2.gz NRCGCMYTTMKDMB-LLVKDONJSA-N 0 3 236.384 3.166 20 30 BGEDHN C#CCCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000271043758 166127942 /nfs/dbraw/zinc/12/79/42/166127942.db2.gz NRCGCMYTTMKDMB-NSHDSACASA-N 0 3 236.384 3.166 20 30 BGEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)C(C)C ZINC000271050503 388371281 /nfs/dbraw/zinc/37/12/81/388371281.db2.gz PNZSCOGKAGMJBT-GFCCVEGCSA-N 0 3 246.354 3.043 20 30 BGEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)C(C)C ZINC000271050504 388371552 /nfs/dbraw/zinc/37/15/52/388371552.db2.gz PNZSCOGKAGMJBT-LBPRGKRZSA-N 0 3 246.354 3.043 20 30 BGEDHN CCC[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000271054753 388371080 /nfs/dbraw/zinc/37/10/80/388371080.db2.gz COBNIZWFLNUUMA-JTQLQIEISA-N 0 3 222.357 3.240 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000271054755 169365619 /nfs/dbraw/zinc/36/56/19/169365619.db2.gz COBNIZWFLNUUMA-SNVBAGLBSA-N 0 3 222.357 3.240 20 30 BGEDHN C#CCCCN([C@H](C)c1ccco1)C1CC1 ZINC000271054831 166128918 /nfs/dbraw/zinc/12/89/18/166128918.db2.gz QVUAYVPGZGTRIL-GFCCVEGCSA-N 0 3 217.312 3.218 20 30 BGEDHN C#CCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000271054832 166127790 /nfs/dbraw/zinc/12/77/90/166127790.db2.gz QVUAYVPGZGTRIL-LBPRGKRZSA-N 0 3 217.312 3.218 20 30 BGEDHN C#CCCC[N@H+](CCC)Cc1ccccc1[O-] ZINC000271067164 166127887 /nfs/dbraw/zinc/12/78/87/166127887.db2.gz USFBYOOVNQQJLA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C#CCCC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000271067164 166127886 /nfs/dbraw/zinc/12/78/86/166127886.db2.gz USFBYOOVNQQJLA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000271073031 388371464 /nfs/dbraw/zinc/37/14/64/388371464.db2.gz MVPVISWBNNXEMI-CYBMUJFWSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000271073033 388371908 /nfs/dbraw/zinc/37/19/08/388371908.db2.gz MVPVISWBNNXEMI-ZDUSSCGKSA-N 0 3 234.368 3.240 20 30 BGEDHN C#CCCCN1CCSC[C@H]1c1ccccc1 ZINC000271081816 166131582 /nfs/dbraw/zinc/13/15/82/166131582.db2.gz YNVWHBWAXOVIRY-HNNXBMFYSA-N 0 3 245.391 3.190 20 30 BGEDHN C#CCCCN1CCSC[C@@H]1c1ccccc1 ZINC000271081819 166130979 /nfs/dbraw/zinc/13/09/79/166130979.db2.gz YNVWHBWAXOVIRY-OAHLLOKOSA-N 0 3 245.391 3.190 20 30 BGEDHN CN(Cc1ccc(C#N)s1)CC(C)(C)C ZINC000271120399 388373321 /nfs/dbraw/zinc/37/33/21/388373321.db2.gz JSZUMSARBGBGRE-UHFFFAOYSA-N 0 3 222.357 3.098 20 30 BGEDHN CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000271136065 168528780 /nfs/dbraw/zinc/52/87/80/168528780.db2.gz SSLLGYCVISQQDJ-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN C=C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000271148547 188263295 /nfs/dbraw/zinc/26/32/95/188263295.db2.gz BPORYTXUKYYXBL-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN C=C1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000271162323 387440115 /nfs/dbraw/zinc/44/01/15/387440115.db2.gz LFQSDRJHCAQDIR-UHFFFAOYSA-N 0 3 226.323 3.320 20 30 BGEDHN C=C1CCN(Cc2ccc(C)s2)CC1 ZINC000271170363 385797370 /nfs/dbraw/zinc/79/73/70/385797370.db2.gz PWEGGNZQVRXZOQ-UHFFFAOYSA-N 0 3 207.342 3.209 20 30 BGEDHN CCC(C)(C)N(C)Cc1ccc(C#N)s1 ZINC000271174564 168285591 /nfs/dbraw/zinc/28/55/91/168285591.db2.gz JWVJCBWSOYJHOK-UHFFFAOYSA-N 0 3 222.357 3.240 20 30 BGEDHN C=C1CCN(Cc2sccc2C)CC1 ZINC000271182571 385800888 /nfs/dbraw/zinc/80/08/88/385800888.db2.gz XXJKCQKHKQRYCO-UHFFFAOYSA-N 0 3 207.342 3.209 20 30 BGEDHN CCC1(C)CCN(Cc2ccc(C#N)o2)CC1 ZINC000271193787 388377015 /nfs/dbraw/zinc/37/70/15/388377015.db2.gz TYVLLKFFYAIGIH-UHFFFAOYSA-N 0 3 232.327 3.163 20 30 BGEDHN CCC1(CC)CCN(Cc2ccc(C#N)o2)C1 ZINC000271203562 388377334 /nfs/dbraw/zinc/37/73/34/388377334.db2.gz VEPVNZVYLQYZPS-UHFFFAOYSA-N 0 3 232.327 3.163 20 30 BGEDHN C=CCN(Cc1cccc2cccnc21)C1CC1 ZINC000271389596 166346049 /nfs/dbraw/zinc/34/60/49/166346049.db2.gz JUTLDDREITWLHV-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CCCCN(Cc1ccccn1)C1CC1 ZINC000271465779 166235070 /nfs/dbraw/zinc/23/50/70/166235070.db2.gz FSLYZUXCIRADEH-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN CO[C@H](C)[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000271506922 351421570 /nfs/dbraw/zinc/42/15/70/351421570.db2.gz MZKSWKKTPHDKMU-GUTXKFCHSA-N 0 3 246.354 3.044 20 30 BGEDHN CO[C@H](C)[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000271506923 351421361 /nfs/dbraw/zinc/42/13/61/351421361.db2.gz MZKSWKKTPHDKMU-GZBFAFLISA-N 0 3 246.354 3.044 20 30 BGEDHN CO[C@H](C)[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000271506924 351421547 /nfs/dbraw/zinc/42/15/47/351421547.db2.gz MZKSWKKTPHDKMU-NFAWXSAZSA-N 0 3 246.354 3.044 20 30 BGEDHN CO[C@H](C)[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000271506925 133540566 /nfs/dbraw/zinc/54/05/66/133540566.db2.gz MZKSWKKTPHDKMU-UMVBOHGHSA-N 0 3 246.354 3.044 20 30 BGEDHN C#CC[C@@H](N[C@@H](COC)C(C)C)c1ccccc1 ZINC000271589181 166205887 /nfs/dbraw/zinc/20/58/87/166205887.db2.gz XZCHJMDCMNENKH-CVEARBPZSA-N 0 3 245.366 3.012 20 30 BGEDHN C#CC[C@H](N[C@@H](COC)C(C)C)c1ccccc1 ZINC000271589183 387446084 /nfs/dbraw/zinc/44/60/84/387446084.db2.gz XZCHJMDCMNENKH-HOTGVXAUSA-N 0 3 245.366 3.012 20 30 BGEDHN C#CC[C@@H](N[C@H](COC)C(C)C)c1ccccc1 ZINC000271589184 166205331 /nfs/dbraw/zinc/20/53/31/166205331.db2.gz XZCHJMDCMNENKH-HZPDHXFCSA-N 0 3 245.366 3.012 20 30 BGEDHN C#CC[C@H](N[C@H](COC)C(C)C)c1ccccc1 ZINC000271589186 187236891 /nfs/dbraw/zinc/23/68/91/187236891.db2.gz XZCHJMDCMNENKH-JKSUJKDBSA-N 0 3 245.366 3.012 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000271624834 166244374 /nfs/dbraw/zinc/24/43/74/166244374.db2.gz DMAGSYXWBHCFEO-LLVKDONJSA-N 0 3 205.301 3.009 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000271624836 166241565 /nfs/dbraw/zinc/24/15/65/166241565.db2.gz DMAGSYXWBHCFEO-NSHDSACASA-N 0 3 205.301 3.009 20 30 BGEDHN C#CCCN[C@@H](CC)c1ccccc1OCC ZINC000271637645 387445926 /nfs/dbraw/zinc/44/59/26/387445926.db2.gz CCGQBTGYIYPBPI-AWEZNQCLSA-N 0 3 231.339 3.149 20 30 BGEDHN C#CCCN[C@H](CC)c1ccccc1OCC ZINC000271637647 166149709 /nfs/dbraw/zinc/14/97/09/166149709.db2.gz CCGQBTGYIYPBPI-CQSZACIVSA-N 0 3 231.339 3.149 20 30 BGEDHN C#CC[C@H](NCCOC(C)(C)C)c1ccccc1 ZINC000271647404 387445230 /nfs/dbraw/zinc/44/52/30/387445230.db2.gz ANMQEEIHILYWDA-HNNXBMFYSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@@H](NCCOC(C)(C)C)c1ccccc1 ZINC000271647407 166204751 /nfs/dbraw/zinc/20/47/51/166204751.db2.gz ANMQEEIHILYWDA-OAHLLOKOSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@@H](NCCC(F)(F)F)c1ccccc1 ZINC000271648357 166205560 /nfs/dbraw/zinc/20/55/60/166205560.db2.gz ASHUBMIAISVTMF-GFCCVEGCSA-N 0 3 241.256 3.293 20 30 BGEDHN C#CC[C@H](NCCC(F)(F)F)c1ccccc1 ZINC000271648359 387446537 /nfs/dbraw/zinc/44/65/37/387446537.db2.gz ASHUBMIAISVTMF-LBPRGKRZSA-N 0 3 241.256 3.293 20 30 BGEDHN C#CC[C@H](NCCSCC)c1ccccc1 ZINC000271662395 389023571 /nfs/dbraw/zinc/02/35/71/389023571.db2.gz DODUMWOTCVNUHG-AWEZNQCLSA-N 0 3 233.380 3.094 20 30 BGEDHN C#CC[C@@H](NCCSCC)c1ccccc1 ZINC000271662397 166205379 /nfs/dbraw/zinc/20/53/79/166205379.db2.gz DODUMWOTCVNUHG-CQSZACIVSA-N 0 3 233.380 3.094 20 30 BGEDHN C=CCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671854 166244455 /nfs/dbraw/zinc/24/44/55/166244455.db2.gz BAPTXGXYYARDTQ-LLVKDONJSA-N 0 3 234.299 3.212 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671857 166241894 /nfs/dbraw/zinc/24/18/94/166241894.db2.gz BAPTXGXYYARDTQ-NSHDSACASA-N 0 3 234.299 3.212 20 30 BGEDHN C[C@@H](NCCCC#N)c1cc(F)c(F)c(F)c1 ZINC000271683183 351427451 /nfs/dbraw/zinc/42/74/51/351427451.db2.gz IWYKYHKMUWEBDG-MRVPVSSYSA-N 0 3 242.244 3.058 20 30 BGEDHN C[C@H](NCCCC#N)c1cc(F)c(F)c(F)c1 ZINC000271683185 133541137 /nfs/dbraw/zinc/54/11/37/133541137.db2.gz IWYKYHKMUWEBDG-QMMMGPOBSA-N 0 3 242.244 3.058 20 30 BGEDHN CSc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000271690873 136375096 /nfs/dbraw/zinc/37/50/96/136375096.db2.gz RLPNDSWLICPQMH-LLVKDONJSA-N 0 3 234.368 3.363 20 30 BGEDHN CSc1ccc([C@H](C)NCCCC#N)cc1 ZINC000271690874 136374958 /nfs/dbraw/zinc/37/49/58/136374958.db2.gz RLPNDSWLICPQMH-NSHDSACASA-N 0 3 234.368 3.363 20 30 BGEDHN C#CCCN[C@H](CC)c1cc(F)ccc1F ZINC000271693863 166149506 /nfs/dbraw/zinc/14/95/06/166149506.db2.gz FUXVKYWOJFEMLC-CYBMUJFWSA-N 0 3 223.266 3.029 20 30 BGEDHN C#CCCN[C@@H](CC)c1cc(F)ccc1F ZINC000271693865 188090652 /nfs/dbraw/zinc/09/06/52/188090652.db2.gz FUXVKYWOJFEMLC-ZDUSSCGKSA-N 0 3 223.266 3.029 20 30 BGEDHN C=CCCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000271726396 166243778 /nfs/dbraw/zinc/24/37/78/166243778.db2.gz RDSWUEVEXSRYNS-CYBMUJFWSA-N 0 3 219.328 3.399 20 30 BGEDHN C=CCCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000271726400 166241627 /nfs/dbraw/zinc/24/16/27/166241627.db2.gz RDSWUEVEXSRYNS-ZDUSSCGKSA-N 0 3 219.328 3.399 20 30 BGEDHN CC(C)=CCNC1(c2cccc(C#N)c2)CC1 ZINC000271761837 388402215 /nfs/dbraw/zinc/40/22/15/388402215.db2.gz HWGLWIATIQHAJC-UHFFFAOYSA-N 0 3 226.323 3.103 20 30 BGEDHN N#Cc1cccc(C2(N[C@H]3C=CCCC3)CC2)c1 ZINC000271763438 181136954 /nfs/dbraw/zinc/13/69/54/181136954.db2.gz IJBOJTQODFHGOE-HNNXBMFYSA-N 0 3 238.334 3.246 20 30 BGEDHN N#Cc1cccc(C2(N[C@@H]3C=CCCC3)CC2)c1 ZINC000271763440 181136861 /nfs/dbraw/zinc/13/68/61/181136861.db2.gz IJBOJTQODFHGOE-OAHLLOKOSA-N 0 3 238.334 3.246 20 30 BGEDHN CCOc1ccccc1[C@@H](C)NCCCC#N ZINC000271793439 351437244 /nfs/dbraw/zinc/43/72/44/351437244.db2.gz QZOKWFJBJBYJIR-GFCCVEGCSA-N 0 3 232.327 3.040 20 30 BGEDHN CCOc1ccccc1[C@H](C)NCCCC#N ZINC000271793440 351436947 /nfs/dbraw/zinc/43/69/47/351436947.db2.gz QZOKWFJBJBYJIR-LBPRGKRZSA-N 0 3 232.327 3.040 20 30 BGEDHN CCSCCN[C@@H](CCC#N)c1ccccc1 ZINC000271815281 351439014 /nfs/dbraw/zinc/43/90/14/351439014.db2.gz SJVARBHCMZTIFD-AWEZNQCLSA-N 0 3 248.395 3.374 20 30 BGEDHN CCSCCN[C@H](CCC#N)c1ccccc1 ZINC000271815282 351439251 /nfs/dbraw/zinc/43/92/51/351439251.db2.gz SJVARBHCMZTIFD-CQSZACIVSA-N 0 3 248.395 3.374 20 30 BGEDHN N#CCCCN[C@@H]1CCSc2ccccc21 ZINC000271953312 136375033 /nfs/dbraw/zinc/37/50/33/136375033.db2.gz DPXJXWLERHGKTQ-GFCCVEGCSA-N 0 3 232.352 3.117 20 30 BGEDHN N#CCCCN[C@H]1CCSc2ccccc21 ZINC000271953314 136375167 /nfs/dbraw/zinc/37/51/67/136375167.db2.gz DPXJXWLERHGKTQ-LBPRGKRZSA-N 0 3 232.352 3.117 20 30 BGEDHN CC(C)(C#N)CCN1CCc2ccsc2C1 ZINC000272003590 351448565 /nfs/dbraw/zinc/44/85/65/351448565.db2.gz IMDAOKFXUWYGDF-UHFFFAOYSA-N 0 3 234.368 3.046 20 30 BGEDHN Cn1cccc1[C@@H]1CCCN1CCC(C)(C)C#N ZINC000272019425 351449982 /nfs/dbraw/zinc/44/99/82/351449982.db2.gz MIGMBGRLDGAACX-AWEZNQCLSA-N 0 3 245.370 3.102 20 30 BGEDHN Cn1cccc1[C@H]1CCCN1CCC(C)(C)C#N ZINC000272019427 351449897 /nfs/dbraw/zinc/44/98/97/351449897.db2.gz MIGMBGRLDGAACX-CQSZACIVSA-N 0 3 245.370 3.102 20 30 BGEDHN CN(CCC(C)(C)C#N)C1Cc2ccccc2C1 ZINC000272025124 351449915 /nfs/dbraw/zinc/44/99/15/351449915.db2.gz NVZYFGDBNHBSDQ-UHFFFAOYSA-N 0 3 242.366 3.025 20 30 BGEDHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041561 388419227 /nfs/dbraw/zinc/41/92/27/388419227.db2.gz LMDLDOMDWPIASR-NOZJJQNGSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041564 388419233 /nfs/dbraw/zinc/41/92/33/388419233.db2.gz LMDLDOMDWPIASR-RNCFNFMXSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041566 388419341 /nfs/dbraw/zinc/41/93/41/388419341.db2.gz LMDLDOMDWPIASR-TVQRCGJNSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](N[C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041569 388419136 /nfs/dbraw/zinc/41/91/36/388419136.db2.gz LMDLDOMDWPIASR-ZANVPECISA-N 0 3 232.302 3.146 20 30 BGEDHN CC(C)(C#N)CCNC1(c2cccc(F)c2)CC1 ZINC000272044165 351451039 /nfs/dbraw/zinc/45/10/39/351451039.db2.gz RTVLWDDCAZUZQL-UHFFFAOYSA-N 0 3 246.329 3.344 20 30 BGEDHN CC(C)(C#N)CCNC1(c2ccccc2)CC1 ZINC000272049120 351451472 /nfs/dbraw/zinc/45/14/72/351451472.db2.gz SXPBOOGRDPREQQ-UHFFFAOYSA-N 0 3 228.339 3.205 20 30 BGEDHN CC(C)N(CCC(C)(C)C#N)Cc1ccco1 ZINC000272065496 351452227 /nfs/dbraw/zinc/45/22/27/351452227.db2.gz XNPMOKLLLRLSSL-UHFFFAOYSA-N 0 3 234.343 3.430 20 30 BGEDHN C#CC[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000272072553 351453492 /nfs/dbraw/zinc/45/34/92/351453492.db2.gz ZPFQAYOWKHOIKP-HNNXBMFYSA-N 0 3 240.350 3.280 20 30 BGEDHN C#CC[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000272072555 351453397 /nfs/dbraw/zinc/45/33/97/351453397.db2.gz ZPFQAYOWKHOIKP-OAHLLOKOSA-N 0 3 240.350 3.280 20 30 BGEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCCCC#N ZINC000272150746 351457384 /nfs/dbraw/zinc/45/73/84/351457384.db2.gz XFIDNACXHPDTNJ-ABAIWWIYSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCCC#N ZINC000272150749 133542295 /nfs/dbraw/zinc/54/22/95/133542295.db2.gz XFIDNACXHPDTNJ-IAQYHMDHSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCCCC#N ZINC000272150755 351456935 /nfs/dbraw/zinc/45/69/35/351456935.db2.gz XFIDNACXHPDTNJ-NHYWBVRUSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCCCC#N ZINC000272150761 351457223 /nfs/dbraw/zinc/45/72/23/351457223.db2.gz XFIDNACXHPDTNJ-XHDPSFHLSA-N 0 3 246.329 3.342 20 30 BGEDHN C=C(Cl)CNC[C@@H](C)c1ccc(F)cc1 ZINC000272155493 188263290 /nfs/dbraw/zinc/26/32/90/188263290.db2.gz YZHJDYYCLKGHIW-SECBINFHSA-N 0 3 227.710 3.271 20 30 BGEDHN C=C(Cl)CNC[C@H](C)c1ccc(F)cc1 ZINC000272155496 389029474 /nfs/dbraw/zinc/02/94/74/389029474.db2.gz YZHJDYYCLKGHIW-VIFPVBQESA-N 0 3 227.710 3.271 20 30 BGEDHN C=CCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000272214471 166257749 /nfs/dbraw/zinc/25/77/49/166257749.db2.gz DUTLFEHKJMZUNP-UHFFFAOYSA-N 0 3 229.245 3.112 20 30 BGEDHN C=CCN(CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000272261388 166341107 /nfs/dbraw/zinc/34/11/07/166341107.db2.gz MYAZKPOUGFQBJC-UHFFFAOYSA-N 0 3 247.313 3.049 20 30 BGEDHN C=CCN(CCc1ccco1)CCC(C)(C)C#N ZINC000272302575 385892910 /nfs/dbraw/zinc/89/29/10/385892910.db2.gz PYQAVGAPSRLQSR-UHFFFAOYSA-N 0 3 246.354 3.250 20 30 BGEDHN C=CCN(CCCSC)CCc1ccco1 ZINC000272327098 166341742 /nfs/dbraw/zinc/34/17/42/166341742.db2.gz VJOGDJIRBJJYKK-UHFFFAOYSA-N 0 3 239.384 3.063 20 30 BGEDHN C=CCOCCN[C@H](C)c1cccc(Cl)c1 ZINC000272379760 387449819 /nfs/dbraw/zinc/44/98/19/387449819.db2.gz BGXQLXBJGZENTL-LLVKDONJSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCOCCN[C@@H](C)c1cccc(Cl)c1 ZINC000272379762 387451982 /nfs/dbraw/zinc/45/19/82/387451982.db2.gz BGXQLXBJGZENTL-NSHDSACASA-N 0 3 239.746 3.193 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)CC12CCC2 ZINC000272395885 176174448 /nfs/dbraw/zinc/17/44/48/176174448.db2.gz WAEDGCWABDAPJO-GFCCVEGCSA-N 0 3 244.338 3.163 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)o2)CC12CCC2 ZINC000272395888 177163546 /nfs/dbraw/zinc/16/35/46/177163546.db2.gz WAEDGCWABDAPJO-LBPRGKRZSA-N 0 3 244.338 3.163 20 30 BGEDHN C=CCOCCN[C@H](C)c1ccccc1Cl ZINC000272419670 387451296 /nfs/dbraw/zinc/45/12/96/387451296.db2.gz HRLBJRUVHMNXLB-LLVKDONJSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCOCCN[C@@H](C)c1ccccc1Cl ZINC000272419672 398146629 /nfs/dbraw/zinc/14/66/29/398146629.db2.gz HRLBJRUVHMNXLB-NSHDSACASA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCOCCN[C@H](C)c1ccc(Cl)cc1 ZINC000272429788 387452453 /nfs/dbraw/zinc/45/24/53/387452453.db2.gz JHDQREUGWSUISQ-LLVKDONJSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCOCCN[C@@H](C)c1ccc(Cl)cc1 ZINC000272429789 387452512 /nfs/dbraw/zinc/45/25/12/387452512.db2.gz JHDQREUGWSUISQ-NSHDSACASA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCOCCN[C@H](C)c1cc2ccccc2o1 ZINC000272518774 398148032 /nfs/dbraw/zinc/14/80/32/398148032.db2.gz HKBHVXKTYCMDIO-GFCCVEGCSA-N 0 3 245.322 3.286 20 30 BGEDHN C=CCOCCN[C@@H](C)c1cc2ccccc2o1 ZINC000272518777 398148272 /nfs/dbraw/zinc/14/82/72/398148272.db2.gz HKBHVXKTYCMDIO-LBPRGKRZSA-N 0 3 245.322 3.286 20 30 BGEDHN Cc1ccc(CCN2CCC(C)(C#N)CC2)cc1 ZINC000272530877 351483086 /nfs/dbraw/zinc/48/30/86/351483086.db2.gz ILKDWIWKTZFQKM-UHFFFAOYSA-N 0 3 242.366 3.163 20 30 BGEDHN Cc1cccc(CN2CCC(C)(C#N)CC2)c1C ZINC000272544526 351484315 /nfs/dbraw/zinc/48/43/15/351484315.db2.gz PWGSLUIWJBPHPF-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN C[C@@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272548272 364751020 /nfs/dbraw/zinc/75/10/20/364751020.db2.gz KNDMRCVSDDBKJS-AWEZNQCLSA-N 0 3 242.366 3.416 20 30 BGEDHN C[C@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272548276 135366261 /nfs/dbraw/zinc/36/62/61/135366261.db2.gz KNDMRCVSDDBKJS-CQSZACIVSA-N 0 3 242.366 3.416 20 30 BGEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)c(C)c1 ZINC000272561330 351485588 /nfs/dbraw/zinc/48/55/88/351485588.db2.gz UBRDPESURKQBGP-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)s1 ZINC000272574754 351486745 /nfs/dbraw/zinc/48/67/45/351486745.db2.gz WTTGJNLEHOMFPJ-UHFFFAOYSA-N 0 3 234.368 3.182 20 30 BGEDHN Cc1ccsc1CN1CCC(C)(C#N)CC1 ZINC000272578032 351486752 /nfs/dbraw/zinc/48/67/52/351486752.db2.gz XMMUWNLADWKLON-UHFFFAOYSA-N 0 3 234.368 3.182 20 30 BGEDHN Cc1cc(CN2CCC(C)(C#N)CC2)c(C)s1 ZINC000272588452 351486378 /nfs/dbraw/zinc/48/63/78/351486378.db2.gz PEMZRMKYZKYLOI-UHFFFAOYSA-N 0 3 248.395 3.491 20 30 BGEDHN C=CCOCCN[C@H](C)c1cc(C)sc1C ZINC000272606673 398148073 /nfs/dbraw/zinc/14/80/73/398148073.db2.gz VKLNXMJFMQBXCZ-LLVKDONJSA-N 0 3 239.384 3.218 20 30 BGEDHN C=CCOCCN[C@@H](C)c1cc(C)sc1C ZINC000272606675 398147956 /nfs/dbraw/zinc/14/79/56/398147956.db2.gz VKLNXMJFMQBXCZ-NSHDSACASA-N 0 3 239.384 3.218 20 30 BGEDHN CC(C)C[C@H](NCCCC#N)c1ccccn1 ZINC000272883588 351500602 /nfs/dbraw/zinc/50/06/02/351500602.db2.gz WEMAUSKXHMCMPN-AWEZNQCLSA-N 0 3 231.343 3.062 20 30 BGEDHN CC(C)C[C@@H](NCCCC#N)c1ccccn1 ZINC000272883591 351500583 /nfs/dbraw/zinc/50/05/83/351500583.db2.gz WEMAUSKXHMCMPN-CQSZACIVSA-N 0 3 231.343 3.062 20 30 BGEDHN N#CCCCNCc1cc2ccccc2s1 ZINC000273021877 135366135 /nfs/dbraw/zinc/36/61/35/135366135.db2.gz DUBNFKZLWDMOIH-UHFFFAOYSA-N 0 3 230.336 3.295 20 30 BGEDHN Cc1oc2ccccc2c1CNCCCC#N ZINC000273041496 136283146 /nfs/dbraw/zinc/28/31/46/136283146.db2.gz IRIVDKWXROPLAH-UHFFFAOYSA-N 0 3 228.295 3.135 20 30 BGEDHN CC[C@@H](NCCCC#N)c1ccc(F)cc1 ZINC000273052824 535803473 /nfs/dbraw/zinc/80/34/73/535803473.db2.gz XIKQGCJBQRMDJH-CYBMUJFWSA-N 0 3 220.291 3.170 20 30 BGEDHN CC[C@H](NCCCC#N)c1ccc(F)cc1 ZINC000273052825 535900064 /nfs/dbraw/zinc/90/00/64/535900064.db2.gz XIKQGCJBQRMDJH-ZDUSSCGKSA-N 0 3 220.291 3.170 20 30 BGEDHN CC(C)(C)c1ccc(CNCCCC#N)s1 ZINC000273068021 136283250 /nfs/dbraw/zinc/28/32/50/136283250.db2.gz NVJXLROWXKGOGK-UHFFFAOYSA-N 0 3 236.384 3.439 20 30 BGEDHN CCc1oc2ccccc2c1CNCCCC#N ZINC000273080533 136283292 /nfs/dbraw/zinc/28/32/92/136283292.db2.gz QMXUUOAPTIVCSK-UHFFFAOYSA-N 0 3 242.322 3.389 20 30 BGEDHN N#CCCCNCc1cc(Cl)cc(Cl)c1 ZINC000273083022 135366178 /nfs/dbraw/zinc/36/61/78/135366178.db2.gz QYKDIYNFSDXNFE-UHFFFAOYSA-N 0 3 243.137 3.387 20 30 BGEDHN N#CCCCNCc1ccc(-c2ccccc2)o1 ZINC000273103808 385970154 /nfs/dbraw/zinc/97/01/54/385970154.db2.gz WCWLFAXLAGTJLL-UHFFFAOYSA-N 0 3 240.306 3.340 20 30 BGEDHN C=C1CCN(CCCOCc2ccccc2)CC1 ZINC000273162631 188262906 /nfs/dbraw/zinc/26/29/06/188262906.db2.gz BYCUFGUQEIUWOL-UHFFFAOYSA-N 0 3 245.366 3.245 20 30 BGEDHN CC[C@H](NCCCC#N)c1cc(C)ccc1OC ZINC000273171475 351512051 /nfs/dbraw/zinc/51/20/51/351512051.db2.gz CCMWZJJTYRMTFV-AWEZNQCLSA-N 0 3 246.354 3.348 20 30 BGEDHN CC[C@@H](NCCCC#N)c1cc(C)ccc1OC ZINC000273171480 351511877 /nfs/dbraw/zinc/51/18/77/351511877.db2.gz CCMWZJJTYRMTFV-CQSZACIVSA-N 0 3 246.354 3.348 20 30 BGEDHN N#CCCCN[C@H]1CCCc2cc(F)ccc21 ZINC000273176545 133544417 /nfs/dbraw/zinc/54/44/17/133544417.db2.gz CZWWFHHTLGEIOD-AWEZNQCLSA-N 0 3 232.302 3.096 20 30 BGEDHN N#CCCCN[C@@H]1CCCc2cc(F)ccc21 ZINC000273176546 351511757 /nfs/dbraw/zinc/51/17/57/351511757.db2.gz CZWWFHHTLGEIOD-CQSZACIVSA-N 0 3 232.302 3.096 20 30 BGEDHN CC1(C)Cc2occc2[C@H](NCCCC#N)C1 ZINC000273180722 351512968 /nfs/dbraw/zinc/51/29/68/351512968.db2.gz DVXUJKZXQAFFIZ-GFCCVEGCSA-N 0 3 232.327 3.186 20 30 BGEDHN CC1(C)Cc2occc2[C@@H](NCCCC#N)C1 ZINC000273180724 351512953 /nfs/dbraw/zinc/51/29/53/351512953.db2.gz DVXUJKZXQAFFIZ-LBPRGKRZSA-N 0 3 232.327 3.186 20 30 BGEDHN Cc1ccc2c(c1)OCCC[C@@H]2NCCCC#N ZINC000273188977 385977703 /nfs/dbraw/zinc/97/77/03/385977703.db2.gz GMBQMTLXHGDMTA-AWEZNQCLSA-N 0 3 244.338 3.102 20 30 BGEDHN Cc1ccc2c(c1)OCCC[C@H]2NCCCC#N ZINC000273188979 385976955 /nfs/dbraw/zinc/97/69/55/385976955.db2.gz GMBQMTLXHGDMTA-CQSZACIVSA-N 0 3 244.338 3.102 20 30 BGEDHN C[C@H](NCCCC#N)c1cnc2ccsc2c1 ZINC000273190096 133544840 /nfs/dbraw/zinc/54/48/40/133544840.db2.gz GPLXFYPDTBSLNG-JTQLQIEISA-N 0 3 245.351 3.251 20 30 BGEDHN C[C@@H](NCCCC#N)c1cnc2ccsc2c1 ZINC000273190100 385977583 /nfs/dbraw/zinc/97/75/83/385977583.db2.gz GPLXFYPDTBSLNG-SNVBAGLBSA-N 0 3 245.351 3.251 20 30 BGEDHN Cc1cccc2c1[C@@H](C)C[C@H]2NCCCC#N ZINC000273201553 136283587 /nfs/dbraw/zinc/28/35/87/136283587.db2.gz IUNGXIUIJJDQGH-GXTWGEPZSA-N 0 3 228.339 3.437 20 30 BGEDHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCCCC#N ZINC000273201554 136283687 /nfs/dbraw/zinc/28/36/87/136283687.db2.gz IUNGXIUIJJDQGH-JSGCOSHPSA-N 0 3 228.339 3.437 20 30 BGEDHN Cc1cccc2c1[C@H](C)C[C@@H]2NCCCC#N ZINC000273201556 136283939 /nfs/dbraw/zinc/28/39/39/136283939.db2.gz IUNGXIUIJJDQGH-OCCSQVGLSA-N 0 3 228.339 3.437 20 30 BGEDHN Cc1cccc2c1[C@H](C)C[C@H]2NCCCC#N ZINC000273201558 136283597 /nfs/dbraw/zinc/28/35/97/136283597.db2.gz IUNGXIUIJJDQGH-TZMCWYRMSA-N 0 3 228.339 3.437 20 30 BGEDHN C[C@@H](NCCCC#N)c1ccc2ccccc2n1 ZINC000273202950 136283647 /nfs/dbraw/zinc/28/36/47/136283647.db2.gz JDDLDOLJZSDGEX-GFCCVEGCSA-N 0 3 239.322 3.189 20 30 BGEDHN C[C@H](NCCCC#N)c1ccc2ccccc2n1 ZINC000273202953 136283603 /nfs/dbraw/zinc/28/36/03/136283603.db2.gz JDDLDOLJZSDGEX-LBPRGKRZSA-N 0 3 239.322 3.189 20 30 BGEDHN CCCOc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273248678 351514586 /nfs/dbraw/zinc/51/45/86/351514586.db2.gz KOMAOOWWXHRLOV-CYBMUJFWSA-N 0 3 246.354 3.430 20 30 BGEDHN CCCOc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273248683 351513914 /nfs/dbraw/zinc/51/39/14/351513914.db2.gz KOMAOOWWXHRLOV-ZDUSSCGKSA-N 0 3 246.354 3.430 20 30 BGEDHN COc1cc(C)c([C@@H](C)NCCCC#N)cc1C ZINC000273248691 351514561 /nfs/dbraw/zinc/51/45/61/351514561.db2.gz KPMXAQPXYCKWBL-CYBMUJFWSA-N 0 3 246.354 3.266 20 30 BGEDHN COc1cc(C)c([C@H](C)NCCCC#N)cc1C ZINC000273248693 351514066 /nfs/dbraw/zinc/51/40/66/351514066.db2.gz KPMXAQPXYCKWBL-ZDUSSCGKSA-N 0 3 246.354 3.266 20 30 BGEDHN CC1(C)C[C@H](NCCCC#N)c2ccccc21 ZINC000273250570 351514481 /nfs/dbraw/zinc/51/44/81/351514481.db2.gz KYWBNSGLDKZJOM-AWEZNQCLSA-N 0 3 228.339 3.302 20 30 BGEDHN CC1(C)C[C@@H](NCCCC#N)c2ccccc21 ZINC000273250572 351513969 /nfs/dbraw/zinc/51/39/69/351513969.db2.gz KYWBNSGLDKZJOM-CQSZACIVSA-N 0 3 228.339 3.302 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](CCOC)c1ccco1 ZINC000273262015 166294794 /nfs/dbraw/zinc/29/47/94/166294794.db2.gz KZDWTZSOJZKNHW-CHWSQXEVSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](CCOC)c1ccco1 ZINC000273262017 166294957 /nfs/dbraw/zinc/29/49/57/166294957.db2.gz KZDWTZSOJZKNHW-OLZOCXBDSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](C)N[C@H](CCOC)c1ccco1 ZINC000273262020 166302249 /nfs/dbraw/zinc/30/22/49/166302249.db2.gz KZDWTZSOJZKNHW-QWHCGFSZSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](CCOC)c1ccco1 ZINC000273262023 166300152 /nfs/dbraw/zinc/30/01/52/166300152.db2.gz KZDWTZSOJZKNHW-STQMWFEESA-N 0 3 237.343 3.302 20 30 BGEDHN Cc1ccsc1[C@H](C)NCCCC#N ZINC000273268435 135365932 /nfs/dbraw/zinc/36/59/32/135365932.db2.gz OBGBKEWJDHOFQI-JTQLQIEISA-N 0 3 208.330 3.011 20 30 BGEDHN Cc1ccsc1[C@@H](C)NCCCC#N ZINC000273268439 135366154 /nfs/dbraw/zinc/36/61/54/135366154.db2.gz OBGBKEWJDHOFQI-SNVBAGLBSA-N 0 3 208.330 3.011 20 30 BGEDHN Cc1ccc2c(c1)[C@@H](NCCCC#N)CCC2 ZINC000273282916 351515251 /nfs/dbraw/zinc/51/52/51/351515251.db2.gz QTTBLMZBAOICQI-HNNXBMFYSA-N 0 3 228.339 3.266 20 30 BGEDHN Cc1ccc2c(c1)[C@H](NCCCC#N)CCC2 ZINC000273282919 133545068 /nfs/dbraw/zinc/54/50/68/133545068.db2.gz QTTBLMZBAOICQI-OAHLLOKOSA-N 0 3 228.339 3.266 20 30 BGEDHN CCC[C@H](NCCCC#N)c1ccc(OC)cc1 ZINC000273291572 351515161 /nfs/dbraw/zinc/51/51/61/351515161.db2.gz SGPOZULZHFGQCF-HNNXBMFYSA-N 0 3 246.354 3.430 20 30 BGEDHN CCC[C@@H](NCCCC#N)c1ccc(OC)cc1 ZINC000273291573 351515421 /nfs/dbraw/zinc/51/54/21/351515421.db2.gz SGPOZULZHFGQCF-OAHLLOKOSA-N 0 3 246.354 3.430 20 30 BGEDHN N#CCCCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000273305829 181036492 /nfs/dbraw/zinc/03/64/92/181036492.db2.gz VSMKZAZOINEGRE-CYBMUJFWSA-N 0 3 234.730 3.221 20 30 BGEDHN N#CCCCN[C@H]1CCc2cc(Cl)ccc21 ZINC000273305832 181036572 /nfs/dbraw/zinc/03/65/72/181036572.db2.gz VSMKZAZOINEGRE-ZDUSSCGKSA-N 0 3 234.730 3.221 20 30 BGEDHN CCN(C)c1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273314857 136284115 /nfs/dbraw/zinc/28/41/15/136284115.db2.gz XVHSFZXOUUZSJF-CYBMUJFWSA-N 0 3 245.370 3.097 20 30 BGEDHN CCN(C)c1ccc([C@H](C)NCCCC#N)cc1 ZINC000273314859 535765351 /nfs/dbraw/zinc/76/53/51/535765351.db2.gz XVHSFZXOUUZSJF-ZDUSSCGKSA-N 0 3 245.370 3.097 20 30 BGEDHN C=CCCCN[C@H](C)c1csc(C)n1 ZINC000273334526 166244278 /nfs/dbraw/zinc/24/42/78/166244278.db2.gz VASUZYUOXDRPQO-SECBINFHSA-N 0 3 210.346 3.068 20 30 BGEDHN C=CCCCN[C@@H](C)c1csc(C)n1 ZINC000273334527 166242354 /nfs/dbraw/zinc/24/23/54/166242354.db2.gz VASUZYUOXDRPQO-VIFPVBQESA-N 0 3 210.346 3.068 20 30 BGEDHN C=CCN(Cc1cnc2ccccc2c1)C1CC1 ZINC000273368012 166348554 /nfs/dbraw/zinc/34/85/54/166348554.db2.gz DQNTWODMYXZDMU-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CCN(Cc1cccc2cc[nH]c21)C1CC1 ZINC000273369960 166346649 /nfs/dbraw/zinc/34/66/49/166346649.db2.gz FBIOYWPMZSFMTJ-UHFFFAOYSA-N 0 3 226.323 3.318 20 30 BGEDHN C=CCN(CC1=Cc2ccccc2OC1)C1CC1 ZINC000273374449 166326047 /nfs/dbraw/zinc/32/60/47/166326047.db2.gz FTRMLUCNFFSVTH-UHFFFAOYSA-N 0 3 241.334 3.113 20 30 BGEDHN Cc1cc(NCCCC#N)c2ccccc2n1 ZINC000273410433 351528723 /nfs/dbraw/zinc/52/87/23/351528723.db2.gz XKTWNGRTLQDDDI-UHFFFAOYSA-N 0 3 225.295 3.259 20 30 BGEDHN C=CCN(Cc1sccc1C)C1CC1 ZINC000273464527 166349621 /nfs/dbraw/zinc/34/96/21/166349621.db2.gz IFDIGMPUBIJQKZ-UHFFFAOYSA-N 0 3 207.342 3.207 20 30 BGEDHN C=CCN(Cc1ccc2ncccc2c1)C1CC1 ZINC000273466355 166346663 /nfs/dbraw/zinc/34/66/63/166346663.db2.gz INTZJSIDOGZIAP-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C#CCCN[C@H](CC)c1ccc(Cl)s1 ZINC000273486984 166149297 /nfs/dbraw/zinc/14/92/97/166149297.db2.gz JMGHKMJUBYKINE-SECBINFHSA-N 0 3 227.760 3.466 20 30 BGEDHN C#CCCN[C@@H](CC)c1ccc(Cl)s1 ZINC000273486985 385768568 /nfs/dbraw/zinc/76/85/68/385768568.db2.gz JMGHKMJUBYKINE-VIFPVBQESA-N 0 3 227.760 3.466 20 30 BGEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273519306 387459540 /nfs/dbraw/zinc/45/95/40/387459540.db2.gz TZCSGRIBUPBCJY-AWEZNQCLSA-N 0 3 245.366 3.463 20 30 BGEDHN C#CCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273519308 188091579 /nfs/dbraw/zinc/09/15/79/188091579.db2.gz TZCSGRIBUPBCJY-CQSZACIVSA-N 0 3 245.366 3.463 20 30 BGEDHN C=CCN(Cc1cccc2[nH]ccc21)C1CC1 ZINC000273534346 166346210 /nfs/dbraw/zinc/34/62/10/166346210.db2.gz VTXVRWSCMYRTCA-UHFFFAOYSA-N 0 3 226.323 3.318 20 30 BGEDHN C=CCN(Cc1ccc(C)s1)C1CC1 ZINC000273534690 166345429 /nfs/dbraw/zinc/34/54/29/166345429.db2.gz WASHQNKYFUPAAG-UHFFFAOYSA-N 0 3 207.342 3.207 20 30 BGEDHN C=CCC[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000273569503 166294581 /nfs/dbraw/zinc/29/45/81/166294581.db2.gz KIDLKUZTWKTNHD-CYBMUJFWSA-N 0 3 243.354 3.087 20 30 BGEDHN C=CCC[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000273569504 166300076 /nfs/dbraw/zinc/30/00/76/166300076.db2.gz KIDLKUZTWKTNHD-ZDUSSCGKSA-N 0 3 243.354 3.087 20 30 BGEDHN Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c([O-])c1C ZINC000273586169 351537360 /nfs/dbraw/zinc/53/73/60/351537360.db2.gz NVRWMLGSZNEJEM-CYBMUJFWSA-N 0 3 246.354 3.354 20 30 BGEDHN Cc1ccc([C@H](C)[NH2+]CCCCC#N)c([O-])c1C ZINC000273586172 133545997 /nfs/dbraw/zinc/54/59/97/133545997.db2.gz NVRWMLGSZNEJEM-ZDUSSCGKSA-N 0 3 246.354 3.354 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)o2)CC1(C)C ZINC000273776268 176173823 /nfs/dbraw/zinc/17/38/23/176173823.db2.gz RXDBLMANFKSITK-LLVKDONJSA-N 0 3 232.327 3.019 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)o2)CC1(C)C ZINC000273776270 177163709 /nfs/dbraw/zinc/16/37/09/177163709.db2.gz RXDBLMANFKSITK-NSHDSACASA-N 0 3 232.327 3.019 20 30 BGEDHN Cc1csc(C2(NCCCCC#N)CCC2)n1 ZINC000274002478 351556747 /nfs/dbraw/zinc/55/67/47/351556747.db2.gz KYEIXTPKYXGAMG-UHFFFAOYSA-N 0 3 249.383 3.114 20 30 BGEDHN CC#CCCN1CCc2sccc2[C@H]1C ZINC000274054639 398149425 /nfs/dbraw/zinc/14/94/25/398149425.db2.gz HDDLKUBBCWFEFT-LLVKDONJSA-N 0 3 219.353 3.081 20 30 BGEDHN CC#CCCN1CCc2sccc2[C@@H]1C ZINC000274054642 192399748 /nfs/dbraw/zinc/39/97/48/192399748.db2.gz HDDLKUBBCWFEFT-NSHDSACASA-N 0 3 219.353 3.081 20 30 BGEDHN CC#CCCN1CCC[C@@H]1c1ccsc1 ZINC000274119645 192399780 /nfs/dbraw/zinc/39/97/80/192399780.db2.gz YIRYBNYLDCLMKM-CYBMUJFWSA-N 0 3 219.353 3.298 20 30 BGEDHN CC#CCCN1CCC[C@H]1c1ccsc1 ZINC000274119647 398150622 /nfs/dbraw/zinc/15/06/22/398150622.db2.gz YIRYBNYLDCLMKM-ZDUSSCGKSA-N 0 3 219.353 3.298 20 30 BGEDHN C#CCN(CC)Cc1ccc(C(F)F)cc1 ZINC000274137054 188091667 /nfs/dbraw/zinc/09/16/67/188091667.db2.gz JFVSKAKXBQHAFP-UHFFFAOYSA-N 0 3 223.266 3.079 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000274173272 136375262 /nfs/dbraw/zinc/37/52/62/136375262.db2.gz CCYHNVRQRCMKEN-NEPJUHHUSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000274173275 389046021 /nfs/dbraw/zinc/04/60/21/389046021.db2.gz CCYHNVRQRCMKEN-NWDGAFQWSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000274173277 389046521 /nfs/dbraw/zinc/04/65/21/389046521.db2.gz CCYHNVRQRCMKEN-RYUDHWBXSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000274173280 136375361 /nfs/dbraw/zinc/37/53/61/136375361.db2.gz CCYHNVRQRCMKEN-VXGBXAGGSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1cc(Cl)ccc1CNCCCC#N ZINC000274264683 136375321 /nfs/dbraw/zinc/37/53/21/136375321.db2.gz CFJSEDYIQHOUFC-UHFFFAOYSA-N 0 3 222.719 3.042 20 30 BGEDHN CCCCOc1ccccc1CNCCCC#N ZINC000274319602 487661130 /nfs/dbraw/zinc/66/11/30/487661130.db2.gz SWPUAVWPKZJHOU-UHFFFAOYSA-N 0 3 246.354 3.259 20 30 BGEDHN C=CCCCCN[C@@H](C)c1nccs1 ZINC000274409215 387477870 /nfs/dbraw/zinc/47/78/70/387477870.db2.gz DAYZNOBIODVRQD-JTQLQIEISA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCN[C@H](C)c1nccs1 ZINC000274409217 389046322 /nfs/dbraw/zinc/04/63/22/389046322.db2.gz DAYZNOBIODVRQD-SNVBAGLBSA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCN[C@@H](C)c1cscn1 ZINC000274419644 188264690 /nfs/dbraw/zinc/26/46/90/188264690.db2.gz GUIOLTOWGJJDGG-JTQLQIEISA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCN[C@H](C)c1cscn1 ZINC000274419646 389047230 /nfs/dbraw/zinc/04/72/30/389047230.db2.gz GUIOLTOWGJJDGG-SNVBAGLBSA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCNCc1cccnc1Cl ZINC000274422007 387478406 /nfs/dbraw/zinc/47/84/06/387478406.db2.gz HPSLHFBCCLGOTG-UHFFFAOYSA-N 0 3 224.735 3.181 20 30 BGEDHN CCSc1cccc(CNCCCC#N)c1 ZINC000274468203 535741586 /nfs/dbraw/zinc/74/15/86/535741586.db2.gz UXCJNBVJGQURAX-UHFFFAOYSA-N 0 3 234.368 3.192 20 30 BGEDHN C=CCCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000274486819 386200739 /nfs/dbraw/zinc/20/07/39/386200739.db2.gz NVQXLPAASOLVAE-UHFFFAOYSA-N 0 3 219.328 3.147 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274519762 136375309 /nfs/dbraw/zinc/37/53/09/136375309.db2.gz OPTHFHBZMCTAPN-OUCADQQQSA-N 0 3 214.312 3.029 20 30 BGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274519764 389046328 /nfs/dbraw/zinc/04/63/28/389046328.db2.gz OPTHFHBZMCTAPN-SCRDCRAPSA-N 0 3 214.312 3.029 20 30 BGEDHN Cc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274549659 351572569 /nfs/dbraw/zinc/57/25/69/351572569.db2.gz WCFXLHYBWUSUSL-MELADBBJSA-N 0 3 228.339 3.338 20 30 BGEDHN C=CCCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000274574071 389047070 /nfs/dbraw/zinc/04/70/70/389047070.db2.gz JKNQEHSPRSDDNU-GFCCVEGCSA-N 0 3 249.354 3.408 20 30 BGEDHN C=CCCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000274574078 389046263 /nfs/dbraw/zinc/04/62/63/389046263.db2.gz JKNQEHSPRSDDNU-LBPRGKRZSA-N 0 3 249.354 3.408 20 30 BGEDHN C=CCCCCNCc1cccc(OC)c1OC ZINC000274575503 389046383 /nfs/dbraw/zinc/04/63/83/389046383.db2.gz JLUZLYPUTJWICL-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=CCCCCNCc1ccccc1[N+](=O)[O-] ZINC000274584580 389046306 /nfs/dbraw/zinc/04/63/06/389046306.db2.gz LYIIHKZSETUQLD-UHFFFAOYSA-N 0 3 234.299 3.041 20 30 BGEDHN C=CCCCCNCc1ccc(C#N)cc1F ZINC000274585688 188264647 /nfs/dbraw/zinc/26/46/47/188264647.db2.gz LZOYXOVGDYDEDG-UHFFFAOYSA-N 0 3 232.302 3.143 20 30 BGEDHN C=CCCCCNCc1csc([N+](=O)[O-])c1 ZINC000274586040 188264806 /nfs/dbraw/zinc/26/48/06/188264806.db2.gz MEVYDKBIAANFSR-UHFFFAOYSA-N 0 3 240.328 3.102 20 30 BGEDHN Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274592559 136285315 /nfs/dbraw/zinc/28/53/15/136285315.db2.gz FPIUPAQBADTYRZ-GUTXKFCHSA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274592561 136285310 /nfs/dbraw/zinc/28/53/10/136285310.db2.gz FPIUPAQBADTYRZ-GZBFAFLISA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274592563 136285281 /nfs/dbraw/zinc/28/52/81/136285281.db2.gz FPIUPAQBADTYRZ-KCQAQPDRSA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000274592566 136285295 /nfs/dbraw/zinc/28/52/95/136285295.db2.gz FPIUPAQBADTYRZ-YDHLFZDLSA-N 0 3 228.339 3.338 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000274599422 386125897 /nfs/dbraw/zinc/12/58/97/386125897.db2.gz HIPUPFNVJAUCLS-AVGNSLFASA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000274599425 386127551 /nfs/dbraw/zinc/12/75/51/386127551.db2.gz HIPUPFNVJAUCLS-RWMBFGLXSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000274599428 133548342 /nfs/dbraw/zinc/54/83/42/133548342.db2.gz HIPUPFNVJAUCLS-XQQFMLRXSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000274599431 386126966 /nfs/dbraw/zinc/12/69/66/386126966.db2.gz HIPUPFNVJAUCLS-YNEHKIRRSA-N 0 3 244.338 3.038 20 30 BGEDHN C=CCCCCN[C@H](C)c1ccc(F)cn1 ZINC000274602320 386250444 /nfs/dbraw/zinc/25/04/44/386250444.db2.gz QGJCURCRKAHDMZ-LLVKDONJSA-N 0 3 222.307 3.228 20 30 BGEDHN C=CCCCCN[C@@H](C)c1ccc(F)cn1 ZINC000274602322 386249633 /nfs/dbraw/zinc/24/96/33/386249633.db2.gz QGJCURCRKAHDMZ-NSHDSACASA-N 0 3 222.307 3.228 20 30 BGEDHN COc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000274604246 351574283 /nfs/dbraw/zinc/57/42/83/351574283.db2.gz IQSZWSLBLSBSCD-OBJOEFQTSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274604249 351573862 /nfs/dbraw/zinc/57/38/62/351573862.db2.gz IQSZWSLBLSBSCD-OUCADQQQSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000274604251 351574082 /nfs/dbraw/zinc/57/40/82/351574082.db2.gz IQSZWSLBLSBSCD-SCRDCRAPSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000274604253 351574251 /nfs/dbraw/zinc/57/42/51/351574251.db2.gz IQSZWSLBLSBSCD-SGMGOOAPSA-N 0 3 244.338 3.038 20 30 BGEDHN C=CCCCCNCc1csc(CC)n1 ZINC000274604594 188265039 /nfs/dbraw/zinc/26/50/39/188265039.db2.gz RAVUXZNUPKAQNW-UHFFFAOYSA-N 0 3 224.373 3.151 20 30 BGEDHN C=CCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000274620374 389048123 /nfs/dbraw/zinc/04/81/23/389048123.db2.gz WIKFGKCWSUMSDW-UHFFFAOYSA-N 0 3 219.328 3.147 20 30 BGEDHN C=CCCCCN[C@H](C)c1ccccn1 ZINC000274622520 389048036 /nfs/dbraw/zinc/04/80/36/389048036.db2.gz WYNNRVKLMDJJRX-GFCCVEGCSA-N 0 3 204.317 3.089 20 30 BGEDHN C=CCCCCN[C@@H](C)c1ccccn1 ZINC000274622521 389047934 /nfs/dbraw/zinc/04/79/34/389047934.db2.gz WYNNRVKLMDJJRX-LBPRGKRZSA-N 0 3 204.317 3.089 20 30 BGEDHN C=CCCCCNCc1nc2ccccc2n1C ZINC000274624653 188264933 /nfs/dbraw/zinc/26/49/33/188264933.db2.gz XNMLYBLKNQAUEU-UHFFFAOYSA-N 0 3 243.354 3.019 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000274631281 135367254 /nfs/dbraw/zinc/36/72/54/135367254.db2.gz PALBUWGHJVKCAH-GARJFASQSA-N 0 3 220.341 3.091 20 30 BGEDHN C=CCCCCN[C@@H](C)c1csc(C)n1 ZINC000274631593 386261268 /nfs/dbraw/zinc/26/12/68/386261268.db2.gz ZQALROMICBYMLT-JTQLQIEISA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCCN[C@H](C)c1csc(C)n1 ZINC000274631595 517324862 /nfs/dbraw/zinc/32/48/62/517324862.db2.gz ZQALROMICBYMLT-SNVBAGLBSA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000274631694 386261244 /nfs/dbraw/zinc/26/12/44/386261244.db2.gz ZTHIIMIUEQENJL-GFCCVEGCSA-N 0 3 219.328 3.399 20 30 BGEDHN C=CCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000274631697 386262252 /nfs/dbraw/zinc/26/22/52/386262252.db2.gz ZTHIIMIUEQENJL-LBPRGKRZSA-N 0 3 219.328 3.399 20 30 BGEDHN C=CCCCCN[C@@H](C)c1cncs1 ZINC000274632212 187749074 /nfs/dbraw/zinc/74/90/74/187749074.db2.gz ZWGXJDBTQDJWCC-JTQLQIEISA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCN[C@H](C)c1cncs1 ZINC000274632214 188265114 /nfs/dbraw/zinc/26/51/14/188265114.db2.gz ZWGXJDBTQDJWCC-SNVBAGLBSA-N 0 3 210.346 3.150 20 30 BGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000274651821 133548357 /nfs/dbraw/zinc/54/83/57/133548357.db2.gz SXSAUXQVWYZNKF-OBJOEFQTSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274651825 351575838 /nfs/dbraw/zinc/57/58/38/351575838.db2.gz SXSAUXQVWYZNKF-OUCADQQQSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274651827 351575826 /nfs/dbraw/zinc/57/58/26/351575826.db2.gz SXSAUXQVWYZNKF-SCRDCRAPSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274651831 351575409 /nfs/dbraw/zinc/57/54/09/351575409.db2.gz SXSAUXQVWYZNKF-SGMGOOAPSA-N 0 3 244.338 3.038 20 30 BGEDHN C=C(C)CCN(C)Cc1cc(OC)cc(OC)c1 ZINC000274730397 188092807 /nfs/dbraw/zinc/09/28/07/188092807.db2.gz BXYCYBJDJDXARX-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN CCCc1cccc(CNCCCC#N)c1 ZINC000274735124 535432004 /nfs/dbraw/zinc/43/20/04/535432004.db2.gz BQZCREJVACZPLZ-UHFFFAOYSA-N 0 3 216.328 3.032 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274746509 187338429 /nfs/dbraw/zinc/33/84/29/187338429.db2.gz AVFVLQAZDQVERO-NXEZZACHSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274746510 398163619 /nfs/dbraw/zinc/16/36/19/398163619.db2.gz AVFVLQAZDQVERO-UWVGGRQHSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274746511 398163465 /nfs/dbraw/zinc/16/34/65/398163465.db2.gz AVFVLQAZDQVERO-VHSXEESVSA-N 0 3 224.735 3.350 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274746512 398162906 /nfs/dbraw/zinc/16/29/06/398162906.db2.gz AVFVLQAZDQVERO-ZJUUUORDSA-N 0 3 224.735 3.350 20 30 BGEDHN C=C(C)CCN(Cc1ccco1)C(C)C ZINC000274759782 387491879 /nfs/dbraw/zinc/49/18/79/387491879.db2.gz DFDUEWCISJKIOF-UHFFFAOYSA-N 0 3 207.317 3.456 20 30 BGEDHN C=C(C)CCN(C)Cc1cc(Cl)cn1C ZINC000274759844 387491816 /nfs/dbraw/zinc/49/18/16/387491816.db2.gz DHEOJXIYZPCIIR-UHFFFAOYSA-N 0 3 226.751 3.077 20 30 BGEDHN C=C(C)CCN1CCc2sccc2C1 ZINC000274766367 387489102 /nfs/dbraw/zinc/48/91/02/387489102.db2.gz LINHJDKBYYISFS-UHFFFAOYSA-N 0 3 207.342 3.072 20 30 BGEDHN C=C(C)CCN(CCOC)Cc1ccc(C)o1 ZINC000274769073 387491346 /nfs/dbraw/zinc/49/13/46/387491346.db2.gz GZYSQEOSONWYBB-UHFFFAOYSA-N 0 3 237.343 3.003 20 30 BGEDHN C=C(C)CCN(C)Cc1ccccc1OC ZINC000274776136 188092990 /nfs/dbraw/zinc/09/29/90/188092990.db2.gz OCJBBLSSSCRULK-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(C)CCN[C@](C)(CC)c1nccs1 ZINC000274780412 398164458 /nfs/dbraw/zinc/16/44/58/398164458.db2.gz KLTDLFAGKMUQSY-GFCCVEGCSA-N 0 3 224.373 3.324 20 30 BGEDHN C=C(C)CCN[C@@](C)(CC)c1nccs1 ZINC000274780414 188092326 /nfs/dbraw/zinc/09/23/26/188092326.db2.gz KLTDLFAGKMUQSY-LBPRGKRZSA-N 0 3 224.373 3.324 20 30 BGEDHN C=C(C)CCNC(C)(C)c1ncc(C)s1 ZINC000274786377 398164528 /nfs/dbraw/zinc/16/45/28/398164528.db2.gz AUYFFDJXDRNTBH-UHFFFAOYSA-N 0 3 224.373 3.242 20 30 BGEDHN C=C(C)CCN(C)[C@H](C)c1ccccn1 ZINC000274787832 187238363 /nfs/dbraw/zinc/23/83/63/187238363.db2.gz BIVYPRWSIBCENV-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN(C)[C@@H](C)c1ccccn1 ZINC000274787836 188092602 /nfs/dbraw/zinc/09/26/02/188092602.db2.gz BIVYPRWSIBCENV-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000274788841 387489837 /nfs/dbraw/zinc/48/98/37/387489837.db2.gz NKWIJRARRHDIPG-INIZCTEOSA-N 0 3 245.366 3.198 20 30 BGEDHN C=C(C)CCN(C)C[C@H]1OCCc2ccccc21 ZINC000274788843 187237863 /nfs/dbraw/zinc/23/78/63/187237863.db2.gz NKWIJRARRHDIPG-MRXNPFEDSA-N 0 3 245.366 3.198 20 30 BGEDHN C=C(C)CCNC1(c2nccs2)CCCC1 ZINC000274792956 188092422 /nfs/dbraw/zinc/09/24/22/188092422.db2.gz ONKWFYOMQGGBAL-UHFFFAOYSA-N 0 3 236.384 3.468 20 30 BGEDHN C=C(C)CCN(Cc1ccncc1)C1CC1 ZINC000274794066 188092941 /nfs/dbraw/zinc/09/29/41/188092941.db2.gz CWWYOLAYIALRSG-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN C=C(C)CCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000274801224 387495844 /nfs/dbraw/zinc/49/58/44/387495844.db2.gz VFISDYXXDFRUAF-HNNXBMFYSA-N 0 3 249.354 3.227 20 30 BGEDHN C=C(C)CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000274801227 188092288 /nfs/dbraw/zinc/09/22/88/188092288.db2.gz VFISDYXXDFRUAF-OAHLLOKOSA-N 0 3 249.354 3.227 20 30 BGEDHN C=C(C)CCN(C)Cc1ccc(OC)cc1OC ZINC000274814429 188266079 /nfs/dbraw/zinc/26/60/79/188266079.db2.gz YSSAYZSGIVXAEI-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=C(C)CCN[C@H](CC)c1nc(C)cs1 ZINC000274816160 389049368 /nfs/dbraw/zinc/04/93/68/389049368.db2.gz IYXLZOGZNSRQIK-LLVKDONJSA-N 0 3 224.373 3.458 20 30 BGEDHN C=C(C)CCN[C@@H](CC)c1nc(C)cs1 ZINC000274816162 188264706 /nfs/dbraw/zinc/26/47/06/188264706.db2.gz IYXLZOGZNSRQIK-NSHDSACASA-N 0 3 224.373 3.458 20 30 BGEDHN C=C(C)CCNC(C)(C)c1nc(C)cs1 ZINC000274816249 389050037 /nfs/dbraw/zinc/05/00/37/389050037.db2.gz WVEJOOQVQYAZKG-UHFFFAOYSA-N 0 3 224.373 3.242 20 30 BGEDHN C=C(C)CCN[C@H](COC)c1ccc(CC)o1 ZINC000274825931 387494137 /nfs/dbraw/zinc/49/41/37/387494137.db2.gz KZCHTEANXHYAJW-CYBMUJFWSA-N 0 3 237.343 3.085 20 30 BGEDHN C=C(C)CCN[C@@H](COC)c1ccc(CC)o1 ZINC000274825934 387496450 /nfs/dbraw/zinc/49/64/50/387496450.db2.gz KZCHTEANXHYAJW-ZDUSSCGKSA-N 0 3 237.343 3.085 20 30 BGEDHN C=C(C)CCN[C@H](C)c1cc(OC)ccc1OC ZINC000274827303 386587479 /nfs/dbraw/zinc/58/74/79/386587479.db2.gz LCNTYOZIXWVKQN-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000274827304 187402047 /nfs/dbraw/zinc/40/20/47/187402047.db2.gz LCNTYOZIXWVKQN-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CCN(C)[C@H](C)c1cccnc1 ZINC000274837092 387496138 /nfs/dbraw/zinc/49/61/38/387496138.db2.gz NROBJACZRHTSRC-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN(C)[C@@H](C)c1cccnc1 ZINC000274837094 387509869 /nfs/dbraw/zinc/50/98/69/387509869.db2.gz NROBJACZRHTSRC-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN1CC=C(C(F)(F)F)CC1 ZINC000274858225 387495413 /nfs/dbraw/zinc/49/54/13/387495413.db2.gz SUQBYAIMFUDYBV-UHFFFAOYSA-N 0 3 219.250 3.147 20 30 BGEDHN C=C(C)CCN1CCc2c(cccc2OC)C1 ZINC000274859337 188092756 /nfs/dbraw/zinc/09/27/56/188092756.db2.gz SXUPQACYLUFABN-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(C)CCN(C)[C@H](C)c1ccncc1 ZINC000274860821 188264894 /nfs/dbraw/zinc/26/48/94/188264894.db2.gz UFIZILNYPHKPKH-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN(C)[C@@H](C)c1ccncc1 ZINC000274860824 188264402 /nfs/dbraw/zinc/26/44/02/188264402.db2.gz UFIZILNYPHKPKH-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CCN(C)Cc1c(C)nc2sccn12 ZINC000274861648 187238274 /nfs/dbraw/zinc/23/82/74/187238274.db2.gz UKFWAUATWDZVHH-UHFFFAOYSA-N 0 3 249.383 3.102 20 30 BGEDHN C=C(C)CCN(Cc1cccnc1)C1CC1 ZINC000274867579 187238254 /nfs/dbraw/zinc/23/82/54/187238254.db2.gz WASCLBFEIFHXMP-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN C=C(C)CCN(Cc1ccccn1)C1CC1 ZINC000274880018 387495100 /nfs/dbraw/zinc/49/51/00/387495100.db2.gz ZNZISTJCGPOUAR-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1csc(CC)n1 ZINC000274880072 389049136 /nfs/dbraw/zinc/04/91/36/389049136.db2.gz ZPTDAOPEAPTOKC-JTQLQIEISA-N 0 3 224.373 3.322 20 30 BGEDHN C=C(C)CCN[C@H](C)c1csc(CC)n1 ZINC000274880074 389048688 /nfs/dbraw/zinc/04/86/88/389048688.db2.gz ZPTDAOPEAPTOKC-SNVBAGLBSA-N 0 3 224.373 3.322 20 30 BGEDHN C#CCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000274895550 188264652 /nfs/dbraw/zinc/26/46/52/188264652.db2.gz RALHHKGJVPZDSK-AWEZNQCLSA-N 0 3 235.277 3.195 20 30 BGEDHN C#CCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000274895554 187238461 /nfs/dbraw/zinc/23/84/61/187238461.db2.gz RALHHKGJVPZDSK-CQSZACIVSA-N 0 3 235.277 3.195 20 30 BGEDHN C[C@H](NCCCCC#N)c1ccc(Cl)cn1 ZINC000274895941 135366967 /nfs/dbraw/zinc/36/69/67/135366967.db2.gz KGLWKYABNYCKJK-JTQLQIEISA-N 0 3 237.734 3.079 20 30 BGEDHN C[C@@H](NCCCCC#N)c1ccc(Cl)cn1 ZINC000274895942 135367094 /nfs/dbraw/zinc/36/70/94/135367094.db2.gz KGLWKYABNYCKJK-SNVBAGLBSA-N 0 3 237.734 3.079 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274937658 188265341 /nfs/dbraw/zinc/26/53/41/188265341.db2.gz SGCFZFVDQVOWBO-LLVKDONJSA-N 0 3 236.746 3.189 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274937660 389051132 /nfs/dbraw/zinc/05/11/32/389051132.db2.gz SGCFZFVDQVOWBO-NSHDSACASA-N 0 3 236.746 3.189 20 30 BGEDHN C#CCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000275064835 166131517 /nfs/dbraw/zinc/13/15/17/166131517.db2.gz RNPNVUJEPYNNLU-CYBMUJFWSA-N 0 3 234.368 3.002 20 30 BGEDHN C=CCCCCCN(C)Cc1cncc(F)c1 ZINC000275106034 387500824 /nfs/dbraw/zinc/50/08/24/387500824.db2.gz DYGHOXZNWKDBEV-UHFFFAOYSA-N 0 3 236.334 3.399 20 30 BGEDHN C=CCN(C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000275170952 166323846 /nfs/dbraw/zinc/32/38/46/166323846.db2.gz LFLDDMOVVJDZLM-JTQLQIEISA-N 0 3 241.281 3.467 20 30 BGEDHN C=CCN(C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000275170955 166323196 /nfs/dbraw/zinc/32/31/96/166323196.db2.gz LFLDDMOVVJDZLM-SNVBAGLBSA-N 0 3 241.281 3.467 20 30 BGEDHN C=CCN(C)Cc1ccc(C(F)F)cc1 ZINC000275211110 166324400 /nfs/dbraw/zinc/32/44/00/166324400.db2.gz SBWOXMPXDFVZCU-UHFFFAOYSA-N 0 3 211.255 3.242 20 30 BGEDHN C=C(C)CCNC1(c2nc(C)cs2)CCC1 ZINC000275229018 187237554 /nfs/dbraw/zinc/23/75/54/187237554.db2.gz VMXVZJPMMRSOLV-UHFFFAOYSA-N 0 3 236.384 3.387 20 30 BGEDHN C=CCCCNC1(c2nc(C)cs2)CCC1 ZINC000275247209 166241593 /nfs/dbraw/zinc/24/15/93/166241593.db2.gz XYPMJILEBNPXLF-UHFFFAOYSA-N 0 3 236.384 3.387 20 30 BGEDHN CCc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000275676272 351603038 /nfs/dbraw/zinc/60/30/38/351603038.db2.gz YEDSZRWRHJOAHV-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCCSCC1 ZINC000275733457 177034959 /nfs/dbraw/zinc/03/49/59/177034959.db2.gz UTXUXRJLIJCXPR-GFCCVEGCSA-N 0 3 246.379 3.058 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCCSCC1 ZINC000275733466 176016964 /nfs/dbraw/zinc/01/69/64/176016964.db2.gz UTXUXRJLIJCXPR-LBPRGKRZSA-N 0 3 246.379 3.058 20 30 BGEDHN CC1=CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275765398 168116529 /nfs/dbraw/zinc/11/65/29/168116529.db2.gz YGLIUOLBHRFMIE-CYBMUJFWSA-N 0 3 226.323 3.271 20 30 BGEDHN CC1=CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275765402 168117513 /nfs/dbraw/zinc/11/75/13/168117513.db2.gz YGLIUOLBHRFMIE-ZDUSSCGKSA-N 0 3 226.323 3.271 20 30 BGEDHN CC[C@@H](NCCCC#N)c1cccc(F)c1 ZINC000275776134 535803521 /nfs/dbraw/zinc/80/35/21/535803521.db2.gz VMMMZWPUBICEMX-CYBMUJFWSA-N 0 3 220.291 3.170 20 30 BGEDHN CC[C@H](NCCCC#N)c1cccc(F)c1 ZINC000275776135 535899954 /nfs/dbraw/zinc/89/99/54/535899954.db2.gz VMMMZWPUBICEMX-ZDUSSCGKSA-N 0 3 220.291 3.170 20 30 BGEDHN C=CCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000276087833 166255971 /nfs/dbraw/zinc/25/59/71/166255971.db2.gz MAMJJOVPOZRYDS-UHFFFAOYSA-N 0 3 219.328 3.017 20 30 BGEDHN C=CCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000276087833 166255970 /nfs/dbraw/zinc/25/59/70/166255970.db2.gz MAMJJOVPOZRYDS-UHFFFAOYSA-N 0 3 219.328 3.017 20 30 BGEDHN C=CCCN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000276089056 166255960 /nfs/dbraw/zinc/25/59/60/166255960.db2.gz COCRKHVMMVNRDK-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=CCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000276089056 166255955 /nfs/dbraw/zinc/25/59/55/166255955.db2.gz COCRKHVMMVNRDK-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=CCCN(C)Cc1cnc2ccccc2c1 ZINC000276126453 166260047 /nfs/dbraw/zinc/26/00/47/166260047.db2.gz KYIOVDKIMKHHDF-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=CCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276127567 166256906 /nfs/dbraw/zinc/25/69/06/166256906.db2.gz KZIOYSIWAINSGK-VQHVLOKHSA-N 0 3 246.310 3.116 20 30 BGEDHN C=CCCN(C)Cc1nn(CC)c2ccccc12 ZINC000276136772 166259587 /nfs/dbraw/zinc/25/95/87/166259587.db2.gz MRWZCNAVSDJFGV-UHFFFAOYSA-N 0 3 243.354 3.064 20 30 BGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccccc1 ZINC000276136816 166256900 /nfs/dbraw/zinc/25/69/00/166256900.db2.gz MSYWKEMWHGZNEE-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=CCN(C)Cc1ccc2nc(C)ccc2c1 ZINC000276150517 166325018 /nfs/dbraw/zinc/32/50/18/166325018.db2.gz DWVBNGCOJRVYTR-UHFFFAOYSA-N 0 3 226.323 3.161 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H](C)c1ccc(F)cc1 ZINC000276160611 351611194 /nfs/dbraw/zinc/61/11/94/351611194.db2.gz FYGNVYATAFZLRW-BXUZGUMPSA-N 0 3 234.318 3.211 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H](C)c1ccc(F)cc1 ZINC000276160614 351611456 /nfs/dbraw/zinc/61/14/56/351611456.db2.gz FYGNVYATAFZLRW-FZMZJTMJSA-N 0 3 234.318 3.211 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H](C)c1ccc(F)cc1 ZINC000276160618 351611661 /nfs/dbraw/zinc/61/16/61/351611661.db2.gz FYGNVYATAFZLRW-RISCZKNCSA-N 0 3 234.318 3.211 20 30 BGEDHN CC[C@H](CC#N)NC[C@H](C)c1ccc(F)cc1 ZINC000276160621 351611698 /nfs/dbraw/zinc/61/16/98/351611698.db2.gz FYGNVYATAFZLRW-SMDDNHRTSA-N 0 3 234.318 3.211 20 30 BGEDHN C=CCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000276164641 166259104 /nfs/dbraw/zinc/25/91/04/166259104.db2.gz RMMRIRXRGAEVEB-UHFFFAOYSA-N 0 3 238.400 3.449 20 30 BGEDHN C=CCCN(C)Cc1cnc(CC(C)C)s1 ZINC000276183334 166258976 /nfs/dbraw/zinc/25/89/76/166258976.db2.gz VMKUHBGMHIFSDD-UHFFFAOYSA-N 0 3 238.400 3.350 20 30 BGEDHN CCc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000276187371 351612230 /nfs/dbraw/zinc/61/22/30/351612230.db2.gz HTBMEALJBQUPDL-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN C=CCCN(C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000276200226 166256421 /nfs/dbraw/zinc/25/64/21/166256421.db2.gz YPXMEVZGLGRQET-UHFFFAOYSA-N 0 3 249.402 3.263 20 30 BGEDHN Cc1ccc(CN(C)[C@H](C)CCC#N)cc1 ZINC000276264399 351613467 /nfs/dbraw/zinc/61/34/67/351613467.db2.gz BQIGLGSCXSBEHQ-CYBMUJFWSA-N 0 3 216.328 3.119 20 30 BGEDHN Cc1ccc(CN(C)[C@@H](C)CCC#N)cc1 ZINC000276264403 351613512 /nfs/dbraw/zinc/61/35/12/351613512.db2.gz BQIGLGSCXSBEHQ-ZDUSSCGKSA-N 0 3 216.328 3.119 20 30 BGEDHN C[C@H](CCC#N)N(C)Cc1cccc(Cl)c1 ZINC000276293649 351614419 /nfs/dbraw/zinc/61/44/19/351614419.db2.gz IMQBGCIRVZMQTK-LLVKDONJSA-N 0 3 236.746 3.464 20 30 BGEDHN C[C@@H](CCC#N)N(C)Cc1cccc(Cl)c1 ZINC000276293651 351614428 /nfs/dbraw/zinc/61/44/28/351614428.db2.gz IMQBGCIRVZMQTK-NSHDSACASA-N 0 3 236.746 3.464 20 30 BGEDHN C[C@@H](CCC#N)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000276297642 351614490 /nfs/dbraw/zinc/61/44/90/351614490.db2.gz JGGVGELRODYOQA-IPYPFGDCSA-N 0 3 228.339 3.372 20 30 BGEDHN C[C@H](CCC#N)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000276297645 351614497 /nfs/dbraw/zinc/61/44/97/351614497.db2.gz JGGVGELRODYOQA-NFAWXSAZSA-N 0 3 228.339 3.372 20 30 BGEDHN C[C@H](CCC#N)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000276297647 351614938 /nfs/dbraw/zinc/61/49/38/351614938.db2.gz JGGVGELRODYOQA-UMVBOHGHSA-N 0 3 228.339 3.372 20 30 BGEDHN C[C@@H](CCC#N)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000276297649 351614435 /nfs/dbraw/zinc/61/44/35/351614435.db2.gz JGGVGELRODYOQA-VNHYZAJKSA-N 0 3 228.339 3.372 20 30 BGEDHN Cc1cccnc1[C@@H](N[C@@H](C)CCC#N)C(C)C ZINC000276314608 351615673 /nfs/dbraw/zinc/61/56/73/351615673.db2.gz MZSDICMEPFHRKS-KBPBESRZSA-N 0 3 245.370 3.369 20 30 BGEDHN Cc1cccnc1[C@@H](N[C@H](C)CCC#N)C(C)C ZINC000276314611 351616067 /nfs/dbraw/zinc/61/60/67/351616067.db2.gz MZSDICMEPFHRKS-KGLIPLIRSA-N 0 3 245.370 3.369 20 30 BGEDHN Cc1cccnc1[C@H](N[C@@H](C)CCC#N)C(C)C ZINC000276314612 133550320 /nfs/dbraw/zinc/55/03/20/133550320.db2.gz MZSDICMEPFHRKS-UONOGXRCSA-N 0 3 245.370 3.369 20 30 BGEDHN Cc1cccnc1[C@H](N[C@H](C)CCC#N)C(C)C ZINC000276314613 351615831 /nfs/dbraw/zinc/61/58/31/351615831.db2.gz MZSDICMEPFHRKS-ZIAGYGMSSA-N 0 3 245.370 3.369 20 30 BGEDHN CCN(Cc1cccs1)[C@H](C)CCC#N ZINC000276322611 351616544 /nfs/dbraw/zinc/61/65/44/351616544.db2.gz PEPNVOIBPUQTPU-LLVKDONJSA-N 0 3 222.357 3.262 20 30 BGEDHN CCN(Cc1cccs1)[C@@H](C)CCC#N ZINC000276322612 351616860 /nfs/dbraw/zinc/61/68/60/351616860.db2.gz PEPNVOIBPUQTPU-NSHDSACASA-N 0 3 222.357 3.262 20 30 BGEDHN C=CCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000276336666 166261891 /nfs/dbraw/zinc/26/18/91/166261891.db2.gz BWDKYFSOCWTICT-LLVKDONJSA-N 0 3 230.311 3.397 20 30 BGEDHN C=CCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000276336673 166259834 /nfs/dbraw/zinc/25/98/34/166259834.db2.gz BWDKYFSOCWTICT-NSHDSACASA-N 0 3 230.311 3.397 20 30 BGEDHN C[C@@H](CCC#N)N(C)CCCOc1ccccc1 ZINC000276344011 386304306 /nfs/dbraw/zinc/30/43/06/386304306.db2.gz UOXROVYLUFWWNO-AWEZNQCLSA-N 0 3 246.354 3.080 20 30 BGEDHN C[C@H](CCC#N)N(C)CCCOc1ccccc1 ZINC000276344014 386305878 /nfs/dbraw/zinc/30/58/78/386305878.db2.gz UOXROVYLUFWWNO-CQSZACIVSA-N 0 3 246.354 3.080 20 30 BGEDHN COc1ccc(CN(C)[C@H](C)CCC#N)cc1C ZINC000276345563 386303873 /nfs/dbraw/zinc/30/38/73/386303873.db2.gz VBKZVBPKCNWQBS-CYBMUJFWSA-N 0 3 246.354 3.128 20 30 BGEDHN COc1ccc(CN(C)[C@@H](C)CCC#N)cc1C ZINC000276345566 386304780 /nfs/dbraw/zinc/30/47/80/386304780.db2.gz VBKZVBPKCNWQBS-ZDUSSCGKSA-N 0 3 246.354 3.128 20 30 BGEDHN Cc1ccccc1[C@@H](C)N[C@H](C)CCC#N ZINC000276346343 135367339 /nfs/dbraw/zinc/36/73/39/135367339.db2.gz VFKMNALIJDTIMO-CHWSQXEVSA-N 0 3 216.328 3.338 20 30 BGEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)CCC#N ZINC000276346345 135367344 /nfs/dbraw/zinc/36/73/44/135367344.db2.gz VFKMNALIJDTIMO-QWHCGFSZSA-N 0 3 216.328 3.338 20 30 BGEDHN C[C@H](CCC#N)N(C)Cc1ccc(Cl)cc1 ZINC000276359900 351618575 /nfs/dbraw/zinc/61/85/75/351618575.db2.gz YLONHDPPDFUOAX-LLVKDONJSA-N 0 3 236.746 3.464 20 30 BGEDHN C[C@@H](CCC#N)N(C)Cc1ccc(Cl)cc1 ZINC000276359901 351618401 /nfs/dbraw/zinc/61/84/01/351618401.db2.gz YLONHDPPDFUOAX-NSHDSACASA-N 0 3 236.746 3.464 20 30 BGEDHN C=CCCN(C)CCC(=O)c1ccc(C)cc1 ZINC000276397134 166257509 /nfs/dbraw/zinc/25/75/09/166257509.db2.gz JYZAEMWTACSBOP-UHFFFAOYSA-N 0 3 231.339 3.076 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(F)cn1 ZINC000276421671 188093838 /nfs/dbraw/zinc/09/38/38/188093838.db2.gz XFIYTBPGXMTXJZ-UHFFFAOYSA-N 0 3 236.334 3.399 20 30 BGEDHN C=CCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000276456525 166256185 /nfs/dbraw/zinc/25/61/85/166256185.db2.gz QFWZQTDOZGAOTJ-UHFFFAOYSA-N 0 3 242.322 3.350 20 30 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RHXXORBKSSEOQG-OAHLLOKOSA-N 0 3 246.354 3.024 20 30 BGEDHN C=CCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000278816950 166267522 /nfs/dbraw/zinc/26/75/22/166267522.db2.gz ICPHEAAZJJORIL-CYBMUJFWSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000278816955 166267647 /nfs/dbraw/zinc/26/76/47/166267647.db2.gz ICPHEAAZJJORIL-ZDUSSCGKSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278925562 166322880 /nfs/dbraw/zinc/32/28/80/166322880.db2.gz MABZXUZKEGDQKA-CYBMUJFWSA-N 0 3 239.746 3.145 20 30 BGEDHN C=CCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000278925568 166324552 /nfs/dbraw/zinc/32/45/52/166324552.db2.gz MABZXUZKEGDQKA-ZDUSSCGKSA-N 0 3 239.746 3.145 20 30 BGEDHN C=CCCCNCc1cn2cc(Cl)ccc2n1 ZINC000279025445 166242160 /nfs/dbraw/zinc/24/21/60/166242160.db2.gz AVLWXIUQIOJZNY-UHFFFAOYSA-N 0 3 249.745 3.044 20 30 BGEDHN C=CCCCNCc1csc(C(C)(C)C)n1 ZINC000279043468 166242003 /nfs/dbraw/zinc/24/20/03/166242003.db2.gz CTUPFBJXOGQKFK-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C=CCCCNCc1ccc(Br)o1 ZINC000279045137 166241224 /nfs/dbraw/zinc/24/12/24/166241224.db2.gz CYBOPJIJXBFHOV-UHFFFAOYSA-N 0 3 244.132 3.098 20 30 BGEDHN C=CCCCNCc1c(F)cccc1F ZINC000279062421 166241504 /nfs/dbraw/zinc/24/15/04/166241504.db2.gz FHNKVTISQGCBFP-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=CCCCNCc1nn(CC)c2ccccc12 ZINC000279062471 166241631 /nfs/dbraw/zinc/24/16/31/166241631.db2.gz FIWLDLKVJTYLGI-UHFFFAOYSA-N 0 3 243.354 3.112 20 30 BGEDHN C=CCCCNCc1cccc(F)c1F ZINC000279075239 166241805 /nfs/dbraw/zinc/24/18/05/166241805.db2.gz GNNOJMILKOZJSE-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=CCC[C@@H](NC[C@H]1CCCO1)c1ccco1 ZINC000279088889 166295024 /nfs/dbraw/zinc/29/50/24/166295024.db2.gz UBBLOUBBLFXOSQ-CHWSQXEVSA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCC[C@H](NC[C@H]1CCCO1)c1ccco1 ZINC000279088891 166301572 /nfs/dbraw/zinc/30/15/72/166301572.db2.gz UBBLOUBBLFXOSQ-OLZOCXBDSA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCC[C@@H](NC[C@@H]1CCCO1)c1ccco1 ZINC000279088892 166296088 /nfs/dbraw/zinc/29/60/88/166296088.db2.gz UBBLOUBBLFXOSQ-QWHCGFSZSA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CCCO1)c1ccco1 ZINC000279088894 166302099 /nfs/dbraw/zinc/30/20/99/166302099.db2.gz UBBLOUBBLFXOSQ-STQMWFEESA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCCCNCc1cc(F)c(F)c(F)c1 ZINC000279092860 166241608 /nfs/dbraw/zinc/24/16/08/166241608.db2.gz ILGKHTRJVSJQIY-UHFFFAOYSA-N 0 3 229.245 3.160 20 30 BGEDHN C=CC[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000279102810 384828272 /nfs/dbraw/zinc/82/82/72/384828272.db2.gz JLYHSHKYVHGKBR-JTQLQIEISA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000279102820 188096109 /nfs/dbraw/zinc/09/61/09/188096109.db2.gz JLYHSHKYVHGKBR-SNVBAGLBSA-N 0 3 238.400 3.495 20 30 BGEDHN C=CCCC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000279177818 166241168 /nfs/dbraw/zinc/24/11/68/166241168.db2.gz RMIDBFNTWWVIAC-UHFFFAOYSA-N 0 3 219.328 3.065 20 30 BGEDHN C=CCCCNCc1c(Cl)nc2ccccn21 ZINC000279217239 166241927 /nfs/dbraw/zinc/24/19/27/166241927.db2.gz WWKRDAZUMSLOHQ-UHFFFAOYSA-N 0 3 249.745 3.044 20 30 BGEDHN C=C(C)CN(CCC(C)=O)Cc1ccccc1 ZINC000279237933 387561271 /nfs/dbraw/zinc/56/12/71/387561271.db2.gz FPURKXKDHPQMTL-UHFFFAOYSA-N 0 3 231.339 3.044 20 30 BGEDHN C=C(C)CN(CCCC#N)Cc1ccccc1 ZINC000279382659 351811253 /nfs/dbraw/zinc/81/12/53/351811253.db2.gz SWEDJESWGYHTCL-UHFFFAOYSA-N 0 3 228.339 3.368 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000279687199 166242163 /nfs/dbraw/zinc/24/21/63/166242163.db2.gz ALMYLRNJHTVQNH-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=CCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000279687200 166244414 /nfs/dbraw/zinc/24/44/14/166244414.db2.gz ALMYLRNJHTVQNH-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000279687214 166244343 /nfs/dbraw/zinc/24/43/43/166244343.db2.gz AMINETLKJGMWJT-GFCCVEGCSA-N 0 3 219.328 3.317 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000279687215 166242113 /nfs/dbraw/zinc/24/21/13/166242113.db2.gz AMINETLKJGMWJT-LBPRGKRZSA-N 0 3 219.328 3.317 20 30 BGEDHN C=CCN(C)Cc1cccc(C(F)F)c1 ZINC000279754824 166324002 /nfs/dbraw/zinc/32/40/02/166324002.db2.gz QTASNXAWSHAAFE-UHFFFAOYSA-N 0 3 211.255 3.242 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000279828160 166244049 /nfs/dbraw/zinc/24/40/49/166244049.db2.gz BYNVEVUQNKGTFI-GFCCVEGCSA-N 0 3 219.328 3.317 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000279828174 166242151 /nfs/dbraw/zinc/24/21/51/166242151.db2.gz BYNVEVUQNKGTFI-LBPRGKRZSA-N 0 3 219.328 3.317 20 30 BGEDHN C=CCCCN[C@@H](C)c1cccnc1Cl ZINC000279945396 166241560 /nfs/dbraw/zinc/24/15/60/166241560.db2.gz JPHLSYSOQIBCLG-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=CCCCN[C@H](C)c1cccnc1Cl ZINC000279945397 166244332 /nfs/dbraw/zinc/24/43/32/166244332.db2.gz JPHLSYSOQIBCLG-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN CC[C@@H]([NH2+]CCCC#N)c1ccc(C)cc1[O-] ZINC000279954539 386760781 /nfs/dbraw/zinc/76/07/81/386760781.db2.gz BYORRQXVOQBZIW-CYBMUJFWSA-N 0 3 232.327 3.045 20 30 BGEDHN CC[C@H]([NH2+]CCCC#N)c1ccc(C)cc1[O-] ZINC000279954542 386758732 /nfs/dbraw/zinc/75/87/32/386758732.db2.gz BYORRQXVOQBZIW-ZDUSSCGKSA-N 0 3 232.327 3.045 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000280162191 534734916 /nfs/dbraw/zinc/73/49/16/534734916.db2.gz SJHNZICPOUXDQI-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000280162194 351835144 /nfs/dbraw/zinc/83/51/44/351835144.db2.gz SJHNZICPOUXDQI-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN CC[C@H]([NH2+]CCCCC#N)c1ccc(C)cc1[O-] ZINC000280168521 351835809 /nfs/dbraw/zinc/83/58/09/351835809.db2.gz RANVTJYMPAKCKW-AWEZNQCLSA-N 0 3 246.354 3.435 20 30 BGEDHN CC[C@@H]([NH2+]CCCCC#N)c1ccc(C)cc1[O-] ZINC000280168527 351835967 /nfs/dbraw/zinc/83/59/67/351835967.db2.gz RANVTJYMPAKCKW-CQSZACIVSA-N 0 3 246.354 3.435 20 30 BGEDHN CC1=C(C)CN(Cc2cccc(C#N)c2)CC1 ZINC000280187228 168084508 /nfs/dbraw/zinc/08/45/08/168084508.db2.gz AQOFXDZVTJGXAL-UHFFFAOYSA-N 0 3 226.323 3.100 20 30 BGEDHN C#CCCCN(C)Cc1ccccc1SC ZINC000280432760 386348648 /nfs/dbraw/zinc/34/86/48/386348648.db2.gz MOBQALXLKXSCEI-UHFFFAOYSA-N 0 3 233.380 3.254 20 30 BGEDHN CC1=C(C)CN(Cc2ccc(C#N)cc2)CC1 ZINC000280441849 168085417 /nfs/dbraw/zinc/08/54/17/168085417.db2.gz CRAVPUQKXFTKEK-UHFFFAOYSA-N 0 3 226.323 3.100 20 30 BGEDHN CC1=CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000280695123 168100844 /nfs/dbraw/zinc/10/08/44/168100844.db2.gz BQWOMSIAHGMORB-CYBMUJFWSA-N 0 3 226.323 3.271 20 30 BGEDHN CC1=CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000280695128 168099213 /nfs/dbraw/zinc/09/92/13/168099213.db2.gz BQWOMSIAHGMORB-ZDUSSCGKSA-N 0 3 226.323 3.271 20 30 BGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000280785294 353425574 /nfs/dbraw/zinc/42/55/74/353425574.db2.gz IVQNBERZGVNANZ-GUTXKFCHSA-N 0 3 249.354 3.220 20 30 BGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C)o1 ZINC000280785298 386374583 /nfs/dbraw/zinc/37/45/83/386374583.db2.gz IVQNBERZGVNANZ-IPYPFGDCSA-N 0 3 249.354 3.220 20 30 BGEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C)o1 ZINC000280785300 386373878 /nfs/dbraw/zinc/37/38/78/386373878.db2.gz IVQNBERZGVNANZ-NFAWXSAZSA-N 0 3 249.354 3.220 20 30 BGEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000280785303 386374798 /nfs/dbraw/zinc/37/47/98/386374798.db2.gz IVQNBERZGVNANZ-YDHLFZDLSA-N 0 3 249.354 3.220 20 30 BGEDHN C=C(C)CN1CCC(OCc2ccccc2)CC1 ZINC000280812507 351861862 /nfs/dbraw/zinc/86/18/62/351861862.db2.gz JHDARZUCSHCDFJ-UHFFFAOYSA-N 0 3 245.366 3.244 20 30 BGEDHN CC1=CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000280935636 168099652 /nfs/dbraw/zinc/09/96/52/168099652.db2.gz VPGZBKAFUFFWQI-CYBMUJFWSA-N 0 3 226.323 3.271 20 30 BGEDHN CC1=CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000280935640 168100601 /nfs/dbraw/zinc/10/06/01/168100601.db2.gz VPGZBKAFUFFWQI-ZDUSSCGKSA-N 0 3 226.323 3.271 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1cccc(C)c1[O-] ZINC000281167062 135369861 /nfs/dbraw/zinc/36/98/61/135369861.db2.gz GPYYWLUOBWKOEI-CYBMUJFWSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1cccc(C)c1[O-] ZINC000281167064 135370118 /nfs/dbraw/zinc/37/01/18/135370118.db2.gz GPYYWLUOBWKOEI-ZDUSSCGKSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CC[C@H](CC)NCc1csc(CC)n1 ZINC000281206896 534377447 /nfs/dbraw/zinc/37/74/47/534377447.db2.gz CCAIYSICHUUBGK-JTQLQIEISA-N 0 3 224.373 3.150 20 30 BGEDHN C=CC[C@@H](CC)NCc1csc(CC)n1 ZINC000281206898 135369785 /nfs/dbraw/zinc/36/97/85/135369785.db2.gz CCAIYSICHUUBGK-SNVBAGLBSA-N 0 3 224.373 3.150 20 30 BGEDHN C=CC[C@H](CC)NCc1csc([N+](=O)[O-])c1 ZINC000281241847 534378565 /nfs/dbraw/zinc/37/85/65/534378565.db2.gz FOCSZXHJKGROBS-JTQLQIEISA-N 0 3 240.328 3.101 20 30 BGEDHN C=CC[C@@H](CC)NCc1csc([N+](=O)[O-])c1 ZINC000281241850 135369850 /nfs/dbraw/zinc/36/98/50/135369850.db2.gz FOCSZXHJKGROBS-SNVBAGLBSA-N 0 3 240.328 3.101 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000281357938 346359285 /nfs/dbraw/zinc/35/92/85/346359285.db2.gz NCBAVZCHYKBCFW-CYBMUJFWSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000281357939 353436017 /nfs/dbraw/zinc/43/60/17/353436017.db2.gz NCBAVZCHYKBCFW-ZDUSSCGKSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000281409888 353446792 /nfs/dbraw/zinc/44/67/92/353446792.db2.gz QCTBZIKKOOPJSX-CYBMUJFWSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000281409889 353446944 /nfs/dbraw/zinc/44/69/44/353446944.db2.gz QCTBZIKKOOPJSX-ZDUSSCGKSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CC[C@@H](CC)N[C@H](C)c1cscn1 ZINC000281456108 346361114 /nfs/dbraw/zinc/36/11/14/346361114.db2.gz DPCHPSQDRBWCLT-NXEZZACHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@H](CC)N[C@@H](C)c1cscn1 ZINC000281456111 534380213 /nfs/dbraw/zinc/38/02/13/534380213.db2.gz DPCHPSQDRBWCLT-UWVGGRQHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H](C)c1cscn1 ZINC000281456113 135370301 /nfs/dbraw/zinc/37/03/01/135370301.db2.gz DPCHPSQDRBWCLT-VHSXEESVSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@H](CC)N[C@H](C)c1cscn1 ZINC000281456115 534379845 /nfs/dbraw/zinc/37/98/45/534379845.db2.gz DPCHPSQDRBWCLT-ZJUUUORDSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000281459017 135370052 /nfs/dbraw/zinc/37/00/52/135370052.db2.gz UBMYXSRRSNTCKX-CYBMUJFWSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000281459021 135370104 /nfs/dbraw/zinc/37/01/04/135370104.db2.gz UBMYXSRRSNTCKX-ZDUSSCGKSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CC[C@@H](CC)NCc1cccnc1Cl ZINC000281465471 135370016 /nfs/dbraw/zinc/37/00/16/135370016.db2.gz UMYMSCGVZHZQJA-LLVKDONJSA-N 0 3 224.735 3.179 20 30 BGEDHN C=CC[C@H](CC)NCc1cccnc1Cl ZINC000281465472 534378753 /nfs/dbraw/zinc/37/87/53/534378753.db2.gz UMYMSCGVZHZQJA-NSHDSACASA-N 0 3 224.735 3.179 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H](C)c1csc(C)n1 ZINC000281481253 135370332 /nfs/dbraw/zinc/37/03/32/135370332.db2.gz FVNRUNBNWJXJNB-GXSJLCMTSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@H](CC)N[C@H](C)c1csc(C)n1 ZINC000281481255 534380898 /nfs/dbraw/zinc/38/08/98/534380898.db2.gz FVNRUNBNWJXJNB-KOLCDFICSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@@H](CC)N[C@H](C)c1csc(C)n1 ZINC000281481259 135369870 /nfs/dbraw/zinc/36/98/70/135369870.db2.gz FVNRUNBNWJXJNB-MWLCHTKSSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@H](CC)N[C@@H](C)c1csc(C)n1 ZINC000281481262 534380237 /nfs/dbraw/zinc/38/02/37/534380237.db2.gz FVNRUNBNWJXJNB-ONGXEEELSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccc(C#N)cc1F ZINC000281515704 135370160 /nfs/dbraw/zinc/37/01/60/135370160.db2.gz XPPQBEWHYMFTTB-CYBMUJFWSA-N 0 3 232.302 3.142 20 30 BGEDHN C=CC[C@H](CC)NCc1ccc(C#N)cc1F ZINC000281515709 135369946 /nfs/dbraw/zinc/36/99/46/135369946.db2.gz XPPQBEWHYMFTTB-ZDUSSCGKSA-N 0 3 232.302 3.142 20 30 BGEDHN C=CC[C@@H](CC)NCc1nc2ccccc2n1C ZINC000281548248 135370765 /nfs/dbraw/zinc/37/07/65/135370765.db2.gz ZUHXYLCXAYFCSX-GFCCVEGCSA-N 0 3 243.354 3.018 20 30 BGEDHN C=CC[C@H](CC)NCc1nc2ccccc2n1C ZINC000281548253 346363374 /nfs/dbraw/zinc/36/33/74/346363374.db2.gz ZUHXYLCXAYFCSX-LBPRGKRZSA-N 0 3 243.354 3.018 20 30 BGEDHN C=CC[C@@H](CC)N[C@H](C)c1nccs1 ZINC000281588337 135370569 /nfs/dbraw/zinc/37/05/69/135370569.db2.gz LNRVJZTURNYUHX-NXEZZACHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@H](CC)N[C@@H](C)c1nccs1 ZINC000281588348 534379876 /nfs/dbraw/zinc/37/98/76/534379876.db2.gz LNRVJZTURNYUHX-UWVGGRQHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H](C)c1nccs1 ZINC000281588363 135370755 /nfs/dbraw/zinc/37/07/55/135370755.db2.gz LNRVJZTURNYUHX-VHSXEESVSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CC[C@H](CC)N[C@H](C)c1nccs1 ZINC000281588380 534379928 /nfs/dbraw/zinc/37/99/28/534379928.db2.gz LNRVJZTURNYUHX-ZJUUUORDSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCCCN(C)Cc1cn(C(C)C)nc1C ZINC000281639291 166233315 /nfs/dbraw/zinc/23/33/15/166233315.db2.gz OVPUSSPSWLCIPC-UHFFFAOYSA-N 0 3 235.375 3.170 20 30 BGEDHN C#CCCN[C@@H](C)c1ccccc1SC ZINC000281683654 346366024 /nfs/dbraw/zinc/36/60/24/346366024.db2.gz MMUXJADMDQYYKG-NSHDSACASA-N 0 3 219.353 3.082 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000281687139 397757453 /nfs/dbraw/zinc/75/74/53/397757453.db2.gz RXESONUDRYRSFV-NEPJUHHUSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000281687142 397757443 /nfs/dbraw/zinc/75/74/43/397757443.db2.gz RXESONUDRYRSFV-NWDGAFQWSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000281687147 397757436 /nfs/dbraw/zinc/75/74/36/397757436.db2.gz RXESONUDRYRSFV-RYUDHWBXSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000281687151 323065392 /nfs/dbraw/zinc/06/53/92/323065392.db2.gz RXESONUDRYRSFV-VXGBXAGGSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cn1 ZINC000281692627 346365918 /nfs/dbraw/zinc/36/59/18/346365918.db2.gz SEPLKFBZGDQWHC-CMPLNLGQSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cn1 ZINC000281692629 346366010 /nfs/dbraw/zinc/36/60/10/346366010.db2.gz SEPLKFBZGDQWHC-JQWIXIFHSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@H](CC)N[C@H](C)c1ccc(F)cn1 ZINC000281692632 346365981 /nfs/dbraw/zinc/36/59/81/346365981.db2.gz SEPLKFBZGDQWHC-PWSUYJOCSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cn1 ZINC000281692634 353457213 /nfs/dbraw/zinc/45/72/13/353457213.db2.gz SEPLKFBZGDQWHC-ZYHUDNBSSA-N 0 3 222.307 3.226 20 30 BGEDHN Cc1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000281709216 351904905 /nfs/dbraw/zinc/90/49/05/351904905.db2.gz OJYILJTVWDXJMQ-UHFFFAOYSA-N 0 3 232.327 3.008 20 30 BGEDHN C=C(C)CN(CC)Cc1cn(C(C)C)nc1C ZINC000281807868 353453644 /nfs/dbraw/zinc/45/36/44/353453644.db2.gz YSYLRENASLWDSX-UHFFFAOYSA-N 0 3 235.375 3.170 20 30 BGEDHN C#CCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000281965650 135370728 /nfs/dbraw/zinc/37/07/28/135370728.db2.gz BHGCZXLDGOZKHU-GFCCVEGCSA-N 0 3 219.328 3.351 20 30 BGEDHN C#CCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000281965652 533033406 /nfs/dbraw/zinc/03/34/06/533033406.db2.gz BHGCZXLDGOZKHU-LBPRGKRZSA-N 0 3 219.328 3.351 20 30 BGEDHN C#CCCN[C@H](C)c1ccccc1SC ZINC000282059499 353461969 /nfs/dbraw/zinc/46/19/69/353461969.db2.gz MMUXJADMDQYYKG-LLVKDONJSA-N 0 3 219.353 3.082 20 30 BGEDHN CSc1ccccc1[C@@H](C)NCCCC#N ZINC000282087835 133559398 /nfs/dbraw/zinc/55/93/98/133559398.db2.gz OMBKNGZGQSFQBJ-LLVKDONJSA-N 0 3 234.368 3.363 20 30 BGEDHN Cc1cc([C@@H](C)NCCCCC#N)oc1C ZINC000282117866 346382878 /nfs/dbraw/zinc/38/28/78/346382878.db2.gz JJSCJLBCNVTVNP-LLVKDONJSA-N 0 3 220.316 3.241 20 30 BGEDHN Cc1cc([C@H](C)NCCCCC#N)oc1C ZINC000282117870 135516451 /nfs/dbraw/zinc/51/64/51/135516451.db2.gz JJSCJLBCNVTVNP-NSHDSACASA-N 0 3 220.316 3.241 20 30 BGEDHN CCc1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282306572 136286254 /nfs/dbraw/zinc/28/62/54/136286254.db2.gz KCEWPQKDNQMQSH-UHFFFAOYSA-N 0 3 246.354 3.262 20 30 BGEDHN CCCC[N@@H+](CCCC#N)Cc1ccccc1[O-] ZINC000282344242 491111368 /nfs/dbraw/zinc/11/13/68/491111368.db2.gz CDRDVEWUNCPJGO-UHFFFAOYSA-N 0 3 246.354 3.298 20 30 BGEDHN CCCC[N@H+](CCCC#N)Cc1ccccc1[O-] ZINC000282344242 491111367 /nfs/dbraw/zinc/11/13/67/491111367.db2.gz CDRDVEWUNCPJGO-UHFFFAOYSA-N 0 3 246.354 3.298 20 30 BGEDHN C[C@H](NCC1CCC(C#N)CC1)c1cscn1 ZINC000282347790 491111443 /nfs/dbraw/zinc/11/14/43/491111443.db2.gz PCMPYTWFUBOBHL-UNXYVOJBSA-N 0 3 249.383 3.124 20 30 BGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cscn1 ZINC000282347796 491111408 /nfs/dbraw/zinc/11/14/08/491111408.db2.gz PCMPYTWFUBOBHL-VOMCLLRMSA-N 0 3 249.383 3.124 20 30 BGEDHN C[C@H](NCC1CCC(C#N)CC1)c1nccs1 ZINC000282462212 136286466 /nfs/dbraw/zinc/28/64/66/136286466.db2.gz VRXURNTUVJBJNI-UNXYVOJBSA-N 0 3 249.383 3.124 20 30 BGEDHN C[C@@H](NCC1CCC(C#N)CC1)c1nccs1 ZINC000282462213 136286365 /nfs/dbraw/zinc/28/63/65/136286365.db2.gz VRXURNTUVJBJNI-VOMCLLRMSA-N 0 3 249.383 3.124 20 30 BGEDHN C#CCC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000282511505 188049698 /nfs/dbraw/zinc/04/96/98/188049698.db2.gz SAPMBPCSVODDKL-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C#CCC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000282511505 188049696 /nfs/dbraw/zinc/04/96/96/188049696.db2.gz SAPMBPCSVODDKL-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C#CC[C@H](NCCSC(C)C)c1ccccc1 ZINC000282653707 353481178 /nfs/dbraw/zinc/48/11/78/353481178.db2.gz COPZCRZAQIPAIX-HNNXBMFYSA-N 0 3 247.407 3.482 20 30 BGEDHN C#CC[C@@H](NCCSC(C)C)c1ccccc1 ZINC000282653710 353480362 /nfs/dbraw/zinc/48/03/62/353480362.db2.gz COPZCRZAQIPAIX-OAHLLOKOSA-N 0 3 247.407 3.482 20 30 BGEDHN C=CCC[C@@H](C)NCc1cc(C)cc(Cl)n1 ZINC000282937263 135371418 /nfs/dbraw/zinc/37/14/18/135371418.db2.gz YSKXSZCQVIBBLP-LLVKDONJSA-N 0 3 238.762 3.488 20 30 BGEDHN C=CCC[C@H](C)NCc1cc(C)cc(Cl)n1 ZINC000282937265 135372092 /nfs/dbraw/zinc/37/20/92/135372092.db2.gz YSKXSZCQVIBBLP-NSHDSACASA-N 0 3 238.762 3.488 20 30 BGEDHN C[C@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209331 388823152 /nfs/dbraw/zinc/82/31/52/388823152.db2.gz LYWCVBISJQIAOG-GWCFXTLKSA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209336 388823106 /nfs/dbraw/zinc/82/31/06/388823106.db2.gz LYWCVBISJQIAOG-GXFFZTMASA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209341 385311643 /nfs/dbraw/zinc/31/16/43/385311643.db2.gz LYWCVBISJQIAOG-MFKMUULPSA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209346 388823132 /nfs/dbraw/zinc/82/31/32/388823132.db2.gz LYWCVBISJQIAOG-ZWNOBZJWSA-N 0 3 246.379 3.103 20 30 BGEDHN C#CC[C@H](NCCOCC(C)C)c1ccccc1 ZINC000283436958 353499832 /nfs/dbraw/zinc/49/98/32/353499832.db2.gz XJQMRKPUKDKGTD-INIZCTEOSA-N 0 3 245.366 3.013 20 30 BGEDHN C#CC[C@@H](NCCOCC(C)C)c1ccccc1 ZINC000283436961 353500071 /nfs/dbraw/zinc/50/00/71/353500071.db2.gz XJQMRKPUKDKGTD-MRXNPFEDSA-N 0 3 245.366 3.013 20 30 BGEDHN C[C@H](N[C@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503351 385697902 /nfs/dbraw/zinc/69/79/02/385697902.db2.gz YZEFVQCTFSFYOH-GWCFXTLKSA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@H](N[C@@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503353 385698862 /nfs/dbraw/zinc/69/88/62/385698862.db2.gz YZEFVQCTFSFYOH-GXFFZTMASA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@@H](N[C@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503354 385698200 /nfs/dbraw/zinc/69/82/00/385698200.db2.gz YZEFVQCTFSFYOH-MFKMUULPSA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@@H](N[C@@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503356 385698658 /nfs/dbraw/zinc/69/86/58/385698658.db2.gz YZEFVQCTFSFYOH-ZWNOBZJWSA-N 0 3 246.379 3.103 20 30 BGEDHN CC(C)SCCN(C)Cc1cccc(C#N)c1 ZINC000283679340 167322458 /nfs/dbraw/zinc/32/24/58/167322458.db2.gz VVQLOLXUYPSILZ-UHFFFAOYSA-N 0 3 248.395 3.132 20 30 BGEDHN C=CC[C@@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000283815988 353511968 /nfs/dbraw/zinc/51/19/68/353511968.db2.gz DRDHPNNNRYMXPU-CYBMUJFWSA-N 0 3 243.354 3.087 20 30 BGEDHN C=CC[C@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000283815989 353504518 /nfs/dbraw/zinc/50/45/18/353504518.db2.gz DRDHPNNNRYMXPU-ZDUSSCGKSA-N 0 3 243.354 3.087 20 30 BGEDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCCC#N)c([O-])c1 ZINC000284050359 351990447 /nfs/dbraw/zinc/99/04/47/351990447.db2.gz KGJSBHNDNZCJPF-CYBMUJFWSA-N 0 3 246.354 3.354 20 30 BGEDHN Cc1cc(C)c([C@H](C)[NH2+]CCCCC#N)c([O-])c1 ZINC000284050361 351990105 /nfs/dbraw/zinc/99/01/05/351990105.db2.gz KGJSBHNDNZCJPF-ZDUSSCGKSA-N 0 3 246.354 3.354 20 30 BGEDHN C=CCCCCNCc1cn2cc(C)ccc2n1 ZINC000284076368 353509062 /nfs/dbraw/zinc/50/90/62/353509062.db2.gz UTEMZENHVFHQSS-UHFFFAOYSA-N 0 3 243.354 3.089 20 30 BGEDHN C=CCCCCNCc1cnc(C(C)(C)C)nc1 ZINC000284230749 534691829 /nfs/dbraw/zinc/69/18/29/534691829.db2.gz DJPXLIJKFBFUHY-UHFFFAOYSA-N 0 3 247.386 3.220 20 30 BGEDHN C=CCN(C[C@H](OC)c1ccccc1)C1CC1 ZINC000284353466 353511847 /nfs/dbraw/zinc/51/18/47/353511847.db2.gz KGJFGHHSVCBDHW-HNNXBMFYSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCN(C[C@@H](OC)c1ccccc1)C1CC1 ZINC000284353468 353511373 /nfs/dbraw/zinc/51/13/73/353511373.db2.gz KGJFGHHSVCBDHW-OAHLLOKOSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCCN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284376458 353515660 /nfs/dbraw/zinc/51/56/60/353515660.db2.gz OCOJSDYNOBVHCY-UHFFFAOYSA-N 0 3 247.386 3.172 20 30 BGEDHN C=C1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC000284401199 353517872 /nfs/dbraw/zinc/51/78/72/353517872.db2.gz NKBNBBGYMXDTJM-HNNXBMFYSA-N 0 3 231.339 3.026 20 30 BGEDHN C=C1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC000284401206 353517659 /nfs/dbraw/zinc/51/76/59/353517659.db2.gz NKBNBBGYMXDTJM-OAHLLOKOSA-N 0 3 231.339 3.026 20 30 BGEDHN N#CCCCN1CCC=C(c2ccccc2)C1 ZINC000284830025 352007414 /nfs/dbraw/zinc/00/74/14/352007414.db2.gz RPLDWFGHLZJIOT-UHFFFAOYSA-N 0 3 226.323 3.079 20 30 BGEDHN C=C(Cl)CN[C@H](C)c1c(C)cc(C)cc1O ZINC000285251559 188049384 /nfs/dbraw/zinc/04/93/84/188049384.db2.gz PZYPRELOMQHFBQ-LLVKDONJSA-N 0 3 239.746 3.412 20 30 BGEDHN C=C(Cl)CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000285251560 387253921 /nfs/dbraw/zinc/25/39/21/387253921.db2.gz PZYPRELOMQHFBQ-NSHDSACASA-N 0 3 239.746 3.412 20 30 BGEDHN CC(C)(C#N)CCN1CCC=C(c2ccco2)C1 ZINC000285299068 352035155 /nfs/dbraw/zinc/03/51/55/352035155.db2.gz KZWSJHCYXSZBJR-UHFFFAOYSA-N 0 3 244.338 3.309 20 30 BGEDHN N#CCCCCN1CCC=C(c2ccco2)C1 ZINC000285319382 352036372 /nfs/dbraw/zinc/03/63/72/352036372.db2.gz MWBKHQYUFFRGHA-UHFFFAOYSA-N 0 3 230.311 3.063 20 30 BGEDHN N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000285477150 352044789 /nfs/dbraw/zinc/04/47/89/352044789.db2.gz OHWIFNFCCXBIKN-ARFHVFGLSA-N 0 3 240.350 3.168 20 30 BGEDHN N#CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285477155 352045289 /nfs/dbraw/zinc/04/52/89/352045289.db2.gz OHWIFNFCCXBIKN-BZUAXINKSA-N 0 3 240.350 3.168 20 30 BGEDHN N#CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285477158 352045236 /nfs/dbraw/zinc/04/52/36/352045236.db2.gz OHWIFNFCCXBIKN-OAGGEKHMSA-N 0 3 240.350 3.168 20 30 BGEDHN N#CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285477163 352045102 /nfs/dbraw/zinc/04/51/02/352045102.db2.gz OHWIFNFCCXBIKN-XHSDSOJGSA-N 0 3 240.350 3.168 20 30 BGEDHN C=CCCOCCN[C@@H](CCC=C)c1ccco1 ZINC000285486092 353544184 /nfs/dbraw/zinc/54/41/84/353544184.db2.gz AALQFJHDQWNYAL-AWEZNQCLSA-N 0 3 249.354 3.469 20 30 BGEDHN C=CCCOCCN[C@H](CCC=C)c1ccco1 ZINC000285486094 353544409 /nfs/dbraw/zinc/54/44/09/353544409.db2.gz AALQFJHDQWNYAL-CQSZACIVSA-N 0 3 249.354 3.469 20 30 BGEDHN Cc1noc(C)c1C(C)(C)NCCC(C)(C)C#N ZINC000285500948 352047337 /nfs/dbraw/zinc/04/73/37/352047337.db2.gz CQKPVLBFPQWWHF-UHFFFAOYSA-N 0 3 249.358 3.056 20 30 BGEDHN C=CCC[C@@H](NC1CCOCC1)c1ccco1 ZINC000285517995 353544906 /nfs/dbraw/zinc/54/49/06/353544906.db2.gz AYUYKJKISYADQJ-CYBMUJFWSA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCC[C@H](NC1CCOCC1)c1ccco1 ZINC000285517997 353544838 /nfs/dbraw/zinc/54/48/38/353544838.db2.gz AYUYKJKISYADQJ-ZDUSSCGKSA-N 0 3 235.327 3.056 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285655261 386487448 /nfs/dbraw/zinc/48/74/48/386487448.db2.gz LXVGIHGUYCSQGB-NXEZZACHSA-N 0 3 240.297 3.365 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285655263 386487413 /nfs/dbraw/zinc/48/74/13/386487413.db2.gz LXVGIHGUYCSQGB-UWVGGRQHSA-N 0 3 240.297 3.365 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1c(F)cncc1F 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OBUJGJIQIBPMRM-GFCCVEGCSA-N 0 3 249.354 3.239 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287510066 353577824 /nfs/dbraw/zinc/57/78/24/353577824.db2.gz OBUJGJIQIBPMRM-LBPRGKRZSA-N 0 3 249.354 3.239 20 30 BGEDHN C=CCC[C@H](NC[C@H]1CC[C@H](O)C1)c1ccco1 ZINC000287510074 353577618 /nfs/dbraw/zinc/57/76/18/353577618.db2.gz OBVIFYQKKLJQQL-IHRRRGAJSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CC[C@@H](O)C1)c1ccco1 ZINC000287510080 135587899 /nfs/dbraw/zinc/58/78/99/135587899.db2.gz OBVIFYQKKLJQQL-MCIONIFRSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@H]1CC[C@@H](O)C1)c1ccco1 ZINC000287510085 353577961 /nfs/dbraw/zinc/57/79/61/353577961.db2.gz OBVIFYQKKLJQQL-MJBXVCDLSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccco1 ZINC000287510090 353577654 /nfs/dbraw/zinc/57/76/54/353577654.db2.gz OBVIFYQKKLJQQL-RDBSUJKOSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@@H](NCCC[C@@H](C)O)c1ccco1 ZINC000287743575 353586113 /nfs/dbraw/zinc/58/61/13/353586113.db2.gz YVWKSNKHKPUSSD-CHWSQXEVSA-N 0 3 237.343 3.038 20 30 BGEDHN C=CCC[C@H](NCCC[C@@H](C)O)c1ccco1 ZINC000287743577 353586100 /nfs/dbraw/zinc/58/61/00/353586100.db2.gz YVWKSNKHKPUSSD-OLZOCXBDSA-N 0 3 237.343 3.038 20 30 BGEDHN C=CCC[C@@H](NCCC[C@H](C)O)c1ccco1 ZINC000287743581 353585931 /nfs/dbraw/zinc/58/59/31/353585931.db2.gz YVWKSNKHKPUSSD-QWHCGFSZSA-N 0 3 237.343 3.038 20 30 BGEDHN C=CCC[C@H](NCCC[C@H](C)O)c1ccco1 ZINC000287743584 353586256 /nfs/dbraw/zinc/58/62/56/353586256.db2.gz YVWKSNKHKPUSSD-STQMWFEESA-N 0 3 237.343 3.038 20 30 BGEDHN Cc1ccoc1CNCC(C)(C)CCC#N ZINC000288371519 350860482 /nfs/dbraw/zinc/86/04/82/350860482.db2.gz FCJWFZVESRTQQR-UHFFFAOYSA-N 0 3 220.316 3.008 20 30 BGEDHN C=CCCCCCCCCNCc1cncnc1 ZINC000288519159 353609153 /nfs/dbraw/zinc/60/91/53/353609153.db2.gz ULGXPNHUGNPYHA-UHFFFAOYSA-N 0 3 247.386 3.483 20 30 BGEDHN C=C(C)CN[C@H](COC)c1cccc(Cl)c1 ZINC000288698850 364693942 /nfs/dbraw/zinc/69/39/42/364693942.db2.gz DQSNEQZJZWEHQF-CYBMUJFWSA-N 0 3 239.746 3.193 20 30 BGEDHN C=C(C)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000288698852 364693576 /nfs/dbraw/zinc/69/35/76/364693576.db2.gz DQSNEQZJZWEHQF-ZDUSSCGKSA-N 0 3 239.746 3.193 20 30 BGEDHN CC(C)(C#N)CCCN1CCCc2occc2C1 ZINC000288974805 534983381 /nfs/dbraw/zinc/98/33/81/534983381.db2.gz YXLANKDPZHYEGL-UHFFFAOYSA-N 0 3 246.354 3.358 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289396039 352183762 /nfs/dbraw/zinc/18/37/62/352183762.db2.gz FSIQEMMRRPKUCJ-NEPJUHHUSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289396043 135617834 /nfs/dbraw/zinc/61/78/34/135617834.db2.gz FSIQEMMRRPKUCJ-NWDGAFQWSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289396047 353627868 /nfs/dbraw/zinc/62/78/68/353627868.db2.gz FSIQEMMRRPKUCJ-RYUDHWBXSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289396051 353627898 /nfs/dbraw/zinc/62/78/98/353627898.db2.gz FSIQEMMRRPKUCJ-VXGBXAGGSA-N 0 3 249.354 3.091 20 30 BGEDHN C=C1CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC000289419816 353628342 /nfs/dbraw/zinc/62/83/42/353628342.db2.gz UPEYUJVWPJJGKR-UHFFFAOYSA-N 0 3 231.339 3.161 20 30 BGEDHN C=CCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289428080 353628515 /nfs/dbraw/zinc/62/85/15/353628515.db2.gz KDYKMCZRJXKUKM-CYBMUJFWSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CCC[C@H](CC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000289428083 353628699 /nfs/dbraw/zinc/62/86/99/353628699.db2.gz KDYKMCZRJXKUKM-ZDUSSCGKSA-N 0 3 249.354 3.235 20 30 BGEDHN CC[C@@H](c1cccc(OC)c1)N(C)CCCC#N ZINC000289461350 352187392 /nfs/dbraw/zinc/18/73/92/352187392.db2.gz QBWQLVLOJTWBHO-HNNXBMFYSA-N 0 3 246.354 3.382 20 30 BGEDHN CC[C@H](c1cccc(OC)c1)N(C)CCCC#N ZINC000289461352 352187113 /nfs/dbraw/zinc/18/71/13/352187113.db2.gz QBWQLVLOJTWBHO-OAHLLOKOSA-N 0 3 246.354 3.382 20 30 BGEDHN C=CCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289559220 353632134 /nfs/dbraw/zinc/63/21/34/353632134.db2.gz NPPKSEJLDLOGNO-UHFFFAOYSA-N 0 3 243.350 3.119 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(SC(F)F)cc1 ZINC000289567939 345904022 /nfs/dbraw/zinc/90/40/22/345904022.db2.gz SGVYOBNCTQAOBQ-SECBINFHSA-N 0 3 241.306 3.113 20 30 BGEDHN C#C[C@H](C)NCc1ccc(SC(F)F)cc1 ZINC000289567942 345904161 /nfs/dbraw/zinc/90/41/61/345904161.db2.gz SGVYOBNCTQAOBQ-VIFPVBQESA-N 0 3 241.306 3.113 20 30 BGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000289609798 353633434 /nfs/dbraw/zinc/63/34/34/353633434.db2.gz CZJTXZFUZPFIQI-DOMZBBRYSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000289609802 353622021 /nfs/dbraw/zinc/62/20/21/353622021.db2.gz CZJTXZFUZPFIQI-IUODEOHRSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000289609805 353623396 /nfs/dbraw/zinc/62/33/96/353623396.db2.gz CZJTXZFUZPFIQI-SWLSCSKDSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000289609811 353633178 /nfs/dbraw/zinc/63/31/78/353633178.db2.gz CZJTXZFUZPFIQI-WFASDCNBSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1cccc2ccccc21 ZINC000289719417 353638293 /nfs/dbraw/zinc/63/82/93/353638293.db2.gz JNZMJLVSZZUXDN-GXTWGEPZSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc2ccccc21 ZINC000289719422 353638248 /nfs/dbraw/zinc/63/82/48/353638248.db2.gz JNZMJLVSZZUXDN-JSGCOSHPSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@@H](CO)N[C@H](C)c1cccc2ccccc21 ZINC000289719425 353637393 /nfs/dbraw/zinc/63/73/93/353637393.db2.gz JNZMJLVSZZUXDN-OCCSQVGLSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1cccc2ccccc21 ZINC000289719430 353638490 /nfs/dbraw/zinc/63/84/90/353638490.db2.gz JNZMJLVSZZUXDN-TZMCWYRMSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@H](CO)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000289721189 353638441 /nfs/dbraw/zinc/63/84/41/353638441.db2.gz JQHMSQOGVXMRJJ-DAXOMENPSA-N 0 3 245.366 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000289721194 353638967 /nfs/dbraw/zinc/63/89/67/353638967.db2.gz JQHMSQOGVXMRJJ-KCXAZCMYSA-N 0 3 245.366 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000289721197 353639165 /nfs/dbraw/zinc/63/91/65/353639165.db2.gz JQHMSQOGVXMRJJ-UHOFOFEASA-N 0 3 245.366 3.008 20 30 BGEDHN C=C[C@H](CO)N[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000289721201 353638259 /nfs/dbraw/zinc/63/82/59/353638259.db2.gz JQHMSQOGVXMRJJ-WQVCFCJDSA-N 0 3 245.366 3.008 20 30 BGEDHN C=C(C)CN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289772306 353635264 /nfs/dbraw/zinc/63/52/64/353635264.db2.gz ZWLMKSNVRKCSCJ-UHFFFAOYSA-N 0 3 243.350 3.119 20 30 BGEDHN C=C(C)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000289917355 353643376 /nfs/dbraw/zinc/64/33/76/353643376.db2.gz SBLCOOOHBRTZFB-UHFFFAOYSA-N 0 3 245.244 3.077 20 30 BGEDHN C=CCCCCCCNCc1cncs1 ZINC000289956348 351019660 /nfs/dbraw/zinc/01/96/60/351019660.db2.gz CDKGAGSETQENOX-UHFFFAOYSA-N 0 3 224.373 3.369 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc2ccccc2c1 ZINC000289971344 353644990 /nfs/dbraw/zinc/64/49/90/353644990.db2.gz XKTNRYGPBULUEZ-BLLLJJGKSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc2ccccc2c1 ZINC000289971347 353645373 /nfs/dbraw/zinc/64/53/73/353645373.db2.gz XKTNRYGPBULUEZ-LRDDRELGSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1ccc2ccccc2c1 ZINC000289971350 353644848 /nfs/dbraw/zinc/64/48/48/353644848.db2.gz XKTNRYGPBULUEZ-MLGOLLRUSA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@@H](CO)N[C@H](C)c1ccc2ccccc2c1 ZINC000289971353 353645760 /nfs/dbraw/zinc/64/57/60/353645760.db2.gz XKTNRYGPBULUEZ-WBMJQRKESA-N 0 3 241.334 3.037 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1cc2ccccc2s1 ZINC000289991871 353645353 /nfs/dbraw/zinc/64/53/53/353645353.db2.gz YNBWLUXABGAXQT-CMPLNLGQSA-N 0 3 247.363 3.099 20 30 BGEDHN C=C[C@@H](CO)N[C@@H](C)c1cc2ccccc2s1 ZINC000289991876 353645753 /nfs/dbraw/zinc/64/57/53/353645753.db2.gz YNBWLUXABGAXQT-JQWIXIFHSA-N 0 3 247.363 3.099 20 30 BGEDHN C=C[C@@H](CO)N[C@H](C)c1cc2ccccc2s1 ZINC000289991879 135630883 /nfs/dbraw/zinc/63/08/83/135630883.db2.gz YNBWLUXABGAXQT-PWSUYJOCSA-N 0 3 247.363 3.099 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1cc2ccccc2s1 ZINC000289991883 353645790 /nfs/dbraw/zinc/64/57/90/353645790.db2.gz YNBWLUXABGAXQT-ZYHUDNBSSA-N 0 3 247.363 3.099 20 30 BGEDHN C=CCCCCCCNCc1ccccn1 ZINC000290174843 534672219 /nfs/dbraw/zinc/67/22/19/534672219.db2.gz RIFUZIKYUFWUIL-UHFFFAOYSA-N 0 3 218.344 3.308 20 30 BGEDHN CC(C)(CCC#N)CN1CCCc2occc2C1 ZINC000290187376 352214210 /nfs/dbraw/zinc/21/42/10/352214210.db2.gz OHFDDEWNKFJWKB-UHFFFAOYSA-N 0 3 246.354 3.358 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCc1noc2c1CCCC2 ZINC000290193834 353650898 /nfs/dbraw/zinc/65/08/98/353650898.db2.gz OYLUOSYSOQMZJY-NEPJUHHUSA-N 0 3 248.370 3.244 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)NCc1noc2c1CCCC2 ZINC000290193835 517340764 /nfs/dbraw/zinc/34/07/64/517340764.db2.gz OYLUOSYSOQMZJY-NWDGAFQWSA-N 0 3 248.370 3.244 20 30 BGEDHN C=CC[C@H](C)[C@H](C)NCc1noc2c1CCCC2 ZINC000290193836 353650644 /nfs/dbraw/zinc/65/06/44/353650644.db2.gz OYLUOSYSOQMZJY-RYUDHWBXSA-N 0 3 248.370 3.244 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)NCc1noc2c1CCCC2 ZINC000290193838 135633710 /nfs/dbraw/zinc/63/37/10/135633710.db2.gz OYLUOSYSOQMZJY-VXGBXAGGSA-N 0 3 248.370 3.244 20 30 BGEDHN C=CCC[C@@H](NC[C@@H](CC)OC)c1ccco1 ZINC000290196503 353651367 /nfs/dbraw/zinc/65/13/67/353651367.db2.gz OTNSTILPQOXRDD-CHWSQXEVSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](NC[C@@H](CC)OC)c1ccco1 ZINC000290196504 353651309 /nfs/dbraw/zinc/65/13/09/353651309.db2.gz OTNSTILPQOXRDD-OLZOCXBDSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@@H](NC[C@H](CC)OC)c1ccco1 ZINC000290196505 353651414 /nfs/dbraw/zinc/65/14/14/353651414.db2.gz OTNSTILPQOXRDD-QWHCGFSZSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](NC[C@H](CC)OC)c1ccco1 ZINC000290196506 353650716 /nfs/dbraw/zinc/65/07/16/353650716.db2.gz OTNSTILPQOXRDD-STQMWFEESA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCCCCCCNCc1ccnn1CC ZINC000290196968 534672862 /nfs/dbraw/zinc/67/28/62/534672862.db2.gz UFJXYEIQELHRMG-UHFFFAOYSA-N 0 3 235.375 3.129 20 30 BGEDHN C[C@@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000290220820 362974516 /nfs/dbraw/zinc/97/45/16/362974516.db2.gz HZYYIBUQCLCJJT-BXUZGUMPSA-N 0 3 214.312 3.128 20 30 BGEDHN C[C@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000290220827 362974512 /nfs/dbraw/zinc/97/45/12/362974512.db2.gz HZYYIBUQCLCJJT-FZMZJTMJSA-N 0 3 214.312 3.128 20 30 BGEDHN C[C@@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000290220834 362974492 /nfs/dbraw/zinc/97/44/92/362974492.db2.gz HZYYIBUQCLCJJT-RISCZKNCSA-N 0 3 214.312 3.128 20 30 BGEDHN C[C@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000290220840 362974322 /nfs/dbraw/zinc/97/43/22/362974322.db2.gz HZYYIBUQCLCJJT-SMDDNHRTSA-N 0 3 214.312 3.128 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CC3)C2)s1 ZINC000290225321 181104143 /nfs/dbraw/zinc/10/41/43/181104143.db2.gz SGDDXEAOLQPWHK-GFCCVEGCSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@H](C3CC3)C2)s1 ZINC000290225325 181104552 /nfs/dbraw/zinc/10/45/52/181104552.db2.gz SGDDXEAOLQPWHK-LBPRGKRZSA-N 0 3 246.379 3.242 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)s1 ZINC000290361580 171039152 /nfs/dbraw/zinc/03/91/52/171039152.db2.gz GVYQHGURBXMWMO-GHMZBOCLSA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)s1 ZINC000290361586 385297620 /nfs/dbraw/zinc/29/76/20/385297620.db2.gz GVYQHGURBXMWMO-MNOVXSKESA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)s1 ZINC000290361594 385296295 /nfs/dbraw/zinc/29/62/95/385296295.db2.gz GVYQHGURBXMWMO-QWRGUYRKSA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)s1 ZINC000290361604 171053765 /nfs/dbraw/zinc/05/37/65/171053765.db2.gz GVYQHGURBXMWMO-WDEREUQCSA-N 0 3 234.368 3.383 20 30 BGEDHN C[C@@H](NCCCC#N)c1nccc2ccccc21 ZINC000290646243 352233010 /nfs/dbraw/zinc/23/30/10/352233010.db2.gz JTTGIFXZWAQGFZ-GFCCVEGCSA-N 0 3 239.322 3.189 20 30 BGEDHN C[C@H](NCCCC#N)c1nccc2ccccc21 ZINC000290646244 352233202 /nfs/dbraw/zinc/23/32/02/352233202.db2.gz JTTGIFXZWAQGFZ-LBPRGKRZSA-N 0 3 239.322 3.189 20 30 BGEDHN CCCC[C@@H](C)N(C)Cc1ccc(C#N)o1 ZINC000290891293 349028819 /nfs/dbraw/zinc/02/88/19/349028819.db2.gz LILFHQQACMVSGB-LLVKDONJSA-N 0 3 220.316 3.162 20 30 BGEDHN CCCC[C@H](C)N(C)Cc1ccc(C#N)o1 ZINC000290891300 349034747 /nfs/dbraw/zinc/03/47/47/349034747.db2.gz LILFHQQACMVSGB-NSHDSACASA-N 0 3 220.316 3.162 20 30 BGEDHN C=CC[C@@H](C)NCc1ccnc(Cl)c1Cl ZINC000290925026 135374954 /nfs/dbraw/zinc/37/49/54/135374954.db2.gz QZGBKUMAWFLTQD-MRVPVSSYSA-N 0 3 245.153 3.443 20 30 BGEDHN C=CC[C@H](C)NCc1ccnc(Cl)c1Cl ZINC000290925029 534351212 /nfs/dbraw/zinc/35/12/12/534351212.db2.gz QZGBKUMAWFLTQD-QMMMGPOBSA-N 0 3 245.153 3.443 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290992217 349439881 /nfs/dbraw/zinc/43/98/81/349439881.db2.gz AAKXQIIEETZGJD-HNNXBMFYSA-N 0 3 240.350 3.179 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]1C1CC1 ZINC000290992237 385765456 /nfs/dbraw/zinc/76/54/56/385765456.db2.gz AAKXQIIEETZGJD-OAHLLOKOSA-N 0 3 240.350 3.179 20 30 BGEDHN CCN(Cc1ccc(C#N)o1)CC(C)(C)C ZINC000291071416 349753476 /nfs/dbraw/zinc/75/34/76/349753476.db2.gz LTAGJBLNDRGBRN-UHFFFAOYSA-N 0 3 220.316 3.019 20 30 BGEDHN CC1(C#N)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291073173 136287983 /nfs/dbraw/zinc/28/79/83/136287983.db2.gz FOMLRKDFROOJKV-HUUCEWRRSA-N 0 3 240.350 3.168 20 30 BGEDHN C=C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291257576 353684493 /nfs/dbraw/zinc/68/44/93/353684493.db2.gz WNOKPPILYNPLLG-HUUCEWRRSA-N 0 3 213.324 3.195 20 30 BGEDHN C#Cc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000291637421 353699971 /nfs/dbraw/zinc/69/99/71/353699971.db2.gz SVIDGXKOKCSKFJ-GFCCVEGCSA-N 0 3 249.304 3.145 20 30 BGEDHN C#Cc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000291637430 353700762 /nfs/dbraw/zinc/70/07/62/353700762.db2.gz SVIDGXKOKCSKFJ-LBPRGKRZSA-N 0 3 249.304 3.145 20 30 BGEDHN C=CCCCNCc1ccnc(Cl)c1Cl ZINC000291637450 534733764 /nfs/dbraw/zinc/73/37/64/534733764.db2.gz SVKKHACRYJDIDW-UHFFFAOYSA-N 0 3 245.153 3.444 20 30 BGEDHN CC1(C)CN(Cc2cccc(C#N)c2)[C@H]1C1CC1 ZINC000291680813 350107704 /nfs/dbraw/zinc/10/77/04/350107704.db2.gz XHQPEAOBGNESGZ-HNNXBMFYSA-N 0 3 240.350 3.179 20 30 BGEDHN CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]1C1CC1 ZINC000291680816 350107723 /nfs/dbraw/zinc/10/77/23/350107723.db2.gz XHQPEAOBGNESGZ-OAHLLOKOSA-N 0 3 240.350 3.179 20 30 BGEDHN C=CCC[C@@H](NCc1oc(CC)nc1C)C1CC1 ZINC000292014665 353703851 /nfs/dbraw/zinc/70/38/51/353703851.db2.gz ZCTSZKNTDRZQPF-CYBMUJFWSA-N 0 3 248.370 3.380 20 30 BGEDHN C=CCC[C@H](NCc1oc(CC)nc1C)C1CC1 ZINC000292014667 353703663 /nfs/dbraw/zinc/70/36/63/353703663.db2.gz ZCTSZKNTDRZQPF-ZDUSSCGKSA-N 0 3 248.370 3.380 20 30 BGEDHN Cc1ccoc1CN(C)CCCC(C)(C)C#N ZINC000292124754 135375403 /nfs/dbraw/zinc/37/54/03/135375403.db2.gz HWLVVPLHEHQOGP-UHFFFAOYSA-N 0 3 234.343 3.350 20 30 BGEDHN C=C(C)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292173332 353705392 /nfs/dbraw/zinc/70/53/92/353705392.db2.gz PVRMJKNUDRKQBZ-UHFFFAOYSA-N 0 3 248.326 3.386 20 30 BGEDHN N#Cc1ccccc1CN(C1CCC1)C1CCC1 ZINC000292411285 181146100 /nfs/dbraw/zinc/14/61/00/181146100.db2.gz MBPCBKDNGIXRKE-UHFFFAOYSA-N 0 3 240.350 3.465 20 30 BGEDHN N#Cc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000292765211 181102519 /nfs/dbraw/zinc/10/25/19/181102519.db2.gz JURKLKMLTBMWPO-UHFFFAOYSA-N 0 3 230.311 3.058 20 30 BGEDHN C=CCC(C)(C)CNCc1csc(CC)n1 ZINC000292866511 359309080 /nfs/dbraw/zinc/30/90/80/359309080.db2.gz CVBWUKNVGHWPCE-UHFFFAOYSA-N 0 3 238.400 3.397 20 30 BGEDHN C=C(C)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292872563 353727052 /nfs/dbraw/zinc/72/70/52/353727052.db2.gz XHYYAVUMUQKBDU-HNNXBMFYSA-N 0 3 245.366 3.056 20 30 BGEDHN C=C(C)CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000292872565 353727639 /nfs/dbraw/zinc/72/76/39/353727639.db2.gz XHYYAVUMUQKBDU-OAHLLOKOSA-N 0 3 245.366 3.056 20 30 BGEDHN Cc1ccoc1CN(C)CC(C)(C)CCC#N ZINC000292882759 386742069 /nfs/dbraw/zinc/74/20/69/386742069.db2.gz XZPMWQYDUNZCPB-UHFFFAOYSA-N 0 3 234.343 3.350 20 30 BGEDHN C=CCC(C)(C)CNCc1csc(C)n1 ZINC000292882942 359320928 /nfs/dbraw/zinc/32/09/28/359320928.db2.gz FCGSMVXWEHQZJG-UHFFFAOYSA-N 0 3 224.373 3.143 20 30 BGEDHN C=CCCN1CCN(CCC=C)[C@@H]2CCCC[C@H]21 ZINC000292912696 353728655 /nfs/dbraw/zinc/72/86/55/353728655.db2.gz BDVIIJWMALWKKS-HZPDHXFCSA-N 0 3 248.414 3.067 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000292926763 387308282 /nfs/dbraw/zinc/30/82/82/387308282.db2.gz IQZCYAXWSPYEDC-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C=CCCCNCc1ncc(CSC)s1 ZINC000292939549 534734174 /nfs/dbraw/zinc/73/41/74/534734174.db2.gz CBFDBGSNKVLYPI-UHFFFAOYSA-N 0 3 242.413 3.062 20 30 BGEDHN Cc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)s1 ZINC000292960153 386757781 /nfs/dbraw/zinc/75/77/81/386757781.db2.gz CQTWDVYOUULJON-NEPJUHHUSA-N 0 3 234.368 3.181 20 30 BGEDHN Cc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)s1 ZINC000292960154 386759034 /nfs/dbraw/zinc/75/90/34/386759034.db2.gz CQTWDVYOUULJON-NWDGAFQWSA-N 0 3 234.368 3.181 20 30 BGEDHN Cc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)s1 ZINC000292960155 386758584 /nfs/dbraw/zinc/75/85/84/386758584.db2.gz CQTWDVYOUULJON-RYUDHWBXSA-N 0 3 234.368 3.181 20 30 BGEDHN Cc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000292960157 386758422 /nfs/dbraw/zinc/75/84/22/386758422.db2.gz CQTWDVYOUULJON-VXGBXAGGSA-N 0 3 234.368 3.181 20 30 BGEDHN C=CCC(C)(C)CNCc1ccc(COC)o1 ZINC000292961675 534552568 /nfs/dbraw/zinc/55/25/68/534552568.db2.gz LLVLRLRXPQGFHD-UHFFFAOYSA-N 0 3 237.343 3.118 20 30 BGEDHN C=CCC(C)(C)CNCc1nc(C)cs1 ZINC000292978595 534553536 /nfs/dbraw/zinc/55/35/36/534553536.db2.gz MWCZXWHDTMNRRK-UHFFFAOYSA-N 0 3 224.373 3.143 20 30 BGEDHN C=CCCCCCCNCc1conc1C ZINC000293004352 534673302 /nfs/dbraw/zinc/67/33/02/534673302.db2.gz PCENGUUBDSHDKV-UHFFFAOYSA-N 0 3 222.332 3.209 20 30 BGEDHN Cc1ccccc1C(C)(C)NCCCC#N ZINC000293022806 135376919 /nfs/dbraw/zinc/37/69/19/135376919.db2.gz QWKVNZSLXLVDOL-UHFFFAOYSA-N 0 3 216.328 3.124 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000293026299 387435335 /nfs/dbraw/zinc/43/53/35/387435335.db2.gz RDLCENQYBBJLSG-UHFFFAOYSA-N 0 3 219.328 3.084 20 30 BGEDHN C=CCC(C)(C)CNCc1cccnc1Cl ZINC000293053036 534552530 /nfs/dbraw/zinc/55/25/30/534552530.db2.gz UBQBLCSKYXPLHW-UHFFFAOYSA-N 0 3 238.762 3.427 20 30 BGEDHN C=CCC(C)(C)CNCc1cn2ccccc2n1 ZINC000293070138 534553874 /nfs/dbraw/zinc/55/38/74/534553874.db2.gz VJGYTZJRJAMKHH-UHFFFAOYSA-N 0 3 243.354 3.026 20 30 BGEDHN C=CCN(C)C[C@H](OC(C)C)c1ccccc1 ZINC000293098635 353732547 /nfs/dbraw/zinc/73/25/47/353732547.db2.gz JAHPRIXTRXLRLO-HNNXBMFYSA-N 0 3 233.355 3.271 20 30 BGEDHN C=CCN(C)C[C@@H](OC(C)C)c1ccccc1 ZINC000293098638 353732979 /nfs/dbraw/zinc/73/29/79/353732979.db2.gz JAHPRIXTRXLRLO-OAHLLOKOSA-N 0 3 233.355 3.271 20 30 BGEDHN C=CCC[C@@H](C)NCc1oc(CCC)nc1C ZINC000293301207 353740510 /nfs/dbraw/zinc/74/05/10/353740510.db2.gz DRVWGUODRDOHNB-LLVKDONJSA-N 0 3 236.359 3.380 20 30 BGEDHN C=CCC[C@H](C)NCc1oc(CCC)nc1C ZINC000293301210 353740710 /nfs/dbraw/zinc/74/07/10/353740710.db2.gz DRVWGUODRDOHNB-NSHDSACASA-N 0 3 236.359 3.380 20 30 BGEDHN CCc1ccc([C@H]2CCN(CCCC#N)C2)cc1 ZINC000293314802 136289412 /nfs/dbraw/zinc/28/94/12/136289412.db2.gz LPXMELIAXOBXQR-INIZCTEOSA-N 0 3 242.366 3.342 20 30 BGEDHN CCc1ccc([C@@H]2CCN(CCCC#N)C2)cc1 ZINC000293314806 136289406 /nfs/dbraw/zinc/28/94/06/136289406.db2.gz LPXMELIAXOBXQR-MRXNPFEDSA-N 0 3 242.366 3.342 20 30 BGEDHN N#CCCCNCc1ccc(C2CCC2)cc1 ZINC000293339214 136289516 /nfs/dbraw/zinc/28/95/16/136289516.db2.gz SDCSTWJSSZTDRI-UHFFFAOYSA-N 0 3 228.339 3.347 20 30 BGEDHN C=CCOCCN1CCC[C@@H]1c1cccs1 ZINC000293347808 136229590 /nfs/dbraw/zinc/22/95/90/136229590.db2.gz DMAGIYGFRSSKDO-GFCCVEGCSA-N 0 3 237.368 3.088 20 30 BGEDHN C=CCOCCN1CCC[C@H]1c1cccs1 ZINC000293347814 353739151 /nfs/dbraw/zinc/73/91/51/353739151.db2.gz DMAGIYGFRSSKDO-LBPRGKRZSA-N 0 3 237.368 3.088 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1snnc1C ZINC000293354749 350870374 /nfs/dbraw/zinc/87/03/74/350870374.db2.gz HDAHURLSBDQOSK-LLVKDONJSA-N 0 3 239.388 3.071 20 30 BGEDHN C=CCC[C@H](CCC)NCc1snnc1C ZINC000293354756 350870493 /nfs/dbraw/zinc/87/04/93/350870493.db2.gz HDAHURLSBDQOSK-NSHDSACASA-N 0 3 239.388 3.071 20 30 BGEDHN Cc1ccccc1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000293362596 135180519 /nfs/dbraw/zinc/18/05/19/135180519.db2.gz FEADEWYPKKPWNL-DZGCQCFKSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1ccccc1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000293362597 135180155 /nfs/dbraw/zinc/18/01/55/135180155.db2.gz FEADEWYPKKPWNL-HIFRSBDPSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1ccccc1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293362599 135180488 /nfs/dbraw/zinc/18/04/88/135180488.db2.gz FEADEWYPKKPWNL-UKRRQHHQSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1ccccc1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000293362600 135180246 /nfs/dbraw/zinc/18/02/46/135180246.db2.gz FEADEWYPKKPWNL-ZFWWWQNUSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000293381923 135180301 /nfs/dbraw/zinc/18/03/01/135180301.db2.gz GHFSTMFALHEHHT-DZGCQCFKSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000293381925 135180401 /nfs/dbraw/zinc/18/04/01/135180401.db2.gz GHFSTMFALHEHHT-HIFRSBDPSA-N 0 3 228.339 3.119 20 30 BGEDHN Cc1cccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000293381927 135179965 /nfs/dbraw/zinc/17/99/65/135179965.db2.gz GHFSTMFALHEHHT-UKRRQHHQSA-N 0 3 228.339 3.119 20 30 BGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000293392143 135180494 /nfs/dbraw/zinc/18/04/94/135180494.db2.gz KSBWPHSZKUVHNP-CHWSQXEVSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000293392149 135179842 /nfs/dbraw/zinc/17/98/42/135179842.db2.gz KSBWPHSZKUVHNP-OLZOCXBDSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@@H]1[C@@H](C)CN1Cc1ccccc1C(C)(C)C#N ZINC000293392154 135180372 /nfs/dbraw/zinc/18/03/72/135180372.db2.gz KSBWPHSZKUVHNP-QWHCGFSZSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000293392161 135180379 /nfs/dbraw/zinc/18/03/79/135180379.db2.gz KSBWPHSZKUVHNP-STQMWFEESA-N 0 3 242.366 3.328 20 30 BGEDHN CC1(C)CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000293456220 358425754 /nfs/dbraw/zinc/42/57/54/358425754.db2.gz PULSDSXYJKUYBT-LLVKDONJSA-N 0 3 232.327 3.067 20 30 BGEDHN CC1(C)CCC[C@H]1CNCc1ccc(C#N)o1 ZINC000293456223 167914295 /nfs/dbraw/zinc/91/42/95/167914295.db2.gz PULSDSXYJKUYBT-NSHDSACASA-N 0 3 232.327 3.067 20 30 BGEDHN C=CCCCCCN(C)Cc1conc1CC ZINC000293472214 353745208 /nfs/dbraw/zinc/74/52/08/353745208.db2.gz RCGDISKHZJGEPZ-UHFFFAOYSA-N 0 3 236.359 3.415 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1nccnc1C ZINC000293571128 534555166 /nfs/dbraw/zinc/55/51/66/534555166.db2.gz BGSZHDUAZRHJQF-GFCCVEGCSA-N 0 3 233.359 3.038 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1nccnc1C ZINC000293571131 534552448 /nfs/dbraw/zinc/55/24/48/534552448.db2.gz BGSZHDUAZRHJQF-LBPRGKRZSA-N 0 3 233.359 3.038 20 30 BGEDHN C=CCN(Cc1ccsc1C)C1CC1 ZINC000293584836 353749448 /nfs/dbraw/zinc/74/94/48/353749448.db2.gz JZXMNTAHMSFRLI-UHFFFAOYSA-N 0 3 207.342 3.207 20 30 BGEDHN N#C[C@H]1CC[C@@H](N2CCC=C(c3ccco3)C2)C1 ZINC000293587281 135181285 /nfs/dbraw/zinc/18/12/85/135181285.db2.gz OBCMKZOUBSJOBI-GXTWGEPZSA-N 0 3 242.322 3.061 20 30 BGEDHN N#C[C@H]1CC[C@H](N2CCC=C(c3ccco3)C2)C1 ZINC000293587288 135181439 /nfs/dbraw/zinc/18/14/39/135181439.db2.gz OBCMKZOUBSJOBI-JSGCOSHPSA-N 0 3 242.322 3.061 20 30 BGEDHN N#C[C@@H]1CC[C@H](N2CCC=C(c3ccco3)C2)C1 ZINC000293587296 135181550 /nfs/dbraw/zinc/18/15/50/135181550.db2.gz OBCMKZOUBSJOBI-OCCSQVGLSA-N 0 3 242.322 3.061 20 30 BGEDHN N#C[C@@H]1CC[C@@H](N2CCC=C(c3ccco3)C2)C1 ZINC000293587303 135181352 /nfs/dbraw/zinc/18/13/52/135181352.db2.gz OBCMKZOUBSJOBI-TZMCWYRMSA-N 0 3 242.322 3.061 20 30 BGEDHN C=CCOCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000293615418 353750246 /nfs/dbraw/zinc/75/02/46/353750246.db2.gz VVRGLPRKQJGSKE-GFCCVEGCSA-N 0 3 237.318 3.021 20 30 BGEDHN C=CCOCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000293615422 353750585 /nfs/dbraw/zinc/75/05/85/353750585.db2.gz VVRGLPRKQJGSKE-LBPRGKRZSA-N 0 3 237.318 3.021 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1cscn1 ZINC000293639340 364775017 /nfs/dbraw/zinc/77/50/17/364775017.db2.gz HBUCXVHDTZTZLK-JTQLQIEISA-N 0 3 224.373 3.396 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1cscn1 ZINC000293639343 364775579 /nfs/dbraw/zinc/77/55/79/364775579.db2.gz HBUCXVHDTZTZLK-SNVBAGLBSA-N 0 3 224.373 3.396 20 30 BGEDHN C=CCOCCN1CCC[C@@H]1c1ccsc1 ZINC000293640701 353759437 /nfs/dbraw/zinc/75/94/37/353759437.db2.gz XNUGNUHYSVEOBM-CYBMUJFWSA-N 0 3 237.368 3.088 20 30 BGEDHN C=CCOCCN1CCC[C@H]1c1ccsc1 ZINC000293640705 353759242 /nfs/dbraw/zinc/75/92/42/353759242.db2.gz XNUGNUHYSVEOBM-ZDUSSCGKSA-N 0 3 237.368 3.088 20 30 BGEDHN C=CCSCCNCc1ccsc1C ZINC000293647034 135376727 /nfs/dbraw/zinc/37/67/27/135376727.db2.gz SBTNNIOHZZJRIZ-UHFFFAOYSA-N 0 3 227.398 3.065 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](c1nccn1C)C1CC1 ZINC000293662655 353760088 /nfs/dbraw/zinc/76/00/88/353760088.db2.gz ITEPJPQEHFLDQI-CYBMUJFWSA-N 0 3 247.386 3.063 20 30 BGEDHN C=CCC(C)(C)CN[C@H](c1nccn1C)C1CC1 ZINC000293662659 353760888 /nfs/dbraw/zinc/76/08/88/353760888.db2.gz ITEPJPQEHFLDQI-ZDUSSCGKSA-N 0 3 247.386 3.063 20 30 BGEDHN C=CCC(C)(C)CN[C@H](CC)c1nccn1C ZINC000293671695 353760646 /nfs/dbraw/zinc/76/06/46/353760646.db2.gz JNIBNGKVEAQFKU-GFCCVEGCSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](CC)c1nccn1C ZINC000293671698 353760117 /nfs/dbraw/zinc/76/01/17/353760117.db2.gz JNIBNGKVEAQFKU-LBPRGKRZSA-N 0 3 235.375 3.063 20 30 BGEDHN Cc1cccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000293694267 179068870 /nfs/dbraw/zinc/06/88/70/179068870.db2.gz WOJCHZFAIUJAEW-GDBMZVCRSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000293694271 179068394 /nfs/dbraw/zinc/06/83/94/179068394.db2.gz WOJCHZFAIUJAEW-GOEBONIOSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000293694277 179071967 /nfs/dbraw/zinc/07/19/67/179071967.db2.gz WOJCHZFAIUJAEW-ZBFHGGJFSA-N 0 3 242.366 3.428 20 30 BGEDHN CCC[C@@H](CN[C@H](C)c1cccc(C#N)c1)OC ZINC000293697051 169385548 /nfs/dbraw/zinc/38/55/48/169385548.db2.gz OOGWYEZLLAEGBE-DOMZBBRYSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@H](CN[C@H](C)c1cccc(C#N)c1)OC ZINC000293697053 387548035 /nfs/dbraw/zinc/54/80/35/387548035.db2.gz OOGWYEZLLAEGBE-IUODEOHRSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@H](CN[C@@H](C)c1cccc(C#N)c1)OC ZINC000293697055 387546643 /nfs/dbraw/zinc/54/66/43/387546643.db2.gz OOGWYEZLLAEGBE-SWLSCSKDSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)OC ZINC000293697057 169385931 /nfs/dbraw/zinc/38/59/31/169385931.db2.gz OOGWYEZLLAEGBE-WFASDCNBSA-N 0 3 246.354 3.024 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1ccc(F)cn1 ZINC000293719429 363063942 /nfs/dbraw/zinc/06/39/42/363063942.db2.gz NLPXABIAEIASSD-LLVKDONJSA-N 0 3 236.334 3.474 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1ccc(F)cn1 ZINC000293719434 363064570 /nfs/dbraw/zinc/06/45/70/363064570.db2.gz NLPXABIAEIASSD-NSHDSACASA-N 0 3 236.334 3.474 20 30 BGEDHN C=CC[C@@H](C)NCc1ncc(CSC)s1 ZINC000293719463 135376670 /nfs/dbraw/zinc/37/66/70/135376670.db2.gz YKDRJZSFIUIEFB-SECBINFHSA-N 0 3 242.413 3.060 20 30 BGEDHN C=CC[C@H](C)NCc1ncc(CSC)s1 ZINC000293719467 534353017 /nfs/dbraw/zinc/35/30/17/534353017.db2.gz YKDRJZSFIUIEFB-VIFPVBQESA-N 0 3 242.413 3.060 20 30 BGEDHN Cc1sccc1CN1CCC(C)(C#N)CC1 ZINC000293722856 136289584 /nfs/dbraw/zinc/28/95/84/136289584.db2.gz VTNOXJQYCIYKAB-UHFFFAOYSA-N 0 3 234.368 3.182 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)NCc1c(C)onc1CC ZINC000293736498 353755733 /nfs/dbraw/zinc/75/57/33/353755733.db2.gz OUUFSBQWKYWNHP-GHMZBOCLSA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCc1c(C)onc1CC ZINC000293736502 353755457 /nfs/dbraw/zinc/75/54/57/353755457.db2.gz OUUFSBQWKYWNHP-MNOVXSKESA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@H](C)[C@H](C)NCc1c(C)onc1CC ZINC000293736505 353755812 /nfs/dbraw/zinc/75/58/12/353755812.db2.gz OUUFSBQWKYWNHP-QWRGUYRKSA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)NCc1c(C)onc1CC ZINC000293736507 353755375 /nfs/dbraw/zinc/75/53/75/353755375.db2.gz OUUFSBQWKYWNHP-WDEREUQCSA-N 0 3 236.359 3.236 20 30 BGEDHN CCC[C@@H](CN[C@H](C)c1ccc(C#N)cc1)OC ZINC000293742672 169385860 /nfs/dbraw/zinc/38/58/60/169385860.db2.gz SMADZZCWBCAGKM-DOMZBBRYSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@H](CN[C@H](C)c1ccc(C#N)cc1)OC ZINC000293742677 387576281 /nfs/dbraw/zinc/57/62/81/387576281.db2.gz SMADZZCWBCAGKM-IUODEOHRSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@H](CN[C@@H](C)c1ccc(C#N)cc1)OC ZINC000293742682 387574274 /nfs/dbraw/zinc/57/42/74/387574274.db2.gz SMADZZCWBCAGKM-SWLSCSKDSA-N 0 3 246.354 3.024 20 30 BGEDHN CCC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)OC ZINC000293742688 169385674 /nfs/dbraw/zinc/38/56/74/169385674.db2.gz SMADZZCWBCAGKM-WFASDCNBSA-N 0 3 246.354 3.024 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1nccs1 ZINC000293768349 364775918 /nfs/dbraw/zinc/77/59/18/364775918.db2.gz RYRODKDSKFAMRI-JTQLQIEISA-N 0 3 224.373 3.396 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1nccs1 ZINC000293768352 364775683 /nfs/dbraw/zinc/77/56/83/364775683.db2.gz RYRODKDSKFAMRI-SNVBAGLBSA-N 0 3 224.373 3.396 20 30 BGEDHN C=CCC[C@@H](CC)NCc1c(C)onc1CC ZINC000293789878 353768177 /nfs/dbraw/zinc/76/81/77/353768177.db2.gz UFFTXIDWWPZCDW-GFCCVEGCSA-N 0 3 236.359 3.380 20 30 BGEDHN C=CCC[C@H](CC)NCc1c(C)onc1CC ZINC000293789880 135183445 /nfs/dbraw/zinc/18/34/45/135183445.db2.gz UFFTXIDWWPZCDW-LBPRGKRZSA-N 0 3 236.359 3.380 20 30 BGEDHN C=CCC(C)(C)CNCc1cccc(O)c1OC ZINC000293816274 353769382 /nfs/dbraw/zinc/76/93/82/353769382.db2.gz FLYLLUXBNDTNPG-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C=CCC(C)(C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000293833925 534554400 /nfs/dbraw/zinc/55/44/00/534554400.db2.gz BMOFSTRNWJREDX-NEPJUHHUSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CCC(C)(C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000293833928 534553767 /nfs/dbraw/zinc/55/37/67/534553767.db2.gz BMOFSTRNWJREDX-NWDGAFQWSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CCC(C)(C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000293833931 364775630 /nfs/dbraw/zinc/77/56/30/364775630.db2.gz BMOFSTRNWJREDX-RYUDHWBXSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CCC(C)(C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000293833935 534553463 /nfs/dbraw/zinc/55/34/63/534553463.db2.gz BMOFSTRNWJREDX-VXGBXAGGSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000293936575 398206007 /nfs/dbraw/zinc/20/60/07/398206007.db2.gz NWLPRACTFAVSRR-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)o2)[C@H]2CCC[C@@H]21 ZINC000294155020 358586150 /nfs/dbraw/zinc/58/61/50/358586150.db2.gz VOYHECBACBXDEV-KBPBESRZSA-N 0 3 244.338 3.162 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)o2)[C@H]2CCC[C@H]21 ZINC000294155024 358586086 /nfs/dbraw/zinc/58/60/86/358586086.db2.gz VOYHECBACBXDEV-KGLIPLIRSA-N 0 3 244.338 3.162 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)o2)[C@@H]2CCC[C@@H]21 ZINC000294155028 358586518 /nfs/dbraw/zinc/58/65/18/358586518.db2.gz VOYHECBACBXDEV-UONOGXRCSA-N 0 3 244.338 3.162 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)o2)[C@@H]2CCC[C@H]21 ZINC000294155032 358585756 /nfs/dbraw/zinc/58/57/56/358585756.db2.gz VOYHECBACBXDEV-ZIAGYGMSSA-N 0 3 244.338 3.162 20 30 BGEDHN C=CCCOCCN[C@H](CC)c1ccsc1 ZINC000294195131 534780285 /nfs/dbraw/zinc/78/02/85/534780285.db2.gz GMGTYCFIRSGZQW-CYBMUJFWSA-N 0 3 239.384 3.382 20 30 BGEDHN C=CCCOCCN[C@@H](CC)c1ccsc1 ZINC000294195132 534777776 /nfs/dbraw/zinc/77/77/76/534777776.db2.gz GMGTYCFIRSGZQW-ZDUSSCGKSA-N 0 3 239.384 3.382 20 30 BGEDHN C=CCCCN1CCCC[C@H]1c1nccn1CC ZINC000294214852 166235438 /nfs/dbraw/zinc/23/54/38/166235438.db2.gz RZNCOLONGAEZCJ-AWEZNQCLSA-N 0 3 247.386 3.396 20 30 BGEDHN C=CCCCN1CCCC[C@@H]1c1nccn1CC ZINC000294214868 166234321 /nfs/dbraw/zinc/23/43/21/166234321.db2.gz RZNCOLONGAEZCJ-CQSZACIVSA-N 0 3 247.386 3.396 20 30 BGEDHN Cc1cccc2c1CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000294215226 179215840 /nfs/dbraw/zinc/21/58/40/179215840.db2.gz SAJVXRMUGQHARL-DZGCQCFKSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294215240 136289843 /nfs/dbraw/zinc/28/98/43/136289843.db2.gz SAJVXRMUGQHARL-HIFRSBDPSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294215256 136289848 /nfs/dbraw/zinc/28/98/48/136289848.db2.gz SAJVXRMUGQHARL-UKRRQHHQSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000294215275 179217641 /nfs/dbraw/zinc/21/76/41/179217641.db2.gz SAJVXRMUGQHARL-ZFWWWQNUSA-N 0 3 240.350 3.045 20 30 BGEDHN C[C@H](NCCC(C)(F)F)c1cccc(C#N)c1 ZINC000294218474 387777756 /nfs/dbraw/zinc/77/77/56/387777756.db2.gz NGAAMNMHDUTPTL-JTQLQIEISA-N 0 3 238.281 3.254 20 30 BGEDHN C[C@@H](NCCC(C)(F)F)c1cccc(C#N)c1 ZINC000294218478 387777923 /nfs/dbraw/zinc/77/79/23/387777923.db2.gz NGAAMNMHDUTPTL-SNVBAGLBSA-N 0 3 238.281 3.254 20 30 BGEDHN C=CCCOCCN[C@H](C)c1csc(C)c1 ZINC000294241528 534778855 /nfs/dbraw/zinc/77/88/55/534778855.db2.gz PEHADNYBJGWTQU-GFCCVEGCSA-N 0 3 239.384 3.300 20 30 BGEDHN C=CCCOCCN[C@@H](C)c1csc(C)c1 ZINC000294241532 534778174 /nfs/dbraw/zinc/77/81/74/534778174.db2.gz PEHADNYBJGWTQU-LBPRGKRZSA-N 0 3 239.384 3.300 20 30 BGEDHN C[C@H](NCCC(C)(F)F)c1ccc(C#N)cc1 ZINC000294314646 388398647 /nfs/dbraw/zinc/39/86/47/388398647.db2.gz WFVPJFOXKFRXFP-JTQLQIEISA-N 0 3 238.281 3.254 20 30 BGEDHN C[C@@H](NCCC(C)(F)F)c1ccc(C#N)cc1 ZINC000294314650 388398685 /nfs/dbraw/zinc/39/86/85/388398685.db2.gz WFVPJFOXKFRXFP-SNVBAGLBSA-N 0 3 238.281 3.254 20 30 BGEDHN C#CCSCCN[C@H](C)c1csc(C)c1 ZINC000294321894 135378411 /nfs/dbraw/zinc/37/84/11/135378411.db2.gz WUZLITOOTUKLDX-LLVKDONJSA-N 0 3 239.409 3.074 20 30 BGEDHN C#CCSCCN[C@@H](C)c1csc(C)c1 ZINC000294321896 533201393 /nfs/dbraw/zinc/20/13/93/533201393.db2.gz WUZLITOOTUKLDX-NSHDSACASA-N 0 3 239.409 3.074 20 30 BGEDHN C=CCC[C@H](CCC)NCc1cnccc1OC ZINC000294519958 166302065 /nfs/dbraw/zinc/30/20/65/166302065.db2.gz ZFZBODYMABWPAT-AWEZNQCLSA-N 0 3 248.370 3.315 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1cnccc1OC ZINC000294519966 353781347 /nfs/dbraw/zinc/78/13/47/353781347.db2.gz ZFZBODYMABWPAT-CQSZACIVSA-N 0 3 248.370 3.315 20 30 BGEDHN N#Cc1cccc(CNCC2=CCCCC2)c1 ZINC000294675208 181137930 /nfs/dbraw/zinc/13/79/30/181137930.db2.gz ATNFYBGJTVBSHL-UHFFFAOYSA-N 0 3 226.323 3.148 20 30 BGEDHN C#CCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294681310 490376075 /nfs/dbraw/zinc/37/60/75/490376075.db2.gz IDRAARFEDOGYOP-AWEZNQCLSA-N 0 3 245.366 3.463 20 30 BGEDHN C#CCCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294681313 187351524 /nfs/dbraw/zinc/35/15/24/187351524.db2.gz IDRAARFEDOGYOP-CQSZACIVSA-N 0 3 245.366 3.463 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCc1ccc(C#N)o1 ZINC000294929507 398102284 /nfs/dbraw/zinc/10/22/84/398102284.db2.gz BNIQGLKFPWGCDV-GFCCVEGCSA-N 0 3 232.327 3.376 20 30 BGEDHN CC(C)=CCC[C@H](C)NCc1ccc(C#N)o1 ZINC000294929510 188393565 /nfs/dbraw/zinc/39/35/65/188393565.db2.gz BNIQGLKFPWGCDV-LBPRGKRZSA-N 0 3 232.327 3.376 20 30 BGEDHN C=CCCCN(C)Cc1cccc(C(C)=O)c1 ZINC000294939193 353793160 /nfs/dbraw/zinc/79/31/60/353793160.db2.gz JNWYTAKUQUMODR-UHFFFAOYSA-N 0 3 231.339 3.287 20 30 BGEDHN CC(C)(CNCc1ccc(C#N)o1)C1CCC1 ZINC000294988170 188097265 /nfs/dbraw/zinc/09/72/65/188097265.db2.gz KJNLFKDBRDMKEN-UHFFFAOYSA-N 0 3 232.327 3.067 20 30 BGEDHN C=CCN(CCCC(=O)CC)CCc1ccco1 ZINC000295049155 353797363 /nfs/dbraw/zinc/79/73/63/353797363.db2.gz UJLGGFSFHWOKMO-UHFFFAOYSA-N 0 3 249.354 3.069 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CF)CC1 ZINC000295052465 177033356 /nfs/dbraw/zinc/03/33/56/177033356.db2.gz BMOMMKWNRSOXFJ-GFCCVEGCSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CF)CC1 ZINC000295052467 176012780 /nfs/dbraw/zinc/01/27/80/176012780.db2.gz BMOMMKWNRSOXFJ-LBPRGKRZSA-N 0 3 246.329 3.301 20 30 BGEDHN N#Cc1ccc(CNCC2=CCCCC2)c(F)c1 ZINC000295135167 181108644 /nfs/dbraw/zinc/10/86/44/181108644.db2.gz PCEYTSYBUKVOII-UHFFFAOYSA-N 0 3 244.313 3.287 20 30 BGEDHN C=CCCCN(C)Cc1ccc(C(C)=O)cc1 ZINC000295141256 353802346 /nfs/dbraw/zinc/80/23/46/353802346.db2.gz ZOXFTLQHJLJTQS-UHFFFAOYSA-N 0 3 231.339 3.287 20 30 BGEDHN N#Cc1ccc(CNCC2=CCCCC2)s1 ZINC000295146943 181107955 /nfs/dbraw/zinc/10/79/55/181107955.db2.gz QQNSUIYZVCAVAE-UHFFFAOYSA-N 0 3 232.352 3.210 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CF)CC1 ZINC000295161421 177035792 /nfs/dbraw/zinc/03/57/92/177035792.db2.gz OVDNMYGRTKIFFE-GFCCVEGCSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CF)CC1 ZINC000295161423 176016410 /nfs/dbraw/zinc/01/64/10/176016410.db2.gz OVDNMYGRTKIFFE-LBPRGKRZSA-N 0 3 246.329 3.301 20 30 BGEDHN N#Cc1ccc(CNCC2=CCCCC2)cc1 ZINC000295164883 181108751 /nfs/dbraw/zinc/10/87/51/181108751.db2.gz SQIQFGKQHAQJAV-UHFFFAOYSA-N 0 3 226.323 3.148 20 30 BGEDHN C=C1CCN(Cc2ccsc2C)CC1 ZINC000295214260 353800241 /nfs/dbraw/zinc/80/02/41/353800241.db2.gz AZEYLABMNYPLMB-UHFFFAOYSA-N 0 3 207.342 3.209 20 30 BGEDHN C=C(C)CCN(C)Cc1ncc(C)c(OC)c1C ZINC000295232900 353800698 /nfs/dbraw/zinc/80/06/98/353800698.db2.gz XCWRNACKAFSHBW-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN C#CCN(Cc1ccccc1)CC1CC(F)(F)C1 ZINC000295309515 533138756 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135191927 /nfs/dbraw/zinc/19/19/27/135191927.db2.gz RZJNJOZLOOZSQJ-AGIUHOORSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1[O-] ZINC000296557387 135192340 /nfs/dbraw/zinc/19/23/40/135192340.db2.gz RZJNJOZLOOZSQJ-AVGNSLFASA-N 0 3 244.338 3.125 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(C(C)=O)c1 ZINC000296599270 353825321 /nfs/dbraw/zinc/82/53/21/353825321.db2.gz SPCXXXFJBUZNBT-UHFFFAOYSA-N 0 3 231.339 3.287 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296622945 136375950 /nfs/dbraw/zinc/37/59/50/136375950.db2.gz ZIKRIZWKAZEIAR-CHWSQXEVSA-N 0 3 231.339 3.324 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296622950 136376082 /nfs/dbraw/zinc/37/60/82/136376082.db2.gz ZIKRIZWKAZEIAR-OLZOCXBDSA-N 0 3 231.339 3.324 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296622953 534380594 /nfs/dbraw/zinc/38/05/94/534380594.db2.gz ZIKRIZWKAZEIAR-QWHCGFSZSA-N 0 3 231.339 3.324 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296622957 534379420 /nfs/dbraw/zinc/37/94/20/534379420.db2.gz ZIKRIZWKAZEIAR-STQMWFEESA-N 0 3 231.339 3.324 20 30 BGEDHN CC/C=C/CN[C@@H](C)c1ccc(C#N)cc1 ZINC000296624204 388601627 /nfs/dbraw/zinc/60/16/27/388601627.db2.gz XAKANUVMTZSXMC-ITKZLYELSA-N 0 3 214.312 3.175 20 30 BGEDHN CC/C=C/CN[C@H](C)c1ccc(C#N)cc1 ZINC000296624206 388601869 /nfs/dbraw/zinc/60/18/69/388601869.db2.gz XAKANUVMTZSXMC-ZYOFXKKJSA-N 0 3 214.312 3.175 20 30 BGEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccco1 ZINC000296627345 136375989 /nfs/dbraw/zinc/37/59/89/136375989.db2.gz XETCNUKWCWWBHY-SRVKXCTJSA-N 0 3 218.300 3.013 20 30 BGEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccco1 ZINC000296627348 135193134 /nfs/dbraw/zinc/19/31/34/135193134.db2.gz XETCNUKWCWWBHY-WOPDTQHZSA-N 0 3 218.300 3.013 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C(C)=O)cc1 ZINC000296635065 135192621 /nfs/dbraw/zinc/19/26/21/135192621.db2.gz VXFJQRUETNYSMQ-UHFFFAOYSA-N 0 3 231.339 3.287 20 30 BGEDHN C=CCN(CCc1ccccc1)[C@@H](C)CCC#N ZINC000297739064 135196727 /nfs/dbraw/zinc/19/67/27/135196727.db2.gz CLBBTIJIEUPJAB-HNNXBMFYSA-N 0 3 242.366 3.409 20 30 BGEDHN C=CCN(CCc1ccccc1)[C@H](C)CCC#N ZINC000297739067 135196316 /nfs/dbraw/zinc/19/63/16/135196316.db2.gz CLBBTIJIEUPJAB-OAHLLOKOSA-N 0 3 242.366 3.409 20 30 BGEDHN C=CCN(CC=C)[C@H](C)c1ccc(C#N)cc1 ZINC000297795439 384918909 /nfs/dbraw/zinc/91/89/09/384918909.db2.gz HOXMREMWAAKPPA-CYBMUJFWSA-N 0 3 226.323 3.293 20 30 BGEDHN C=CCN(CC=C)[C@@H](C)c1ccc(C#N)cc1 ZINC000297795442 384919220 /nfs/dbraw/zinc/91/92/20/384919220.db2.gz HOXMREMWAAKPPA-ZDUSSCGKSA-N 0 3 226.323 3.293 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@@H](C)CCC#N ZINC000297795577 135197088 /nfs/dbraw/zinc/19/70/88/135197088.db2.gz HPOQIAWXDCOTHT-AWEZNQCLSA-N 0 3 228.339 3.367 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@H](C)CCC#N ZINC000297795582 135197099 /nfs/dbraw/zinc/19/70/99/135197099.db2.gz HPOQIAWXDCOTHT-CQSZACIVSA-N 0 3 228.339 3.367 20 30 BGEDHN CCN(Cc1ccc(OC)cc1)[C@H](C)CCC#N 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/nfs/dbraw/zinc/19/75/44/135197544.db2.gz UXHRAEZBBUHDLX-CVEARBPZSA-N 0 3 240.350 3.367 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000297966338 135197485 /nfs/dbraw/zinc/19/74/85/135197485.db2.gz UXHRAEZBBUHDLX-HOTGVXAUSA-N 0 3 240.350 3.367 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297966342 135197943 /nfs/dbraw/zinc/19/79/43/135197943.db2.gz UXHRAEZBBUHDLX-HZPDHXFCSA-N 0 3 240.350 3.367 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297966345 135197472 /nfs/dbraw/zinc/19/74/72/135197472.db2.gz UXHRAEZBBUHDLX-JKSUJKDBSA-N 0 3 240.350 3.367 20 30 BGEDHN C=CCN(CCc1ccco1)[C@H](C)CCC#N ZINC000298021164 135197997 /nfs/dbraw/zinc/19/79/97/135197997.db2.gz AHYGKFWTDFWAOJ-CYBMUJFWSA-N 0 3 232.327 3.002 20 30 BGEDHN C=CCN(CCc1ccco1)[C@@H](C)CCC#N ZINC000298021167 135197390 /nfs/dbraw/zinc/19/73/90/135197390.db2.gz AHYGKFWTDFWAOJ-ZDUSSCGKSA-N 0 3 232.327 3.002 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056473 135198070 /nfs/dbraw/zinc/19/80/70/135198070.db2.gz IJLROEISQYNXTE-GXTWGEPZSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@H](c2cccc(F)c2)C1 ZINC000298056475 135197370 /nfs/dbraw/zinc/19/73/70/135197370.db2.gz IJLROEISQYNXTE-JSGCOSHPSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@H](c2cccc(F)c2)C1 ZINC000298056477 135197918 /nfs/dbraw/zinc/19/79/18/135197918.db2.gz IJLROEISQYNXTE-OCCSQVGLSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056480 135197451 /nfs/dbraw/zinc/19/74/51/135197451.db2.gz IJLROEISQYNXTE-TZMCWYRMSA-N 0 3 246.329 3.307 20 30 BGEDHN CCOc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000298070854 535411836 /nfs/dbraw/zinc/41/18/36/535411836.db2.gz CJOVLUICNAURHD-GFCCVEGCSA-N 0 3 232.327 3.040 20 30 BGEDHN CCOc1ccc([C@H](C)NCCCC#N)cc1 ZINC000298070857 135197659 /nfs/dbraw/zinc/19/76/59/135197659.db2.gz CJOVLUICNAURHD-LBPRGKRZSA-N 0 3 232.327 3.040 20 30 BGEDHN Cc1cccc(CN(C)[C@H](C)CCC#N)c1C ZINC000298099727 135197860 /nfs/dbraw/zinc/19/78/60/135197860.db2.gz ITGMHPVLMIKKTB-CYBMUJFWSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1cccc(CN(C)[C@@H](C)CCC#N)c1C ZINC000298099733 135197405 /nfs/dbraw/zinc/19/74/05/135197405.db2.gz ITGMHPVLMIKKTB-ZDUSSCGKSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1cccc(CN(C)CCCC#N)c1C ZINC000298244676 135198236 /nfs/dbraw/zinc/19/82/36/135198236.db2.gz JMBVQRXWNRSXBG-UHFFFAOYSA-N 0 3 216.328 3.039 20 30 BGEDHN Cc1ccc(CN(C)[C@@H](C)CCC#N)s1 ZINC000298287550 352498388 /nfs/dbraw/zinc/49/83/88/352498388.db2.gz XLVGNXOUTHVNMC-JTQLQIEISA-N 0 3 222.357 3.181 20 30 BGEDHN Cc1ccc(CN(C)[C@H](C)CCC#N)s1 ZINC000298287556 352498524 /nfs/dbraw/zinc/49/85/24/352498524.db2.gz XLVGNXOUTHVNMC-SNVBAGLBSA-N 0 3 222.357 3.181 20 30 BGEDHN Cc1cccc(CN(C)[C@H](C)CCC#N)c1 ZINC000298302164 352498817 /nfs/dbraw/zinc/49/88/17/352498817.db2.gz YDTZPSAWNYEUCH-CYBMUJFWSA-N 0 3 216.328 3.119 20 30 BGEDHN Cc1cccc(CN(C)[C@@H](C)CCC#N)c1 ZINC000298302167 352498360 /nfs/dbraw/zinc/49/83/60/352498360.db2.gz YDTZPSAWNYEUCH-ZDUSSCGKSA-N 0 3 216.328 3.119 20 30 BGEDHN C[C@@H](CCC#N)N(C)CC1(c2ccccc2)CC1 ZINC000298346520 352500422 /nfs/dbraw/zinc/50/04/22/352500422.db2.gz BSHCBUBVGWFHII-AWEZNQCLSA-N 0 3 242.366 3.342 20 30 BGEDHN C[C@H](CCC#N)N(C)CC1(c2ccccc2)CC1 ZINC000298346526 386327398 /nfs/dbraw/zinc/32/73/98/386327398.db2.gz BSHCBUBVGWFHII-CQSZACIVSA-N 0 3 242.366 3.342 20 30 BGEDHN Cc1ccccc1CCN(C)[C@@H](C)CCC#N ZINC000298471570 135199283 /nfs/dbraw/zinc/19/92/83/135199283.db2.gz SITDDRNTHTZNSW-AWEZNQCLSA-N 0 3 230.355 3.162 20 30 BGEDHN Cc1ccccc1CCN(C)[C@H](C)CCC#N ZINC000298471573 135198902 /nfs/dbraw/zinc/19/89/02/135198902.db2.gz SITDDRNTHTZNSW-CQSZACIVSA-N 0 3 230.355 3.162 20 30 BGEDHN C[C@@H](CCC#N)N1CCC=C(c2ccccc2)C1 ZINC000298605742 135199540 /nfs/dbraw/zinc/19/95/40/135199540.db2.gz STMRUPZYSRZVKE-AWEZNQCLSA-N 0 3 240.350 3.468 20 30 BGEDHN C[C@H](CCC#N)N1CCC=C(c2ccccc2)C1 ZINC000298605745 135199749 /nfs/dbraw/zinc/19/97/49/135199749.db2.gz STMRUPZYSRZVKE-CQSZACIVSA-N 0 3 240.350 3.468 20 30 BGEDHN Cc1cccc2c1CN([C@H](C)CCC#N)CC2 ZINC000298621255 135199959 /nfs/dbraw/zinc/19/99/59/135199959.db2.gz UUVAFSFPYBMCRH-CYBMUJFWSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1cccc2c1CN([C@@H](C)CCC#N)CC2 ZINC000298621257 135199571 /nfs/dbraw/zinc/19/95/71/135199571.db2.gz UUVAFSFPYBMCRH-ZDUSSCGKSA-N 0 3 228.339 3.045 20 30 BGEDHN C[C@H](CCC#N)N1CCC=C(c2ccco2)C1 ZINC000298630740 135199635 /nfs/dbraw/zinc/19/96/35/135199635.db2.gz VWZDZTWUBZDODD-GFCCVEGCSA-N 0 3 230.311 3.061 20 30 BGEDHN C[C@@H](CCC#N)N1CCC=C(c2ccco2)C1 ZINC000298630742 135199909 /nfs/dbraw/zinc/19/99/09/135199909.db2.gz VWZDZTWUBZDODD-LBPRGKRZSA-N 0 3 230.311 3.061 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655874 135200145 /nfs/dbraw/zinc/20/01/45/135200145.db2.gz QQFGFEGZDRUSQQ-GXTWGEPZSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655885 135200543 /nfs/dbraw/zinc/20/05/43/135200543.db2.gz QQFGFEGZDRUSQQ-JSGCOSHPSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655898 135200519 /nfs/dbraw/zinc/20/05/19/135200519.db2.gz QQFGFEGZDRUSQQ-OCCSQVGLSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655910 135200188 /nfs/dbraw/zinc/20/01/88/135200188.db2.gz QQFGFEGZDRUSQQ-TZMCWYRMSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccccc1 ZINC000298839487 135201242 /nfs/dbraw/zinc/20/12/42/135201242.db2.gz HWAPSFAZTZGNQB-NWDGAFQWSA-N 0 3 202.301 3.029 20 30 BGEDHN C[C@H](CCC#N)N[C@H](C)c1ccccc1 ZINC000298839492 135201515 /nfs/dbraw/zinc/20/15/15/135201515.db2.gz HWAPSFAZTZGNQB-VXGBXAGGSA-N 0 3 202.301 3.029 20 30 BGEDHN C=CCN(CCc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000299057753 135201235 /nfs/dbraw/zinc/20/12/35/135201235.db2.gz SKSXGWHLYDCHCD-KBPBESRZSA-N 0 3 244.338 3.002 20 30 BGEDHN C=CCN(CCc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000299057754 135201017 /nfs/dbraw/zinc/20/10/17/135201017.db2.gz SKSXGWHLYDCHCD-KGLIPLIRSA-N 0 3 244.338 3.002 20 30 BGEDHN C=CCN(CCc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000299057756 135200749 /nfs/dbraw/zinc/20/07/49/135200749.db2.gz SKSXGWHLYDCHCD-UONOGXRCSA-N 0 3 244.338 3.002 20 30 BGEDHN C=CCN(CCc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000299057758 135201415 /nfs/dbraw/zinc/20/14/15/135201415.db2.gz SKSXGWHLYDCHCD-ZIAGYGMSSA-N 0 3 244.338 3.002 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H](C)CCC#N)ccc1F ZINC000299121437 135201640 /nfs/dbraw/zinc/20/16/40/135201640.db2.gz VUOIUYGZFTUSHP-NWDGAFQWSA-N 0 3 234.318 3.477 20 30 BGEDHN Cc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1F ZINC000299121448 135201833 /nfs/dbraw/zinc/20/18/33/135201833.db2.gz VUOIUYGZFTUSHP-VXGBXAGGSA-N 0 3 234.318 3.477 20 30 BGEDHN CC[C@H](NCCC#N)C(C)(C)c1ccccc1 ZINC000299144657 135201952 /nfs/dbraw/zinc/20/19/52/135201952.db2.gz WOQPSXURSSAWBJ-AWEZNQCLSA-N 0 3 230.355 3.246 20 30 BGEDHN CC[C@@H](NCCC#N)C(C)(C)c1ccccc1 ZINC000299144666 535803253 /nfs/dbraw/zinc/80/32/53/535803253.db2.gz WOQPSXURSSAWBJ-CQSZACIVSA-N 0 3 230.355 3.246 20 30 BGEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCC#N ZINC000299192043 135202340 /nfs/dbraw/zinc/20/23/40/135202340.db2.gz DGRHMRGGKKVQAU-CYBMUJFWSA-N 0 3 246.354 3.296 20 30 BGEDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)CCC#N ZINC000299192043 135202339 /nfs/dbraw/zinc/20/23/39/135202339.db2.gz DGRHMRGGKKVQAU-CYBMUJFWSA-N 0 3 246.354 3.296 20 30 BGEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCC#N ZINC000299192046 135202218 /nfs/dbraw/zinc/20/22/18/135202218.db2.gz DGRHMRGGKKVQAU-ZDUSSCGKSA-N 0 3 246.354 3.296 20 30 BGEDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCC#N ZINC000299192046 135202216 /nfs/dbraw/zinc/20/22/16/135202216.db2.gz DGRHMRGGKKVQAU-ZDUSSCGKSA-N 0 3 246.354 3.296 20 30 BGEDHN C#CCCN1CCc2sccc2[C@H]1CC ZINC000299216549 343398418 /nfs/dbraw/zinc/39/84/18/343398418.db2.gz HULJTVIEJIERQM-GFCCVEGCSA-N 0 3 219.353 3.081 20 30 BGEDHN C#CCCN1CCc2sccc2[C@@H]1CC ZINC000299216554 343398351 /nfs/dbraw/zinc/39/83/51/343398351.db2.gz HULJTVIEJIERQM-LBPRGKRZSA-N 0 3 219.353 3.081 20 30 BGEDHN C#CCCN(CC)Cc1ccc(Cl)s1 ZINC000299235386 343398589 /nfs/dbraw/zinc/39/85/89/343398589.db2.gz RXFRYIBYCMMMRA-UHFFFAOYSA-N 0 3 227.760 3.247 20 30 BGEDHN Cc1cc(C)c2c(c1)CN([C@@H](C)CCC#N)CC2 ZINC000299289912 136291696 /nfs/dbraw/zinc/29/16/96/136291696.db2.gz MHRLXLHDDPITPP-AWEZNQCLSA-N 0 3 242.366 3.354 20 30 BGEDHN Cc1cc(C)c2c(c1)CN([C@H](C)CCC#N)CC2 ZINC000299289913 136291728 /nfs/dbraw/zinc/29/17/28/136291728.db2.gz MHRLXLHDDPITPP-CQSZACIVSA-N 0 3 242.366 3.354 20 30 BGEDHN CC(C)N(CCCC#N)Cc1ccc(F)cc1 ZINC000299339974 535051920 /nfs/dbraw/zinc/05/19/20/535051920.db2.gz DRXBUCKYRLSFRL-UHFFFAOYSA-N 0 3 234.318 3.340 20 30 BGEDHN CCN(CCCC#N)Cc1ccc(Cl)cc1 ZINC000299340089 135203070 /nfs/dbraw/zinc/20/30/70/135203070.db2.gz DUSYIKDVTXNBDZ-UHFFFAOYSA-N 0 3 236.746 3.466 20 30 BGEDHN CCCN(CCCC#N)Cc1ccc(F)cc1 ZINC000299405809 535329407 /nfs/dbraw/zinc/32/94/07/535329407.db2.gz XNWDKKWYZVCNHO-UHFFFAOYSA-N 0 3 234.318 3.341 20 30 BGEDHN N#CCCNC1(Cc2ccccc2)CCCC1 ZINC000299420956 135203318 /nfs/dbraw/zinc/20/33/18/135203318.db2.gz UMONHLJHHUEMPH-UHFFFAOYSA-N 0 3 228.339 3.045 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@@H](c2ccccc2F)C1 ZINC000299441504 135204335 /nfs/dbraw/zinc/20/43/35/135204335.db2.gz YHAKCMKMQVRLMG-CHWSQXEVSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](CCC#N)N1CC[C@H](c2ccccc2F)C1 ZINC000299441511 135204321 /nfs/dbraw/zinc/20/43/21/135204321.db2.gz YHAKCMKMQVRLMG-OLZOCXBDSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@@H](c2ccccc2F)C1 ZINC000299441517 135204643 /nfs/dbraw/zinc/20/46/43/135204643.db2.gz YHAKCMKMQVRLMG-QWHCGFSZSA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@@H](CCC#N)N1CC[C@H](c2ccccc2F)C1 ZINC000299441523 135204273 /nfs/dbraw/zinc/20/42/73/135204273.db2.gz YHAKCMKMQVRLMG-STQMWFEESA-N 0 3 246.329 3.307 20 30 BGEDHN C[C@H](NCCC#N)C1(c2ccccc2)CCCC1 ZINC000299449924 135204420 /nfs/dbraw/zinc/20/44/20/135204420.db2.gz WOCZSOCNOLDLMS-AWEZNQCLSA-N 0 3 242.366 3.390 20 30 BGEDHN C[C@@H](NCCC#N)C1(c2ccccc2)CCCC1 ZINC000299449927 135204438 /nfs/dbraw/zinc/20/44/38/135204438.db2.gz WOCZSOCNOLDLMS-CQSZACIVSA-N 0 3 242.366 3.390 20 30 BGEDHN N#CCCNC1(Cc2ccccc2)CCCCC1 ZINC000299453594 135204328 /nfs/dbraw/zinc/20/43/28/135204328.db2.gz WWLKCQYCANEHPL-UHFFFAOYSA-N 0 3 242.366 3.435 20 30 BGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccccc1 ZINC000299585035 135205012 /nfs/dbraw/zinc/20/50/12/135205012.db2.gz HWAPSFAZTZGNQB-NEPJUHHUSA-N 0 3 202.301 3.029 20 30 BGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccccc1 ZINC000299585045 135205465 /nfs/dbraw/zinc/20/54/65/135205465.db2.gz HWAPSFAZTZGNQB-RYUDHWBXSA-N 0 3 202.301 3.029 20 30 BGEDHN CC[C@H](N[C@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588033 135205471 /nfs/dbraw/zinc/20/54/71/135205471.db2.gz IAJGGXORLUGKNF-DOMZBBRYSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588036 135204874 /nfs/dbraw/zinc/20/48/74/135204874.db2.gz IAJGGXORLUGKNF-IUODEOHRSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588041 535807991 /nfs/dbraw/zinc/80/79/91/535807991.db2.gz IAJGGXORLUGKNF-SWLSCSKDSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588045 135205100 /nfs/dbraw/zinc/20/51/00/135205100.db2.gz IAJGGXORLUGKNF-WFASDCNBSA-N 0 3 246.354 3.428 20 30 BGEDHN C[C@H](CCC#N)N1Cc2ccccc2C(C)(C)C1 ZINC000299628472 135205692 /nfs/dbraw/zinc/20/56/92/135205692.db2.gz JVMYCEILQYFTQD-CYBMUJFWSA-N 0 3 242.366 3.472 20 30 BGEDHN C[C@@H](CCC#N)N1Cc2ccccc2C(C)(C)C1 ZINC000299628477 135206156 /nfs/dbraw/zinc/20/61/56/135206156.db2.gz JVMYCEILQYFTQD-ZDUSSCGKSA-N 0 3 242.366 3.472 20 30 BGEDHN CN(CCCCC#N)Cc1ccc(F)cc1F ZINC000299651079 135205678 /nfs/dbraw/zinc/20/56/78/135205678.db2.gz ZWDGXVKBCPGXIQ-UHFFFAOYSA-N 0 3 238.281 3.090 20 30 BGEDHN COc1cccc([C@H](C)N[C@H](C)CCC#N)c1 ZINC000299708849 135206642 /nfs/dbraw/zinc/20/66/42/135206642.db2.gz QBCYKSBZKYIIKX-NEPJUHHUSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1 ZINC000299708850 135206509 /nfs/dbraw/zinc/20/65/09/135206509.db2.gz QBCYKSBZKYIIKX-NWDGAFQWSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1cccc([C@H](C)N[C@@H](C)CCC#N)c1 ZINC000299709048 135206550 /nfs/dbraw/zinc/20/65/50/135206550.db2.gz QBCYKSBZKYIIKX-RYUDHWBXSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1cccc([C@@H](C)N[C@H](C)CCC#N)c1 ZINC000299709079 135206466 /nfs/dbraw/zinc/20/64/66/135206466.db2.gz QBCYKSBZKYIIKX-VXGBXAGGSA-N 0 3 232.327 3.038 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000299711824 135206621 /nfs/dbraw/zinc/20/66/21/135206621.db2.gz QNNYRGYXULXMLD-CHWSQXEVSA-N 0 3 216.328 3.338 20 30 BGEDHN Cc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000299711825 135206516 /nfs/dbraw/zinc/20/65/16/135206516.db2.gz QNNYRGYXULXMLD-OLZOCXBDSA-N 0 3 216.328 3.338 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299711826 135206511 /nfs/dbraw/zinc/20/65/11/135206511.db2.gz QNNYRGYXULXMLD-QWHCGFSZSA-N 0 3 216.328 3.338 20 30 BGEDHN Cc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299711827 135206476 /nfs/dbraw/zinc/20/64/76/135206476.db2.gz QNNYRGYXULXMLD-STQMWFEESA-N 0 3 216.328 3.338 20 30 BGEDHN COc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000299712622 135206492 /nfs/dbraw/zinc/20/64/92/135206492.db2.gz QRZWWADVYYGHOT-NEPJUHHUSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299712625 135206707 /nfs/dbraw/zinc/20/67/07/135206707.db2.gz QRZWWADVYYGHOT-NWDGAFQWSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299712628 536902117 /nfs/dbraw/zinc/90/21/17/536902117.db2.gz QRZWWADVYYGHOT-RYUDHWBXSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000299712631 135206457 /nfs/dbraw/zinc/20/64/57/135206457.db2.gz QRZWWADVYYGHOT-VXGBXAGGSA-N 0 3 232.327 3.038 20 30 BGEDHN CCOc1cccc([C@@H](C)N[C@H](C)CCC#N)c1 ZINC000299719410 135206417 /nfs/dbraw/zinc/20/64/17/135206417.db2.gz SBPOXPVUIYHYAE-CHWSQXEVSA-N 0 3 246.354 3.428 20 30 BGEDHN CCOc1cccc([C@H](C)N[C@H](C)CCC#N)c1 ZINC000299719411 135206398 /nfs/dbraw/zinc/20/63/98/135206398.db2.gz SBPOXPVUIYHYAE-OLZOCXBDSA-N 0 3 246.354 3.428 20 30 BGEDHN CCOc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1 ZINC000299719412 135206442 /nfs/dbraw/zinc/20/64/42/135206442.db2.gz SBPOXPVUIYHYAE-QWHCGFSZSA-N 0 3 246.354 3.428 20 30 BGEDHN CCOc1cccc([C@H](C)N[C@@H](C)CCC#N)c1 ZINC000299719413 135206576 /nfs/dbraw/zinc/20/65/76/135206576.db2.gz SBPOXPVUIYHYAE-STQMWFEESA-N 0 3 246.354 3.428 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@H](C)CCC#N ZINC000299720181 135206436 /nfs/dbraw/zinc/20/64/36/135206436.db2.gz SCVXITHJEBHCRN-NEPJUHHUSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@@H](C)CCC#N ZINC000299720182 135206507 /nfs/dbraw/zinc/20/65/07/135206507.db2.gz SCVXITHJEBHCRN-NWDGAFQWSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccccc1[C@H](C)N[C@@H](C)CCC#N ZINC000299720184 135206579 /nfs/dbraw/zinc/20/65/79/135206579.db2.gz SCVXITHJEBHCRN-RYUDHWBXSA-N 0 3 232.327 3.038 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@H](C)CCC#N ZINC000299720186 135206470 /nfs/dbraw/zinc/20/64/70/135206470.db2.gz SCVXITHJEBHCRN-VXGBXAGGSA-N 0 3 232.327 3.038 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300011901 487903173 /nfs/dbraw/zinc/90/31/73/487903173.db2.gz MVKGTQZGROCENV-FPMFFAJLSA-N 0 3 220.360 3.261 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CC(C)=C[C@H](C)C1 ZINC000300011903 487903140 /nfs/dbraw/zinc/90/31/40/487903140.db2.gz MVKGTQZGROCENV-IACUBPJLSA-N 0 3 220.360 3.261 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000300235527 387919231 /nfs/dbraw/zinc/91/92/31/387919231.db2.gz BLEKCMHYRDGYBP-BFHYXJOUSA-N 0 3 222.376 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000300235528 387919173 /nfs/dbraw/zinc/91/91/73/387919173.db2.gz BLEKCMHYRDGYBP-MJBXVCDLSA-N 0 3 222.376 3.483 20 30 BGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000300239687 177165464 /nfs/dbraw/zinc/16/54/64/177165464.db2.gz CDXYCJASDAIQDV-NWDGAFQWSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000300239688 176305265 /nfs/dbraw/zinc/30/52/65/176305265.db2.gz CDXYCJASDAIQDV-VXGBXAGGSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)C[C@@H]1CCC[C@@H](NC[C@H](C)C#N)C1 ZINC000300240316 342964331 /nfs/dbraw/zinc/96/43/31/342964331.db2.gz DHOOMJIVUREOKP-HZSPNIEDSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)C[C@@H]1CCC[C@H](NC[C@H](C)C#N)C1 ZINC000300240317 342964287 /nfs/dbraw/zinc/96/42/87/342964287.db2.gz DHOOMJIVUREOKP-RDBSUJKOSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1C ZINC000300240574 384412877 /nfs/dbraw/zinc/41/28/77/384412877.db2.gz QQGWPMRJTAOERS-NEPJUHHUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1C ZINC000300240575 177102379 /nfs/dbraw/zinc/10/23/79/177102379.db2.gz QQGWPMRJTAOERS-RYUDHWBXSA-N 0 3 246.329 3.318 20 30 BGEDHN C=C(Cl)CN[C@H]1CCC[C@@H]1SCC ZINC000300395331 592510174 /nfs/dbraw/zinc/51/01/74/592510174.db2.gz ZHIWAKLJRBASGX-UWVGGRQHSA-N 0 3 219.781 3.003 20 30 BGEDHN C#C[C@H](NCc1ccc(SC)cc1)C(C)C ZINC000300736461 592518429 /nfs/dbraw/zinc/51/84/29/592518429.db2.gz AEMVDWPUCNQFFI-AWEZNQCLSA-N 0 3 233.380 3.156 20 30 BGEDHN C#C[C@@H](NCc1ccc(SC)cc1)C(C)C ZINC000300736463 592518688 /nfs/dbraw/zinc/51/86/88/592518688.db2.gz AEMVDWPUCNQFFI-CQSZACIVSA-N 0 3 233.380 3.156 20 30 BGEDHN C#C[C@@H](NCc1cc(Cl)cs1)C(C)C ZINC000300819806 592521514 /nfs/dbraw/zinc/52/15/14/592521514.db2.gz AXHOAXXLQVJDGX-LLVKDONJSA-N 0 3 227.760 3.149 20 30 BGEDHN C#C[C@H](NCc1cc(Cl)cs1)C(C)C ZINC000300819813 592521522 /nfs/dbraw/zinc/52/15/22/592521522.db2.gz AXHOAXXLQVJDGX-NSHDSACASA-N 0 3 227.760 3.149 20 30 BGEDHN C#C[C@H](NCc1cc(C)cc(C)c1)C(C)C ZINC000300827944 592521425 /nfs/dbraw/zinc/52/14/25/592521425.db2.gz BSTZONMPOPSUNY-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1cc(C)cc(C)c1)C(C)C ZINC000300827948 582609957 /nfs/dbraw/zinc/60/99/57/582609957.db2.gz BSTZONMPOPSUNY-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1cc(C)sc1C)C(C)C ZINC000300837107 582592776 /nfs/dbraw/zinc/59/27/76/582592776.db2.gz CQXBZRVSKVKPET-CYBMUJFWSA-N 0 3 221.369 3.112 20 30 BGEDHN C#C[C@H](NCc1cc(C)sc1C)C(C)C ZINC000300837109 592521451 /nfs/dbraw/zinc/52/14/51/592521451.db2.gz CQXBZRVSKVKPET-ZDUSSCGKSA-N 0 3 221.369 3.112 20 30 BGEDHN C#C[C@H](NCc1cccc(C)c1C)C(C)C ZINC000300841597 582610015 /nfs/dbraw/zinc/61/00/15/582610015.db2.gz DIFWDWCBOYMJFO-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1cccc(C)c1C)C(C)C ZINC000300841599 592522547 /nfs/dbraw/zinc/52/25/47/592522547.db2.gz DIFWDWCBOYMJFO-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1ccc(Cl)c(F)c1)C(C)C ZINC000300852944 645897958 /nfs/dbraw/zinc/89/79/58/645897958.db2.gz FNEVZIIMKHGDPW-CYBMUJFWSA-N 0 3 239.721 3.227 20 30 BGEDHN C#C[C@H](NCc1ccc(Cl)c(F)c1)C(C)C ZINC000300852946 645898548 /nfs/dbraw/zinc/89/85/48/645898548.db2.gz FNEVZIIMKHGDPW-ZDUSSCGKSA-N 0 3 239.721 3.227 20 30 BGEDHN C#C[C@H](NCc1cc(C)ccc1C)C(C)C ZINC000300876279 592523685 /nfs/dbraw/zinc/52/36/85/592523685.db2.gz IFNPMAHQUVNKFC-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1cc(C)ccc1C)C(C)C ZINC000300876280 592523955 /nfs/dbraw/zinc/52/39/55/592523955.db2.gz IFNPMAHQUVNKFC-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@H](NCc1ccc(C)cc1C)C(C)C ZINC000300878864 585702529 /nfs/dbraw/zinc/70/25/29/585702529.db2.gz IPJDLIBZPGHQIE-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1ccc(C)cc1C)C(C)C ZINC000300878868 585702678 /nfs/dbraw/zinc/70/26/78/585702678.db2.gz IPJDLIBZPGHQIE-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@H](NCc1ccc(Cl)s1)C(C)C ZINC000300880160 582594817 /nfs/dbraw/zinc/59/48/17/582594817.db2.gz ISYCURMLJJNOCC-JTQLQIEISA-N 0 3 227.760 3.149 20 30 BGEDHN C#C[C@@H](NCc1ccc(Cl)s1)C(C)C ZINC000300880161 592523697 /nfs/dbraw/zinc/52/36/97/592523697.db2.gz ISYCURMLJJNOCC-SNVBAGLBSA-N 0 3 227.760 3.149 20 30 BGEDHN C#C[C@@H](NCc1ccc(F)c(Cl)c1)C(C)C ZINC000300895483 592524615 /nfs/dbraw/zinc/52/46/15/592524615.db2.gz VCWCLCPTUMCDLT-CYBMUJFWSA-N 0 3 239.721 3.227 20 30 BGEDHN C#C[C@H](NCc1ccc(F)c(Cl)c1)C(C)C ZINC000300895487 592524709 /nfs/dbraw/zinc/52/47/09/592524709.db2.gz VCWCLCPTUMCDLT-ZDUSSCGKSA-N 0 3 239.721 3.227 20 30 BGEDHN C#C[C@@H](NCc1cc(F)cc(Cl)c1)C(C)C ZINC000300898227 585702811 /nfs/dbraw/zinc/70/28/11/585702811.db2.gz KQBVXDPRWCGODL-CYBMUJFWSA-N 0 3 239.721 3.227 20 30 BGEDHN C#C[C@H](NCc1c(C)cccc1C)C(C)C ZINC000300907544 592524196 /nfs/dbraw/zinc/52/41/96/592524196.db2.gz LNCDIXDBIDKCEL-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1c(C)cccc1C)C(C)C ZINC000300907546 592524229 /nfs/dbraw/zinc/52/42/29/592524229.db2.gz LNCDIXDBIDKCEL-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@H](NCc1ccc(C)c(C)c1)C(C)C ZINC000300915116 582620453 /nfs/dbraw/zinc/62/04/53/582620453.db2.gz MHHFEZPJMNMTER-HNNXBMFYSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1ccc(C)c(C)c1)C(C)C ZINC000300915117 582622423 /nfs/dbraw/zinc/62/24/23/582622423.db2.gz MHHFEZPJMNMTER-OAHLLOKOSA-N 0 3 215.340 3.051 20 30 BGEDHN C#C[C@@H](NCc1cccc(Cl)c1)C(C)C ZINC000300971068 582597108 /nfs/dbraw/zinc/59/71/08/582597108.db2.gz SCKQREJTBITSAN-CYBMUJFWSA-N 0 3 221.731 3.087 20 30 BGEDHN C#C[C@H](NCc1cccc(Cl)c1)C(C)C ZINC000300971069 645899635 /nfs/dbraw/zinc/89/96/35/645899635.db2.gz SCKQREJTBITSAN-ZDUSSCGKSA-N 0 3 221.731 3.087 20 30 BGEDHN C#C[C@@H](NCc1ccc(CC)s1)C(C)C ZINC000301016370 592526579 /nfs/dbraw/zinc/52/65/79/592526579.db2.gz ZSGPPFBSEAATBZ-CYBMUJFWSA-N 0 3 221.369 3.058 20 30 BGEDHN C#C[C@H](NCc1ccc(CC)s1)C(C)C ZINC000301016371 592527202 /nfs/dbraw/zinc/52/72/02/592527202.db2.gz ZSGPPFBSEAATBZ-ZDUSSCGKSA-N 0 3 221.369 3.058 20 30 BGEDHN C=CCOCCN[C@@H](CC)c1ccc(F)cc1 ZINC000301762419 490585015 /nfs/dbraw/zinc/58/50/15/490585015.db2.gz RDPAKUJZGLJOLV-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCN[C@H](CC)c1ccc(F)cc1 ZINC000301762421 490584499 /nfs/dbraw/zinc/58/44/99/490584499.db2.gz RDPAKUJZGLJOLV-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCN[C@@H](CC)c1ccccc1F ZINC000301762454 491072846 /nfs/dbraw/zinc/07/28/46/491072846.db2.gz RUVRHTLOFALBMD-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCN[C@H](CC)c1ccccc1F ZINC000301762456 487745062 /nfs/dbraw/zinc/74/50/62/487745062.db2.gz RUVRHTLOFALBMD-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCNCc1ccc(C(C)(C)C)cc1 ZINC000301763139 490584754 /nfs/dbraw/zinc/58/47/54/490584754.db2.gz VKLAYAONEPWLND-UHFFFAOYSA-N 0 3 247.382 3.276 20 30 BGEDHN C=CCOCCN[C@@H](CC)c1cccc(F)c1 ZINC000301949065 490588239 /nfs/dbraw/zinc/58/82/39/490588239.db2.gz NKAOITPGXOBEER-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCN[C@H](CC)c1cccc(F)c1 ZINC000301949066 490588257 /nfs/dbraw/zinc/58/82/57/490588257.db2.gz NKAOITPGXOBEER-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C#C[C@H](NCc1c(C)oc2ccccc21)C(C)C ZINC000302361676 592546445 /nfs/dbraw/zinc/54/64/45/592546445.db2.gz NUYPGDSZSDXGSC-HNNXBMFYSA-N 0 3 241.334 3.489 20 30 BGEDHN C#C[C@@H](NCc1c(C)oc2ccccc21)C(C)C ZINC000302361678 592546648 /nfs/dbraw/zinc/54/66/48/592546648.db2.gz NUYPGDSZSDXGSC-OAHLLOKOSA-N 0 3 241.334 3.489 20 30 BGEDHN C#C[C@H](NCc1ccccc1C1CC1)C(C)C ZINC000302384532 592547376 /nfs/dbraw/zinc/54/73/76/592547376.db2.gz PYJZONXWUTZVQQ-INIZCTEOSA-N 0 3 227.351 3.311 20 30 BGEDHN C#C[C@@H](NCc1ccccc1C1CC1)C(C)C ZINC000302384534 592547874 /nfs/dbraw/zinc/54/78/74/592547874.db2.gz PYJZONXWUTZVQQ-MRXNPFEDSA-N 0 3 227.351 3.311 20 30 BGEDHN C#C[C@H](NCc1cccc(OCCC)c1)C(C)C ZINC000302430023 592547752 /nfs/dbraw/zinc/54/77/52/592547752.db2.gz VERMBYWQDLBETL-INIZCTEOSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](NCc1cccc(OCCC)c1)C(C)C ZINC000302430024 592547603 /nfs/dbraw/zinc/54/76/03/592547603.db2.gz VERMBYWQDLBETL-MRXNPFEDSA-N 0 3 245.366 3.223 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@H]1CCCC(F)(F)C1 ZINC000302432432 347550793 /nfs/dbraw/zinc/55/07/93/347550793.db2.gz MQJNZJUTKDAOJS-NEPJUHHUSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@@H]1CCCC(F)(F)C1 ZINC000302432433 347550307 /nfs/dbraw/zinc/55/03/07/347550307.db2.gz MQJNZJUTKDAOJS-NWDGAFQWSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@H]1CCCC(F)(F)C1 ZINC000302432434 347550585 /nfs/dbraw/zinc/55/05/85/347550585.db2.gz MQJNZJUTKDAOJS-RYUDHWBXSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCCC(F)(F)C1 ZINC000302432435 347550531 /nfs/dbraw/zinc/55/05/31/347550531.db2.gz MQJNZJUTKDAOJS-VXGBXAGGSA-N 0 3 244.329 3.293 20 30 BGEDHN C#C[C@H](NCc1coc2ccccc12)C(C)C ZINC000302438012 592547740 /nfs/dbraw/zinc/54/77/40/592547740.db2.gz WDMRRTHXJCJSLO-AWEZNQCLSA-N 0 3 227.307 3.180 20 30 BGEDHN C#C[C@@H](NCc1coc2ccccc12)C(C)C ZINC000302438013 592547413 /nfs/dbraw/zinc/54/74/13/592547413.db2.gz WDMRRTHXJCJSLO-CQSZACIVSA-N 0 3 227.307 3.180 20 30 BGEDHN C#C[C@H](NCc1ccc(OCCC)cc1)C(C)C ZINC000302450713 592548717 /nfs/dbraw/zinc/54/87/17/592548717.db2.gz XIUOOZSMISTRMG-INIZCTEOSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](NCc1ccc(OCCC)cc1)C(C)C ZINC000302450714 583506842 /nfs/dbraw/zinc/50/68/42/583506842.db2.gz XIUOOZSMISTRMG-MRXNPFEDSA-N 0 3 245.366 3.223 20 30 BGEDHN 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C=CCCCCCSCCN(C)C ZINC000308278256 134886414 /nfs/dbraw/zinc/88/64/14/134886414.db2.gz WQTRCOJDABEUCP-UHFFFAOYSA-N 0 3 201.379 3.028 20 30 BGEDHN C=C(C)CN(CC)C[C@H]1CC1(Cl)Cl ZINC000308400703 631324118 /nfs/dbraw/zinc/32/41/18/631324118.db2.gz GZFXCLVOSBAEQG-SECBINFHSA-N 0 3 222.159 3.078 20 30 BGEDHN C=C(C)CN(CC)C[C@@H]1CC1(Cl)Cl ZINC000308400704 631324403 /nfs/dbraw/zinc/32/44/03/631324403.db2.gz GZFXCLVOSBAEQG-VIFPVBQESA-N 0 3 222.159 3.078 20 30 BGEDHN C=C(Cl)CN1CCCC[C@H]1CCC ZINC000308432351 631333043 /nfs/dbraw/zinc/33/30/43/631333043.db2.gz UJIICAUYJIAELD-LLVKDONJSA-N 0 3 201.741 3.394 20 30 BGEDHN C=C(Cl)CN1CCCC[C@@H]1CCC ZINC000308432352 631331345 /nfs/dbraw/zinc/33/13/45/631331345.db2.gz UJIICAUYJIAELD-NSHDSACASA-N 0 3 201.741 3.394 20 30 BGEDHN C=CCNC1(c2ccc(Cl)cc2)CC1 ZINC000308503178 135078045 /nfs/dbraw/zinc/07/80/45/135078045.db2.gz BJAHGHZRGMNVEV-UHFFFAOYSA-N 0 3 207.704 3.105 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccc(Cl)o1 ZINC000308568882 135079536 /nfs/dbraw/zinc/07/95/36/135079536.db2.gz BJGDEZQFDOQBGK-SECBINFHSA-N 0 3 213.708 3.377 20 30 BGEDHN C=CC[C@H](CC)NCc1ccc(Cl)o1 ZINC000308568886 135079569 /nfs/dbraw/zinc/07/95/69/135079569.db2.gz BJGDEZQFDOQBGK-VIFPVBQESA-N 0 3 213.708 3.377 20 30 BGEDHN N#CC1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000308601795 135079680 /nfs/dbraw/zinc/07/96/80/135079680.db2.gz AWELZRPKKSRYLA-UHFFFAOYSA-N 0 3 248.757 3.118 20 30 BGEDHN C=CCNC(C)(C)c1ccc(Cl)cc1 ZINC000308636117 388446151 /nfs/dbraw/zinc/44/61/51/388446151.db2.gz CKAAZBYOMFYMCL-UHFFFAOYSA-N 0 3 209.720 3.351 20 30 BGEDHN C=CCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000308637048 491137518 /nfs/dbraw/zinc/13/75/18/491137518.db2.gz CRXGIBZWLFPQAL-SECBINFHSA-N 0 3 213.708 3.377 20 30 BGEDHN C=CCC[C@H](C)NCc1ccc(Cl)o1 ZINC000308637049 491137511 /nfs/dbraw/zinc/13/75/11/491137511.db2.gz CRXGIBZWLFPQAL-VIFPVBQESA-N 0 3 213.708 3.377 20 30 BGEDHN C=C(C)CCN[C@H](C)c1csc(C)n1 ZINC000308651741 384893137 /nfs/dbraw/zinc/89/31/37/384893137.db2.gz KYRYSASGFVRDCB-SECBINFHSA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1csc(C)n1 ZINC000308651742 384893307 /nfs/dbraw/zinc/89/33/07/384893307.db2.gz KYRYSASGFVRDCB-VIFPVBQESA-N 0 3 210.346 3.068 20 30 BGEDHN C[C@H]1CCCC[C@]1(C)NCc1nc(C#N)cs1 ZINC000308702199 177090010 /nfs/dbraw/zinc/09/00/10/177090010.db2.gz AVCKKTMAYUHIEG-GWCFXTLKSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H]1CCCC[C@@]1(C)NCc1nc(C#N)cs1 ZINC000308702201 177084867 /nfs/dbraw/zinc/08/48/67/177084867.db2.gz AVCKKTMAYUHIEG-GXFFZTMASA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@@H]1CCCC[C@]1(C)NCc1nc(C#N)cs1 ZINC000308702203 176090243 /nfs/dbraw/zinc/09/02/43/176090243.db2.gz AVCKKTMAYUHIEG-MFKMUULPSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@@H]1CCCC[C@@]1(C)NCc1nc(C#N)cs1 ZINC000308702204 176083455 /nfs/dbraw/zinc/08/34/55/176083455.db2.gz AVCKKTMAYUHIEG-ZWNOBZJWSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@@H](NCCOC(C)(C)C)c1cccc(C#N)c1 ZINC000308714666 323177011 /nfs/dbraw/zinc/17/70/11/323177011.db2.gz ASSPTKRLRNMWCF-GFCCVEGCSA-N 0 3 246.354 3.024 20 30 BGEDHN C[C@H](NCCOC(C)(C)C)c1cccc(C#N)c1 ZINC000308714670 323177073 /nfs/dbraw/zinc/17/70/73/323177073.db2.gz ASSPTKRLRNMWCF-LBPRGKRZSA-N 0 3 246.354 3.024 20 30 BGEDHN C[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)o1 ZINC000308719066 229245548 /nfs/dbraw/zinc/24/55/48/229245548.db2.gz AZBUICDMHKNMSY-BXUZGUMPSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)o1 ZINC000308719067 229245430 /nfs/dbraw/zinc/24/54/30/229245430.db2.gz AZBUICDMHKNMSY-FZMZJTMJSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)o1 ZINC000308719068 533634122 /nfs/dbraw/zinc/63/41/22/533634122.db2.gz AZBUICDMHKNMSY-RISCZKNCSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)o1 ZINC000308719069 229245809 /nfs/dbraw/zinc/24/58/09/229245809.db2.gz AZBUICDMHKNMSY-SMDDNHRTSA-N 0 3 232.327 3.210 20 30 BGEDHN N#CCCCCNCc1cscc1Cl ZINC000308727210 370154686 /nfs/dbraw/zinc/15/46/86/370154686.db2.gz HEJULPPGPWFTDD-UHFFFAOYSA-N 0 3 228.748 3.185 20 30 BGEDHN CC(C)(C)CCCN1CCC(C#N)CC1 ZINC000308742246 346907869 /nfs/dbraw/zinc/90/78/69/346907869.db2.gz XFGNXHZSQWVSMK-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN N#Cc1ccc(CN2CCC3(CCC3)CC2)cc1 ZINC000308742484 187306305 /nfs/dbraw/zinc/30/63/05/187306305.db2.gz KGSCSVIVJVQQMK-UHFFFAOYSA-N 0 3 240.350 3.324 20 30 BGEDHN N#Cc1cccc(CN2CCC3(CCC3)CC2)c1 ZINC000308742529 385640337 /nfs/dbraw/zinc/64/03/37/385640337.db2.gz LATAUUXYKAORKN-UHFFFAOYSA-N 0 3 240.350 3.324 20 30 BGEDHN CCN(C[C@H](C)CC(C)C)C[C@H](C)C#N ZINC000308743566 388448504 /nfs/dbraw/zinc/44/85/04/388448504.db2.gz OVNQCMJGHDCBTM-CHWSQXEVSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@H](C)CC(C)C ZINC000308743567 388448267 /nfs/dbraw/zinc/44/82/67/388448267.db2.gz OVNQCMJGHDCBTM-OLZOCXBDSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H](C)CC(C)C ZINC000308743569 388448570 /nfs/dbraw/zinc/44/85/70/388448570.db2.gz OVNQCMJGHDCBTM-QWHCGFSZSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)CC(C)C ZINC000308743570 388448223 /nfs/dbraw/zinc/44/82/23/388448223.db2.gz OVNQCMJGHDCBTM-STQMWFEESA-N 0 3 210.365 3.150 20 30 BGEDHN C=C(Cl)CNCCc1cccc(Cl)c1 ZINC000308745424 631557658 /nfs/dbraw/zinc/55/76/58/631557658.db2.gz RAPSAYABXPUFHH-UHFFFAOYSA-N 0 3 230.138 3.225 20 30 BGEDHN N#Cc1ccccc1CN1CCC2(CCC2)CC1 ZINC000308745649 370158253 /nfs/dbraw/zinc/15/82/53/370158253.db2.gz ZQMKUUYCTNWEPB-UHFFFAOYSA-N 0 3 240.350 3.324 20 30 BGEDHN CC(C)(CNCc1ccc(C#N)o1)C1=CCCC1 ZINC000308759759 385079193 /nfs/dbraw/zinc/07/91/93/385079193.db2.gz VDNQCSXTBYCIFR-UHFFFAOYSA-N 0 3 244.338 3.377 20 30 BGEDHN C=CCCCN[C@H](C)c1nc(C)sc1C ZINC000308777695 491138052 /nfs/dbraw/zinc/13/80/52/491138052.db2.gz JVEPHFAYCSLFEC-SECBINFHSA-N 0 3 224.373 3.377 20 30 BGEDHN C=CCCCN[C@@H](C)c1nc(C)sc1C ZINC000308777696 491138108 /nfs/dbraw/zinc/13/81/08/491138108.db2.gz JVEPHFAYCSLFEC-VIFPVBQESA-N 0 3 224.373 3.377 20 30 BGEDHN C[C@H](CCC(C)(C)C)NCC(C)(C)C#N ZINC000308800658 259367611 /nfs/dbraw/zinc/36/76/11/259367611.db2.gz KSEWXVDKBOSLMJ-LLVKDONJSA-N 0 3 210.365 3.341 20 30 BGEDHN C[C@@H](CCC(C)(C)C)NCC(C)(C)C#N ZINC000308800660 533519617 /nfs/dbraw/zinc/51/96/17/533519617.db2.gz KSEWXVDKBOSLMJ-NSHDSACASA-N 0 3 210.365 3.341 20 30 BGEDHN CC(C)C(CNCC(C)(C)C#N)C(C)C ZINC000308811884 527586097 /nfs/dbraw/zinc/58/60/97/527586097.db2.gz RUXNQWRWFSRNQZ-UHFFFAOYSA-N 0 3 210.365 3.054 20 30 BGEDHN C=C(C)CNCc1cscc1C(F)(F)F ZINC000308816801 385183989 /nfs/dbraw/zinc/18/39/89/385183989.db2.gz AVOXXSSARQPJLD-UHFFFAOYSA-N 0 3 235.274 3.433 20 30 BGEDHN C=CCCCNCc1cc(C)ccc1F ZINC000308825337 385203311 /nfs/dbraw/zinc/20/33/11/385203311.db2.gz RDINXNISGYVESH-UHFFFAOYSA-N 0 3 207.292 3.190 20 30 BGEDHN C#CCN[C@@H](C)c1csc2ccccc12 ZINC000308825918 631871915 /nfs/dbraw/zinc/87/19/15/631871915.db2.gz AFKPHXAPWRAAQA-JTQLQIEISA-N 0 3 215.321 3.185 20 30 BGEDHN C#CCN[C@H](C)c1csc2ccccc12 ZINC000308825920 631871968 /nfs/dbraw/zinc/87/19/68/631871968.db2.gz AFKPHXAPWRAAQA-SNVBAGLBSA-N 0 3 215.321 3.185 20 30 BGEDHN C=CCOCCN[C@H](C)c1ccc(Cl)s1 ZINC000308832636 384334567 /nfs/dbraw/zinc/33/45/67/384334567.db2.gz UUXCIKKESLIMCO-SECBINFHSA-N 0 3 245.775 3.255 20 30 BGEDHN C=CCOCCN[C@@H](C)c1ccc(Cl)s1 ZINC000308832638 384334139 /nfs/dbraw/zinc/33/41/39/384334139.db2.gz UUXCIKKESLIMCO-VIFPVBQESA-N 0 3 245.775 3.255 20 30 BGEDHN C=C(C)CNCc1ccc2occc2c1 ZINC000308833108 384334590 /nfs/dbraw/zinc/33/45/90/384334590.db2.gz HAEHSESPIRRIMK-UHFFFAOYSA-N 0 3 201.269 3.099 20 30 BGEDHN C=CCCCNCc1csc(C2CC2)n1 ZINC000308834072 384335021 /nfs/dbraw/zinc/33/50/21/384335021.db2.gz HKYIRMJMQAOSRP-UHFFFAOYSA-N 0 3 222.357 3.076 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccon1 ZINC000308835471 385200240 /nfs/dbraw/zinc/20/02/40/385200240.db2.gz HXIJUMQKXBVWPA-GHMZBOCLSA-N 0 3 208.305 3.070 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1ccon1 ZINC000308835473 384339398 /nfs/dbraw/zinc/33/93/98/384339398.db2.gz HXIJUMQKXBVWPA-MNOVXSKESA-N 0 3 208.305 3.070 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1ccon1 ZINC000308835475 384337310 /nfs/dbraw/zinc/33/73/10/384337310.db2.gz HXIJUMQKXBVWPA-QWRGUYRKSA-N 0 3 208.305 3.070 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1ccon1 ZINC000308835477 385201569 /nfs/dbraw/zinc/20/15/69/385201569.db2.gz HXIJUMQKXBVWPA-WDEREUQCSA-N 0 3 208.305 3.070 20 30 BGEDHN C=CCOCCN[C@H](C)c1csc(Cl)c1 ZINC000308836878 491138728 /nfs/dbraw/zinc/13/87/28/491138728.db2.gz WVILYLGAGKJJCD-SECBINFHSA-N 0 3 245.775 3.255 20 30 BGEDHN C=CCOCCN[C@@H](C)c1csc(Cl)c1 ZINC000308836879 491138698 /nfs/dbraw/zinc/13/86/98/491138698.db2.gz WVILYLGAGKJJCD-VIFPVBQESA-N 0 3 245.775 3.255 20 30 BGEDHN C=CCCCCCCNCc1nccs1 ZINC000308843147 631689969 /nfs/dbraw/zinc/68/99/69/631689969.db2.gz YYRYECFOKLMWEL-UHFFFAOYSA-N 0 3 224.373 3.369 20 30 BGEDHN C=CCCCCNCc1ccncc1Cl ZINC000308852689 342874511 /nfs/dbraw/zinc/87/45/11/342874511.db2.gz RUQYBBXHJJROLI-UHFFFAOYSA-N 0 3 224.735 3.181 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000308866333 385233584 /nfs/dbraw/zinc/23/35/84/385233584.db2.gz FTGHGDIBGADACQ-DTWKUNHWSA-N 0 3 240.759 3.183 20 30 BGEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC000308867557 133451210 /nfs/dbraw/zinc/45/12/10/133451210.db2.gz GQZYEPNDNYWARY-BDAKNGLRSA-N 0 3 240.759 3.183 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000308867558 385225788 /nfs/dbraw/zinc/22/57/88/385225788.db2.gz GQZYEPNDNYWARY-DTWKUNHWSA-N 0 3 240.759 3.183 20 30 BGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC000308867559 133451165 /nfs/dbraw/zinc/45/11/65/133451165.db2.gz GQZYEPNDNYWARY-IUCAKERBSA-N 0 3 240.759 3.183 20 30 BGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Cl)s2)C1 ZINC000308867560 385225743 /nfs/dbraw/zinc/22/57/43/385225743.db2.gz GQZYEPNDNYWARY-RKDXNWHRSA-N 0 3 240.759 3.183 20 30 BGEDHN CC#CCNC(C)(C)c1ccc(Cl)cc1 ZINC000308878619 526382625 /nfs/dbraw/zinc/38/26/25/526382625.db2.gz SWGJADAJWODRSH-UHFFFAOYSA-N 0 3 221.731 3.188 20 30 BGEDHN C=C(Cl)CNCCSCc1ccccc1 ZINC000308883725 631716373 /nfs/dbraw/zinc/71/63/73/631716373.db2.gz RMGXFBWPOBTQBI-UHFFFAOYSA-N 0 3 241.787 3.262 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cs2)C1 ZINC000308891658 181069571 /nfs/dbraw/zinc/06/95/71/181069571.db2.gz XCQJMWGCRBBIBN-WCBMZHEXSA-N 0 3 240.759 3.183 20 30 BGEDHN C#C[C@@H](NCC1CC1)c1ccc(Cl)cc1 ZINC000308895143 631716523 /nfs/dbraw/zinc/71/65/23/631716523.db2.gz ZJOGDEDQILMLEF-CYBMUJFWSA-N 0 3 219.715 3.014 20 30 BGEDHN C#C[C@H](NCC1CC1)c1ccc(Cl)cc1 ZINC000308895144 632104121 /nfs/dbraw/zinc/10/41/21/632104121.db2.gz ZJOGDEDQILMLEF-ZDUSSCGKSA-N 0 3 219.715 3.014 20 30 BGEDHN CCCC[C@@H](C)[C@H](C)NCC1(C#N)CC1 ZINC000308903514 349060546 /nfs/dbraw/zinc/06/05/46/349060546.db2.gz BWMXCVTWDXDZAS-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)NCC1(C#N)CC1 ZINC000308903516 349061200 /nfs/dbraw/zinc/06/12/00/349061200.db2.gz BWMXCVTWDXDZAS-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC[C@H](C)[C@H](C)NCC1(C#N)CC1 ZINC000308903518 349061302 /nfs/dbraw/zinc/06/13/02/349061302.db2.gz BWMXCVTWDXDZAS-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC[C@@H](C)[C@@H](C)NCC1(C#N)CC1 ZINC000308903520 349061128 /nfs/dbraw/zinc/06/11/28/349061128.db2.gz BWMXCVTWDXDZAS-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CCCC[C@@H](C)[C@H](C)NCC(C)(C)C#N ZINC000308923591 528764813 /nfs/dbraw/zinc/76/48/13/528764813.db2.gz HQENOAIGIYSHRC-NEPJUHHUSA-N 0 3 210.365 3.341 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)NCC(C)(C)C#N ZINC000308923592 528895036 /nfs/dbraw/zinc/89/50/36/528895036.db2.gz HQENOAIGIYSHRC-NWDGAFQWSA-N 0 3 210.365 3.341 20 30 BGEDHN CCCC[C@H](C)[C@H](C)NCC(C)(C)C#N ZINC000308923593 528896543 /nfs/dbraw/zinc/89/65/43/528896543.db2.gz HQENOAIGIYSHRC-RYUDHWBXSA-N 0 3 210.365 3.341 20 30 BGEDHN CCCC[C@@H](C)[C@@H](C)NCC(C)(C)C#N ZINC000308923594 528763930 /nfs/dbraw/zinc/76/39/30/528763930.db2.gz HQENOAIGIYSHRC-VXGBXAGGSA-N 0 3 210.365 3.341 20 30 BGEDHN C[C@H](CC#N)NCC1CCC(C)(C)CC1 ZINC000308928392 346940486 /nfs/dbraw/zinc/94/04/86/346940486.db2.gz QQNZDZYISGDHOW-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CC#N)NCC1CCC(C)(C)CC1 ZINC000308928394 346941095 /nfs/dbraw/zinc/94/10/95/346941095.db2.gz QQNZDZYISGDHOW-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN C=C(Cl)CNCCc1ccc(F)cc1Cl ZINC000308951441 632577155 /nfs/dbraw/zinc/57/71/55/632577155.db2.gz VEWWGMHTPXWZDR-UHFFFAOYSA-N 0 3 248.128 3.364 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000308976975 349261682 /nfs/dbraw/zinc/26/16/82/349261682.db2.gz GVWKVAVYURYBNK-HOSYDEDBSA-N 0 3 220.341 3.091 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000308976977 229286599 /nfs/dbraw/zinc/28/65/99/229286599.db2.gz GVWKVAVYURYBNK-JBLDHEPKSA-N 0 3 220.341 3.091 20 30 BGEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000308976978 349261957 /nfs/dbraw/zinc/26/19/57/349261957.db2.gz GVWKVAVYURYBNK-NHCYSSNCSA-N 0 3 220.341 3.091 20 30 BGEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000308976979 349261949 /nfs/dbraw/zinc/26/19/49/349261949.db2.gz GVWKVAVYURYBNK-UMNHJUIQSA-N 0 3 220.341 3.091 20 30 BGEDHN CC(C)CC[C@H]1CCC[C@H]1NCCC#N ZINC000308977979 385329848 /nfs/dbraw/zinc/32/98/48/385329848.db2.gz HGBAUWALEZMVCC-CHWSQXEVSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CC[C@H]1CCC[C@@H]1NCCC#N ZINC000308977981 385330644 /nfs/dbraw/zinc/33/06/44/385330644.db2.gz HGBAUWALEZMVCC-OLZOCXBDSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@H]1NCCC#N ZINC000308977982 385330233 /nfs/dbraw/zinc/33/02/33/385330233.db2.gz HGBAUWALEZMVCC-QWHCGFSZSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCCC#N ZINC000308977983 385330451 /nfs/dbraw/zinc/33/04/51/385330451.db2.gz HGBAUWALEZMVCC-STQMWFEESA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CNCCC#N)CC1CCCCC1 ZINC000308993274 632611922 /nfs/dbraw/zinc/61/19/22/632611922.db2.gz LSEXFFAURAWASV-GFCCVEGCSA-N 0 3 208.349 3.096 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000308997119 526626952 /nfs/dbraw/zinc/62/69/52/526626952.db2.gz MVRPDAJTCGNKPS-LLVKDONJSA-N 0 3 207.292 3.361 20 30 BGEDHN C=C(C)CNC1(c2ccc(Cl)cc2)CC1 ZINC000309014074 259368872 /nfs/dbraw/zinc/36/88/72/259368872.db2.gz SXJPBASOGWBOQK-UHFFFAOYSA-N 0 3 221.731 3.495 20 30 BGEDHN C=C(C)CNC/C=C\c1ccc(F)cc1 ZINC000309020780 133453044 /nfs/dbraw/zinc/45/30/44/133453044.db2.gz WVFAAJDJLSXXQG-ARJAWSKDSA-N 0 3 205.276 3.005 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000309021685 631802765 /nfs/dbraw/zinc/80/27/65/631802765.db2.gz XNVCVFAIGSWFLV-LLVKDONJSA-N 0 3 205.301 3.009 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309021686 631802349 /nfs/dbraw/zinc/80/23/49/631802349.db2.gz XNVCVFAIGSWFLV-NSHDSACASA-N 0 3 205.301 3.009 20 30 BGEDHN CCN(C[C@H](C)C#N)CC1(C)CCCC1 ZINC000309028706 631809861 /nfs/dbraw/zinc/80/98/61/631809861.db2.gz ZXNKFJMUKVNNLW-GFCCVEGCSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(C[C@@H](C)C#N)CC1(C)CCCC1 ZINC000309028707 631808827 /nfs/dbraw/zinc/80/88/27/631808827.db2.gz ZXNKFJMUKVNNLW-LBPRGKRZSA-N 0 3 208.349 3.048 20 30 BGEDHN C=C(C)CNCc1c(F)cccc1CC ZINC000309033303 526624620 /nfs/dbraw/zinc/62/46/20/526624620.db2.gz GLJXIKAWCGMPCZ-UHFFFAOYSA-N 0 3 207.292 3.054 20 30 BGEDHN C=C(C)CNCc1cccc(CCC)c1 ZINC000309033697 526624669 /nfs/dbraw/zinc/62/46/69/526624669.db2.gz GTEAQQPBUXUASV-UHFFFAOYSA-N 0 3 203.329 3.305 20 30 BGEDHN C=CCCCCNCc1ncc(CC)s1 ZINC000309036154 534693286 /nfs/dbraw/zinc/69/32/86/534693286.db2.gz IFYPCJVZIVQHIG-UHFFFAOYSA-N 0 3 224.373 3.151 20 30 BGEDHN C=CCCCCNCc1ccccc1F ZINC000309038037 527168422 /nfs/dbraw/zinc/16/84/22/527168422.db2.gz HQODAIQKFHWXMM-UHFFFAOYSA-N 0 3 207.292 3.272 20 30 BGEDHN C=C(C)CNCc1ccc(CCC)cc1 ZINC000309042723 491052022 /nfs/dbraw/zinc/05/20/22/491052022.db2.gz MEDRTSJSIWJBSL-UHFFFAOYSA-N 0 3 203.329 3.305 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(Cl)c(C)c1 ZINC000309042923 632623812 /nfs/dbraw/zinc/62/38/12/632623812.db2.gz MIWIWOAYEIEZBO-GFCCVEGCSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(Cl)c(C)c1 ZINC000309042924 632623146 /nfs/dbraw/zinc/62/31/46/632623146.db2.gz MIWIWOAYEIEZBO-LBPRGKRZSA-N 0 3 221.731 3.150 20 30 BGEDHN C=CCCCCNCc1ccc(CC)o1 ZINC000309044158 385389586 /nfs/dbraw/zinc/38/95/86/385389586.db2.gz LXTXOPNAAQAPHA-UHFFFAOYSA-N 0 3 207.317 3.288 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(SCC)c1 ZINC000309047932 534508947 /nfs/dbraw/zinc/50/89/47/534508947.db2.gz PLVSTBVDPJTWLH-LLVKDONJSA-N 0 3 221.369 3.463 20 30 BGEDHN C=C[C@H](C)NCc1cccc(SCC)c1 ZINC000309047933 385381966 /nfs/dbraw/zinc/38/19/66/385381966.db2.gz PLVSTBVDPJTWLH-NSHDSACASA-N 0 3 221.369 3.463 20 30 BGEDHN C=C(C)CNCc1cccc(SCC)c1 ZINC000309048498 385382972 /nfs/dbraw/zinc/38/29/72/385382972.db2.gz PPFBZGZOTXFGAC-UHFFFAOYSA-N 0 3 221.369 3.464 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cccc(O)c1 ZINC000309049487 385384297 /nfs/dbraw/zinc/38/42/97/385384297.db2.gz QBTFZHVOODCCFT-LLVKDONJSA-N 0 3 205.301 3.009 20 30 BGEDHN C=CCCCN[C@H](C)c1ccc(CC)o1 ZINC000309054564 527235868 /nfs/dbraw/zinc/23/58/68/527235868.db2.gz SWVATOVLCFHGBB-LLVKDONJSA-N 0 3 207.317 3.459 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccc(CC)o1 ZINC000309054565 527233804 /nfs/dbraw/zinc/23/38/04/527233804.db2.gz SWVATOVLCFHGBB-NSHDSACASA-N 0 3 207.317 3.459 20 30 BGEDHN Cc1ccsc1CN(C)CCC(C)(C)C#N ZINC000309058905 385396367 /nfs/dbraw/zinc/39/63/67/385396367.db2.gz LIOBXEOBMPTSSE-UHFFFAOYSA-N 0 3 236.384 3.428 20 30 BGEDHN CC(C)CCC[C@@H](C)NCC1(C#N)CC1 ZINC000309070971 349826630 /nfs/dbraw/zinc/82/66/30/349826630.db2.gz CXXLTEVPYNGZLP-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CCC[C@H](C)NCC1(C#N)CC1 ZINC000309070972 349826446 /nfs/dbraw/zinc/82/64/46/349826446.db2.gz CXXLTEVPYNGZLP-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CCC[C@@H](C)NCC(C)(C)C#N ZINC000309075649 386187878 /nfs/dbraw/zinc/18/78/78/386187878.db2.gz KBVCAAYBFQZJLK-GFCCVEGCSA-N 0 3 210.365 3.341 20 30 BGEDHN CC(C)CCC[C@H](C)NCC(C)(C)C#N ZINC000309075650 527706311 /nfs/dbraw/zinc/70/63/11/527706311.db2.gz KBVCAAYBFQZJLK-LBPRGKRZSA-N 0 3 210.365 3.341 20 30 BGEDHN C=C(C)CNCc1ccc(OC)cc1Cl ZINC000309078901 134598283 /nfs/dbraw/zinc/59/82/83/134598283.db2.gz NMIIAPKOMIKYTH-UHFFFAOYSA-N 0 3 225.719 3.014 20 30 BGEDHN C=C(C)CNC(C)(C)c1ccccc1F ZINC000309084331 526625301 /nfs/dbraw/zinc/62/53/01/526625301.db2.gz VFRLUGXGBFEKDF-UHFFFAOYSA-N 0 3 207.292 3.227 20 30 BGEDHN C=C(CC)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000309099357 631881628 /nfs/dbraw/zinc/88/16/28/631881628.db2.gz FAHNCPGOOQKSRL-LLVKDONJSA-N 0 3 205.301 3.009 20 30 BGEDHN C=C(CC)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309099358 631882194 /nfs/dbraw/zinc/88/21/94/631882194.db2.gz FAHNCPGOOQKSRL-NSHDSACASA-N 0 3 205.301 3.009 20 30 BGEDHN CCCC[C@H](C)[C@H](C)N[C@@H](CC)CC#N ZINC000309099736 385409586 /nfs/dbraw/zinc/40/95/86/385409586.db2.gz GFLNQOCBRUNPAI-AVGNSLFASA-N 0 3 210.365 3.483 20 30 BGEDHN CCCC[C@H](C)[C@H](C)N[C@H](CC)CC#N ZINC000309099737 385409232 /nfs/dbraw/zinc/40/92/32/385409232.db2.gz GFLNQOCBRUNPAI-RWMBFGLXSA-N 0 3 210.365 3.483 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)N[C@@H](CC)CC#N ZINC000309099738 385408979 /nfs/dbraw/zinc/40/89/79/385408979.db2.gz GFLNQOCBRUNPAI-XQQFMLRXSA-N 0 3 210.365 3.483 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)N[C@H](CC)CC#N ZINC000309099739 385408415 /nfs/dbraw/zinc/40/84/15/385408415.db2.gz GFLNQOCBRUNPAI-YNEHKIRRSA-N 0 3 210.365 3.483 20 30 BGEDHN CCC#C[C@@H](C)NC(C)(C)c1cccs1 ZINC000309108969 491145152 /nfs/dbraw/zinc/14/51/52/491145152.db2.gz IZHQOWZEXRXUOY-LLVKDONJSA-N 0 3 221.369 3.375 20 30 BGEDHN CCC#C[C@H](C)NC(C)(C)c1cccs1 ZINC000309108971 491052446 /nfs/dbraw/zinc/05/24/46/491052446.db2.gz IZHQOWZEXRXUOY-NSHDSACASA-N 0 3 221.369 3.375 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccccc1 ZINC000309109154 491145096 /nfs/dbraw/zinc/14/50/96/491145096.db2.gz JAVANFUVJXWXGF-CHWSQXEVSA-N 0 3 201.313 3.139 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000309109155 491145126 /nfs/dbraw/zinc/14/51/26/491145126.db2.gz JAVANFUVJXWXGF-OLZOCXBDSA-N 0 3 201.313 3.139 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1ccccc1 ZINC000309109156 491145150 /nfs/dbraw/zinc/14/51/50/491145150.db2.gz JAVANFUVJXWXGF-QWHCGFSZSA-N 0 3 201.313 3.139 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccccc1 ZINC000309109157 491145139 /nfs/dbraw/zinc/14/51/39/491145139.db2.gz JAVANFUVJXWXGF-STQMWFEESA-N 0 3 201.313 3.139 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cnccc1C ZINC000309109284 343248621 /nfs/dbraw/zinc/24/86/21/343248621.db2.gz JDRJGDFSKWAMNO-GFCCVEGCSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cnccc1C ZINC000309109286 534418487 /nfs/dbraw/zinc/41/84/87/534418487.db2.gz JDRJGDFSKWAMNO-LBPRGKRZSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(CC)CNC1(c2ccccc2)CC1 ZINC000309123735 526858061 /nfs/dbraw/zinc/85/80/61/526858061.db2.gz OTHDSJAVQSUWQM-UHFFFAOYSA-N 0 3 201.313 3.232 20 30 BGEDHN N#CC1CCN([C@H]2C=CCCCCC2)CC1 ZINC000309138365 342894047 /nfs/dbraw/zinc/89/40/47/342894047.db2.gz TUOQCBOEWMILPZ-AWEZNQCLSA-N 0 3 218.344 3.111 20 30 BGEDHN N#CC1CCN([C@@H]2C=CCCCCC2)CC1 ZINC000309138367 342894072 /nfs/dbraw/zinc/89/40/72/342894072.db2.gz TUOQCBOEWMILPZ-CQSZACIVSA-N 0 3 218.344 3.111 20 30 BGEDHN C#C[C@H](C)NCc1cc2ccccc2s1 ZINC000309156513 632650316 /nfs/dbraw/zinc/65/03/16/632650316.db2.gz XNZCGCWIYXTOAR-JTQLQIEISA-N 0 3 215.321 3.013 20 30 BGEDHN C#C[C@@H](C)NCc1cc2ccccc2s1 ZINC000309156514 631915068 /nfs/dbraw/zinc/91/50/68/631915068.db2.gz XNZCGCWIYXTOAR-SNVBAGLBSA-N 0 3 215.321 3.013 20 30 BGEDHN C=C[C@@H](C)NCc1cscc1C(F)(F)F ZINC000309162537 534508120 /nfs/dbraw/zinc/50/81/20/534508120.db2.gz ZPWXRUCRVTWWLO-SSDOTTSWSA-N 0 3 235.274 3.431 20 30 BGEDHN C=C[C@H](C)NCc1cscc1C(F)(F)F ZINC000309162538 534665471 /nfs/dbraw/zinc/66/54/71/534665471.db2.gz ZPWXRUCRVTWWLO-ZETCQYMHSA-N 0 3 235.274 3.431 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1C(C)C ZINC000309170007 385167124 /nfs/dbraw/zinc/16/71/24/385167124.db2.gz KZHJYYFEIRAPBJ-AGIUHOORSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1C(C)C ZINC000309170008 385167184 /nfs/dbraw/zinc/16/71/84/385167184.db2.gz KZHJYYFEIRAPBJ-FRRDWIJNSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1C(C)C ZINC000309170009 385168018 /nfs/dbraw/zinc/16/80/18/385168018.db2.gz KZHJYYFEIRAPBJ-JHJVBQTASA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1C(C)C ZINC000309170010 385167451 /nfs/dbraw/zinc/16/74/51/385167451.db2.gz KZHJYYFEIRAPBJ-UPJWGTAASA-N 0 3 208.349 3.093 20 30 BGEDHN C=CCCCCNCc1ccc(F)cc1F ZINC000309193109 323326957 /nfs/dbraw/zinc/32/69/57/323326957.db2.gz JCWQFANNJKCMEI-UHFFFAOYSA-N 0 3 225.282 3.411 20 30 BGEDHN C=CCC[C@@H](CCC)NCC(C)(C)C#N ZINC000309226482 385268787 /nfs/dbraw/zinc/26/87/87/385268787.db2.gz WCDJPHLLNJZCPR-GFCCVEGCSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCC[C@H](CCC)NCC(C)(C)C#N ZINC000309226483 385270853 /nfs/dbraw/zinc/27/08/53/385270853.db2.gz WCDJPHLLNJZCPR-LBPRGKRZSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCC[C@@H](CCC)NCC1(C#N)CC1 ZINC000309232848 259342159 /nfs/dbraw/zinc/34/21/59/259342159.db2.gz XAQHKPWYMSQAIX-GFCCVEGCSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCC[C@H](CCC)NCC1(C#N)CC1 ZINC000309232850 259342242 /nfs/dbraw/zinc/34/22/42/259342242.db2.gz XAQHKPWYMSQAIX-LBPRGKRZSA-N 0 3 206.333 3.015 20 30 BGEDHN CC[C@H](CC#N)NCC(CC)(CC)CC ZINC000309242502 536056054 /nfs/dbraw/zinc/05/60/54/536056054.db2.gz YMPYFAJWXCGUMQ-GFCCVEGCSA-N 0 3 210.365 3.485 20 30 BGEDHN CC[C@@H](CC#N)NCC(CC)(CC)CC ZINC000309242505 134386354 /nfs/dbraw/zinc/38/63/54/134386354.db2.gz YMPYFAJWXCGUMQ-LBPRGKRZSA-N 0 3 210.365 3.485 20 30 BGEDHN Cc1cc(CNCCCC#N)ccc1Cl ZINC000309249054 136274901 /nfs/dbraw/zinc/27/49/01/136274901.db2.gz ZUGITZYGPRGQLS-UHFFFAOYSA-N 0 3 222.719 3.042 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000309303390 259312335 /nfs/dbraw/zinc/31/23/35/259312335.db2.gz ADLSNGFSMMEJIE-CHWSQXEVSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCC[C@@H]1C1CC1 ZINC000309303391 259312100 /nfs/dbraw/zinc/31/21/00/259312100.db2.gz ADLSNGFSMMEJIE-OLZOCXBDSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCC[C@H]1C1CC1 ZINC000309303392 259312192 /nfs/dbraw/zinc/31/21/92/259312192.db2.gz ADLSNGFSMMEJIE-QWHCGFSZSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCC[C@H]1C1CC1 ZINC000309303394 259312169 /nfs/dbraw/zinc/31/21/69/259312169.db2.gz ADLSNGFSMMEJIE-STQMWFEESA-N 0 3 220.360 3.095 20 30 BGEDHN C=CCCCCNCc1cccc(F)c1F ZINC000309310503 323342166 /nfs/dbraw/zinc/34/21/66/323342166.db2.gz NZWYYTUZYZFJKT-UHFFFAOYSA-N 0 3 225.282 3.411 20 30 BGEDHN CC(C)C1CC(NCc2ccc(C#N)s2)C1 ZINC000309313857 386126309 /nfs/dbraw/zinc/12/63/09/386126309.db2.gz CLIHYHVKVDTPTL-UHFFFAOYSA-N 0 3 234.368 3.144 20 30 BGEDHN C=C(C)CNC/C=C\c1ccc(F)c(F)c1 ZINC000309321348 383880528 /nfs/dbraw/zinc/88/05/28/383880528.db2.gz FGMUUBGJHXLCKB-ARJAWSKDSA-N 0 3 223.266 3.144 20 30 BGEDHN C=C(C)CNC/C=C/c1ccc(F)c(F)c1 ZINC000309321349 383881599 /nfs/dbraw/zinc/88/15/99/383881599.db2.gz FGMUUBGJHXLCKB-ONEGZZNKSA-N 0 3 223.266 3.144 20 30 BGEDHN C#C[C@@H](NCc1cnc(C(C)C)s1)C(C)C ZINC000309328917 383880387 /nfs/dbraw/zinc/88/03/87/383880387.db2.gz HGFXZNLYTSNVNW-GFCCVEGCSA-N 0 3 236.384 3.014 20 30 BGEDHN C#C[C@H](NCc1cnc(C(C)C)s1)C(C)C ZINC000309328918 383882127 /nfs/dbraw/zinc/88/21/27/383882127.db2.gz 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Cc1ccsc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000309378855 383926175 /nfs/dbraw/zinc/92/61/75/383926175.db2.gz DAAGVZYYMPYOKG-SDDRHHMPSA-N 0 3 234.368 3.399 20 30 BGEDHN C=CCCCCCCCNCc1cc[nH]n1 ZINC000309379988 632025331 /nfs/dbraw/zinc/02/53/31/632025331.db2.gz RWBUPIUKYUIHTF-UHFFFAOYSA-N 0 3 221.348 3.026 20 30 BGEDHN CC(C)(C#N)CNCCCC1CCCCC1 ZINC000309382597 259375033 /nfs/dbraw/zinc/37/50/33/259375033.db2.gz SFDYOGDCJSHWIL-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN CC(C)[C@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000309384847 383921285 /nfs/dbraw/zinc/92/12/85/383921285.db2.gz SOONMLJNZAXVDR-CHWSQXEVSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000309384849 383921893 /nfs/dbraw/zinc/92/18/93/383921893.db2.gz SOONMLJNZAXVDR-OLZOCXBDSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000309384850 383922070 /nfs/dbraw/zinc/92/20/70/383922070.db2.gz SOONMLJNZAXVDR-QWHCGFSZSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000309384852 383919560 /nfs/dbraw/zinc/91/95/60/383919560.db2.gz SOONMLJNZAXVDR-STQMWFEESA-N 0 3 220.360 3.095 20 30 BGEDHN C=CCN[C@H](c1ccccn1)C1CCCC1 ZINC000309389667 347046220 /nfs/dbraw/zinc/04/62/20/347046220.db2.gz UCPBDAFDBMDKQO-AWEZNQCLSA-N 0 3 216.328 3.089 20 30 BGEDHN C=CCN[C@@H](c1ccccn1)C1CCCC1 ZINC000309389675 347046107 /nfs/dbraw/zinc/04/61/07/347046107.db2.gz UCPBDAFDBMDKQO-CQSZACIVSA-N 0 3 216.328 3.089 20 30 BGEDHN C=CCCCCN[C@H](C)c1ccncc1F ZINC000309390863 534694183 /nfs/dbraw/zinc/69/41/83/534694183.db2.gz FVEPFMVHUQKQDA-LLVKDONJSA-N 0 3 222.307 3.228 20 30 BGEDHN C=CCCCCN[C@@H](C)c1ccncc1F ZINC000309390866 534694238 /nfs/dbraw/zinc/69/42/38/534694238.db2.gz FVEPFMVHUQKQDA-NSHDSACASA-N 0 3 222.307 3.228 20 30 BGEDHN CC(C)(C#N)CNC[C@@H]1CCCC(C)(C)C1 ZINC000309392359 350366788 /nfs/dbraw/zinc/36/67/88/350366788.db2.gz UPASZOOQZLTMRQ-GFCCVEGCSA-N 0 3 222.376 3.342 20 30 BGEDHN CC(C)(C#N)CNC[C@H]1CCCC(C)(C)C1 ZINC000309392361 350366925 /nfs/dbraw/zinc/36/69/25/350366925.db2.gz UPASZOOQZLTMRQ-LBPRGKRZSA-N 0 3 222.376 3.342 20 30 BGEDHN C=C(C)CNC/C=C\c1ccc(F)cc1F ZINC000309408370 385572832 /nfs/dbraw/zinc/57/28/32/385572832.db2.gz XOVGMXMNSLCNAN-ARJAWSKDSA-N 0 3 223.266 3.144 20 30 BGEDHN C=C(C)CNC/C=C/c1ccc(F)cc1F ZINC000309408371 385572280 /nfs/dbraw/zinc/57/22/80/385572280.db2.gz XOVGMXMNSLCNAN-ONEGZZNKSA-N 0 3 223.266 3.144 20 30 BGEDHN CC#CCCNCc1ccc(C(F)(F)F)s1 ZINC000309417571 383983037 /nfs/dbraw/zinc/98/30/37/383983037.db2.gz ZBCNNWIVERCMDD-UHFFFAOYSA-N 0 3 247.285 3.270 20 30 BGEDHN C=C[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000309422580 385577422 /nfs/dbraw/zinc/57/74/22/385577422.db2.gz DWFNVVDJHOHKNT-GWCFXTLKSA-N 0 3 239.746 3.192 20 30 BGEDHN C=C[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000309422581 384282817 /nfs/dbraw/zinc/28/28/17/384282817.db2.gz DWFNVVDJHOHKNT-GXFFZTMASA-N 0 3 239.746 3.192 20 30 BGEDHN C=C[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000309422582 385577471 /nfs/dbraw/zinc/57/74/71/385577471.db2.gz DWFNVVDJHOHKNT-MFKMUULPSA-N 0 3 239.746 3.192 20 30 BGEDHN C=C[C@@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000309422583 384282939 /nfs/dbraw/zinc/28/29/39/384282939.db2.gz DWFNVVDJHOHKNT-ZWNOBZJWSA-N 0 3 239.746 3.192 20 30 BGEDHN CC(C)N(CCC#N)C[C@H]1CCC[C@H](C)C1 ZINC000309427114 387667970 /nfs/dbraw/zinc/66/79/70/387667970.db2.gz IVEAQQQSBQEEEY-KBPBESRZSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000309427115 387668662 /nfs/dbraw/zinc/66/86/62/387668662.db2.gz IVEAQQQSBQEEEY-KGLIPLIRSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CCC[C@H](C)C1 ZINC000309427116 387668730 /nfs/dbraw/zinc/66/87/30/387668730.db2.gz IVEAQQQSBQEEEY-UONOGXRCSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000309427117 387669294 /nfs/dbraw/zinc/66/92/94/387669294.db2.gz IVEAQQQSBQEEEY-ZIAGYGMSSA-N 0 3 222.376 3.437 20 30 BGEDHN C=CCCCCCCNCc1cc(C)no1 ZINC000309443173 633079230 /nfs/dbraw/zinc/07/92/30/633079230.db2.gz ONJDDUBLXFEUKG-UHFFFAOYSA-N 0 3 222.332 3.209 20 30 BGEDHN C=C(C)CNCc1cccc(Cl)c1OCC ZINC000309446601 256525196 /nfs/dbraw/zinc/52/51/96/256525196.db2.gz JYANMXIMDYYUNY-UHFFFAOYSA-N 0 3 239.746 3.404 20 30 BGEDHN CC(C)(C#N)CNCC1CCC(C)(C)CC1 ZINC000309457953 136218516 /nfs/dbraw/zinc/21/85/16/136218516.db2.gz QAJNMRFAOQXDQF-UHFFFAOYSA-N 0 3 222.376 3.342 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccc(F)cc1F ZINC000309478005 387803707 /nfs/dbraw/zinc/80/37/07/387803707.db2.gz SENCYVBRYYYFAB-GFCCVEGCSA-N 0 3 225.282 3.409 20 30 BGEDHN C=CC[C@H](CC)NCc1ccc(F)cc1F ZINC000309478007 387803636 /nfs/dbraw/zinc/80/36/36/387803636.db2.gz SENCYVBRYYYFAB-LBPRGKRZSA-N 0 3 225.282 3.409 20 30 BGEDHN C#CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000309485425 632418185 /nfs/dbraw/zinc/41/81/85/632418185.db2.gz GFHKRTKHLSGSSX-CQSZACIVSA-N 0 3 233.742 3.404 20 30 BGEDHN CCN(CCC#N)CC1CCC(C)(C)CC1 ZINC000309487525 385607869 /nfs/dbraw/zinc/60/78/69/385607869.db2.gz YPFSZIKMJKXZML-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCCCCN[C@H](C)c1cc(C)ccn1 ZINC000309493774 384097092 /nfs/dbraw/zinc/09/70/92/384097092.db2.gz STTZGQUNKMBEMT-CYBMUJFWSA-N 0 3 218.344 3.397 20 30 BGEDHN C=CCCCCN[C@@H](C)c1cc(C)ccn1 ZINC000309493776 384097302 /nfs/dbraw/zinc/09/73/02/384097302.db2.gz STTZGQUNKMBEMT-ZDUSSCGKSA-N 0 3 218.344 3.397 20 30 BGEDHN C=CCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000309495097 491150216 /nfs/dbraw/zinc/15/02/16/491150216.db2.gz TVKQQZGCYYLQIK-MRVPVSSYSA-N 0 3 229.245 3.331 20 30 BGEDHN C=CCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000309495099 491150250 /nfs/dbraw/zinc/15/02/50/491150250.db2.gz TVKQQZGCYYLQIK-QMMMGPOBSA-N 0 3 229.245 3.331 20 30 BGEDHN C=CC[C@@H](CC)NCc1cccc(F)c1F ZINC000309501450 323418926 /nfs/dbraw/zinc/41/89/26/323418926.db2.gz ZVARXWSCDKFBEL-LLVKDONJSA-N 0 3 225.282 3.409 20 30 BGEDHN C=CC[C@H](CC)NCc1cccc(F)c1F ZINC000309501453 387810291 /nfs/dbraw/zinc/81/02/91/387810291.db2.gz ZVARXWSCDKFBEL-NSHDSACASA-N 0 3 225.282 3.409 20 30 BGEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cl)cc2)C1 ZINC000309508265 385644947 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216.328 3.258 20 30 BGEDHN Cc1ccc(C)c([C@H](C)NCCCC#N)c1 ZINC000309517868 385651620 /nfs/dbraw/zinc/65/16/20/385651620.db2.gz ZEKCKPZHSAKYRO-ZDUSSCGKSA-N 0 3 216.328 3.258 20 30 BGEDHN N#CCCCNCc1cscc1C(F)(F)F ZINC000309523415 385654851 /nfs/dbraw/zinc/65/48/51/385654851.db2.gz AHDLMIYVYUQOIQ-UHFFFAOYSA-N 0 3 248.273 3.160 20 30 BGEDHN C=C(C)CCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000309529608 347094223 /nfs/dbraw/zinc/09/42/23/347094223.db2.gz DATMIDPKOKTDLR-GFCCVEGCSA-N 0 3 236.384 3.458 20 30 BGEDHN C=C(C)CCN[C@H](c1nc(C)cs1)C1CC1 ZINC000309529609 347094168 /nfs/dbraw/zinc/09/41/68/347094168.db2.gz DATMIDPKOKTDLR-LBPRGKRZSA-N 0 3 236.384 3.458 20 30 BGEDHN C#Cc1ccc(CNCc2cccs2)cc1 ZINC000309553313 632480096 /nfs/dbraw/zinc/48/00/96/632480096.db2.gz LEQCUWAXWPWYOG-UHFFFAOYSA-N 0 3 227.332 3.019 20 30 BGEDHN N#CC1(CNCCCC2CCCCC2)CC1 ZINC000309554715 370227473 /nfs/dbraw/zinc/22/74/73/370227473.db2.gz HEGNCWJBGDFIRS-UHFFFAOYSA-N 0 3 220.360 3.240 20 30 BGEDHN C=CCCCN[C@H](CC)c1c(C)noc1C ZINC000309570340 385700194 /nfs/dbraw/zinc/70/01/94/385700194.db2.gz NLAHJLCVHGMUKE-GFCCVEGCSA-N 0 3 222.332 3.298 20 30 BGEDHN C=CCCCN[C@@H](CC)c1c(C)noc1C ZINC000309570343 385701519 /nfs/dbraw/zinc/70/15/19/385701519.db2.gz NLAHJLCVHGMUKE-LBPRGKRZSA-N 0 3 222.332 3.298 20 30 BGEDHN N#CCCCNCc1ccc(C(F)F)cc1 ZINC000309571614 387831901 /nfs/dbraw/zinc/83/19/01/387831901.db2.gz NBVUTUVMRPLGMF-UHFFFAOYSA-N 0 3 224.254 3.018 20 30 BGEDHN N#Cc1csc(CN[C@@H]2CC23CCCC3)c1 ZINC000309583319 181167102 /nfs/dbraw/zinc/16/71/02/181167102.db2.gz REDDRTLLUABDOU-GFCCVEGCSA-N 0 3 232.352 3.042 20 30 BGEDHN N#Cc1csc(CN[C@H]2CC23CCCC3)c1 ZINC000309583321 181166617 /nfs/dbraw/zinc/16/66/17/181166617.db2.gz REDDRTLLUABDOU-LBPRGKRZSA-N 0 3 232.352 3.042 20 30 BGEDHN C=CCCCCC[C@@H](C)NCC1(C#N)CC1 ZINC000309595894 633964190 /nfs/dbraw/zinc/96/41/90/633964190.db2.gz WEHIBFGURDJCDZ-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCCCCC[C@H](C)NCC1(C#N)CC1 ZINC000309595895 633963479 /nfs/dbraw/zinc/96/34/79/633963479.db2.gz WEHIBFGURDJCDZ-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN C=C(C)CCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000309597228 347114080 /nfs/dbraw/zinc/11/40/80/347114080.db2.gz ITOTXIFYXLKZIQ-GFCCVEGCSA-N 0 3 236.384 3.458 20 30 BGEDHN C=C(C)CCN[C@H](c1ncc(C)s1)C1CC1 ZINC000309597229 347114643 /nfs/dbraw/zinc/11/46/43/347114643.db2.gz ITOTXIFYXLKZIQ-LBPRGKRZSA-N 0 3 236.384 3.458 20 30 BGEDHN Cc1ccsc1[C@@H](C)NCC1(CC#N)CC1 ZINC000309597404 385724441 /nfs/dbraw/zinc/72/44/41/385724441.db2.gz WPKMXQOGHDJAAL-LLVKDONJSA-N 0 3 234.368 3.401 20 30 BGEDHN Cc1ccsc1[C@H](C)NCC1(CC#N)CC1 ZINC000309597407 385725601 /nfs/dbraw/zinc/72/56/01/385725601.db2.gz WPKMXQOGHDJAAL-NSHDSACASA-N 0 3 234.368 3.401 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000309602048 397866189 /nfs/dbraw/zinc/86/61/89/397866189.db2.gz XVEKAWVAPBYFBI-GHMZBOCLSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000309602049 384614874 /nfs/dbraw/zinc/61/48/74/384614874.db2.gz XVEKAWVAPBYFBI-MNOVXSKESA-N 0 3 222.307 3.226 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000309602050 134470484 /nfs/dbraw/zinc/47/04/84/134470484.db2.gz XVEKAWVAPBYFBI-QWRGUYRKSA-N 0 3 222.307 3.226 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1ccncc1F ZINC000309602051 384613987 /nfs/dbraw/zinc/61/39/87/384613987.db2.gz XVEKAWVAPBYFBI-WDEREUQCSA-N 0 3 222.307 3.226 20 30 BGEDHN C=C[C@@H](C)NCc1cnc(-c2ccco2)s1 ZINC000309602790 347120387 /nfs/dbraw/zinc/12/03/87/347120387.db2.gz KMXNCCCFRRBYCS-SECBINFHSA-N 0 3 234.324 3.067 20 30 BGEDHN C=C[C@H](C)NCc1cnc(-c2ccco2)s1 ZINC000309602791 347119994 /nfs/dbraw/zinc/11/99/94/347119994.db2.gz KMXNCCCFRRBYCS-VIFPVBQESA-N 0 3 234.324 3.067 20 30 BGEDHN N#CCCCNCc1ccc(C(F)(F)F)s1 ZINC000309610520 385742348 /nfs/dbraw/zinc/74/23/48/385742348.db2.gz ZHKHOIHZRXXCTL-UHFFFAOYSA-N 0 3 248.273 3.160 20 30 BGEDHN C=C(CC)CNC1(c2ccc(F)cc2)CC1 ZINC000309617995 384168028 /nfs/dbraw/zinc/16/80/28/384168028.db2.gz OIXVYZBFZKLJLX-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN C=CC[C@@H](C)NCc1c(F)cccc1CC ZINC000309620792 384170581 /nfs/dbraw/zinc/17/05/81/384170581.db2.gz FEPATGWCWYSZKG-LLVKDONJSA-N 0 3 221.319 3.442 20 30 BGEDHN C=CC[C@H](C)NCc1c(F)cccc1CC ZINC000309620794 384170353 /nfs/dbraw/zinc/17/03/53/384170353.db2.gz FEPATGWCWYSZKG-NSHDSACASA-N 0 3 221.319 3.442 20 30 BGEDHN CC#CCN[C@@H](c1ccccc1)C(C)(C)C ZINC000309625915 388459980 /nfs/dbraw/zinc/45/99/80/388459980.db2.gz QCYRFAVGJSJGGN-AWEZNQCLSA-N 0 3 215.340 3.387 20 30 BGEDHN CC#CCN[C@H](c1ccccc1)C(C)(C)C ZINC000309625916 388460002 /nfs/dbraw/zinc/46/00/02/388460002.db2.gz QCYRFAVGJSJGGN-CQSZACIVSA-N 0 3 215.340 3.387 20 30 BGEDHN N#CCCCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000309632686 385755516 /nfs/dbraw/zinc/75/55/16/385755516.db2.gz LFIFTMMDYVLZCE-CYBMUJFWSA-N 0 3 234.730 3.221 20 30 BGEDHN N#CCCCN[C@H]1CCc2ccc(Cl)cc21 ZINC000309632687 385756494 /nfs/dbraw/zinc/75/64/94/385756494.db2.gz LFIFTMMDYVLZCE-ZDUSSCGKSA-N 0 3 234.730 3.221 20 30 BGEDHN C=C(CC)CNC1(c2cccc(F)c2)CC1 ZINC000309634872 384184950 /nfs/dbraw/zinc/18/49/50/384184950.db2.gz SCVGTVNOQMPCTM-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN C#C[C@@H](NCc1cccc(Cl)c1)C(C)(C)C ZINC000309656243 632618955 /nfs/dbraw/zinc/61/89/55/632618955.db2.gz ZJZFJZNSXHNTCC-CYBMUJFWSA-N 0 3 235.758 3.478 20 30 BGEDHN C#C[C@H](NCc1cccc(Cl)c1)C(C)(C)C ZINC000309656244 632619302 /nfs/dbraw/zinc/61/93/02/632619302.db2.gz ZJZFJZNSXHNTCC-ZDUSSCGKSA-N 0 3 235.758 3.478 20 30 BGEDHN CC(C)(CCC#N)CNCc1ccc(Cl)o1 ZINC000309665262 385775882 /nfs/dbraw/zinc/77/58/82/385775882.db2.gz HMGGTKCVXCVTEU-UHFFFAOYSA-N 0 3 240.734 3.353 20 30 BGEDHN CC#CCN[C@@H](CC1CC1)c1ccccc1 ZINC000309674046 491153673 /nfs/dbraw/zinc/15/36/73/491153673.db2.gz LBVKCICQLMVVLO-HNNXBMFYSA-N 0 3 213.324 3.141 20 30 BGEDHN CC#CCN[C@H](CC1CC1)c1ccccc1 ZINC000309674047 491153696 /nfs/dbraw/zinc/15/36/96/491153696.db2.gz LBVKCICQLMVVLO-OAHLLOKOSA-N 0 3 213.324 3.141 20 30 BGEDHN C=CCCCCNCc1csc(C2CC2)n1 ZINC000309682148 347133839 /nfs/dbraw/zinc/13/38/39/347133839.db2.gz NKNNUKRMFAQPTB-UHFFFAOYSA-N 0 3 236.384 3.466 20 30 BGEDHN CC(C)(N[C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000309694334 385795693 /nfs/dbraw/zinc/79/56/93/385795693.db2.gz QVKGKKUEUWUODX-GHMZBOCLSA-N 0 3 234.368 3.265 20 30 BGEDHN CC(C)(N[C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000309694336 386311708 /nfs/dbraw/zinc/31/17/08/386311708.db2.gz QVKGKKUEUWUODX-MNOVXSKESA-N 0 3 234.368 3.265 20 30 BGEDHN CC(C)(N[C@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000309694338 384736381 /nfs/dbraw/zinc/73/63/81/384736381.db2.gz QVKGKKUEUWUODX-QWRGUYRKSA-N 0 3 234.368 3.265 20 30 BGEDHN CC(C)(N[C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000309694339 385794239 /nfs/dbraw/zinc/79/42/39/385794239.db2.gz QVKGKKUEUWUODX-WDEREUQCSA-N 0 3 234.368 3.265 20 30 BGEDHN CCCC1CCC(NCC2(C#N)CC2)CC1 ZINC000309701215 370246680 /nfs/dbraw/zinc/24/66/80/370246680.db2.gz MQDRPHZKQYFKDE-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN CCC(CC)(CC)NCc1nc(C#N)cs1 ZINC000309716044 168317654 /nfs/dbraw/zinc/31/76/54/168317654.db2.gz SXMTYTDSSZSWSF-UHFFFAOYSA-N 0 3 237.372 3.073 20 30 BGEDHN Cc1cnc([C@@H](C)NC[C@@H](C)CCC#N)s1 ZINC000309719655 342801038 /nfs/dbraw/zinc/80/10/38/342801038.db2.gz BILNMBLWJGWYPL-GXSJLCMTSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1cnc([C@H](C)NC[C@H](C)CCC#N)s1 ZINC000309719656 342801032 /nfs/dbraw/zinc/80/10/32/342801032.db2.gz BILNMBLWJGWYPL-KOLCDFICSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1cnc([C@@H](C)NC[C@H](C)CCC#N)s1 ZINC000309719657 342800943 /nfs/dbraw/zinc/80/09/43/342800943.db2.gz BILNMBLWJGWYPL-MWLCHTKSSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1cnc([C@H](C)NC[C@@H](C)CCC#N)s1 ZINC000309719658 347147849 /nfs/dbraw/zinc/14/78/49/347147849.db2.gz BILNMBLWJGWYPL-ONGXEEELSA-N 0 3 237.372 3.042 20 30 BGEDHN C=C(CC)CNC(C)(C)c1c(C)noc1C ZINC000309741150 347150376 /nfs/dbraw/zinc/15/03/76/347150376.db2.gz DIIATJCXQVZEKB-UHFFFAOYSA-N 0 3 222.332 3.082 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCC1(C#N)CC1 ZINC000309743404 347152527 /nfs/dbraw/zinc/15/25/27/347152527.db2.gz DWGHHYAYDIJQGO-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@H]1NCC1(C#N)CC1 ZINC000309743406 347152429 /nfs/dbraw/zinc/15/24/29/347152429.db2.gz DWGHHYAYDIJQGO-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCC1(C#N)CC1 ZINC000309743408 347152520 /nfs/dbraw/zinc/15/25/20/347152520.db2.gz DWGHHYAYDIJQGO-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCC1(C#N)CC1 ZINC000309743409 398322438 /nfs/dbraw/zinc/32/24/38/398322438.db2.gz DWGHHYAYDIJQGO-VXGBXAGGSA-N 0 3 220.360 3.095 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2nc(C)sc2c1 ZINC000309743807 398322463 /nfs/dbraw/zinc/32/24/63/398322463.db2.gz FALXTJSMNPWMKB-SECBINFHSA-N 0 3 232.352 3.269 20 30 BGEDHN C=C[C@H](C)NCc1ccc2nc(C)sc2c1 ZINC000309743809 398322508 /nfs/dbraw/zinc/32/25/08/398322508.db2.gz FALXTJSMNPWMKB-VIFPVBQESA-N 0 3 232.352 3.269 20 30 BGEDHN C[C@@H]1CCCC[C@H]1NCC1(C#N)CCCC1 ZINC000309747119 370253308 /nfs/dbraw/zinc/25/33/08/370253308.db2.gz FVDTYPKGEWMJSE-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1NCC1(C#N)CCCC1 ZINC000309747120 342846646 /nfs/dbraw/zinc/84/66/46/342846646.db2.gz FVDTYPKGEWMJSE-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCCC[C@H]1NCC1(C#N)CCCC1 ZINC000309747121 342846767 /nfs/dbraw/zinc/84/67/67/342846767.db2.gz FVDTYPKGEWMJSE-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCCC[C@@H]1NCC1(C#N)CCCC1 ZINC000309747122 342846779 /nfs/dbraw/zinc/84/67/79/342846779.db2.gz FVDTYPKGEWMJSE-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C=C(CC)CN[C@H](c1cccnc1)C1CC1 ZINC000309748800 384574691 /nfs/dbraw/zinc/57/46/91/384574691.db2.gz GHBMSFOQTKRWDV-AWEZNQCLSA-N 0 3 216.328 3.089 20 30 BGEDHN C=C(CC)CN[C@@H](c1cccnc1)C1CC1 ZINC000309748801 384791487 /nfs/dbraw/zinc/79/14/87/384791487.db2.gz GHBMSFOQTKRWDV-CQSZACIVSA-N 0 3 216.328 3.089 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2c(c1)CCCC2 ZINC000309749217 388463181 /nfs/dbraw/zinc/46/31/81/388463181.db2.gz GIGFADAULPPWNY-GFCCVEGCSA-N 0 3 215.340 3.230 20 30 BGEDHN C=C[C@H](C)NCc1ccc2c(c1)CCCC2 ZINC000309749218 388463450 /nfs/dbraw/zinc/46/34/50/388463450.db2.gz GIGFADAULPPWNY-LBPRGKRZSA-N 0 3 215.340 3.230 20 30 BGEDHN C#C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000309775111 632668560 /nfs/dbraw/zinc/66/85/60/632668560.db2.gz LLVWLTXHRIHANC-JKOKRWQUSA-N 0 3 233.742 3.260 20 30 BGEDHN C#C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000309775112 633730713 /nfs/dbraw/zinc/73/07/13/633730713.db2.gz LLVWLTXHRIHANC-OSMZGAPFSA-N 0 3 233.742 3.260 20 30 BGEDHN C#C[C@H](NC[C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000309775113 632668921 /nfs/dbraw/zinc/66/89/21/632668921.db2.gz LLVWLTXHRIHANC-QKCSRTOESA-N 0 3 233.742 3.260 20 30 BGEDHN C#C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000309775114 634005241 /nfs/dbraw/zinc/00/52/41/634005241.db2.gz LLVWLTXHRIHANC-SUHUHFCYSA-N 0 3 233.742 3.260 20 30 BGEDHN C=C[C@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000309777133 388464515 /nfs/dbraw/zinc/46/45/15/388464515.db2.gz LXPASSUHRSTCFC-LWTINBJPSA-N 0 3 223.266 3.142 20 30 BGEDHN C=C[C@@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000309777140 388464731 /nfs/dbraw/zinc/46/47/31/388464731.db2.gz LXPASSUHRSTCFC-ORAHPGNNSA-N 0 3 223.266 3.142 20 30 BGEDHN C=C[C@@H](C)NC/C=C\c1ccc(F)c(F)c1 ZINC000309777147 388464747 /nfs/dbraw/zinc/46/47/47/388464747.db2.gz LXPASSUHRSTCFC-UMCURTJPSA-N 0 3 223.266 3.142 20 30 BGEDHN C=C[C@H](C)NC/C=C/c1ccc(F)c(F)c1 ZINC000309777153 388464906 /nfs/dbraw/zinc/46/49/06/388464906.db2.gz LXPASSUHRSTCFC-YEZKRMTDSA-N 0 3 223.266 3.142 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H](C)CCC#N)c(C)o1 ZINC000309783159 347163059 /nfs/dbraw/zinc/16/30/59/347163059.db2.gz RSXMPWOFJZZQSA-GXSJLCMTSA-N 0 3 220.316 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@H](C)CCC#N)c(C)o1 ZINC000309783163 347163173 /nfs/dbraw/zinc/16/31/73/347163173.db2.gz RSXMPWOFJZZQSA-KOLCDFICSA-N 0 3 220.316 3.239 20 30 BGEDHN Cc1cc([C@@H](C)N[C@H](C)CCC#N)c(C)o1 ZINC000309783173 347162724 /nfs/dbraw/zinc/16/27/24/347162724.db2.gz RSXMPWOFJZZQSA-MWLCHTKSSA-N 0 3 220.316 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@@H](C)CCC#N)c(C)o1 ZINC000309783182 384606063 /nfs/dbraw/zinc/60/60/63/384606063.db2.gz RSXMPWOFJZZQSA-ONGXEEELSA-N 0 3 220.316 3.239 20 30 BGEDHN C[C@H](CCCC(F)(F)F)NCC1(C#N)CC1 ZINC000309786108 364729181 /nfs/dbraw/zinc/72/91/81/364729181.db2.gz SQMRCRMPYJUYPP-SECBINFHSA-N 0 3 234.265 3.001 20 30 BGEDHN C[C@@H](CCCC(F)(F)F)NCC1(C#N)CC1 ZINC000309786384 326168643 /nfs/dbraw/zinc/16/86/43/326168643.db2.gz SQMRCRMPYJUYPP-VIFPVBQESA-N 0 3 234.265 3.001 20 30 BGEDHN C=C(CC)CNC(C)(C)c1ccc(C)nc1 ZINC000309788862 347162237 /nfs/dbraw/zinc/16/22/37/347162237.db2.gz OSOWOWMICXJAIB-UHFFFAOYSA-N 0 3 218.344 3.181 20 30 BGEDHN C[C@@H]([C@H](C)NC[C@H](C)C#N)C1CCCCC1 ZINC000309808579 326169282 /nfs/dbraw/zinc/16/92/82/326169282.db2.gz YJOJGSBCGVPFQK-AGIUHOORSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](NC[C@H](C)C#N)[C@H](C)C1CCCCC1 ZINC000309808580 326169290 /nfs/dbraw/zinc/16/92/90/326169290.db2.gz YJOJGSBCGVPFQK-FRRDWIJNSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](NC[C@H](C)C#N)[C@@H](C)C1CCCCC1 ZINC000309808582 326169180 /nfs/dbraw/zinc/16/91/80/326169180.db2.gz YJOJGSBCGVPFQK-JHJVBQTASA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H](C#N)CN[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000309808583 326169147 /nfs/dbraw/zinc/16/91/47/326169147.db2.gz YJOJGSBCGVPFQK-UPJWGTAASA-N 0 3 222.376 3.341 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cccc(C#N)c1 ZINC000309812419 384629160 /nfs/dbraw/zinc/62/91/60/384629160.db2.gz UOZSOSLCKOHEQA-GFCCVEGCSA-N 0 3 214.312 3.175 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cccc(C#N)c1 ZINC000309812420 384629640 /nfs/dbraw/zinc/62/96/40/384629640.db2.gz UOZSOSLCKOHEQA-LBPRGKRZSA-N 0 3 214.312 3.175 20 30 BGEDHN C[C@H](CCC1CCCC1)NCC(C)(C)C#N ZINC000309813122 388465595 /nfs/dbraw/zinc/46/55/95/388465595.db2.gz ZRNXIYMDJISXAU-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@@H](CCC1CCCC1)NCC(C)(C)C#N ZINC000309813124 388465701 /nfs/dbraw/zinc/46/57/01/388465701.db2.gz ZRNXIYMDJISXAU-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN Cc1cc(Cl)cc(C)c1CNCCCC#N ZINC000309837967 347184295 /nfs/dbraw/zinc/18/42/95/347184295.db2.gz BTKKXGKBZOZSCB-UHFFFAOYSA-N 0 3 236.746 3.350 20 30 BGEDHN C#C[C@H](CC)NCc1cccc(SCC)c1 ZINC000309838266 634023462 /nfs/dbraw/zinc/02/34/62/634023462.db2.gz BTESTNYQNGSSBU-CYBMUJFWSA-N 0 3 233.380 3.300 20 30 BGEDHN C#C[C@@H](CC)NCc1cccc(SCC)c1 ZINC000309838274 633823702 /nfs/dbraw/zinc/82/37/02/633823702.db2.gz BTESTNYQNGSSBU-ZDUSSCGKSA-N 0 3 233.380 3.300 20 30 BGEDHN C=CCCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000309849230 633840354 /nfs/dbraw/zinc/84/03/54/633840354.db2.gz IGOFFTWIGHGGCU-UHFFFAOYSA-N 0 3 239.746 3.410 20 30 BGEDHN CSc1ccccc1[C@H](C)NCCCC#N ZINC000309865680 347190102 /nfs/dbraw/zinc/19/01/02/347190102.db2.gz OMBKNGZGQSFQBJ-NSHDSACASA-N 0 3 234.368 3.363 20 30 BGEDHN C=CCCCNCc1ccc(OC)cc1Cl ZINC000309866252 388467029 /nfs/dbraw/zinc/46/70/29/388467029.db2.gz ORULENCFLVQFNT-UHFFFAOYSA-N 0 3 239.746 3.404 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)C1CCCCCC1 ZINC000309889929 326174126 /nfs/dbraw/zinc/17/41/26/326174126.db2.gz ZXMQXIYZPOLEFQ-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN N#CC1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000309896324 343975671 /nfs/dbraw/zinc/97/56/71/343975671.db2.gz HSTDAIRBNVAEMU-GFCCVEGCSA-N 0 3 242.313 3.047 20 30 BGEDHN N#CC1CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000309896325 343975835 /nfs/dbraw/zinc/97/58/35/343975835.db2.gz HSTDAIRBNVAEMU-LBPRGKRZSA-N 0 3 242.313 3.047 20 30 BGEDHN C=CCCCN[C@H](C)c1ncccc1CC ZINC000309941445 388469479 /nfs/dbraw/zinc/46/94/79/388469479.db2.gz BTGHOFIJCVNEND-GFCCVEGCSA-N 0 3 218.344 3.261 20 30 BGEDHN C=CCCCN[C@@H](C)c1ncccc1CC ZINC000309941448 388469941 /nfs/dbraw/zinc/46/99/41/388469941.db2.gz BTGHOFIJCVNEND-LBPRGKRZSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(Cl)CN[C@H](CC)c1ccc(C)cc1O ZINC000309994895 634055046 /nfs/dbraw/zinc/05/50/46/634055046.db2.gz BXDNBOHLMJIXGM-GFCCVEGCSA-N 0 3 239.746 3.494 20 30 BGEDHN C=C(Cl)CN[C@@H](CC)c1ccc(C)cc1O ZINC000309994897 634054885 /nfs/dbraw/zinc/05/48/85/634054885.db2.gz BXDNBOHLMJIXGM-LBPRGKRZSA-N 0 3 239.746 3.494 20 30 BGEDHN CCCC[C@@H](NCC1(C#N)CC1)C1CCC1 ZINC000309994905 385007974 /nfs/dbraw/zinc/00/79/74/385007974.db2.gz BXHUHHFRRNKHHR-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCC[C@H](NCC1(C#N)CC1)C1CCC1 ZINC000309994906 385009131 /nfs/dbraw/zinc/00/91/31/385009131.db2.gz BXHUHHFRRNKHHR-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN C=C(C)CCN[C@H](CC)c1c(C)noc1C ZINC000310002513 347218104 /nfs/dbraw/zinc/21/81/04/347218104.db2.gz FIGFFECURLRWCD-GFCCVEGCSA-N 0 3 222.332 3.298 20 30 BGEDHN C=C(C)CCN[C@@H](CC)c1c(C)noc1C ZINC000310002515 347217855 /nfs/dbraw/zinc/21/78/55/347217855.db2.gz FIGFFECURLRWCD-LBPRGKRZSA-N 0 3 222.332 3.298 20 30 BGEDHN CCC1(C)CCC(NCC(C)(C)C#N)CC1 ZINC000310002883 136220218 /nfs/dbraw/zinc/22/02/18/136220218.db2.gz FMHCIOYWOGSXDI-UHFFFAOYSA-N 0 3 222.376 3.485 20 30 BGEDHN CCC1(C)CCC(NCC2(C#N)CC2)CC1 ZINC000310005443 259379017 /nfs/dbraw/zinc/37/90/17/259379017.db2.gz GLNXFPVPKYSRBS-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCCC[C@H]1C1CC1 ZINC000310008050 385021960 /nfs/dbraw/zinc/02/19/60/385021960.db2.gz HMVGWEXWTFBJCO-HZSPNIEDSA-N 0 3 220.360 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCCC[C@@H]1C1CC1 ZINC000310008051 385022230 /nfs/dbraw/zinc/02/22/30/385022230.db2.gz HMVGWEXWTFBJCO-MCIONIFRSA-N 0 3 220.360 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCCC[C@@H]1C1CC1 ZINC000310008052 134497983 /nfs/dbraw/zinc/49/79/83/134497983.db2.gz HMVGWEXWTFBJCO-MGPQQGTHSA-N 0 3 220.360 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCCC[C@H]1C1CC1 ZINC000310008053 385020038 /nfs/dbraw/zinc/02/00/38/385020038.db2.gz HMVGWEXWTFBJCO-RDBSUJKOSA-N 0 3 220.360 3.237 20 30 BGEDHN C=CC[C@H](CC)NCc1nc2c(s1)CCC2 ZINC000310022991 491160331 /nfs/dbraw/zinc/16/03/31/491160331.db2.gz OECHERWNEMXQSH-JTQLQIEISA-N 0 3 236.384 3.076 20 30 BGEDHN C=CC[C@@H](CC)NCc1nc2c(s1)CCC2 ZINC000310022992 491160316 /nfs/dbraw/zinc/16/03/16/491160316.db2.gz OECHERWNEMXQSH-SNVBAGLBSA-N 0 3 236.384 3.076 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CNCC2(C#N)CC2)C1 ZINC000310025189 370290179 /nfs/dbraw/zinc/29/01/79/370290179.db2.gz OXDBQLWAFPALBG-CHWSQXEVSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@@H]1CCC[C@H](CNCC2(C#N)CC2)C1 ZINC000310025190 370290460 /nfs/dbraw/zinc/29/04/60/370290460.db2.gz OXDBQLWAFPALBG-OLZOCXBDSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@H]1CCC[C@@H](CNCC2(C#N)CC2)C1 ZINC000310025192 343215318 /nfs/dbraw/zinc/21/53/18/343215318.db2.gz OXDBQLWAFPALBG-QWHCGFSZSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@H]1CCC[C@H](CNCC2(C#N)CC2)C1 ZINC000310025193 343215561 /nfs/dbraw/zinc/21/55/61/343215561.db2.gz OXDBQLWAFPALBG-STQMWFEESA-N 0 3 220.360 3.096 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000310029571 347223383 /nfs/dbraw/zinc/22/33/83/347223383.db2.gz QQXVEXLKLWCTOF-BXUZGUMPSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000310029572 347223403 /nfs/dbraw/zinc/22/34/03/347223403.db2.gz QQXVEXLKLWCTOF-FZMZJTMJSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000310029573 347223639 /nfs/dbraw/zinc/22/36/39/347223639.db2.gz QQXVEXLKLWCTOF-RISCZKNCSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000310029574 347223705 /nfs/dbraw/zinc/22/37/05/347223705.db2.gz QQXVEXLKLWCTOF-SMDDNHRTSA-N 0 3 214.312 3.173 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1ccsc1 ZINC000310030719 347220684 /nfs/dbraw/zinc/22/06/84/347220684.db2.gz RAVYCZWCOZISRG-AAEUAGOBSA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)CCc1ccsc1 ZINC000310030721 347220806 /nfs/dbraw/zinc/22/08/06/347220806.db2.gz RAVYCZWCOZISRG-DGCLKSJQSA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccsc1 ZINC000310030722 347220662 /nfs/dbraw/zinc/22/06/62/347220662.db2.gz RAVYCZWCOZISRG-WCQYABFASA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)CCc1ccsc1 ZINC000310030724 347220773 /nfs/dbraw/zinc/22/07/73/347220773.db2.gz RAVYCZWCOZISRG-YPMHNXCESA-N 0 3 236.384 3.351 20 30 BGEDHN CCCCCCCNCc1c(Cl)cnn1C ZINC000310035621 632696346 /nfs/dbraw/zinc/69/63/46/632696346.db2.gz TZZLILTWXHSVHA-UHFFFAOYSA-N 0 3 243.782 3.134 20 30 BGEDHN C=C(C)CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000310036503 634097992 /nfs/dbraw/zinc/09/79/92/634097992.db2.gz UKWCWVNABOXBCO-CYBMUJFWSA-N 0 3 219.328 3.399 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000310036504 632696320 /nfs/dbraw/zinc/69/63/20/632696320.db2.gz UKWCWVNABOXBCO-ZDUSSCGKSA-N 0 3 219.328 3.399 20 30 BGEDHN CCCCCCCN[C@H](C)c1nccn1C ZINC000310037828 632695561 /nfs/dbraw/zinc/69/55/61/632695561.db2.gz VMFYTEZKAFTPKL-GFCCVEGCSA-N 0 3 223.364 3.041 20 30 BGEDHN CCCCCCCN[C@@H](C)c1nccn1C ZINC000310037829 632696505 /nfs/dbraw/zinc/69/65/05/632696505.db2.gz VMFYTEZKAFTPKL-LBPRGKRZSA-N 0 3 223.364 3.041 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](CC)Cc1cccs1 ZINC000310037937 343226949 /nfs/dbraw/zinc/22/69/49/343226949.db2.gz VPNLLRBARIACQZ-NEPJUHHUSA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@H](Cc1cccs1)N[C@@H](CC)CC#N ZINC000310037938 343227277 /nfs/dbraw/zinc/22/72/77/343227277.db2.gz VPNLLRBARIACQZ-NWDGAFQWSA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](CC)Cc1cccs1 ZINC000310037939 343227058 /nfs/dbraw/zinc/22/70/58/343227058.db2.gz VPNLLRBARIACQZ-RYUDHWBXSA-N 0 3 236.384 3.351 20 30 BGEDHN CC[C@H](CC#N)N[C@H](CC)Cc1cccs1 ZINC000310037940 343227052 /nfs/dbraw/zinc/22/70/52/343227052.db2.gz VPNLLRBARIACQZ-VXGBXAGGSA-N 0 3 236.384 3.351 20 30 BGEDHN C=C(CC)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000310039576 632696858 /nfs/dbraw/zinc/69/68/58/632696858.db2.gz XCJKYFDHEXORTN-CYBMUJFWSA-N 0 3 219.328 3.399 20 30 BGEDHN C=C(CC)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000310039577 632696119 /nfs/dbraw/zinc/69/61/19/632696119.db2.gz XCJKYFDHEXORTN-ZDUSSCGKSA-N 0 3 219.328 3.399 20 30 BGEDHN CSCCCN(C)Cc1ccc(C#N)cc1C ZINC000310064088 343257477 /nfs/dbraw/zinc/25/74/77/343257477.db2.gz BOUWWPDHSUTLER-UHFFFAOYSA-N 0 3 248.395 3.052 20 30 BGEDHN CC1(C)CC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000310066922 343257480 /nfs/dbraw/zinc/25/74/80/343257480.db2.gz BVGAZWRBIQQKBF-CYBMUJFWSA-N 0 3 248.757 3.490 20 30 BGEDHN CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000310066923 343257270 /nfs/dbraw/zinc/25/72/70/343257270.db2.gz BVGAZWRBIQQKBF-ZDUSSCGKSA-N 0 3 248.757 3.490 20 30 BGEDHN C=CCCCCNCc1ccc(OC)cc1F ZINC000310091176 343262956 /nfs/dbraw/zinc/26/29/56/343262956.db2.gz RFCBTJMMPSTMIE-UHFFFAOYSA-N 0 3 237.318 3.280 20 30 BGEDHN CCCN(Cc1ccccc1C#N)CC(C)C ZINC000310108766 169177940 /nfs/dbraw/zinc/17/79/40/169177940.db2.gz QFWRITDYFKFIFU-UHFFFAOYSA-N 0 3 230.355 3.426 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000310134670 632702630 /nfs/dbraw/zinc/70/26/30/632702630.db2.gz BQNVOPKKFRFPNU-UHFFFAOYSA-N 0 3 233.355 3.393 20 30 BGEDHN C=CCCCCCCN[C@H](C)c1nccn1C ZINC000310185406 632706618 /nfs/dbraw/zinc/70/66/18/632706618.db2.gz YICOFDJTKKEJIG-CYBMUJFWSA-N 0 3 235.375 3.207 20 30 BGEDHN C=CCCCCCCN[C@@H](C)c1nccn1C ZINC000310185407 632706866 /nfs/dbraw/zinc/70/68/66/632706866.db2.gz YICOFDJTKKEJIG-ZDUSSCGKSA-N 0 3 235.375 3.207 20 30 BGEDHN C=CCC(C)(C)CNCc1occc1C ZINC000310199117 534553402 /nfs/dbraw/zinc/55/34/02/534553402.db2.gz AOGNVOFWIWKWSN-UHFFFAOYSA-N 0 3 207.317 3.280 20 30 BGEDHN C=CCOCCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000310208068 491160765 /nfs/dbraw/zinc/16/07/65/491160765.db2.gz UIZMOKGJBUVSKE-DOMZBBRYSA-N 0 3 231.339 3.027 20 30 BGEDHN C=CCOCCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000310208069 491160760 /nfs/dbraw/zinc/16/07/60/491160760.db2.gz UIZMOKGJBUVSKE-IUODEOHRSA-N 0 3 231.339 3.027 20 30 BGEDHN C=CCOCCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000310208070 491160756 /nfs/dbraw/zinc/16/07/56/491160756.db2.gz UIZMOKGJBUVSKE-SWLSCSKDSA-N 0 3 231.339 3.027 20 30 BGEDHN C=CCOCCN[C@H]1C[C@H](C)c2ccccc21 ZINC000310208071 491160749 /nfs/dbraw/zinc/16/07/49/491160749.db2.gz UIZMOKGJBUVSKE-WFASDCNBSA-N 0 3 231.339 3.027 20 30 BGEDHN C=CCCCN[C@H](C)c1ccc(OC)cc1F ZINC000310233423 388478384 /nfs/dbraw/zinc/47/83/84/388478384.db2.gz 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ZINC000313488395 259335709 /nfs/dbraw/zinc/33/57/09/259335709.db2.gz GYFIWRCEHFZGCQ-UHFFFAOYSA-N 0 3 219.328 3.141 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)cc1F ZINC000313488854 259335712 /nfs/dbraw/zinc/33/57/12/259335712.db2.gz AZDKHBMUYSANET-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)cc1F ZINC000313488858 259335666 /nfs/dbraw/zinc/33/56/66/259335666.db2.gz AZDKHBMUYSANET-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CNCc1ccc2ncccc2c1 ZINC000313488887 259335685 /nfs/dbraw/zinc/33/56/85/259335685.db2.gz BAHOGVXMLFFHIP-UHFFFAOYSA-N 0 3 226.323 3.291 20 30 BGEDHN C=C(CC)CNC/C=C/c1ccccc1 ZINC000313490371 384420760 /nfs/dbraw/zinc/42/07/60/384420760.db2.gz VKLAWNLMHDDWOY-JXMROGBWSA-N 0 3 201.313 3.256 20 30 BGEDHN C=C(CC)CNC/C=C\c1ccccc1 ZINC000313490372 384420597 /nfs/dbraw/zinc/42/05/97/384420597.db2.gz VKLAWNLMHDDWOY-YFHOEESVSA-N 0 3 201.313 3.256 20 30 BGEDHN C=C(CC)CNCc1cc(Cl)cs1 ZINC000313490395 256550115 /nfs/dbraw/zinc/55/01/15/256550115.db2.gz VSPWFUCWBPUUQU-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN C=CCOc1ccc(CNCC(=C)CC)cc1 ZINC000313490869 384420381 /nfs/dbraw/zinc/42/03/81/384420381.db2.gz VYHNVHXTUVOJLB-UHFFFAOYSA-N 0 3 231.339 3.307 20 30 BGEDHN C=C(CC)CNCc1cc2ccccc2o1 ZINC000313490935 384421066 /nfs/dbraw/zinc/42/10/66/384421066.db2.gz WPBDBNVARYNIJQ-UHFFFAOYSA-N 0 3 215.296 3.489 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313491794 384420320 /nfs/dbraw/zinc/42/03/20/384420320.db2.gz LYLATAQPZOUEAA-LLVKDONJSA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313491796 384420543 /nfs/dbraw/zinc/42/05/43/384420543.db2.gz LYLATAQPZOUEAA-NSHDSACASA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(CC)CNCc1ccc(OC)c(OCC)c1 ZINC000313491911 384420277 /nfs/dbraw/zinc/42/02/77/384420277.db2.gz BLOITDUAEUPXCG-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=C(CC)CNCc1ccc(OCC)cc1 ZINC000313492254 256549933 /nfs/dbraw/zinc/54/99/33/256549933.db2.gz NBZUBLWNAHCACL-UHFFFAOYSA-N 0 3 219.328 3.141 20 30 BGEDHN C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000313492543 641566479 /nfs/dbraw/zinc/56/64/79/641566479.db2.gz COKFRBCJPDISLQ-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000313492544 634476027 /nfs/dbraw/zinc/47/60/27/634476027.db2.gz COKFRBCJPDISLQ-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(CC)CNCc1cc(C)ccc1OC ZINC000313493311 384421189 /nfs/dbraw/zinc/42/11/89/384421189.db2.gz QPHVBUKPXVBLSV-UHFFFAOYSA-N 0 3 219.328 3.059 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2ccc(OC)cc21 ZINC000313493685 256550004 /nfs/dbraw/zinc/55/00/04/256550004.db2.gz FNGGLSBQTQEGOS-HNNXBMFYSA-N 0 3 231.339 3.238 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2ccc(OC)cc21 ZINC000313493686 384420534 /nfs/dbraw/zinc/42/05/34/384420534.db2.gz FNGGLSBQTQEGOS-OAHLLOKOSA-N 0 3 231.339 3.238 20 30 BGEDHN C=C(CC)CNCc1cccc(C)c1F ZINC000313494401 384423352 /nfs/dbraw/zinc/42/33/52/384423352.db2.gz HWNWPPUVTMCUCY-UHFFFAOYSA-N 0 3 207.292 3.190 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000313496064 344087525 /nfs/dbraw/zinc/08/75/25/344087525.db2.gz YQTYPWXUDFVBDS-LLVKDONJSA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000313496065 344087336 /nfs/dbraw/zinc/08/73/36/344087336.db2.gz YQTYPWXUDFVBDS-NSHDSACASA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(CC)CNCc1ccccc1OC(F)F ZINC000313496552 384426056 /nfs/dbraw/zinc/42/60/56/384426056.db2.gz ILLJCAAVAVVIFH-UHFFFAOYSA-N 0 3 241.281 3.344 20 30 BGEDHN C=C(CC)CNCc1ccc(OC(F)F)cc1 ZINC000313496640 262724770 /nfs/dbraw/zinc/72/47/70/262724770.db2.gz IPDMGPGBKFEDJS-UHFFFAOYSA-N 0 3 241.281 3.344 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000313496820 323091986 /nfs/dbraw/zinc/09/19/86/323091986.db2.gz CBUKOWMDZHEXBN-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000313496825 323091996 /nfs/dbraw/zinc/09/19/96/323091996.db2.gz CBUKOWMDZHEXBN-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cc(OC)ccc1OC ZINC000313497509 323091940 /nfs/dbraw/zinc/09/19/40/323091940.db2.gz LGXZJMODGJJXKJ-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000313497512 323091919 /nfs/dbraw/zinc/09/19/19/323091919.db2.gz LGXZJMODGJJXKJ-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(CC)CNCc1c[nH]nc1-c1cccs1 ZINC000313498102 259336415 /nfs/dbraw/zinc/33/64/15/259336415.db2.gz LPSBWAZYEOMNBU-UHFFFAOYSA-N 0 3 247.367 3.194 20 30 BGEDHN C=C(CC)CN[C@H](CC)c1ccc(F)cn1 ZINC000313499061 259336160 /nfs/dbraw/zinc/33/61/60/259336160.db2.gz NXESXFRZPJXZNN-GFCCVEGCSA-N 0 3 222.307 3.228 20 30 BGEDHN C=C(CC)CN[C@@H](CC)c1ccc(F)cn1 ZINC000313499064 259336086 /nfs/dbraw/zinc/33/60/86/259336086.db2.gz NXESXFRZPJXZNN-LBPRGKRZSA-N 0 3 222.307 3.228 20 30 BGEDHN C=CCOc1ccccc1CNCC(=C)CC ZINC000313499079 259336381 /nfs/dbraw/zinc/33/63/81/259336381.db2.gz OAHCVHIRKKAEMC-UHFFFAOYSA-N 0 3 231.339 3.307 20 30 BGEDHN C=C(CC)CNCc1ccc(SC)cc1 ZINC000313503745 384732151 /nfs/dbraw/zinc/73/21/51/384732151.db2.gz WBKIDMIHJMMRQI-UHFFFAOYSA-N 0 3 221.369 3.464 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000313503753 344094888 /nfs/dbraw/zinc/09/48/88/344094888.db2.gz MVXUIKDTMSYNQB-GFCCVEGCSA-N 0 3 247.338 3.075 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000313503754 384434663 /nfs/dbraw/zinc/43/46/63/384434663.db2.gz MVXUIKDTMSYNQB-LBPRGKRZSA-N 0 3 247.338 3.075 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000313505583 344093280 /nfs/dbraw/zinc/09/32/80/344093280.db2.gz PGZVVBPWERRGBW-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000313505585 350159478 /nfs/dbraw/zinc/15/94/78/350159478.db2.gz PGZVVBPWERRGBW-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CNCc1c(C)nc2sc(C)cn12 ZINC000313505595 411320971 /nfs/dbraw/zinc/32/09/71/411320971.db2.gz YJWZXGFZNJNHKA-UHFFFAOYSA-N 0 3 249.383 3.068 20 30 BGEDHN C=C(CC)CNCc1cc(F)cc(F)c1 ZINC000313505603 384434784 /nfs/dbraw/zinc/43/47/84/384434784.db2.gz PMMPGKAIQREPLW-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=C(CC)CNCc1ccc(OCC)c(OC)c1 ZINC000313505631 256550784 /nfs/dbraw/zinc/55/07/84/256550784.db2.gz PVPVKYAFCGADNV-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)cc1OC ZINC000313507220 350159777 /nfs/dbraw/zinc/15/97/77/350159777.db2.gz SXKIVRCFBGZASL-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)cc1OC ZINC000313507221 323092561 /nfs/dbraw/zinc/09/25/61/323092561.db2.gz SXKIVRCFBGZASL-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(CC)CNCc1ccc2cnccc2c1 ZINC000313507852 411320726 /nfs/dbraw/zinc/32/07/26/411320726.db2.gz VFSYSVRPCLCQBS-UHFFFAOYSA-N 0 3 226.323 3.291 20 30 BGEDHN C=C(CC)CNCc1cc(C)sc1C ZINC000313508664 350159699 /nfs/dbraw/zinc/15/96/99/350159699.db2.gz XKEAWKOCBJKACT-UHFFFAOYSA-N 0 3 209.358 3.421 20 30 BGEDHN C=C(CC)CNCc1c[nH]nc1-c1ccccc1 ZINC000313508691 384434323 /nfs/dbraw/zinc/43/43/23/384434323.db2.gz XPJFFXACASEHAC-UHFFFAOYSA-N 0 3 241.338 3.133 20 30 BGEDHN C=C(CC)CNCc1ccc(OC)c(Cl)c1 ZINC000313530125 259336106 /nfs/dbraw/zinc/33/61/06/259336106.db2.gz CUCFROCWNOWOLC-UHFFFAOYSA-N 0 3 239.746 3.404 20 30 BGEDHN C=C(CC)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000313531061 259336254 /nfs/dbraw/zinc/33/62/54/259336254.db2.gz FBGNDWXTYBSLOZ-AAEUAGOBSA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(CC)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000313531063 259336386 /nfs/dbraw/zinc/33/63/86/259336386.db2.gz FBGNDWXTYBSLOZ-DGCLKSJQSA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(CC)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000313531064 259336443 /nfs/dbraw/zinc/33/64/43/259336443.db2.gz FBGNDWXTYBSLOZ-WCQYABFASA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(CC)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000313531066 259336276 /nfs/dbraw/zinc/33/62/76/259336276.db2.gz FBGNDWXTYBSLOZ-YPMHNXCESA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2cc(F)ccc21 ZINC000313537530 259336410 /nfs/dbraw/zinc/33/64/10/259336410.db2.gz NQRVWFOKLLKVNJ-AWEZNQCLSA-N 0 3 219.303 3.369 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2cc(F)ccc21 ZINC000313537535 259336373 /nfs/dbraw/zinc/33/63/73/259336373.db2.gz NQRVWFOKLLKVNJ-CQSZACIVSA-N 0 3 219.303 3.369 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2c1cccc2F ZINC000313539268 259336431 /nfs/dbraw/zinc/33/64/31/259336431.db2.gz QIFUXKBMXOHJPS-AWEZNQCLSA-N 0 3 219.303 3.369 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2c1cccc2F ZINC000313539271 259336293 /nfs/dbraw/zinc/33/62/93/259336293.db2.gz QIFUXKBMXOHJPS-CQSZACIVSA-N 0 3 219.303 3.369 20 30 BGEDHN Cc1ccc(CNCC(C)(C)CCC#N)nc1C ZINC000313918715 384715139 /nfs/dbraw/zinc/71/51/39/384715139.db2.gz KLWNCPICWGSUQH-UHFFFAOYSA-N 0 3 245.370 3.118 20 30 BGEDHN CCC[C@@H](NCC(C)(C)C#N)C1CCC1 ZINC000322449636 343979264 /nfs/dbraw/zinc/97/92/64/343979264.db2.gz HSJPYZZCRVONNX-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@H](NCC(C)(C)C#N)C1CCC1 ZINC000322449637 343979571 /nfs/dbraw/zinc/97/95/71/343979571.db2.gz HSJPYZZCRVONNX-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@@H](N[C@H](CC)CC#N)C1CCC1 ZINC000322460394 491122531 /nfs/dbraw/zinc/12/25/31/491122531.db2.gz LDWWNBUGIBJCKQ-CHWSQXEVSA-N 0 3 208.349 3.237 20 30 BGEDHN CCC[C@H](N[C@H](CC)CC#N)C1CCC1 ZINC000322460395 491122539 /nfs/dbraw/zinc/12/25/39/491122539.db2.gz LDWWNBUGIBJCKQ-OLZOCXBDSA-N 0 3 208.349 3.237 20 30 BGEDHN CCC[C@@H](N[C@@H](CC)CC#N)C1CCC1 ZINC000322460396 363531935 /nfs/dbraw/zinc/53/19/35/363531935.db2.gz LDWWNBUGIBJCKQ-QWHCGFSZSA-N 0 3 208.349 3.237 20 30 BGEDHN CCC[C@H](N[C@@H](CC)CC#N)C1CCC1 ZINC000322460397 491122537 /nfs/dbraw/zinc/12/25/37/491122537.db2.gz LDWWNBUGIBJCKQ-STQMWFEESA-N 0 3 208.349 3.237 20 30 BGEDHN N#CC1CCN(CC/C=C/c2ccccc2)CC1 ZINC000323700906 323151120 /nfs/dbraw/zinc/15/11/20/323151120.db2.gz KSZADIJZAJBMLH-XBXARRHUSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CC1CCN(CC/C=C\c2ccccc2)CC1 ZINC000323700907 323151122 /nfs/dbraw/zinc/15/11/22/323151122.db2.gz KSZADIJZAJBMLH-YWEYNIOJSA-N 0 3 240.350 3.325 20 30 BGEDHN CC[C@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000324014718 350279016 /nfs/dbraw/zinc/27/90/16/350279016.db2.gz OSPYRPRVYRTUNF-AWEZNQCLSA-N 0 3 248.757 3.490 20 30 BGEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000324014719 350278817 /nfs/dbraw/zinc/27/88/17/350278817.db2.gz OSPYRPRVYRTUNF-CQSZACIVSA-N 0 3 248.757 3.490 20 30 BGEDHN CCC[C@@H](NCc1nc(C#N)cs1)C1CCC1 ZINC000324689459 262794427 /nfs/dbraw/zinc/79/44/27/262794427.db2.gz QEQFKHMTZHKRLA-GFCCVEGCSA-N 0 3 249.383 3.073 20 30 BGEDHN CCC[C@H](NCc1nc(C#N)cs1)C1CCC1 ZINC000324689460 262794143 /nfs/dbraw/zinc/79/41/43/262794143.db2.gz QEQFKHMTZHKRLA-LBPRGKRZSA-N 0 3 249.383 3.073 20 30 BGEDHN CCC[C@H](NCc1ccc(C#N)o1)C1CCC1 ZINC000324947576 387299375 /nfs/dbraw/zinc/29/93/75/387299375.db2.gz SQUMCHOLLOZEPW-AWEZNQCLSA-N 0 3 232.327 3.210 20 30 BGEDHN CCC[C@@H](NCc1ccc(C#N)o1)C1CCC1 ZINC000324947577 262797640 /nfs/dbraw/zinc/79/76/40/262797640.db2.gz SQUMCHOLLOZEPW-CQSZACIVSA-N 0 3 232.327 3.210 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1cccc(C#N)c1F ZINC000325499381 388370385 /nfs/dbraw/zinc/37/03/85/388370385.db2.gz BXJVCOKDJVOLLB-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1cccc(C#N)c1F ZINC000325499382 388370259 /nfs/dbraw/zinc/37/02/59/388370259.db2.gz BXJVCOKDJVOLLB-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1cc(F)ccc1C#N ZINC000325773657 388390198 /nfs/dbraw/zinc/39/01/98/388390198.db2.gz ITARJGKBFGAAEK-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1cc(F)ccc1C#N ZINC000325773660 388390397 /nfs/dbraw/zinc/39/03/97/388390397.db2.gz ITARJGKBFGAAEK-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1F ZINC000325793457 388392254 /nfs/dbraw/zinc/39/22/54/388392254.db2.gz GXDWQZXXILYKDL-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1F ZINC000325793458 388392263 /nfs/dbraw/zinc/39/22/63/388392263.db2.gz GXDWQZXXILYKDL-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1cc(C#N)ccc1F ZINC000325816266 176595217 /nfs/dbraw/zinc/59/52/17/176595217.db2.gz LGGNTAKIRKPQDN-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1cc(C#N)ccc1F ZINC000325816267 388393508 /nfs/dbraw/zinc/39/35/08/388393508.db2.gz LGGNTAKIRKPQDN-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1ccccc1C#N ZINC000325857126 388395346 /nfs/dbraw/zinc/39/53/46/388395346.db2.gz WTXWHGWEQNCTNR-GFCCVEGCSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1ccccc1C#N ZINC000325857128 388395670 /nfs/dbraw/zinc/39/56/70/388395670.db2.gz WTXWHGWEQNCTNR-LBPRGKRZSA-N 0 3 228.339 3.179 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCCC12CCCC2 ZINC000328086839 387865496 /nfs/dbraw/zinc/86/54/96/387865496.db2.gz HTDKKHDUADTUES-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCCC12CCCC2 ZINC000328086841 387864883 /nfs/dbraw/zinc/86/48/83/387864883.db2.gz HTDKKHDUADTUES-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](CC#N)NCCC(C)(C)C1CC1 ZINC000328506037 350405368 /nfs/dbraw/zinc/40/53/68/350405368.db2.gz YAVNEWOOXSMGAG-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H](CC#N)NCCC(C)(C)C1CC1 ZINC000328506038 350405399 /nfs/dbraw/zinc/40/53/99/350405399.db2.gz YAVNEWOOXSMGAG-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1c(C)noc1C ZINC000331203221 353229402 /nfs/dbraw/zinc/22/94/02/353229402.db2.gz WMIARWJIEKSKJE-AGIUHOORSA-N 0 3 247.342 3.024 20 30 BGEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1c(C)noc1C ZINC000331203222 353229422 /nfs/dbraw/zinc/22/94/22/353229422.db2.gz WMIARWJIEKSKJE-AVGNSLFASA-N 0 3 247.342 3.024 20 30 BGEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1c(C)noc1C ZINC000331203223 353229392 /nfs/dbraw/zinc/22/93/92/353229392.db2.gz WMIARWJIEKSKJE-UPJWGTAASA-N 0 3 247.342 3.024 20 30 BGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1c(C)noc1C ZINC000331203224 353229490 /nfs/dbraw/zinc/22/94/90/353229490.db2.gz WMIARWJIEKSKJE-XQQFMLRXSA-N 0 3 247.342 3.024 20 30 BGEDHN CC1(C)CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000334155148 388822889 /nfs/dbraw/zinc/82/28/89/388822889.db2.gz UIAZKHGTXPXDNC-LLVKDONJSA-N 0 3 249.383 3.073 20 30 BGEDHN CC1(C)CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000334155149 388823155 /nfs/dbraw/zinc/82/31/55/388823155.db2.gz UIAZKHGTXPXDNC-NSHDSACASA-N 0 3 249.383 3.073 20 30 BGEDHN N#CC1(CN2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000334208601 352805146 /nfs/dbraw/zinc/80/51/46/352805146.db2.gz KCMUKSVKXDLRKO-AWEZNQCLSA-N 0 3 230.355 3.112 20 30 BGEDHN N#CC1(CN2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000334208607 352805325 /nfs/dbraw/zinc/80/53/25/352805325.db2.gz KCMUKSVKXDLRKO-CQSZACIVSA-N 0 3 230.355 3.112 20 30 BGEDHN C=CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272890 352910761 /nfs/dbraw/zinc/91/07/61/352910761.db2.gz YCFWWEDPPBOKMA-JTQLQIEISA-N 0 3 233.277 3.227 20 30 BGEDHN C=CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272893 352910563 /nfs/dbraw/zinc/91/05/63/352910563.db2.gz YCFWWEDPPBOKMA-SNVBAGLBSA-N 0 3 233.277 3.227 20 30 BGEDHN C[C@H](NC1CCCC1)c1ccc(C#N)cc1F ZINC000334272998 135331831 /nfs/dbraw/zinc/33/18/31/135331831.db2.gz JPUCYSXAJKQZTE-JTQLQIEISA-N 0 3 232.302 3.291 20 30 BGEDHN C[C@@H](NC1CCCC1)c1ccc(C#N)cc1F ZINC000334272999 135331922 /nfs/dbraw/zinc/33/19/22/135331922.db2.gz JPUCYSXAJKQZTE-SNVBAGLBSA-N 0 3 232.302 3.291 20 30 BGEDHN C[C@H]1C[C@@H](c2ccccc2)CN1CC1(C#N)CC1 ZINC000334292513 352930065 /nfs/dbraw/zinc/93/00/65/352930065.db2.gz NUCCFIWDEOTCCN-DZGCQCFKSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@@H]1C[C@H](c2ccccc2)CN1CC1(C#N)CC1 ZINC000334292514 352929895 /nfs/dbraw/zinc/92/98/95/352929895.db2.gz NUCCFIWDEOTCCN-HIFRSBDPSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1CC1(C#N)CC1 ZINC000334292515 352929941 /nfs/dbraw/zinc/92/99/41/352929941.db2.gz NUCCFIWDEOTCCN-UKRRQHHQSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@H]1C[C@H](c2ccccc2)CN1CC1(C#N)CC1 ZINC000334292516 352929989 /nfs/dbraw/zinc/92/99/89/352929989.db2.gz NUCCFIWDEOTCCN-ZFWWWQNUSA-N 0 3 240.350 3.168 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000334420754 386024929 /nfs/dbraw/zinc/02/49/29/386024929.db2.gz TUUCGHHAYLPRCC-DOMZBBRYSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000334420761 386025143 /nfs/dbraw/zinc/02/51/43/386025143.db2.gz TUUCGHHAYLPRCC-IUODEOHRSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000334420764 386026727 /nfs/dbraw/zinc/02/67/27/386026727.db2.gz TUUCGHHAYLPRCC-SWLSCSKDSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000334420768 135399994 /nfs/dbraw/zinc/39/99/94/135399994.db2.gz TUUCGHHAYLPRCC-WFASDCNBSA-N 0 3 246.329 3.258 20 30 BGEDHN C[C@@H](NC1CC(C)C1)c1ccc(C#N)cc1F ZINC000334461828 383893429 /nfs/dbraw/zinc/89/34/29/383893429.db2.gz PNHPZERXKBFSBO-SQLBVSGCSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](NC1CC(C)C1)c1ccc(C#N)cc1F ZINC000334461830 135420097 /nfs/dbraw/zinc/42/00/97/135420097.db2.gz PNHPZERXKBFSBO-YZRBJQDESA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](NC1CC(C)(F)C1)c1cccc(C#N)c1 ZINC000334518850 383915286 /nfs/dbraw/zinc/91/52/86/383915286.db2.gz CGBPLCVRSJSFIK-FNBIGBAISA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@@H](NC1CC(C)(F)C1)c1cccc(C#N)c1 ZINC000334518853 383915355 /nfs/dbraw/zinc/91/53/55/383915355.db2.gz CGBPLCVRSJSFIK-GWMXKSKGSA-N 0 3 232.302 3.099 20 30 BGEDHN CC1(F)CC(N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000334519452 343889016 /nfs/dbraw/zinc/88/90/16/343889016.db2.gz INHXIUBVIHZBKI-BLZCZZARSA-N 0 3 244.313 3.026 20 30 BGEDHN CC1(F)CC(N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000334519455 343888980 /nfs/dbraw/zinc/88/89/80/343888980.db2.gz INHXIUBVIHZBKI-HNFVBEJKSA-N 0 3 244.313 3.026 20 30 BGEDHN CC1(C)CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000334520218 371512144 /nfs/dbraw/zinc/51/21/44/371512144.db2.gz ZUBBRLSNIDJNLR-JTQLQIEISA-N 0 3 249.383 3.073 20 30 BGEDHN CC1(C)CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000334520224 371511395 /nfs/dbraw/zinc/51/13/95/371511395.db2.gz ZUBBRLSNIDJNLR-SNVBAGLBSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H](NC1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000334521001 371511690 /nfs/dbraw/zinc/51/16/90/371511690.db2.gz YBDXQTKJMRENOJ-FNBIGBAISA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@@H](NC1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000334521003 371511755 /nfs/dbraw/zinc/51/17/55/371511755.db2.gz YBDXQTKJMRENOJ-GWMXKSKGSA-N 0 3 232.302 3.099 20 30 BGEDHN N#CC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334525082 353897353 /nfs/dbraw/zinc/89/73/53/353897353.db2.gz WTROFINCISJMFH-HOTGVXAUSA-N 0 3 240.350 3.026 20 30 BGEDHN CC(C)(C)C1CC(N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000334541470 353975561 /nfs/dbraw/zinc/97/55/61/353975561.db2.gz QPPNPDIYLYHKFM-IKWCTNDRSA-N 0 3 220.360 3.093 20 30 BGEDHN CC(C)(C)C1CC(N[C@H]2CCC[C@H]2C#N)C1 ZINC000334541472 353975534 /nfs/dbraw/zinc/97/55/34/353975534.db2.gz QPPNPDIYLYHKFM-WTIISPKJSA-N 0 3 220.360 3.093 20 30 BGEDHN CC(C)(C)C1CC(N[C@H]2CCC[C@@H]2C#N)C1 ZINC000334541473 353975779 /nfs/dbraw/zinc/97/57/79/353975779.db2.gz QPPNPDIYLYHKFM-XVSSEFHLSA-N 0 3 220.360 3.093 20 30 BGEDHN CC(C)(C)C1CC(N[C@@H]2CCC[C@H]2C#N)C1 ZINC000334541474 353975629 /nfs/dbraw/zinc/97/56/29/353975629.db2.gz QPPNPDIYLYHKFM-YWPUVAFDSA-N 0 3 220.360 3.093 20 30 BGEDHN N#CC1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000334561047 350679555 /nfs/dbraw/zinc/67/95/55/350679555.db2.gz XKGUVZLGHHPMIZ-GFCCVEGCSA-N 0 3 242.313 3.047 20 30 BGEDHN N#CC1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000334561052 385973285 /nfs/dbraw/zinc/97/32/85/385973285.db2.gz XKGUVZLGHHPMIZ-LBPRGKRZSA-N 0 3 242.313 3.047 20 30 BGEDHN N#CC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000334562112 354117384 /nfs/dbraw/zinc/11/73/84/354117384.db2.gz UUAVVSPHORYBMN-UHFFFAOYSA-N 0 3 240.350 3.300 20 30 BGEDHN N#CC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000334565295 354085426 /nfs/dbraw/zinc/08/54/26/354085426.db2.gz XJLXCSALRUSNDQ-UHFFFAOYSA-N 0 3 245.370 3.086 20 30 BGEDHN C=CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000334635940 398271269 /nfs/dbraw/zinc/27/12/69/398271269.db2.gz JAWUJDMGLAQHAT-HNNXBMFYSA-N 0 3 243.350 3.026 20 30 BGEDHN C=CCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000334635942 398271273 /nfs/dbraw/zinc/27/12/73/398271273.db2.gz JAWUJDMGLAQHAT-OAHLLOKOSA-N 0 3 243.350 3.026 20 30 BGEDHN C[C@H](N[C@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649515 133724117 /nfs/dbraw/zinc/72/41/17/133724117.db2.gz INCGAHYYMBDWEF-AAEUAGOBSA-N 0 3 244.313 3.457 20 30 BGEDHN C[C@@H](N[C@@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649518 343897705 /nfs/dbraw/zinc/89/77/05/343897705.db2.gz INCGAHYYMBDWEF-DGCLKSJQSA-N 0 3 244.313 3.457 20 30 BGEDHN C[C@H](N[C@@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649520 343897912 /nfs/dbraw/zinc/89/79/12/343897912.db2.gz INCGAHYYMBDWEF-WCQYABFASA-N 0 3 244.313 3.457 20 30 BGEDHN C[C@@H](N[C@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649523 343896101 /nfs/dbraw/zinc/89/61/01/343896101.db2.gz INCGAHYYMBDWEF-YPMHNXCESA-N 0 3 244.313 3.457 20 30 BGEDHN Cc1cccc(CCN2CCC(C)(C#N)CC2)c1 ZINC000334656109 354449975 /nfs/dbraw/zinc/44/99/75/354449975.db2.gz UBXSKEUEOXBLTD-UHFFFAOYSA-N 0 3 242.366 3.163 20 30 BGEDHN Cc1csc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000334677982 354421998 /nfs/dbraw/zinc/42/19/98/354421998.db2.gz BFSQMTMGCURPMM-NEPJUHHUSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1csc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000334677983 354422009 /nfs/dbraw/zinc/42/20/09/354422009.db2.gz BFSQMTMGCURPMM-NWDGAFQWSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1csc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000334677984 354421702 /nfs/dbraw/zinc/42/17/02/354421702.db2.gz BFSQMTMGCURPMM-RYUDHWBXSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1csc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000334677985 354421978 /nfs/dbraw/zinc/42/19/78/354421978.db2.gz BFSQMTMGCURPMM-VXGBXAGGSA-N 0 3 234.368 3.229 20 30 BGEDHN CC1(C)Cc2ccsc2CN1CCCC#N ZINC000334741337 136232246 /nfs/dbraw/zinc/23/22/46/136232246.db2.gz SIRUGMYZLRNSPV-UHFFFAOYSA-N 0 3 234.368 3.189 20 30 BGEDHN N#CC1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000334788967 386850940 /nfs/dbraw/zinc/85/09/40/386850940.db2.gz VLKSEZHKIYUOKX-UHFFFAOYSA-N 0 3 242.313 3.047 20 30 BGEDHN CC1(C#N)CCN(CC2=CCCCC2)CC1 ZINC000334796513 354550849 /nfs/dbraw/zinc/55/08/49/354550849.db2.gz BUUAOXMUQDZXEW-UHFFFAOYSA-N 0 3 218.344 3.112 20 30 BGEDHN CN(CC1(C#N)CCC1)C1CCC(F)(F)CC1 ZINC000334799576 354554821 /nfs/dbraw/zinc/55/48/21/354554821.db2.gz OODCFZITNIOFPL-UHFFFAOYSA-N 0 3 242.313 3.190 20 30 BGEDHN CC(C)(C)C1=CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334814646 354572343 /nfs/dbraw/zinc/57/23/43/354572343.db2.gz QURZJONRLLECAB-GXTWGEPZSA-N 0 3 232.371 3.357 20 30 BGEDHN CC(C)(C)C1=CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334814648 354572129 /nfs/dbraw/zinc/57/21/29/354572129.db2.gz QURZJONRLLECAB-JSGCOSHPSA-N 0 3 232.371 3.357 20 30 BGEDHN CC(C)(C)C1=CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334814649 354571872 /nfs/dbraw/zinc/57/18/72/354571872.db2.gz QURZJONRLLECAB-OCCSQVGLSA-N 0 3 232.371 3.357 20 30 BGEDHN CC(C)(C)C1=CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334814650 354571895 /nfs/dbraw/zinc/57/18/95/354571895.db2.gz QURZJONRLLECAB-TZMCWYRMSA-N 0 3 232.371 3.357 20 30 BGEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nccs1 ZINC000334835309 386875838 /nfs/dbraw/zinc/87/58/38/386875838.db2.gz MDMJETCVKXJGAH-ZBOXLXRLSA-N 0 3 249.383 3.266 20 30 BGEDHN Cc1cc(C)nc(NCc2ccc(C#N)cc2)c1 ZINC000334885506 383974714 /nfs/dbraw/zinc/97/47/14/383974714.db2.gz CLYOKHHTDXADOP-UHFFFAOYSA-N 0 3 237.306 3.182 20 30 BGEDHN Cc1cc(F)ccc1CN1CCC(CC#N)CC1 ZINC000334889916 384753146 /nfs/dbraw/zinc/75/31/46/384753146.db2.gz FVUQCVWTCNHXQW-UHFFFAOYSA-N 0 3 246.329 3.260 20 30 BGEDHN CC(C)(C#N)CNC1CC2(C1)CCCCC2 ZINC000334981725 387067824 /nfs/dbraw/zinc/06/78/24/387067824.db2.gz IDEAGILVNXDBRL-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CCC23CCC3)s1 ZINC000335022863 384009673 /nfs/dbraw/zinc/00/96/73/384009673.db2.gz ZPTYHBCCIHVAKD-GFCCVEGCSA-N 0 3 232.352 3.042 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CCC23CCC3)s1 ZINC000335022864 384010731 /nfs/dbraw/zinc/01/07/31/384010731.db2.gz ZPTYHBCCIHVAKD-LBPRGKRZSA-N 0 3 232.352 3.042 20 30 BGEDHN C=C(C)CN1CCC(c2ccc(C)nc2)CC1 ZINC000335132583 133795439 /nfs/dbraw/zinc/79/54/39/133795439.db2.gz KNHNKRIPDUTVTE-UHFFFAOYSA-N 0 3 230.355 3.146 20 30 BGEDHN Cc1cscc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000335166092 345149100 /nfs/dbraw/zinc/14/91/00/345149100.db2.gz RXQJUFRAVHDUNJ-AAEUAGOBSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1cscc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000335166094 345149456 /nfs/dbraw/zinc/14/94/56/345149456.db2.gz RXQJUFRAVHDUNJ-DGCLKSJQSA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1cscc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000335166095 345149308 /nfs/dbraw/zinc/14/93/08/345149308.db2.gz RXQJUFRAVHDUNJ-WCQYABFASA-N 0 3 234.368 3.229 20 30 BGEDHN Cc1cscc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000335166097 345149618 /nfs/dbraw/zinc/14/96/18/345149618.db2.gz RXQJUFRAVHDUNJ-YPMHNXCESA-N 0 3 234.368 3.229 20 30 BGEDHN CC1(C)CCC(NCc2nc(C#N)cs2)CC1 ZINC000335179103 384204209 /nfs/dbraw/zinc/20/42/09/384204209.db2.gz OVLAXBXWBDBUGS-UHFFFAOYSA-N 0 3 249.383 3.073 20 30 BGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000335283495 136001300 /nfs/dbraw/zinc/00/13/00/136001300.db2.gz KGNNWOGDHJNIIB-DZGCQCFKSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1C ZINC000335283545 136001077 /nfs/dbraw/zinc/00/10/77/136001077.db2.gz MWWVERPHMCOHRH-DZGCQCFKSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000335283588 136001079 /nfs/dbraw/zinc/00/10/79/136001079.db2.gz ORYYMNUCLBVYEK-DZGCQCFKSA-N 0 3 228.339 3.085 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2cccc(Cl)c2)C1 ZINC000335283909 345180400 /nfs/dbraw/zinc/18/04/00/345180400.db2.gz UXMQBSRQZKEJKI-GXFFZTMASA-N 0 3 234.730 3.122 20 30 BGEDHN Cc1ccc(C)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000335283994 136001485 /nfs/dbraw/zinc/00/14/85/136001485.db2.gz ZPXNLHJVIHZFLR-DZGCQCFKSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cccc(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000335284402 136002218 /nfs/dbraw/zinc/00/22/18/136002218.db2.gz AZONEQKDRDVTMJ-UONOGXRCSA-N 0 3 228.339 3.085 20 30 BGEDHN N#C[C@@H]1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC000335284940 136002017 /nfs/dbraw/zinc/00/20/17/136002017.db2.gz OADFKBHESSNCAU-YPMHNXCESA-N 0 3 240.306 3.215 20 30 BGEDHN N#C[C@@H]1CC[C@H](NCc2coc3ccccc23)C1 ZINC000335286026 136002737 /nfs/dbraw/zinc/00/27/37/136002737.db2.gz MIXSFYYCMPRFGM-YPMHNXCESA-N 0 3 240.306 3.215 20 30 BGEDHN 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C=C[C@@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000336215979 134136785 /nfs/dbraw/zinc/13/67/85/134136785.db2.gz STSXWBPLXYPAOD-CYBMUJFWSA-N 0 3 242.322 3.368 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000336215980 534695070 /nfs/dbraw/zinc/69/50/70/534695070.db2.gz STSXWBPLXYPAOD-ZDUSSCGKSA-N 0 3 242.322 3.368 20 30 BGEDHN Cc1csc(CNC2CCC(C)(C#N)CC2)n1 ZINC000336219783 135069424 /nfs/dbraw/zinc/06/94/24/135069424.db2.gz UWKADWHTWWQQOU-UHFFFAOYSA-N 0 3 249.383 3.014 20 30 BGEDHN N#CC1CCN(Cc2cccc3ccoc32)CC1 ZINC000336226263 134139871 /nfs/dbraw/zinc/13/98/71/134139871.db2.gz QMDQBQCXHSGSPD-UHFFFAOYSA-N 0 3 240.306 3.168 20 30 BGEDHN Cc1cccc(CN2CCC(CC#N)CC2)c1F ZINC000336228896 134139909 /nfs/dbraw/zinc/13/99/09/134139909.db2.gz KTQOIAVKTFSIMJ-UHFFFAOYSA-N 0 3 246.329 3.260 20 30 BGEDHN Cc1cc(CN2CCC(CC#N)CC2)cs1 ZINC000336229100 385012440 /nfs/dbraw/zinc/01/24/40/385012440.db2.gz UNRLEWWLANFEQM-UHFFFAOYSA-N 0 3 234.368 3.182 20 30 BGEDHN CC(C#N)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000336254557 384871645 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/nfs/dbraw/zinc/80/46/19/342804619.db2.gz YXTYXQLRYOQDTI-CYBMUJFWSA-N 0 3 248.370 3.109 20 30 BGEDHN CC(C#N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000336355635 134144659 /nfs/dbraw/zinc/14/46/59/134144659.db2.gz YXTYXQLRYOQDTI-ZDUSSCGKSA-N 0 3 248.370 3.109 20 30 BGEDHN Cc1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000336378681 134145560 /nfs/dbraw/zinc/14/55/60/134145560.db2.gz NVWSHIXFBYGWQX-DOMZBBRYSA-N 0 3 226.323 3.003 20 30 BGEDHN Cc1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000336378682 134145511 /nfs/dbraw/zinc/14/55/11/134145511.db2.gz NVWSHIXFBYGWQX-IUODEOHRSA-N 0 3 226.323 3.003 20 30 BGEDHN Cc1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000336378683 134145381 /nfs/dbraw/zinc/14/53/81/134145381.db2.gz NVWSHIXFBYGWQX-SWLSCSKDSA-N 0 3 226.323 3.003 20 30 BGEDHN Cc1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)C2 ZINC000336378684 134145378 /nfs/dbraw/zinc/14/53/78/134145378.db2.gz NVWSHIXFBYGWQX-WFASDCNBSA-N 0 3 226.323 3.003 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000336487597 176124235 /nfs/dbraw/zinc/12/42/35/176124235.db2.gz WKIUKOAINJYMIC-GHMZBOCLSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000336487598 176144481 /nfs/dbraw/zinc/14/44/81/176144481.db2.gz WKIUKOAINJYMIC-MNOVXSKESA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H]1CCC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000336487599 177137252 /nfs/dbraw/zinc/13/72/52/177137252.db2.gz WKIUKOAINJYMIC-QWRGUYRKSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000336487600 177122762 /nfs/dbraw/zinc/12/27/62/177122762.db2.gz WKIUKOAINJYMIC-WDEREUQCSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H]1[C@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000336499370 134148463 /nfs/dbraw/zinc/14/84/63/134148463.db2.gz OKXUJXZAWZUNIC-DZGCQCFKSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000336499371 134148337 /nfs/dbraw/zinc/14/83/37/134148337.db2.gz OKXUJXZAWZUNIC-HIFRSBDPSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@@H]1[C@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000336499372 134148575 /nfs/dbraw/zinc/14/85/75/134148575.db2.gz OKXUJXZAWZUNIC-UKRRQHHQSA-N 0 3 240.350 3.168 20 30 BGEDHN C[C@H]1[C@@H](c2ccccc2)CCN1CC1(C#N)CC1 ZINC000336499373 134148431 /nfs/dbraw/zinc/14/84/31/134148431.db2.gz OKXUJXZAWZUNIC-ZFWWWQNUSA-N 0 3 240.350 3.168 20 30 BGEDHN N#C[C@H]1CC[C@H](NCc2coc3ccccc23)C1 ZINC000336514523 134148949 /nfs/dbraw/zinc/14/89/49/134148949.db2.gz MIXSFYYCMPRFGM-AAEUAGOBSA-N 0 3 240.306 3.215 20 30 BGEDHN N#C[C@@H]1CC[C@@H](NCc2coc3ccccc23)C1 ZINC000336514529 134148962 /nfs/dbraw/zinc/14/89/62/134148962.db2.gz MIXSFYYCMPRFGM-DGCLKSJQSA-N 0 3 240.306 3.215 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2coc3ccccc23)C1 ZINC000336514531 134148829 /nfs/dbraw/zinc/14/88/29/134148829.db2.gz MIXSFYYCMPRFGM-WCQYABFASA-N 0 3 240.306 3.215 20 30 BGEDHN C=C(CC)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000336533102 534397550 /nfs/dbraw/zinc/39/75/50/534397550.db2.gz COEACEVFRGCSJB-INIZCTEOSA-N 0 3 243.350 3.084 20 30 BGEDHN C=C(CC)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000336533104 534399224 /nfs/dbraw/zinc/39/92/24/534399224.db2.gz COEACEVFRGCSJB-MRXNPFEDSA-N 0 3 243.350 3.084 20 30 BGEDHN N#Cc1csc(CN2CCCC23CCC3)c1 ZINC000336569225 188033644 /nfs/dbraw/zinc/03/36/44/188033644.db2.gz APBJUSYSKRADRE-UHFFFAOYSA-N 0 3 232.352 3.138 20 30 BGEDHN C=CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000336623646 534532913 /nfs/dbraw/zinc/53/29/13/534532913.db2.gz NPPQWVFGJOCIHF-GFCCVEGCSA-N 0 3 216.328 3.041 20 30 BGEDHN C=CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000336623647 534531787 /nfs/dbraw/zinc/53/17/87/534531787.db2.gz NPPQWVFGJOCIHF-LBPRGKRZSA-N 0 3 216.328 3.041 20 30 BGEDHN C=C(C)CN(CC)[C@H](C)c1cccnc1 ZINC000336643799 350411512 /nfs/dbraw/zinc/41/15/12/350411512.db2.gz DSLPXRIIOXKBLV-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CN(CC)[C@@H](C)c1cccnc1 ZINC000336643800 350411329 /nfs/dbraw/zinc/41/13/29/350411329.db2.gz DSLPXRIIOXKBLV-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN CCC(CC)CN(C[C@H](C)C#N)C1CC1 ZINC000336644624 350424091 /nfs/dbraw/zinc/42/40/91/350424091.db2.gz GURMUPXUFDMVRR-LLVKDONJSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC(CC)CN(C[C@@H](C)C#N)C1CC1 ZINC000336644630 350424029 /nfs/dbraw/zinc/42/40/29/350424029.db2.gz GURMUPXUFDMVRR-NSHDSACASA-N 0 3 208.349 3.047 20 30 BGEDHN C=CCCCNCc1sccc1Cl ZINC000336645118 350554410 /nfs/dbraw/zinc/55/44/10/350554410.db2.gz VLYXOPLMQVEZKQ-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN C=C(C)CN(C)[C@H]1C[C@H]1c1ccccc1 ZINC000336645893 350415625 /nfs/dbraw/zinc/41/56/25/350415625.db2.gz JGJUKUTYOCHXGV-KBPBESRZSA-N 0 3 201.313 3.050 20 30 BGEDHN C=C(C)CN(C)[C@H]1C[C@@H]1c1ccccc1 ZINC000336645899 350416129 /nfs/dbraw/zinc/41/61/29/350416129.db2.gz JGJUKUTYOCHXGV-KGLIPLIRSA-N 0 3 201.313 3.050 20 30 BGEDHN C=C(C)CN(C)[C@@H]1C[C@H]1c1ccccc1 ZINC000336645900 350415801 /nfs/dbraw/zinc/41/58/01/350415801.db2.gz JGJUKUTYOCHXGV-UONOGXRCSA-N 0 3 201.313 3.050 20 30 BGEDHN C=C(C)CN(C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000336645901 350416101 /nfs/dbraw/zinc/41/61/01/350416101.db2.gz JGJUKUTYOCHXGV-ZIAGYGMSSA-N 0 3 201.313 3.050 20 30 BGEDHN C=C(C)CNCc1ccc(SC)s1 ZINC000336646588 386638798 /nfs/dbraw/zinc/63/87/98/386638798.db2.gz CQPFTFPZVJRFSV-UHFFFAOYSA-N 0 3 213.371 3.136 20 30 BGEDHN N#CCCCCNCc1ccsc1Cl ZINC000336647529 386660465 /nfs/dbraw/zinc/66/04/65/386660465.db2.gz FNLIALCZYGOMBK-UHFFFAOYSA-N 0 3 228.748 3.185 20 30 BGEDHN C=CCNCc1cscc1C(F)(F)F ZINC000336649231 385591367 /nfs/dbraw/zinc/59/13/67/385591367.db2.gz HOVXZHCDSGDSOS-UHFFFAOYSA-N 0 3 221.247 3.043 20 30 BGEDHN CCN(CCCC(C)(C)C)C[C@H](C)C#N ZINC000336651260 385616775 /nfs/dbraw/zinc/61/67/75/385616775.db2.gz UXJLCDJAUSESAQ-GFCCVEGCSA-N 0 3 210.365 3.294 20 30 BGEDHN CCN(CCCC(C)(C)C)C[C@@H](C)C#N ZINC000336651265 385617358 /nfs/dbraw/zinc/61/73/58/385617358.db2.gz UXJLCDJAUSESAQ-LBPRGKRZSA-N 0 3 210.365 3.294 20 30 BGEDHN C=CCCCNCc1ccsc1Cl ZINC000336651928 385636661 /nfs/dbraw/zinc/63/66/61/385636661.db2.gz KEPCZJFYCVZFRC-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN CC(C)(C)C(C)(C)NCc1ccc(C#N)o1 ZINC000336653082 384245467 /nfs/dbraw/zinc/24/54/67/384245467.db2.gz FYGFBMQUPRNOOO-UHFFFAOYSA-N 0 3 220.316 3.066 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H](C)C1CCCCC1 ZINC000336653777 385717404 /nfs/dbraw/zinc/71/74/04/385717404.db2.gz GKAKERVCVXYVSC-CHWSQXEVSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@H](CN(C)[C@@H](C)CC#N)C1CCCCC1 ZINC000336653778 385716426 /nfs/dbraw/zinc/71/64/26/385716426.db2.gz GKAKERVCVXYVSC-OLZOCXBDSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CN(C)[C@H](C)CC#N)C1CCCCC1 ZINC000336653779 385716570 /nfs/dbraw/zinc/71/65/70/385716570.db2.gz GKAKERVCVXYVSC-QWHCGFSZSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CN(C)[C@@H](C)CC#N)C1CCCCC1 ZINC000336653780 385716818 /nfs/dbraw/zinc/71/68/18/385716818.db2.gz GKAKERVCVXYVSC-STQMWFEESA-N 0 3 222.376 3.437 20 30 BGEDHN N#CCCNC1CCC2(CCCCC2)CC1 ZINC000336658188 388075688 /nfs/dbraw/zinc/07/56/88/388075688.db2.gz BGNGNABGMWIPMT-UHFFFAOYSA-N 0 3 220.360 3.383 20 30 BGEDHN CCN(CCC#N)C[C@@H](C)C1CCCCC1 ZINC000336659769 388086007 /nfs/dbraw/zinc/08/60/07/388086007.db2.gz PZMIKGZHIHTGBQ-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN CCN(CCC#N)C[C@H](C)C1CCCCC1 ZINC000336659770 384687882 /nfs/dbraw/zinc/68/78/82/384687882.db2.gz PZMIKGZHIHTGBQ-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCC(C)(C)CNCc1ncc(Cl)s1 ZINC000336660271 388089651 /nfs/dbraw/zinc/08/96/51/388089651.db2.gz RLWSQFSDHIKPFZ-UHFFFAOYSA-N 0 3 244.791 3.488 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000336661397 388103149 /nfs/dbraw/zinc/10/31/49/388103149.db2.gz SOQXJQBIHIHZAD-UHFFFAOYSA-N 0 3 237.318 3.223 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(SC)s1 ZINC000336666170 386777007 /nfs/dbraw/zinc/77/70/07/386777007.db2.gz YHEPNCNPVJFFBD-MRVPVSSYSA-N 0 3 213.371 3.134 20 30 BGEDHN C=C[C@H](C)NCc1ccc(SC)s1 ZINC000336666175 192069412 /nfs/dbraw/zinc/06/94/12/192069412.db2.gz YHEPNCNPVJFFBD-QMMMGPOBSA-N 0 3 213.371 3.134 20 30 BGEDHN C=CCSCCNCc1ccsc1Cl ZINC000336667387 386781859 /nfs/dbraw/zinc/78/18/59/386781859.db2.gz WJKCNUQUYVYRFO-UHFFFAOYSA-N 0 3 247.816 3.410 20 30 BGEDHN C=CCCC[C@@H](C)SCCN(C)C ZINC000336668111 386789421 /nfs/dbraw/zinc/78/94/21/386789421.db2.gz ZPQAZCJRPUDLES-LLVKDONJSA-N 0 3 201.379 3.026 20 30 BGEDHN C=CCCC[C@H](C)SCCN(C)C ZINC000336668112 386789242 /nfs/dbraw/zinc/78/92/42/386789242.db2.gz ZPQAZCJRPUDLES-NSHDSACASA-N 0 3 201.379 3.026 20 30 BGEDHN C=CC[C@@H](CC)NCc1ncc(Cl)s1 ZINC000336669183 386798714 /nfs/dbraw/zinc/79/87/14/386798714.db2.gz XJLSVCWCILSULR-MRVPVSSYSA-N 0 3 230.764 3.241 20 30 BGEDHN C=CC[C@H](CC)NCc1ncc(Cl)s1 ZINC000336669184 386799191 /nfs/dbraw/zinc/79/91/91/386799191.db2.gz XJLSVCWCILSULR-QMMMGPOBSA-N 0 3 230.764 3.241 20 30 BGEDHN C[C@@H]1c2ccccc2CN1CCCCC#N ZINC000336671189 350435105 /nfs/dbraw/zinc/43/51/05/350435105.db2.gz JGSDFRDORBYGMU-GFCCVEGCSA-N 0 3 214.312 3.257 20 30 BGEDHN C[C@H]1c2ccccc2CN1CCCCC#N ZINC000336671198 350435011 /nfs/dbraw/zinc/43/50/11/350435011.db2.gz JGSDFRDORBYGMU-LBPRGKRZSA-N 0 3 214.312 3.257 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336672262 384250897 /nfs/dbraw/zinc/25/08/97/384250897.db2.gz OCUPZCZDBWACTC-GHMZBOCLSA-N 0 3 240.416 3.046 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000336672270 384251162 /nfs/dbraw/zinc/25/11/62/384251162.db2.gz OCUPZCZDBWACTC-MNOVXSKESA-N 0 3 240.416 3.046 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000336672271 384252096 /nfs/dbraw/zinc/25/20/96/384252096.db2.gz OCUPZCZDBWACTC-QWRGUYRKSA-N 0 3 240.416 3.046 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336672272 384251009 /nfs/dbraw/zinc/25/10/09/384251009.db2.gz OCUPZCZDBWACTC-WDEREUQCSA-N 0 3 240.416 3.046 20 30 BGEDHN C[C@H](C#N)CN(C)CC1CCC(C)(C)CC1 ZINC000336672449 386823533 /nfs/dbraw/zinc/82/35/33/386823533.db2.gz SRXOGOLWXTTZPJ-GFCCVEGCSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](C#N)CN(C)CC1CCC(C)(C)CC1 ZINC000336672450 386824458 /nfs/dbraw/zinc/82/44/58/386824458.db2.gz SRXOGOLWXTTZPJ-LBPRGKRZSA-N 0 3 222.376 3.294 20 30 BGEDHN CC#CCCNCc1cscc1C(F)(F)F ZINC000336677723 350887802 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3.133 20 30 BGEDHN C=CCN[C@@H](C)c1ccc2ncsc2c1 ZINC000336756850 136220561 /nfs/dbraw/zinc/22/05/61/136220561.db2.gz JVJRMDARVRZRSH-VIFPVBQESA-N 0 3 218.325 3.133 20 30 BGEDHN C=CCCN[C@H](COC)c1cccc(Cl)c1 ZINC000336757566 136275555 /nfs/dbraw/zinc/27/55/55/136275555.db2.gz HVTHTYIONYPLET-CYBMUJFWSA-N 0 3 239.746 3.193 20 30 BGEDHN C=CCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000336757567 136275472 /nfs/dbraw/zinc/27/54/72/136275472.db2.gz HVTHTYIONYPLET-ZDUSSCGKSA-N 0 3 239.746 3.193 20 30 BGEDHN C=C[C@H](C)NCc1ccc2occc2c1 ZINC000336757718 534666053 /nfs/dbraw/zinc/66/60/53/534666053.db2.gz KESGLRMXCBRNSA-JTQLQIEISA-N 0 3 201.269 3.097 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2occc2c1 ZINC000336757719 534507460 /nfs/dbraw/zinc/50/74/60/534507460.db2.gz KESGLRMXCBRNSA-SNVBAGLBSA-N 0 3 201.269 3.097 20 30 BGEDHN C=CCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000336758542 353167572 /nfs/dbraw/zinc/16/75/72/353167572.db2.gz IESQOFWUXDVJBC-GWCFXTLKSA-N 0 3 239.746 3.192 20 30 BGEDHN C=CCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000336758544 353167458 /nfs/dbraw/zinc/16/74/58/353167458.db2.gz IESQOFWUXDVJBC-GXFFZTMASA-N 0 3 239.746 3.192 20 30 BGEDHN C=CCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000336758546 353167566 /nfs/dbraw/zinc/16/75/66/353167566.db2.gz IESQOFWUXDVJBC-MFKMUULPSA-N 0 3 239.746 3.192 20 30 BGEDHN C=CCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000336758547 353165840 /nfs/dbraw/zinc/16/58/40/353165840.db2.gz IESQOFWUXDVJBC-ZWNOBZJWSA-N 0 3 239.746 3.192 20 30 BGEDHN CCc1ccc([C@H](C)NCCCC#N)s1 ZINC000336759618 386667771 /nfs/dbraw/zinc/66/77/71/386667771.db2.gz KWDHKLCVIOSXNA-JTQLQIEISA-N 0 3 222.357 3.265 20 30 BGEDHN CCc1ccc([C@@H](C)NCCCC#N)s1 ZINC000336759619 386666787 /nfs/dbraw/zinc/66/67/87/386666787.db2.gz KWDHKLCVIOSXNA-SNVBAGLBSA-N 0 3 222.357 3.265 20 30 BGEDHN C=CC[C@H](C)NCc1nc(CCC)cs1 ZINC000336761663 353175017 /nfs/dbraw/zinc/17/50/17/353175017.db2.gz MZHGAYHCXQJNPF-JTQLQIEISA-N 0 3 224.373 3.150 20 30 BGEDHN C=CC[C@@H](C)NCc1nc(CCC)cs1 ZINC000336761664 353175252 /nfs/dbraw/zinc/17/52/52/353175252.db2.gz MZHGAYHCXQJNPF-SNVBAGLBSA-N 0 3 224.373 3.150 20 30 BGEDHN CCC(CC)(CC)CNCC(C)(C)C#N ZINC000336763194 342831145 /nfs/dbraw/zinc/83/11/45/342831145.db2.gz OPRIWCZTLYUWQX-UHFFFAOYSA-N 0 3 210.365 3.342 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cccc(O)c1 ZINC000336764306 353252605 /nfs/dbraw/zinc/25/26/05/353252605.db2.gz QBTFZHVOODCCFT-NSHDSACASA-N 0 3 205.301 3.009 20 30 BGEDHN C=CCCCNCc1nc(CCC)cs1 ZINC000336764407 353255121 /nfs/dbraw/zinc/25/51/21/353255121.db2.gz PVRUBEBHKFLJCT-UHFFFAOYSA-N 0 3 224.373 3.151 20 30 BGEDHN CCc1cccc(Cl)c1CNCCCC#N ZINC000336767256 353272289 /nfs/dbraw/zinc/27/22/89/353272289.db2.gz PQFUKAXSEGZABK-UHFFFAOYSA-N 0 3 236.746 3.296 20 30 BGEDHN C[C@H](NCCC#N)[C@@H](C)C1CCCCC1 ZINC000336769192 353284365 /nfs/dbraw/zinc/28/43/65/353284365.db2.gz VITFJCZTMKMNBD-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NCCC#N)[C@H](C)C1CCCCC1 ZINC000336769193 353284253 /nfs/dbraw/zinc/28/42/53/353284253.db2.gz VITFJCZTMKMNBD-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H]([C@H](C)NCCC#N)C1CCCCC1 ZINC000336769195 353284273 /nfs/dbraw/zinc/28/42/73/353284273.db2.gz VITFJCZTMKMNBD-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NCCC#N)[C@@H](C)C1CCCCC1 ZINC000336769196 353284425 /nfs/dbraw/zinc/28/44/25/353284425.db2.gz VITFJCZTMKMNBD-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CCC1CCCCC1)NCCC#N ZINC000336773093 386107293 /nfs/dbraw/zinc/10/72/93/386107293.db2.gz YQXRLZCKKVOBAX-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN C[C@@H](CCC1CCCCC1)NCCC#N ZINC000336773094 386106388 /nfs/dbraw/zinc/10/63/88/386106388.db2.gz YQXRLZCKKVOBAX-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccc(CC)o1 ZINC000336773686 398233689 /nfs/dbraw/zinc/23/36/89/398233689.db2.gz ZBCIPVALLOLUNX-LLVKDONJSA-N 0 3 207.317 3.286 20 30 BGEDHN C=CC[C@H](CC)NCc1ccc(CC)o1 ZINC000336773687 398233749 /nfs/dbraw/zinc/23/37/49/398233749.db2.gz ZBCIPVALLOLUNX-NSHDSACASA-N 0 3 207.317 3.286 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccncc1CC ZINC000336778866 353528688 /nfs/dbraw/zinc/52/86/88/353528688.db2.gz MNSGCCMVHLLLTA-GFCCVEGCSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccncc1CC ZINC000336778867 353528763 /nfs/dbraw/zinc/52/87/63/353528763.db2.gz MNSGCCMVHLLLTA-LBPRGKRZSA-N 0 3 218.344 3.261 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ncccc1CC ZINC000336778949 353530096 /nfs/dbraw/zinc/53/00/96/353530096.db2.gz MTNIVICMIOFNNO-NEPJUHHUSA-N 0 3 218.344 3.259 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ncccc1CC ZINC000336778950 353530020 /nfs/dbraw/zinc/53/00/20/353530020.db2.gz MTNIVICMIOFNNO-NWDGAFQWSA-N 0 3 218.344 3.259 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ncccc1CC ZINC000336778951 353530181 /nfs/dbraw/zinc/53/01/81/353530181.db2.gz MTNIVICMIOFNNO-RYUDHWBXSA-N 0 3 218.344 3.259 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ncccc1CC ZINC000336778952 353530109 /nfs/dbraw/zinc/53/01/09/353530109.db2.gz MTNIVICMIOFNNO-VXGBXAGGSA-N 0 3 218.344 3.259 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000336782960 353732475 /nfs/dbraw/zinc/73/24/75/353732475.db2.gz ZCMVYOYVBOAVPG-GFCCVEGCSA-N 0 3 221.348 3.081 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000336782961 353732602 /nfs/dbraw/zinc/73/26/02/353732602.db2.gz ZCMVYOYVBOAVPG-LBPRGKRZSA-N 0 3 221.348 3.081 20 30 BGEDHN CCc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000336783253 353744087 /nfs/dbraw/zinc/74/40/87/353744087.db2.gz ZXDVDDPXCMQOBF-GHMZBOCLSA-N 0 3 234.368 3.092 20 30 BGEDHN CCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)s1 ZINC000336783254 353743865 /nfs/dbraw/zinc/74/38/65/353743865.db2.gz ZXDVDDPXCMQOBF-MNOVXSKESA-N 0 3 234.368 3.092 20 30 BGEDHN CCc1ccc(CN[C@H]2CC[C@H](C#N)C2)s1 ZINC000336783255 353744890 /nfs/dbraw/zinc/74/48/90/353744890.db2.gz ZXDVDDPXCMQOBF-QWRGUYRKSA-N 0 3 234.368 3.092 20 30 BGEDHN CCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000336783256 353744417 /nfs/dbraw/zinc/74/44/17/353744417.db2.gz ZXDVDDPXCMQOBF-WDEREUQCSA-N 0 3 234.368 3.092 20 30 BGEDHN CC(C)(C#N)CCCCN(CCC#N)CC1CC1 ZINC000336784836 350512533 /nfs/dbraw/zinc/51/25/33/350512533.db2.gz YLPPQTANSBMHIJ-UHFFFAOYSA-N 0 3 247.386 3.332 20 30 BGEDHN CCN(CCC1CC1)Cc1ccc(C#N)cc1F ZINC000336784869 384276164 /nfs/dbraw/zinc/27/61/64/384276164.db2.gz ZKAGXSLXWYJEIF-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN C=C(C)COCCN[C@H]1C[C@H](C)c2ccccc21 ZINC000336788209 387041745 /nfs/dbraw/zinc/04/17/45/387041745.db2.gz GNWYZLPHKLAPTO-BBRMVZONSA-N 0 3 245.366 3.417 20 30 BGEDHN C=C(C)COCCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000336788210 411292316 /nfs/dbraw/zinc/29/23/16/411292316.db2.gz GNWYZLPHKLAPTO-CJNGLKHVSA-N 0 3 245.366 3.417 20 30 BGEDHN C=C(C)COCCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000336788211 387042799 /nfs/dbraw/zinc/04/27/99/387042799.db2.gz GNWYZLPHKLAPTO-CZUORRHYSA-N 0 3 245.366 3.417 20 30 BGEDHN C=C(C)COCCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000336788212 387043832 /nfs/dbraw/zinc/04/38/32/387043832.db2.gz GNWYZLPHKLAPTO-XJKSGUPXSA-N 0 3 245.366 3.417 20 30 BGEDHN C[C@@H]1C[C@H](NCCC#N)C[C@@H](c2ccccc2)C1 ZINC000336791413 388009432 /nfs/dbraw/zinc/00/94/32/388009432.db2.gz NKCAGKOWMRHZIX-BPUTZDHNSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@@H]1C[C@@H](NCCC#N)C[C@@H](c2ccccc2)C1 ZINC000336791414 177375547 /nfs/dbraw/zinc/37/55/47/177375547.db2.gz NKCAGKOWMRHZIX-CWRNSKLLSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCCC#N)C1 ZINC000336791415 388008330 /nfs/dbraw/zinc/00/83/30/388008330.db2.gz NKCAGKOWMRHZIX-IMJJTQAJSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@@H]1C[C@@H](NCCC#N)C[C@H](c2ccccc2)C1 ZINC000336791416 176375032 /nfs/dbraw/zinc/37/50/32/176375032.db2.gz NKCAGKOWMRHZIX-NUEKZKHPSA-N 0 3 242.366 3.462 20 30 BGEDHN C=CCC(C)(C)CNCc1ccc(C#N)cc1F ZINC000336794333 387183425 /nfs/dbraw/zinc/18/34/25/387183425.db2.gz BHMXTMATNIRMAG-UHFFFAOYSA-N 0 3 246.329 3.389 20 30 BGEDHN C=CCC(C)(C)CNCc1cccc2c1OCO2 ZINC000336794811 387201786 /nfs/dbraw/zinc/20/17/86/387201786.db2.gz FUZRVIVIBITZMH-UHFFFAOYSA-N 0 3 247.338 3.107 20 30 BGEDHN N#Cc1ccccc1CN[C@@H]1CC2CCC1CC2 ZINC000336796112 181145815 /nfs/dbraw/zinc/14/58/15/181145815.db2.gz PQEZBTBMGNHZBD-SEEARECTSA-N 0 3 240.350 3.227 20 30 BGEDHN N#Cc1ccccc1CN[C@H]1CC2CCC1CC2 ZINC000336796113 181145385 /nfs/dbraw/zinc/14/53/85/181145385.db2.gz PQEZBTBMGNHZBD-ZUEPYMLJSA-N 0 3 240.350 3.227 20 30 BGEDHN C=CCC(C)(C)CNCc1cc(OC)cc(C)n1 ZINC000336796160 387228108 /nfs/dbraw/zinc/22/81/08/387228108.db2.gz QDDSVTHJMOOLKQ-UHFFFAOYSA-N 0 3 248.370 3.091 20 30 BGEDHN CC(C)(CCNCc1ccc(C#N)o1)C1CC1 ZINC000336888167 187231044 /nfs/dbraw/zinc/23/10/44/187231044.db2.gz JPGNCVUGTVBKFG-UHFFFAOYSA-N 0 3 232.327 3.067 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCCC12CCCC2 ZINC000336896934 388441950 /nfs/dbraw/zinc/44/19/50/388441950.db2.gz OQGXQEPEWYAFCC-CHWSQXEVSA-N 0 3 220.360 3.381 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCCC12CCCC2 ZINC000336896938 388441524 /nfs/dbraw/zinc/44/15/24/388441524.db2.gz OQGXQEPEWYAFCC-OLZOCXBDSA-N 0 3 220.360 3.381 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H]1CCCC12CCCC2 ZINC000336896940 388441985 /nfs/dbraw/zinc/44/19/85/388441985.db2.gz OQGXQEPEWYAFCC-QWHCGFSZSA-N 0 3 220.360 3.381 20 30 BGEDHN CC[C@@H](CC#N)N[C@H]1CCCC12CCCC2 ZINC000336897077 364856604 /nfs/dbraw/zinc/85/66/04/364856604.db2.gz OQGXQEPEWYAFCC-STQMWFEESA-N 0 3 220.360 3.381 20 30 BGEDHN C=C(C)CN(C)Cc1cnc2ccccc2c1 ZINC000337174119 135003128 /nfs/dbraw/zinc/00/31/28/135003128.db2.gz GXIRJUCLXAJBEN-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN CC(C)(C)CCCN(CCC#N)CC1CC1 ZINC000337177351 135003253 /nfs/dbraw/zinc/00/32/53/135003253.db2.gz JZBOHLJYIZXFSW-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CC(C)C[C@@H](C)CN(CCC#N)CC1CC1 ZINC000337194108 135004514 /nfs/dbraw/zinc/00/45/14/135004514.db2.gz VEYXPAIZIZYSSH-CYBMUJFWSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)C[C@H](C)CN(CCC#N)CC1CC1 ZINC000337194109 135003784 /nfs/dbraw/zinc/00/37/84/135003784.db2.gz VEYXPAIZIZYSSH-ZDUSSCGKSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)OC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000337332761 167258929 /nfs/dbraw/zinc/25/89/29/167258929.db2.gz IOROMOKPYHLLNY-CHWSQXEVSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000337332765 167257414 /nfs/dbraw/zinc/25/74/14/167257414.db2.gz IOROMOKPYHLLNY-OLZOCXBDSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000337332769 167267280 /nfs/dbraw/zinc/26/72/80/167267280.db2.gz IOROMOKPYHLLNY-QWHCGFSZSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000337332770 167266494 /nfs/dbraw/zinc/26/64/94/167266494.db2.gz IOROMOKPYHLLNY-STQMWFEESA-N 0 3 246.354 3.022 20 30 BGEDHN C=C(CN[C@@H](C)COC(C)C)c1ccccc1 ZINC000337333727 135012762 /nfs/dbraw/zinc/01/27/62/135012762.db2.gz KAYZNFOEDRDVDR-AWEZNQCLSA-N 0 3 233.355 3.103 20 30 BGEDHN C=C(CN[C@H](C)COC(C)C)c1ccccc1 ZINC000337333828 135013244 /nfs/dbraw/zinc/01/32/44/135013244.db2.gz KAYZNFOEDRDVDR-CQSZACIVSA-N 0 3 233.355 3.103 20 30 BGEDHN C=CCN(CCOCC(C)C)Cc1ccccc1 ZINC000337342821 135013291 /nfs/dbraw/zinc/01/32/91/135013291.db2.gz WPHKFSGUXUOWIP-UHFFFAOYSA-N 0 3 247.382 3.347 20 30 BGEDHN CC(C)[C@H](NCCCC#N)c1ccc(F)cc1 ZINC000337395606 535122244 /nfs/dbraw/zinc/12/22/44/535122244.db2.gz IUYNWCCVYDMWAX-AWEZNQCLSA-N 0 3 234.318 3.416 20 30 BGEDHN CC(C)[C@@H](NCCCC#N)c1ccc(F)cc1 ZINC000337395607 135015191 /nfs/dbraw/zinc/01/51/91/135015191.db2.gz IUYNWCCVYDMWAX-CQSZACIVSA-N 0 3 234.318 3.416 20 30 BGEDHN C=CCN(C)CCSC1CCCCC1 ZINC000337399266 135015995 /nfs/dbraw/zinc/01/59/95/135015995.db2.gz GUGVZSLHBIXWLN-UHFFFAOYSA-N 0 3 213.390 3.170 20 30 BGEDHN C=CCCN1CCc2cc(F)cc(C)c2C1 ZINC000337403557 135016059 /nfs/dbraw/zinc/01/60/59/135016059.db2.gz LQROIMPLPCGCRD-UHFFFAOYSA-N 0 3 219.303 3.068 20 30 BGEDHN C=C(C)COCCN[C@H](C)c1cc(C)c(C)o1 ZINC000337417272 135016191 /nfs/dbraw/zinc/01/61/91/135016191.db2.gz DMTUGXRRDWILEN-GFCCVEGCSA-N 0 3 237.343 3.140 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000337417273 135015398 /nfs/dbraw/zinc/01/53/98/135015398.db2.gz DMTUGXRRDWILEN-LBPRGKRZSA-N 0 3 237.343 3.140 20 30 BGEDHN C[C@@H]1C[C@]1(NCCCC#N)c1ccc(Cl)cc1 ZINC000337419916 135015848 /nfs/dbraw/zinc/01/58/48/135015848.db2.gz AENJRYBHKXHKDE-BXUZGUMPSA-N 0 3 248.757 3.468 20 30 BGEDHN C[C@H]1C[C@@]1(NCCCC#N)c1ccc(Cl)cc1 ZINC000337419927 135015526 /nfs/dbraw/zinc/01/55/26/135015526.db2.gz AENJRYBHKXHKDE-FZMZJTMJSA-N 0 3 248.757 3.468 20 30 BGEDHN C[C@@H]1C[C@@]1(NCCCC#N)c1ccc(Cl)cc1 ZINC000337419930 135016062 /nfs/dbraw/zinc/01/60/62/135016062.db2.gz AENJRYBHKXHKDE-RISCZKNCSA-N 0 3 248.757 3.468 20 30 BGEDHN C[C@H]1C[C@]1(NCCCC#N)c1ccc(Cl)cc1 ZINC000337419934 135016015 /nfs/dbraw/zinc/01/60/15/135016015.db2.gz AENJRYBHKXHKDE-SMDDNHRTSA-N 0 3 248.757 3.468 20 30 BGEDHN Cc1cc(F)cc2c1CN(CCCCC#N)CC2 ZINC000337460974 135016627 /nfs/dbraw/zinc/01/66/27/135016627.db2.gz PHJIXVHQZAEIMU-UHFFFAOYSA-N 0 3 246.329 3.186 20 30 BGEDHN C=CCCOCCN[C@H](C)c1cc(C)c(C)o1 ZINC000337461728 534779108 /nfs/dbraw/zinc/77/91/08/534779108.db2.gz KQDHWBIEQJUAED-GFCCVEGCSA-N 0 3 237.343 3.140 20 30 BGEDHN C=CCCOCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000337461729 534778088 /nfs/dbraw/zinc/77/80/88/534778088.db2.gz KQDHWBIEQJUAED-LBPRGKRZSA-N 0 3 237.343 3.140 20 30 BGEDHN C=C(C)CN1CC[C@@H](c2ccccc2F)C1 ZINC000337490514 385686956 /nfs/dbraw/zinc/68/69/56/385686956.db2.gz DUNVSFZXJWGCMF-GFCCVEGCSA-N 0 3 219.303 3.191 20 30 BGEDHN C=C(C)CN1CC[C@H](c2ccccc2F)C1 ZINC000337490694 385687195 /nfs/dbraw/zinc/68/71/95/385687195.db2.gz DUNVSFZXJWGCMF-LBPRGKRZSA-N 0 3 219.303 3.191 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337496019 534512193 /nfs/dbraw/zinc/51/21/93/534512193.db2.gz YJWUKXUOSNXKII-NEPJUHHUSA-N 0 3 233.359 3.223 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337496021 135017798 /nfs/dbraw/zinc/01/77/98/135017798.db2.gz YJWUKXUOSNXKII-NWDGAFQWSA-N 0 3 233.359 3.223 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337496023 534669561 /nfs/dbraw/zinc/66/95/61/534669561.db2.gz YJWUKXUOSNXKII-RYUDHWBXSA-N 0 3 233.359 3.223 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337496025 534512633 /nfs/dbraw/zinc/51/26/33/534512633.db2.gz YJWUKXUOSNXKII-VXGBXAGGSA-N 0 3 233.359 3.223 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000337499021 534761747 /nfs/dbraw/zinc/76/17/47/534761747.db2.gz ZQUITEXXCKFTSD-AAEUAGOBSA-N 0 3 235.375 3.124 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000337499022 534753520 /nfs/dbraw/zinc/75/35/20/534753520.db2.gz ZQUITEXXCKFTSD-DGCLKSJQSA-N 0 3 235.375 3.124 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000337499023 534761679 /nfs/dbraw/zinc/76/16/79/534761679.db2.gz ZQUITEXXCKFTSD-WCQYABFASA-N 0 3 235.375 3.124 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000337499024 534754217 /nfs/dbraw/zinc/75/42/17/534754217.db2.gz ZQUITEXXCKFTSD-YPMHNXCESA-N 0 3 235.375 3.124 20 30 BGEDHN CCCN(CC)Cc1cn2ccccc2c1C#N ZINC000337658032 169128512 /nfs/dbraw/zinc/12/85/12/169128512.db2.gz JLBSLJDADNVJBB-UHFFFAOYSA-N 0 3 241.338 3.043 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccncc1F ZINC000338013401 135028434 /nfs/dbraw/zinc/02/84/34/135028434.db2.gz RMXFXAIPYFCLHD-QJPTWQEYSA-N 0 3 236.334 3.472 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccncc1F ZINC000338013404 534359093 /nfs/dbraw/zinc/35/90/93/534359093.db2.gz RMXFXAIPYFCLHD-SDDRHHMPSA-N 0 3 236.334 3.472 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccncc1F ZINC000338013406 534357355 /nfs/dbraw/zinc/35/73/55/534357355.db2.gz RMXFXAIPYFCLHD-SRVKXCTJSA-N 0 3 236.334 3.472 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000338013408 135028373 /nfs/dbraw/zinc/02/83/73/135028373.db2.gz RMXFXAIPYFCLHD-TUAOUCFPSA-N 0 3 236.334 3.472 20 30 BGEDHN CC(C)SCCN(C)Cc1ccc(C#N)cc1 ZINC000338254510 167322620 /nfs/dbraw/zinc/32/26/20/167322620.db2.gz VPEKCSLLGIOXNL-UHFFFAOYSA-N 0 3 248.395 3.132 20 30 BGEDHN C=CCN(CC)Cc1ccc(Cl)cc1 ZINC000338254707 135030699 /nfs/dbraw/zinc/03/06/99/135030699.db2.gz NZNHBPGTSHVBIZ-UHFFFAOYSA-N 0 3 209.720 3.348 20 30 BGEDHN C=CCN(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000338317382 135033991 /nfs/dbraw/zinc/03/39/91/135033991.db2.gz JOHMVPAWLZUNGK-CYBMUJFWSA-N 0 3 239.746 3.145 20 30 BGEDHN C=CCN(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000338317383 135033545 /nfs/dbraw/zinc/03/35/45/135033545.db2.gz JOHMVPAWLZUNGK-ZDUSSCGKSA-N 0 3 239.746 3.145 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(OC)cn1 ZINC000338323234 135033904 /nfs/dbraw/zinc/03/39/04/135033904.db2.gz VRORAOBBVKXXLO-UHFFFAOYSA-N 0 3 248.370 3.268 20 30 BGEDHN C=C(C)CN1CCC(C)=C(c2ccco2)C1 ZINC000338340103 135034059 /nfs/dbraw/zinc/03/40/59/135034059.db2.gz CNPQMNLIMHHRQI-UHFFFAOYSA-N 0 3 217.312 3.335 20 30 BGEDHN CC#CCCN1CCC(C)=C(c2ccco2)C1 ZINC000338340795 135033579 /nfs/dbraw/zinc/03/35/79/135033579.db2.gz HGPBZUIFOWOUJW-UHFFFAOYSA-N 0 3 229.323 3.172 20 30 BGEDHN C[C@@H](NCCCC(C)(C)C#N)c1ccncc1F ZINC000338353155 135035393 /nfs/dbraw/zinc/03/53/93/135035393.db2.gz GXDGIPUGEYTOGX-LLVKDONJSA-N 0 3 249.333 3.201 20 30 BGEDHN C[C@H](NCCCC(C)(C)C#N)c1ccncc1F ZINC000338353201 135034578 /nfs/dbraw/zinc/03/45/78/135034578.db2.gz GXDGIPUGEYTOGX-NSHDSACASA-N 0 3 249.333 3.201 20 30 BGEDHN C[C@H](C1CCCCC1)N(C)CC1(C#N)CC1 ZINC000338375380 135034925 /nfs/dbraw/zinc/03/49/25/135034925.db2.gz ZYIDVHZBWPBFBH-GFCCVEGCSA-N 0 3 220.360 3.191 20 30 BGEDHN C[C@@H](C1CCCCC1)N(C)CC1(C#N)CC1 ZINC000338375382 135035405 /nfs/dbraw/zinc/03/54/05/135035405.db2.gz ZYIDVHZBWPBFBH-LBPRGKRZSA-N 0 3 220.360 3.191 20 30 BGEDHN C=CCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000338540262 135040134 /nfs/dbraw/zinc/04/01/34/135040134.db2.gz MUWKUXJJMMPTSO-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCCN(C)Cc1cc(C)ccc1F ZINC000338540749 534767617 /nfs/dbraw/zinc/76/76/17/534767617.db2.gz BXXSJJZWQGWCMV-UHFFFAOYSA-N 0 3 207.292 3.142 20 30 BGEDHN C=C[C@@H]1CCCCN1C[C@H](OC)c1ccccc1 ZINC000338541702 386033932 /nfs/dbraw/zinc/03/39/32/386033932.db2.gz UNIHBWGSOIKCFG-CVEARBPZSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C[C@H]1CCCCN1C[C@H](OC)c1ccccc1 ZINC000338541703 386034600 /nfs/dbraw/zinc/03/46/00/386034600.db2.gz UNIHBWGSOIKCFG-HOTGVXAUSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C[C@@H]1CCCCN1C[C@@H](OC)c1ccccc1 ZINC000338541704 386033916 /nfs/dbraw/zinc/03/39/16/386033916.db2.gz UNIHBWGSOIKCFG-HZPDHXFCSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C[C@H]1CCCCN1C[C@@H](OC)c1ccccc1 ZINC000338541705 386034448 /nfs/dbraw/zinc/03/44/48/386034448.db2.gz UNIHBWGSOIKCFG-JKSUJKDBSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCN(C)Cc1ccccc1SC ZINC000338544255 135038396 /nfs/dbraw/zinc/03/83/96/135038396.db2.gz XXXXSMUKDPGSFL-UHFFFAOYSA-N 0 3 221.369 3.416 20 30 BGEDHN C=C(C)CN(CC)C[C@H](OC)c1ccccc1 ZINC000338544984 533506406 /nfs/dbraw/zinc/50/64/06/533506406.db2.gz BUCGVPPVOXZBAR-HNNXBMFYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(C)CN(CC)C[C@@H](OC)c1ccccc1 ZINC000338544985 533506279 /nfs/dbraw/zinc/50/62/79/533506279.db2.gz BUCGVPPVOXZBAR-OAHLLOKOSA-N 0 3 233.355 3.272 20 30 BGEDHN C=CCCN(CC)Cc1ccc(OC)cc1OC ZINC000338546276 135039332 /nfs/dbraw/zinc/03/93/32/135039332.db2.gz LXOQNWYSCKIKRO-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCCN(C)Cc1cc(C)ccc1OC ZINC000338546840 534767827 /nfs/dbraw/zinc/76/78/27/534767827.db2.gz QRVIYCRSMQCEQH-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN C=CCCN(C)Cc1ccc(OCC)c(OC)c1 ZINC000338548689 135039347 /nfs/dbraw/zinc/03/93/47/135039347.db2.gz WSBXTOFYLMMCNC-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=CCCN(C)Cc1ccc(Cl)cc1F ZINC000338549343 135038830 /nfs/dbraw/zinc/03/88/30/135038830.db2.gz RBZWTBPADQFRBD-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000338549787 534774931 /nfs/dbraw/zinc/77/49/31/534774931.db2.gz XRNNHUKWKKRPDB-UHFFFAOYSA-N 0 3 231.314 3.491 20 30 BGEDHN C=CCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000338550084 135040077 /nfs/dbraw/zinc/04/00/77/135040077.db2.gz LENHLZGVSLQJQX-AAEUAGOBSA-N 0 3 219.328 3.411 20 30 BGEDHN C=CCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000338550085 135040051 /nfs/dbraw/zinc/04/00/51/135040051.db2.gz LENHLZGVSLQJQX-DGCLKSJQSA-N 0 3 219.328 3.411 20 30 BGEDHN C=CCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000338550086 135040100 /nfs/dbraw/zinc/04/01/00/135040100.db2.gz LENHLZGVSLQJQX-WCQYABFASA-N 0 3 219.328 3.411 20 30 BGEDHN C=CCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000338550087 135039991 /nfs/dbraw/zinc/03/99/91/135039991.db2.gz LENHLZGVSLQJQX-YPMHNXCESA-N 0 3 219.328 3.411 20 30 BGEDHN C=CCCN1CCc2ccc(Cl)cc2C1 ZINC000338563352 166263338 /nfs/dbraw/zinc/26/33/38/166263338.db2.gz KTULPNMCAUAJCO-UHFFFAOYSA-N 0 3 221.731 3.274 20 30 BGEDHN C=CCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000338563638 166265158 /nfs/dbraw/zinc/26/51/58/166265158.db2.gz NCFYTESOWPPZTO-LLVKDONJSA-N 0 3 237.293 3.330 20 30 BGEDHN C=CCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000338563639 166263227 /nfs/dbraw/zinc/26/32/27/166263227.db2.gz NCFYTESOWPPZTO-NSHDSACASA-N 0 3 237.293 3.330 20 30 BGEDHN C=CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338564671 166261121 /nfs/dbraw/zinc/26/11/21/166261121.db2.gz SKHLFEJIVADZMU-UHFFFAOYSA-N 0 3 246.310 3.135 20 30 BGEDHN C=CCCN1CC(c2nc3ccccc3s2)C1 ZINC000338565880 166262751 /nfs/dbraw/zinc/26/27/51/166262751.db2.gz BXNKRFUDQJCLNF-UHFFFAOYSA-N 0 3 244.363 3.272 20 30 BGEDHN C=CCCN1CCc2cc(OCC)ccc2C1 ZINC000338566454 135040904 /nfs/dbraw/zinc/04/09/04/135040904.db2.gz QUVQCINHSZGJRL-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=CCCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000338569074 135041399 /nfs/dbraw/zinc/04/13/99/135041399.db2.gz PQQMUSCXJHKXCM-DZGCQCFKSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000338569077 135041007 /nfs/dbraw/zinc/04/10/07/135041007.db2.gz PQQMUSCXJHKXCM-HIFRSBDPSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000338569079 135040742 /nfs/dbraw/zinc/04/07/42/135040742.db2.gz PQQMUSCXJHKXCM-UKRRQHHQSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000338569080 135040909 /nfs/dbraw/zinc/04/09/09/135040909.db2.gz PQQMUSCXJHKXCM-ZFWWWQNUSA-N 0 3 231.339 3.025 20 30 BGEDHN C=CCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000338570153 135040538 /nfs/dbraw/zinc/04/05/38/135040538.db2.gz YJIFYUHTWKGQTI-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCOCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000338890484 135048082 /nfs/dbraw/zinc/04/80/82/135048082.db2.gz SYLPLISJUYSECA-HNNXBMFYSA-N 0 3 249.329 3.165 20 30 BGEDHN C=CCOCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000338890485 135047377 /nfs/dbraw/zinc/04/73/77/135047377.db2.gz SYLPLISJUYSECA-OAHLLOKOSA-N 0 3 249.329 3.165 20 30 BGEDHN CCc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000338895339 135046431 /nfs/dbraw/zinc/04/64/31/135046431.db2.gz POTXSXGTDHFNOV-CVEARBPZSA-N 0 3 242.366 3.373 20 30 BGEDHN CCc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000338895343 135046352 /nfs/dbraw/zinc/04/63/52/135046352.db2.gz POTXSXGTDHFNOV-HOTGVXAUSA-N 0 3 242.366 3.373 20 30 BGEDHN CCc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000338895345 135046654 /nfs/dbraw/zinc/04/66/54/135046654.db2.gz POTXSXGTDHFNOV-HZPDHXFCSA-N 0 3 242.366 3.373 20 30 BGEDHN CCc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000338895347 135047022 /nfs/dbraw/zinc/04/70/22/135047022.db2.gz POTXSXGTDHFNOV-JKSUJKDBSA-N 0 3 242.366 3.373 20 30 BGEDHN C=CCOCCN(CC)Cc1ccccc1C ZINC000338896831 534876905 /nfs/dbraw/zinc/87/69/05/534876905.db2.gz NUAPYZDSXAGCCD-UHFFFAOYSA-N 0 3 233.355 3.020 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(CC)cn1 ZINC000338908434 135047410 /nfs/dbraw/zinc/04/74/10/135047410.db2.gz XCRJAACEMKHKQK-UHFFFAOYSA-N 0 3 218.344 3.042 20 30 BGEDHN C=CCOCCN(Cc1ccco1)C1CCCC1 ZINC000338912299 534877218 /nfs/dbraw/zinc/87/72/18/534877218.db2.gz CGRRZJUIGPOQLB-UHFFFAOYSA-N 0 3 249.354 3.227 20 30 BGEDHN C=CCOCCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000338914476 135049010 /nfs/dbraw/zinc/04/90/10/135049010.db2.gz ZVTCSWNEWRMIPQ-AWEZNQCLSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCOCCN(C)[C@H](C)c1ccc(C)cc1 ZINC000338914477 135049377 /nfs/dbraw/zinc/04/93/77/135049377.db2.gz ZVTCSWNEWRMIPQ-CQSZACIVSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCOCCN1CCC[C@H]1c1cccc(F)c1 ZINC000338920208 135048021 /nfs/dbraw/zinc/04/80/21/135048021.db2.gz JVSRZNCIKMIRGZ-HNNXBMFYSA-N 0 3 249.329 3.165 20 30 BGEDHN C=CCOCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000338920210 135047709 /nfs/dbraw/zinc/04/77/09/135047709.db2.gz JVSRZNCIKMIRGZ-OAHLLOKOSA-N 0 3 249.329 3.165 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000338921734 135047926 /nfs/dbraw/zinc/04/79/26/135047926.db2.gz VGDJSRFBGFBUNX-DOMZBBRYSA-N 0 3 246.329 3.340 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000338921735 135047613 /nfs/dbraw/zinc/04/76/13/135047613.db2.gz VGDJSRFBGFBUNX-IUODEOHRSA-N 0 3 246.329 3.340 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000338921736 135048006 /nfs/dbraw/zinc/04/80/06/135048006.db2.gz VGDJSRFBGFBUNX-SWLSCSKDSA-N 0 3 246.329 3.340 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000338921737 135047831 /nfs/dbraw/zinc/04/78/31/135047831.db2.gz VGDJSRFBGFBUNX-WFASDCNBSA-N 0 3 246.329 3.340 20 30 BGEDHN C=CCOCCN(Cc1cccs1)C(C)C ZINC000338927838 534877108 /nfs/dbraw/zinc/87/71/08/534877108.db2.gz ZTBPYOWTKJVLEO-UHFFFAOYSA-N 0 3 239.384 3.161 20 30 BGEDHN C=CCOCCN(Cc1ccccc1C)C1CC1 ZINC000338934795 534877375 /nfs/dbraw/zinc/87/73/75/534877375.db2.gz VGNDRIMVJBDJCB-UHFFFAOYSA-N 0 3 245.366 3.162 20 30 BGEDHN C=CCN(Cc1ccc(OC)cc1)C(C)C ZINC000338992200 135050517 /nfs/dbraw/zinc/05/05/17/135050517.db2.gz JJULEKLYFURHLD-UHFFFAOYSA-N 0 3 219.328 3.092 20 30 BGEDHN C=CCN(Cc1ccc(OCC)cc1)C(C)C ZINC000338992344 135049870 /nfs/dbraw/zinc/04/98/70/135049870.db2.gz KOUMPZJGPVOXIL-UHFFFAOYSA-N 0 3 233.355 3.482 20 30 BGEDHN C=CCN(Cc1ccc(F)cc1)C(C)C ZINC000338992831 135049817 /nfs/dbraw/zinc/04/98/17/135049817.db2.gz RZASKTUVIMDIGE-UHFFFAOYSA-N 0 3 207.292 3.222 20 30 BGEDHN C=CC1CCN(Cc2ccc(CC)cn2)CC1 ZINC000338997222 534529962 /nfs/dbraw/zinc/52/99/62/534529962.db2.gz VRWXRMWFNBXZQL-UHFFFAOYSA-N 0 3 230.355 3.042 20 30 BGEDHN C=CCN(Cc1cccc(F)c1)C(C)C ZINC000338998493 135051053 /nfs/dbraw/zinc/05/10/53/135051053.db2.gz ZQFJVSQIZOUPLF-UHFFFAOYSA-N 0 3 207.292 3.222 20 30 BGEDHN C=CCOCCN1CCCCC[C@H]1c1ccco1 ZINC000339002158 534878405 /nfs/dbraw/zinc/87/84/05/534878405.db2.gz IMYDNGGWUXYQTI-AWEZNQCLSA-N 0 3 249.354 3.399 20 30 BGEDHN C=CCOCCN1CCCCC[C@@H]1c1ccco1 ZINC000339002163 534878253 /nfs/dbraw/zinc/87/82/53/534878253.db2.gz IMYDNGGWUXYQTI-CQSZACIVSA-N 0 3 249.354 3.399 20 30 BGEDHN C=CCCCN(C)Cc1ccc(CC)cn1 ZINC000339003459 534709714 /nfs/dbraw/zinc/70/97/14/534709714.db2.gz MOUMZOFBDRFPHS-UHFFFAOYSA-N 0 3 218.344 3.042 20 30 BGEDHN C=CCOCCN(C)Cc1cc2ccccc2o1 ZINC000339008970 135052183 /nfs/dbraw/zinc/05/21/83/135052183.db2.gz DPUNYXCRCDHASI-UHFFFAOYSA-N 0 3 245.322 3.067 20 30 BGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H]2c2ccccc2)C1 ZINC000339010280 136280250 /nfs/dbraw/zinc/28/02/50/136280250.db2.gz JBTQGFOKTXXRQO-BPLDGKMQSA-N 0 3 226.323 3.126 20 30 BGEDHN N#C[C@@H]1CC[C@H](N2CC[C@H]2c2ccccc2)C1 ZINC000339010281 136279656 /nfs/dbraw/zinc/27/96/56/136279656.db2.gz JBTQGFOKTXXRQO-SNPRPXQTSA-N 0 3 226.323 3.126 20 30 BGEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H]2c2ccccc2)C1 ZINC000339010283 136280091 /nfs/dbraw/zinc/28/00/91/136280091.db2.gz JBTQGFOKTXXRQO-VHDGCEQUSA-N 0 3 226.323 3.126 20 30 BGEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H]2c2ccccc2)C1 ZINC000339010285 136279841 /nfs/dbraw/zinc/27/98/41/136279841.db2.gz JBTQGFOKTXXRQO-YUELXQCFSA-N 0 3 226.323 3.126 20 30 BGEDHN C=CCOCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000339010611 136279982 /nfs/dbraw/zinc/27/99/82/136279982.db2.gz RBUJUJZAWDLPQR-KBPBESRZSA-N 0 3 249.354 3.255 20 30 BGEDHN C=CCOCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000339010614 534879132 /nfs/dbraw/zinc/87/91/32/534879132.db2.gz RBUJUJZAWDLPQR-KGLIPLIRSA-N 0 3 249.354 3.255 20 30 BGEDHN C=CCOCCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000339010616 136279716 /nfs/dbraw/zinc/27/97/16/136279716.db2.gz RBUJUJZAWDLPQR-UONOGXRCSA-N 0 3 249.354 3.255 20 30 BGEDHN C=CCOCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000339010618 534878934 /nfs/dbraw/zinc/87/89/34/534878934.db2.gz RBUJUJZAWDLPQR-ZIAGYGMSSA-N 0 3 249.354 3.255 20 30 BGEDHN C[C@@H]1c2ccccc2CN1[C@H]1CC[C@@H](C#N)C1 ZINC000339012376 136280205 /nfs/dbraw/zinc/28/02/05/136280205.db2.gz UXGHQTGUQKHJFX-BZPMIXESSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@@H]1c2ccccc2CN1[C@H]1CC[C@H](C#N)C1 ZINC000339012381 136279886 /nfs/dbraw/zinc/27/98/86/136279886.db2.gz UXGHQTGUQKHJFX-DYEKYZERSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@@H]1c2ccccc2CN1[C@@H]1CC[C@H](C#N)C1 ZINC000339012384 136280270 /nfs/dbraw/zinc/28/02/70/136280270.db2.gz UXGHQTGUQKHJFX-MBNYWOFBSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@@H]1c2ccccc2CN1[C@@H]1CC[C@@H](C#N)C1 ZINC000339012387 136280241 /nfs/dbraw/zinc/28/02/41/136280241.db2.gz UXGHQTGUQKHJFX-YRGRVCCFSA-N 0 3 226.323 3.255 20 30 BGEDHN C=CCOCCN([C@@H](C)c1ccccc1)C1CC1 ZINC000339027466 534877793 /nfs/dbraw/zinc/87/77/93/534877793.db2.gz DCGCVTJTZRTMCQ-AWEZNQCLSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCOCCN([C@H](C)c1ccccc1)C1CC1 ZINC000339027467 534877735 /nfs/dbraw/zinc/87/77/35/534877735.db2.gz DCGCVTJTZRTMCQ-CQSZACIVSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCOCCN[C@@H](C)c1cccc(C)c1C ZINC000339071214 135056135 /nfs/dbraw/zinc/05/61/35/135056135.db2.gz BDWQDQKSGFPIOK-AWEZNQCLSA-N 0 3 233.355 3.157 20 30 BGEDHN C=CCOCCN[C@H](C)c1cccc(C)c1C ZINC000339071215 135055512 /nfs/dbraw/zinc/05/55/12/135055512.db2.gz BDWQDQKSGFPIOK-CQSZACIVSA-N 0 3 233.355 3.157 20 30 BGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000339085253 135055548 /nfs/dbraw/zinc/05/55/48/135055548.db2.gz XDLASHWRMUEAAY-CYZMBNFOSA-N 0 3 232.327 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000339085254 135055591 /nfs/dbraw/zinc/05/55/91/135055591.db2.gz XDLASHWRMUEAAY-DRZSPHRISA-N 0 3 232.327 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000339085256 135055410 /nfs/dbraw/zinc/05/54/10/135055410.db2.gz XDLASHWRMUEAAY-UHTWSYAYSA-N 0 3 232.327 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000339085257 135055155 /nfs/dbraw/zinc/05/51/55/135055155.db2.gz XDLASHWRMUEAAY-WCFLWFBJSA-N 0 3 232.327 3.239 20 30 BGEDHN C=CCOCCN1Cc2ccccc2C[C@@H]1CC ZINC000339097702 135060274 /nfs/dbraw/zinc/06/02/74/135060274.db2.gz KWDLBIGIBZTQRU-INIZCTEOSA-N 0 3 245.366 3.026 20 30 BGEDHN C=CCOCCN1Cc2ccccc2C[C@H]1CC ZINC000339097703 135059981 /nfs/dbraw/zinc/05/99/81/135059981.db2.gz KWDLBIGIBZTQRU-MRXNPFEDSA-N 0 3 245.366 3.026 20 30 BGEDHN Cc1ccc(C)c(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339123426 135059185 /nfs/dbraw/zinc/05/91/85/135059185.db2.gz FBHYVEPUIOJOMR-GDBMZVCRSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1ccc(C)c(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339123427 135059856 /nfs/dbraw/zinc/05/98/56/135059856.db2.gz FBHYVEPUIOJOMR-GOEBONIOSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1ccc(C)c(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339123429 135059783 /nfs/dbraw/zinc/05/97/83/135059783.db2.gz FBHYVEPUIOJOMR-ZBFHGGJFSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339127154 135059628 /nfs/dbraw/zinc/05/96/28/135059628.db2.gz CECFCBSVKOARCP-GDBMZVCRSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339127156 135059298 /nfs/dbraw/zinc/05/92/98/135059298.db2.gz CECFCBSVKOARCP-GOEBONIOSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339127158 135059965 /nfs/dbraw/zinc/05/99/65/135059965.db2.gz CECFCBSVKOARCP-HOCLYGCPSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339127159 135059563 /nfs/dbraw/zinc/05/95/63/135059563.db2.gz CECFCBSVKOARCP-ZBFHGGJFSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000339128372 488142832 /nfs/dbraw/zinc/14/28/32/488142832.db2.gz DRIFRBISFVLHHS-GXTWGEPZSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1F ZINC000339128373 488143093 /nfs/dbraw/zinc/14/30/93/488143093.db2.gz DRIFRBISFVLHHS-JSGCOSHPSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000339128374 488143301 /nfs/dbraw/zinc/14/33/01/488143301.db2.gz DRIFRBISFVLHHS-OCCSQVGLSA-N 0 3 246.329 3.258 20 30 BGEDHN Cc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000339128375 488143218 /nfs/dbraw/zinc/14/32/18/488143218.db2.gz DRIFRBISFVLHHS-TZMCWYRMSA-N 0 3 246.329 3.258 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(CC)cn1 ZINC000339131115 534694494 /nfs/dbraw/zinc/69/44/94/534694494.db2.gz AQQJEFDQGHNGEP-HNNXBMFYSA-N 0 3 230.355 3.185 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(CC)cn1 ZINC000339131117 135061213 /nfs/dbraw/zinc/06/12/13/135061213.db2.gz AQQJEFDQGHNGEP-OAHLLOKOSA-N 0 3 230.355 3.185 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(COC)cc1 ZINC000339135490 534694464 /nfs/dbraw/zinc/69/44/64/534694464.db2.gz UPDPXBMWLYMWPF-INIZCTEOSA-N 0 3 245.366 3.374 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(COC)cc1 ZINC000339135491 135061835 /nfs/dbraw/zinc/06/18/35/135061835.db2.gz UPDPXBMWLYMWPF-MRXNPFEDSA-N 0 3 245.366 3.374 20 30 BGEDHN C=CCNCc1ccc(C2CCC2)cc1 ZINC000339174510 388479430 /nfs/dbraw/zinc/47/94/30/388479430.db2.gz UNWICHIEICIGKR-UHFFFAOYSA-N 0 3 201.313 3.230 20 30 BGEDHN CC#CCCN1CC[C@@H](c2ccccc2F)C1 ZINC000339382529 135073044 /nfs/dbraw/zinc/07/30/44/135073044.db2.gz WAOXMTOXZCVTGZ-CYBMUJFWSA-N 0 3 231.314 3.028 20 30 BGEDHN CC#CCCN1CC[C@H](c2ccccc2F)C1 ZINC000339382530 135072989 /nfs/dbraw/zinc/07/29/89/135072989.db2.gz WAOXMTOXZCVTGZ-ZDUSSCGKSA-N 0 3 231.314 3.028 20 30 BGEDHN Cc1cc(Cl)cc(CNCC2(CC#N)CC2)c1 ZINC000339385270 135072972 /nfs/dbraw/zinc/07/29/72/135072972.db2.gz NADVMTOYRGQCRP-UHFFFAOYSA-N 0 3 248.757 3.432 20 30 BGEDHN C=CC[C@@H](CC)NCc1cc(OC)ccc1F ZINC000339387307 135072553 /nfs/dbraw/zinc/07/25/53/135072553.db2.gz KENPMVWFBKEELH-GFCCVEGCSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@H](CC)NCc1cc(OC)ccc1F ZINC000339387308 135072909 /nfs/dbraw/zinc/07/29/09/135072909.db2.gz KENPMVWFBKEELH-LBPRGKRZSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CCC(C)(C)CNCc1ncc(CC)s1 ZINC000339418134 388483020 /nfs/dbraw/zinc/48/30/20/388483020.db2.gz YFCYSQGYDQPDGL-UHFFFAOYSA-N 0 3 238.400 3.397 20 30 BGEDHN C=CCC(C)(C)CNCc1cccc(OCC)n1 ZINC000339418992 350756201 /nfs/dbraw/zinc/75/62/01/350756201.db2.gz ZXCCJUZLYHPNPE-UHFFFAOYSA-N 0 3 248.370 3.172 20 30 BGEDHN CC(C)(C)C1CC(NCc2ccc(C#N)o2)C1 ZINC000339469130 383988324 /nfs/dbraw/zinc/98/83/24/383988324.db2.gz QQALUSCFHSWXJD-UHFFFAOYSA-N 0 3 232.327 3.066 20 30 BGEDHN C=CCOc1ccccc1CNCC[C@@H](C)F ZINC000339488841 135074738 /nfs/dbraw/zinc/07/47/38/135074738.db2.gz QGXXOIWKSXNDMT-GFCCVEGCSA-N 0 3 237.318 3.089 20 30 BGEDHN C=CCOc1ccccc1CNCC[C@H](C)F ZINC000339488842 135074825 /nfs/dbraw/zinc/07/48/25/135074825.db2.gz QGXXOIWKSXNDMT-LBPRGKRZSA-N 0 3 237.318 3.089 20 30 BGEDHN CC[C@@H]1CCC[C@@H]1NCc1ccccc1C#N ZINC000339505019 344667391 /nfs/dbraw/zinc/66/73/91/344667391.db2.gz KCMGSYLGUIYTQG-DOMZBBRYSA-N 0 3 228.339 3.227 20 30 BGEDHN CC[C@@H]1CCC[C@H]1NCc1ccccc1C#N ZINC000339505020 171000583 /nfs/dbraw/zinc/00/05/83/171000583.db2.gz KCMGSYLGUIYTQG-IUODEOHRSA-N 0 3 228.339 3.227 20 30 BGEDHN CC[C@H]1CCC[C@H]1NCc1ccccc1C#N ZINC000339505021 171628569 /nfs/dbraw/zinc/62/85/69/171628569.db2.gz KCMGSYLGUIYTQG-SWLSCSKDSA-N 0 3 228.339 3.227 20 30 BGEDHN CC[C@H]1CCC[C@@H]1NCc1ccccc1C#N ZINC000339505022 383992334 /nfs/dbraw/zinc/99/23/34/383992334.db2.gz KCMGSYLGUIYTQG-WFASDCNBSA-N 0 3 228.339 3.227 20 30 BGEDHN C=CCOc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000339583257 487471206 /nfs/dbraw/zinc/47/12/06/487471206.db2.gz HVBYBXREUUOWKD-CABCVRRESA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1cccc(CN[C@H]2CCC[C@@H]2F)c1 ZINC000339583258 487471330 /nfs/dbraw/zinc/47/13/30/487471330.db2.gz HVBYBXREUUOWKD-GJZGRUSLSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]2F)c1 ZINC000339583259 487471285 /nfs/dbraw/zinc/47/12/85/487471285.db2.gz HVBYBXREUUOWKD-HUUCEWRRSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000339583260 487471230 /nfs/dbraw/zinc/47/12/30/487471230.db2.gz HVBYBXREUUOWKD-LSDHHAIUSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000339586567 135075998 /nfs/dbraw/zinc/07/59/98/135075998.db2.gz KYWZIOKCZXZNGX-CABCVRRESA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccc(CN[C@H]2CCC[C@@H]2F)cc1 ZINC000339586568 135076010 /nfs/dbraw/zinc/07/60/10/135076010.db2.gz 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240.350 3.180 20 30 BGEDHN N#Cc1ccccc1CN1CC[C@H](CC2CC2)C1 ZINC000339685369 181145270 /nfs/dbraw/zinc/14/52/70/181145270.db2.gz ZKQLNVPPHODUAM-CQSZACIVSA-N 0 3 240.350 3.180 20 30 BGEDHN C=CCCN1CCN(CCC=C)[C@H]2CCCC[C@@H]21 ZINC000339732622 166265068 /nfs/dbraw/zinc/26/50/68/166265068.db2.gz BDVIIJWMALWKKS-HOTGVXAUSA-N 0 3 248.414 3.067 20 30 BGEDHN C=CCCN1CCN(CCC=C)[C@H]2CCCC[C@H]21 ZINC000339732623 166264263 /nfs/dbraw/zinc/26/42/63/166264263.db2.gz BDVIIJWMALWKKS-IYBDPMFKSA-N 0 3 248.414 3.067 20 30 BGEDHN C=CCCCN1CCc2c(F)cccc2C1 ZINC000339790468 534719789 /nfs/dbraw/zinc/71/97/89/534719789.db2.gz FRFMLFZWEPBTLF-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN CCCCN(CCC#N)C1CCCCC1 ZINC000339799849 135082275 /nfs/dbraw/zinc/08/22/75/135082275.db2.gz YCDCHPJVSWHCCY-UHFFFAOYSA-N 0 3 208.349 3.335 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261316 352133102 /nfs/dbraw/zinc/13/31/02/352133102.db2.gz PQCRIWRKJPJFQW-BXUZGUMPSA-N 0 3 247.338 3.088 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261317 352132615 /nfs/dbraw/zinc/13/26/15/352132615.db2.gz PQCRIWRKJPJFQW-FZMZJTMJSA-N 0 3 247.338 3.088 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261318 352132495 /nfs/dbraw/zinc/13/24/95/352132495.db2.gz PQCRIWRKJPJFQW-RISCZKNCSA-N 0 3 247.338 3.088 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261319 352132539 /nfs/dbraw/zinc/13/25/39/352132539.db2.gz PQCRIWRKJPJFQW-SMDDNHRTSA-N 0 3 247.338 3.088 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@H](O)C(C)(C)C ZINC000340275969 352145109 /nfs/dbraw/zinc/14/51/09/352145109.db2.gz DIYYCYORCLOULB-HNNXBMFYSA-N 0 3 247.382 3.082 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@@H](O)C(C)(C)C ZINC000340275972 352145128 /nfs/dbraw/zinc/14/51/28/352145128.db2.gz DIYYCYORCLOULB-OAHLLOKOSA-N 0 3 247.382 3.082 20 30 BGEDHN N#CCCN(CC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000340287017 352151007 /nfs/dbraw/zinc/15/10/07/352151007.db2.gz FOCWCEVXYRKTRX-GFCCVEGCSA-N 0 3 242.313 3.047 20 30 BGEDHN N#CCCN(CC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000340287025 352151226 /nfs/dbraw/zinc/15/12/26/352151226.db2.gz FOCWCEVXYRKTRX-LBPRGKRZSA-N 0 3 242.313 3.047 20 30 BGEDHN CC(C)CCN(CCC#N)CC1(C)CCC1 ZINC000340293672 352162506 /nfs/dbraw/zinc/16/25/06/352162506.db2.gz ZVIHLSXNHVBKEF-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CC#CCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340316221 365484259 /nfs/dbraw/zinc/48/42/59/365484259.db2.gz ZRGRYXZPGQMQQX-GFCCVEGCSA-N 0 3 213.324 3.238 20 30 BGEDHN CC#CCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340316227 365484522 /nfs/dbraw/zinc/48/45/22/365484522.db2.gz ZRGRYXZPGQMQQX-LBPRGKRZSA-N 0 3 213.324 3.238 20 30 BGEDHN C=CCOCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340350549 352232196 /nfs/dbraw/zinc/23/21/96/352232196.db2.gz NWFKIZOYNSZNSZ-CYBMUJFWSA-N 0 3 245.366 3.417 20 30 BGEDHN C=CCOCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340350550 352232031 /nfs/dbraw/zinc/23/20/31/352232031.db2.gz NWFKIZOYNSZNSZ-ZDUSSCGKSA-N 0 3 245.366 3.417 20 30 BGEDHN C=CCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340363516 365485547 /nfs/dbraw/zinc/48/55/47/365485547.db2.gz FBPZKLOZRVDZCQ-LLVKDONJSA-N 0 3 201.313 3.401 20 30 BGEDHN C=CCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340363517 365485125 /nfs/dbraw/zinc/48/51/25/365485125.db2.gz FBPZKLOZRVDZCQ-NSHDSACASA-N 0 3 201.313 3.401 20 30 BGEDHN C[C@@H](NCC(C)(C)CCC#N)c1ccncc1F ZINC000340387655 352304378 /nfs/dbraw/zinc/30/43/78/352304378.db2.gz BCORJWULLJZUKT-LLVKDONJSA-N 0 3 249.333 3.201 20 30 BGEDHN C[C@H](NCC(C)(C)CCC#N)c1ccncc1F ZINC000340387656 352304021 /nfs/dbraw/zinc/30/40/21/352304021.db2.gz BCORJWULLJZUKT-NSHDSACASA-N 0 3 249.333 3.201 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1ccncc1F ZINC000340429313 534554504 /nfs/dbraw/zinc/55/45/04/534554504.db2.gz JQEJNAAQNSHPHW-LLVKDONJSA-N 0 3 236.334 3.474 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1ccncc1F ZINC000340429315 534552593 /nfs/dbraw/zinc/55/25/93/534552593.db2.gz JQEJNAAQNSHPHW-NSHDSACASA-N 0 3 236.334 3.474 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000340430553 385062022 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ZINC000340525757 384478521 /nfs/dbraw/zinc/47/85/21/384478521.db2.gz XSVSKGWEJJBDAU-SOUVJXGZSA-N 0 3 246.329 3.490 20 30 BGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000340534157 181132667 /nfs/dbraw/zinc/13/26/67/181132667.db2.gz YJRIDOMEVKRZCE-KFWWJZLASA-N 0 3 244.313 3.026 20 30 BGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CC2 ZINC000340534160 181132256 /nfs/dbraw/zinc/13/22/56/181132256.db2.gz YJRIDOMEVKRZCE-RBSFLKMASA-N 0 3 244.313 3.026 20 30 BGEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000340534162 181132516 /nfs/dbraw/zinc/13/25/16/181132516.db2.gz YJRIDOMEVKRZCE-RRFJBIMHSA-N 0 3 244.313 3.026 20 30 BGEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CC2 ZINC000340534164 181132552 /nfs/dbraw/zinc/13/25/52/181132552.db2.gz YJRIDOMEVKRZCE-ZNMIVQPWSA-N 0 3 244.313 3.026 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(C#N)c1 ZINC000340534194 384478106 /nfs/dbraw/zinc/47/81/06/384478106.db2.gz YMCULZVZSQOERK-BPNCWPANSA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@H]1F)c1cccc(C#N)c1 ZINC000340534195 384478550 /nfs/dbraw/zinc/47/85/50/384478550.db2.gz YMCULZVZSQOERK-GDLCADMTSA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(C#N)c1 ZINC000340534196 384478420 /nfs/dbraw/zinc/47/84/20/384478420.db2.gz YMCULZVZSQOERK-LEWSCRJBSA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(C#N)c1 ZINC000340534198 384479960 /nfs/dbraw/zinc/47/99/60/384479960.db2.gz YMCULZVZSQOERK-ZLKJLUDKSA-N 0 3 232.302 3.099 20 30 BGEDHN Cc1ccccc1[C@@H](C)N(C)CCCC#N ZINC000340639346 135206522 /nfs/dbraw/zinc/20/65/22/135206522.db2.gz QZBPMYFFJQOGRZ-CYBMUJFWSA-N 0 3 216.328 3.292 20 30 BGEDHN Cc1ccccc1[C@H](C)N(C)CCCC#N ZINC000340639347 135206673 /nfs/dbraw/zinc/20/66/73/135206673.db2.gz QZBPMYFFJQOGRZ-ZDUSSCGKSA-N 0 3 216.328 3.292 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1ccco1 ZINC000340760576 135228835 /nfs/dbraw/zinc/22/88/35/135228835.db2.gz MHMLLSSDZFNSFF-GFCCVEGCSA-N 0 3 207.317 3.456 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1ccco1 ZINC000340760586 135228967 /nfs/dbraw/zinc/22/89/67/135228967.db2.gz MHMLLSSDZFNSFF-LBPRGKRZSA-N 0 3 207.317 3.456 20 30 BGEDHN C=CCN(CCSCC)Cc1ccccc1 ZINC000340762516 135228847 /nfs/dbraw/zinc/22/88/47/135228847.db2.gz WQYSBYLKJZZAKF-UHFFFAOYSA-N 0 3 235.396 3.428 20 30 BGEDHN CC1(C#N)CCN(CCCc2ccsc2)CC1 ZINC000340782336 535276139 /nfs/dbraw/zinc/27/61/39/535276139.db2.gz WDZPXYGOAXNHMT-UHFFFAOYSA-N 0 3 248.395 3.306 20 30 BGEDHN CC(C)N(Cc1cccc(C#N)c1F)C1CCC1 ZINC000340803400 188216900 /nfs/dbraw/zinc/21/69/00/188216900.db2.gz GJKNLMXMXHRNLY-UHFFFAOYSA-N 0 3 246.329 3.460 20 30 BGEDHN C=CCCC[C@@H](C)N1CCc2ccc(O)cc2C1 ZINC000340817618 135229969 /nfs/dbraw/zinc/22/99/69/135229969.db2.gz MREFLEFYGHNDFE-CYBMUJFWSA-N 0 3 245.366 3.495 20 30 BGEDHN C=CCCC[C@H](C)N1CCc2ccc(O)cc2C1 ZINC000340817634 534755226 /nfs/dbraw/zinc/75/52/26/534755226.db2.gz MREFLEFYGHNDFE-ZDUSSCGKSA-N 0 3 245.366 3.495 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000340871972 171200630 /nfs/dbraw/zinc/20/06/30/171200630.db2.gz NTBNSWGMEDLMBV-HNNXBMFYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000340871986 384733395 /nfs/dbraw/zinc/73/33/95/384733395.db2.gz NTBNSWGMEDLMBV-OAHLLOKOSA-N 0 3 246.329 3.319 20 30 BGEDHN CCN(Cc1cccc(C#N)c1F)C1CCC1 ZINC000340877438 346267514 /nfs/dbraw/zinc/26/75/14/346267514.db2.gz SGDIYXCZGVZZON-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN C[C@@H](N(C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880935 385176004 /nfs/dbraw/zinc/17/60/04/385176004.db2.gz VFXDNFLWYQIDFP-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H](N(C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880948 385208909 /nfs/dbraw/zinc/20/89/09/385208909.db2.gz VFXDNFLWYQIDFP-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000340887579 176199529 /nfs/dbraw/zinc/19/95/29/176199529.db2.gz ZTDJYQVLSMVUGX-GHMZBOCLSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@@H]1CC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000340887581 177186801 /nfs/dbraw/zinc/18/68/01/177186801.db2.gz ZTDJYQVLSMVUGX-PHIMTYICSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000340887582 177199866 /nfs/dbraw/zinc/19/98/66/177199866.db2.gz ZTDJYQVLSMVUGX-QWRGUYRKSA-N 0 3 232.302 3.070 20 30 BGEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000340897602 177263834 /nfs/dbraw/zinc/26/38/34/177263834.db2.gz OHQSJZQYPXQGLC-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000340897607 176304035 /nfs/dbraw/zinc/30/40/35/176304035.db2.gz OHQSJZQYPXQGLC-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCCN(C)Cc1cccc(C#N)c1F ZINC000340906329 534709206 /nfs/dbraw/zinc/70/92/06/534709206.db2.gz MHTKSTIJHMECJU-UHFFFAOYSA-N 0 3 232.302 3.095 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1ccoc1 ZINC000340948947 135231600 /nfs/dbraw/zinc/23/16/00/135231600.db2.gz LHBQTBKHJVFOQY-GFCCVEGCSA-N 0 3 207.317 3.456 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1ccoc1 ZINC000340948948 135231675 /nfs/dbraw/zinc/23/16/75/135231675.db2.gz LHBQTBKHJVFOQY-LBPRGKRZSA-N 0 3 207.317 3.456 20 30 BGEDHN N#Cc1cccc(C2(NCc3ccccc3)CC2)c1 ZINC000341209390 181136594 /nfs/dbraw/zinc/13/65/94/181136594.db2.gz DRLCERYNTRHWQW-UHFFFAOYSA-N 0 3 248.329 3.337 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000341456477 135238393 /nfs/dbraw/zinc/23/83/93/135238393.db2.gz BIBVBNDEWABFIZ-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000341456478 135238139 /nfs/dbraw/zinc/23/81/39/135238139.db2.gz BIBVBNDEWABFIZ-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCCN(C)c1ccnc2ccccc21 ZINC000341469711 534773087 /nfs/dbraw/zinc/77/30/87/534773087.db2.gz UELBMMDHZJQWRY-UHFFFAOYSA-N 0 3 212.296 3.247 20 30 BGEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)CCC2 ZINC000341505374 135239849 /nfs/dbraw/zinc/23/98/49/135239849.db2.gz JTYPHTGVOPBVRM-GFCCVEGCSA-N 0 3 228.339 3.130 20 30 BGEDHN C[C@H](NCCCC#N)c1ccc2c(c1)CCC2 ZINC000341505376 135239888 /nfs/dbraw/zinc/23/98/88/135239888.db2.gz JTYPHTGVOPBVRM-LBPRGKRZSA-N 0 3 228.339 3.130 20 30 BGEDHN CC[C@@H](NCCCC#N)c1ccccc1OC ZINC000341660624 535803492 /nfs/dbraw/zinc/80/34/92/535803492.db2.gz QNHATNKTIFSJMR-CYBMUJFWSA-N 0 3 232.327 3.040 20 30 BGEDHN CC[C@H](NCCCC#N)c1ccccc1OC ZINC000341660625 535899797 /nfs/dbraw/zinc/89/97/97/535899797.db2.gz QNHATNKTIFSJMR-ZDUSSCGKSA-N 0 3 232.327 3.040 20 30 BGEDHN C=CCN[C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000341661182 135241175 /nfs/dbraw/zinc/24/11/75/135241175.db2.gz RNRZRVNFTHCLDP-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000341661184 135241010 /nfs/dbraw/zinc/24/10/10/135241010.db2.gz RNRZRVNFTHCLDP-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=CCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663671 135241265 /nfs/dbraw/zinc/24/12/65/135241265.db2.gz YGJZLQGUQBXUFK-GFCCVEGCSA-N 0 3 249.354 3.319 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663672 135241048 /nfs/dbraw/zinc/24/10/48/135241048.db2.gz YGJZLQGUQBXUFK-LBPRGKRZSA-N 0 3 249.354 3.319 20 30 BGEDHN CC[C@H](NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000341798249 135242403 /nfs/dbraw/zinc/24/24/03/135242403.db2.gz IWRGBTDTSBMVGM-DQGBIZLVSA-N 0 3 246.398 3.485 20 30 BGEDHN CC[C@@H](NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000341798250 535803205 /nfs/dbraw/zinc/80/32/05/535803205.db2.gz IWRGBTDTSBMVGM-IBHBGHMQSA-N 0 3 246.398 3.485 20 30 BGEDHN C=C(CC)CN[C@@H](CCCO)c1ccccc1 ZINC000341882932 534419659 /nfs/dbraw/zinc/41/96/59/534419659.db2.gz HSEOMFSGKSTONQ-HNNXBMFYSA-N 0 3 233.355 3.056 20 30 BGEDHN C=C(CC)CN[C@H](CCCO)c1ccccc1 ZINC000341882933 534418958 /nfs/dbraw/zinc/41/89/58/534418958.db2.gz HSEOMFSGKSTONQ-OAHLLOKOSA-N 0 3 233.355 3.056 20 30 BGEDHN CC(C)CCN(CCC#N)CCCCCF ZINC000341885108 135243750 /nfs/dbraw/zinc/24/37/50/135243750.db2.gz UCJKABHCHBHVKK-UHFFFAOYSA-N 0 3 228.355 3.388 20 30 BGEDHN CC(C)(C)CN(CCC#N)CCCCCF ZINC000341894661 386996170 /nfs/dbraw/zinc/99/61/70/386996170.db2.gz UZLYMMWRGYADHQ-UHFFFAOYSA-N 0 3 228.355 3.388 20 30 BGEDHN Cc1cc([C@@H](C)NCCCC#N)cc(C)c1F ZINC000341934185 178224798 /nfs/dbraw/zinc/22/47/98/178224798.db2.gz WBNNVYSGDKYVDU-GFCCVEGCSA-N 0 3 234.318 3.397 20 30 BGEDHN Cc1cc([C@H](C)NCCCC#N)cc(C)c1F ZINC000341934186 178246991 /nfs/dbraw/zinc/24/69/91/178246991.db2.gz WBNNVYSGDKYVDU-LBPRGKRZSA-N 0 3 234.318 3.397 20 30 BGEDHN N#CCCCCN1CCC(CC(F)(F)F)CC1 ZINC000341982199 487846546 /nfs/dbraw/zinc/84/65/46/487846546.db2.gz DFLQYCJGHJMPGR-UHFFFAOYSA-N 0 3 248.292 3.345 20 30 BGEDHN C=C(CC)CNC1(c2cccc(C#N)c2)CC1 ZINC000341985399 385912091 /nfs/dbraw/zinc/91/20/91/385912091.db2.gz XDIHQAAHZIVULC-UHFFFAOYSA-N 0 3 226.323 3.103 20 30 BGEDHN C=CCCN1CCC(CC(F)(F)F)CC1 ZINC000341989376 166262304 /nfs/dbraw/zinc/26/23/04/166262304.db2.gz JUDYBUJYSMDZGP-UHFFFAOYSA-N 0 3 221.266 3.227 20 30 BGEDHN C=C1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000341991900 385915937 /nfs/dbraw/zinc/91/59/37/385915937.db2.gz HKZZNXVXRMETHF-UHFFFAOYSA-N 0 3 249.329 3.247 20 30 BGEDHN C=C1CCN(CCCOc2ccccc2)CC1 ZINC000341998815 534466103 /nfs/dbraw/zinc/46/61/03/534466103.db2.gz VTRWYOWVPSMNDT-UHFFFAOYSA-N 0 3 231.339 3.108 20 30 BGEDHN C=C1CCN(CCOc2cccc(C)c2)CC1 ZINC000342000284 534465250 /nfs/dbraw/zinc/46/52/50/534465250.db2.gz JZXGQQBPKINPQX-UHFFFAOYSA-N 0 3 231.339 3.026 20 30 BGEDHN C=C1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000342000395 534466529 /nfs/dbraw/zinc/46/65/29/534466529.db2.gz KGWGPBZMSBLEKL-CABCVRRESA-N 0 3 237.387 3.234 20 30 BGEDHN C=C1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000342000399 534465619 /nfs/dbraw/zinc/46/56/19/534465619.db2.gz KGWGPBZMSBLEKL-GJZGRUSLSA-N 0 3 237.387 3.234 20 30 BGEDHN C=C1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000342000401 534465033 /nfs/dbraw/zinc/46/50/33/534465033.db2.gz KGWGPBZMSBLEKL-HUUCEWRRSA-N 0 3 237.387 3.234 20 30 BGEDHN C=C1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000342000404 534464723 /nfs/dbraw/zinc/46/47/23/534464723.db2.gz KGWGPBZMSBLEKL-LSDHHAIUSA-N 0 3 237.387 3.234 20 30 BGEDHN Cc1cc(CNCCSC(C)C)ccc1C#N ZINC000342078228 178022915 /nfs/dbraw/zinc/02/29/15/178022915.db2.gz VDPQMQUTSSFKPM-UHFFFAOYSA-N 0 3 248.395 3.098 20 30 BGEDHN C=CCCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000342125085 135248351 /nfs/dbraw/zinc/24/83/51/135248351.db2.gz ILNOWTMLXLDFFA-UHFFFAOYSA-N 0 3 244.260 3.108 20 30 BGEDHN C=C(CC)CN1CCC(F)(c2cccnc2)CC1 ZINC000342143862 534381567 /nfs/dbraw/zinc/38/15/67/534381567.db2.gz BKGOHYJFSDVXDC-UHFFFAOYSA-N 0 3 248.345 3.308 20 30 BGEDHN CCc1ccc(CNCC(C)(C)CCC#N)o1 ZINC000342291771 135256495 /nfs/dbraw/zinc/25/64/95/135256495.db2.gz NRQBDOZNNDOAGF-UHFFFAOYSA-N 0 3 234.343 3.262 20 30 BGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H](F)C1 ZINC000342292358 135256099 /nfs/dbraw/zinc/25/60/99/135256099.db2.gz ZEUWRYUTRGSOOP-KBPBESRZSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](F)C1 ZINC000342292361 135256647 /nfs/dbraw/zinc/25/66/47/135256647.db2.gz ZEUWRYUTRGSOOP-KGLIPLIRSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@H](F)C1 ZINC000342292363 135256626 /nfs/dbraw/zinc/25/66/26/135256626.db2.gz ZEUWRYUTRGSOOP-UONOGXRCSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@H](F)C1 ZINC000342292366 135256424 /nfs/dbraw/zinc/25/64/24/135256424.db2.gz ZEUWRYUTRGSOOP-ZIAGYGMSSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCCCN[C@@H](COC)c1ccc(F)cc1 ZINC000342325734 135263923 /nfs/dbraw/zinc/26/39/23/135263923.db2.gz RPYUEWZOUJCWIF-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCCCN[C@H](COC)c1ccc(F)cc1 ZINC000342325735 534736639 /nfs/dbraw/zinc/73/66/39/534736639.db2.gz RPYUEWZOUJCWIF-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(CC)CN[C@@H](COC)c1ccc(F)cc1 ZINC000342338443 534420531 /nfs/dbraw/zinc/42/05/31/534420531.db2.gz NRIWUJNFTLOITO-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(CC)CN[C@H](COC)c1ccc(F)cc1 ZINC000342338446 534419582 /nfs/dbraw/zinc/41/95/82/534419582.db2.gz NRIWUJNFTLOITO-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(CC)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000342338561 534419716 /nfs/dbraw/zinc/41/97/16/534419716.db2.gz GXECDCXZIDPUPF-CYBMUJFWSA-N 0 3 235.375 3.063 20 30 BGEDHN C=C(CC)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342338564 534419846 /nfs/dbraw/zinc/41/98/46/534419846.db2.gz GXECDCXZIDPUPF-ZDUSSCGKSA-N 0 3 235.375 3.063 20 30 BGEDHN CC1(C)CN(CC2(C#N)CC2)CC(C)(C)C1 ZINC000342341998 135265671 /nfs/dbraw/zinc/26/56/71/135265671.db2.gz VJGCAHOUZVSMNF-UHFFFAOYSA-N 0 3 220.360 3.048 20 30 BGEDHN C=CCN1Cc2ccccc2C[C@@H]1CC ZINC000342353510 534855260 /nfs/dbraw/zinc/85/52/60/534855260.db2.gz ZNYBCWFTQIRYCI-AWEZNQCLSA-N 0 3 201.313 3.009 20 30 BGEDHN C=CCN1Cc2ccccc2C[C@H]1CC ZINC000342353511 534854954 /nfs/dbraw/zinc/85/49/54/534854954.db2.gz ZNYBCWFTQIRYCI-CQSZACIVSA-N 0 3 201.313 3.009 20 30 BGEDHN C=CCN(CCc1ccc(F)cc1)C1CC1 ZINC000342593707 135300336 /nfs/dbraw/zinc/30/03/36/135300336.db2.gz NAQUCUZQXLDINU-UHFFFAOYSA-N 0 3 219.303 3.019 20 30 BGEDHN CCN(CCC#N)C[C@@H](C)CCc1ccccc1 ZINC000342677817 135303869 /nfs/dbraw/zinc/30/38/69/135303869.db2.gz FQSWUYRCPWWVTI-HNNXBMFYSA-N 0 3 244.382 3.491 20 30 BGEDHN CCN(CCC#N)C[C@H](C)CCc1ccccc1 ZINC000342677818 135303762 /nfs/dbraw/zinc/30/37/62/135303762.db2.gz FQSWUYRCPWWVTI-OAHLLOKOSA-N 0 3 244.382 3.491 20 30 BGEDHN CCC1CC(NC2(c3cccc(C#N)c3)CC2)C1 ZINC000342702872 135311931 /nfs/dbraw/zinc/31/19/31/135311931.db2.gz UQFOTPLGUXAZRO-UHFFFAOYSA-N 0 3 240.350 3.326 20 30 BGEDHN C=CCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721505 534770216 /nfs/dbraw/zinc/77/02/16/534770216.db2.gz NCICVPFJLKZVCZ-LLVKDONJSA-N 0 3 234.299 3.164 20 30 BGEDHN C=CCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721507 534770574 /nfs/dbraw/zinc/77/05/74/534770574.db2.gz NCICVPFJLKZVCZ-NSHDSACASA-N 0 3 234.299 3.164 20 30 BGEDHN C=CCCN(C)Cc1ccccc1OC(C)C ZINC000342730853 135315776 /nfs/dbraw/zinc/31/57/76/135315776.db2.gz ZOUFKKORMBOAJY-UHFFFAOYSA-N 0 3 233.355 3.482 20 30 BGEDHN C=CCCN(C)Cc1ccc(OC)c(Cl)c1 ZINC000342731139 135316735 /nfs/dbraw/zinc/31/67/35/135316735.db2.gz BHAJAENIZDXTBY-UHFFFAOYSA-N 0 3 239.746 3.357 20 30 BGEDHN C=CCCN(C)Cc1ccccc1OC(F)F ZINC000342736470 135309866 /nfs/dbraw/zinc/30/98/66/135309866.db2.gz QWPAMXFSYFQVKF-UHFFFAOYSA-N 0 3 241.281 3.296 20 30 BGEDHN C=CCCN(C)Cc1cccc(OC(C)(C)C)n1 ZINC000342741302 135310703 /nfs/dbraw/zinc/31/07/03/135310703.db2.gz TVMOIDZIKVFZSL-UHFFFAOYSA-N 0 3 248.370 3.267 20 30 BGEDHN C[C@H](CCc1ccccc1)CN(C)[C@@H](C)CC#N ZINC000342761123 135325338 /nfs/dbraw/zinc/32/53/38/135325338.db2.gz TVRCLRUVBMGQIM-CABCVRRESA-N 0 3 244.382 3.489 20 30 BGEDHN C[C@@H](CCc1ccccc1)CN(C)[C@@H](C)CC#N ZINC000342761124 135325783 /nfs/dbraw/zinc/32/57/83/135325783.db2.gz TVRCLRUVBMGQIM-GJZGRUSLSA-N 0 3 244.382 3.489 20 30 BGEDHN C[C@H](CCc1ccccc1)CN(C)[C@H](C)CC#N ZINC000342761125 135325202 /nfs/dbraw/zinc/32/52/02/135325202.db2.gz TVRCLRUVBMGQIM-HUUCEWRRSA-N 0 3 244.382 3.489 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H](C)CCc1ccccc1 ZINC000342761126 135325872 /nfs/dbraw/zinc/32/58/72/135325872.db2.gz TVRCLRUVBMGQIM-LSDHHAIUSA-N 0 3 244.382 3.489 20 30 BGEDHN CC1(C)CC(NC2(c3cccc(C#N)c3)CC2)C1 ZINC000342800018 535287775 /nfs/dbraw/zinc/28/77/75/535287775.db2.gz PVVVKAAMYHBDPV-UHFFFAOYSA-N 0 3 240.350 3.326 20 30 BGEDHN C=CCCCCCN(C)Cc1ccnc(OC)c1 ZINC000342864473 352881333 /nfs/dbraw/zinc/88/13/33/352881333.db2.gz ORHRSMTWFCMJNH-UHFFFAOYSA-N 0 3 248.370 3.268 20 30 BGEDHN CCC[C@@H](C)CN(C[C@@H](C)C#N)C1CC1 ZINC000342905289 352915642 /nfs/dbraw/zinc/91/56/42/352915642.db2.gz WTKBDANQDDWQSV-NEPJUHHUSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC[C@H](C)CN(C[C@H](C)C#N)C1CC1 ZINC000342905290 352915756 /nfs/dbraw/zinc/91/57/56/352915756.db2.gz WTKBDANQDDWQSV-NWDGAFQWSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC[C@H](C)CN(C[C@@H](C)C#N)C1CC1 ZINC000342905291 352915721 /nfs/dbraw/zinc/91/57/21/352915721.db2.gz WTKBDANQDDWQSV-RYUDHWBXSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC[C@@H](C)CN(C[C@H](C)C#N)C1CC1 ZINC000342905292 352915879 /nfs/dbraw/zinc/91/58/79/352915879.db2.gz WTKBDANQDDWQSV-VXGBXAGGSA-N 0 3 208.349 3.047 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@H]1C1CCC1 ZINC000342995967 135344050 /nfs/dbraw/zinc/34/40/50/135344050.db2.gz ALTJQIPJGHJEMU-INIZCTEOSA-N 0 3 240.350 3.323 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@@H]1C1CCC1 ZINC000342995979 135343533 /nfs/dbraw/zinc/34/35/33/135343533.db2.gz ALTJQIPJGHJEMU-MRXNPFEDSA-N 0 3 240.350 3.323 20 30 BGEDHN N#CC1(CN(CC2CCCCC2)C2CC2)CC1 ZINC000343139803 135360810 /nfs/dbraw/zinc/36/08/10/135360810.db2.gz LYRKFTLMMBRIGF-UHFFFAOYSA-N 0 3 232.371 3.335 20 30 BGEDHN N#CC1(CN2CCC[C@H]2C2CCCCC2)CC1 ZINC000343140987 135360624 /nfs/dbraw/zinc/36/06/24/135360624.db2.gz KFSVCRVBTXTPIQ-AWEZNQCLSA-N 0 3 232.371 3.335 20 30 BGEDHN N#CC1(CN2CCC[C@@H]2C2CCCCC2)CC1 ZINC000343140988 135360372 /nfs/dbraw/zinc/36/03/72/135360372.db2.gz KFSVCRVBTXTPIQ-CQSZACIVSA-N 0 3 232.371 3.335 20 30 BGEDHN CC1CCC(N(CC2(C#N)CC2)C2CC2)CC1 ZINC000343152672 135359189 /nfs/dbraw/zinc/35/91/89/135359189.db2.gz XDVOVHJBDKQUGO-UHFFFAOYSA-N 0 3 232.371 3.333 20 30 BGEDHN C=C[C@H](C)NCc1cc2cc(OC)ccc2o1 ZINC000343190641 386218497 /nfs/dbraw/zinc/21/84/97/386218497.db2.gz STXOKDNLQJGKCN-JTQLQIEISA-N 0 3 231.295 3.106 20 30 BGEDHN C=C[C@@H](C)NCc1cc2cc(OC)ccc2o1 ZINC000343190642 386218611 /nfs/dbraw/zinc/21/86/11/386218611.db2.gz STXOKDNLQJGKCN-SNVBAGLBSA-N 0 3 231.295 3.106 20 30 BGEDHN CCC(CC)CN(CC)CC1(C#N)CC1 ZINC000343256162 353251761 /nfs/dbraw/zinc/25/17/61/353251761.db2.gz YPNNONDPCDBKAM-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CCCCCN(CC1(C#N)CC1)C(C)C ZINC000343262961 353273060 /nfs/dbraw/zinc/27/30/60/353273060.db2.gz WQZXGEDWTCZYFW-UHFFFAOYSA-N 0 3 208.349 3.191 20 30 BGEDHN CCCCN(CCCC)CC1(C#N)CC1 ZINC000343263665 353273863 /nfs/dbraw/zinc/27/38/63/353273863.db2.gz YVDMIGVBPOBYFV-UHFFFAOYSA-N 0 3 208.349 3.192 20 30 BGEDHN CCC[C@@H]1[C@H](C)CCCN1CC1(C#N)CC1 ZINC000343311072 353583499 /nfs/dbraw/zinc/58/34/99/353583499.db2.gz NJVKTFSNNZRNSQ-CHWSQXEVSA-N 0 3 220.360 3.191 20 30 BGEDHN CCC[C@H]1[C@H](C)CCCN1CC1(C#N)CC1 ZINC000343311073 353577001 /nfs/dbraw/zinc/57/70/01/353577001.db2.gz NJVKTFSNNZRNSQ-OLZOCXBDSA-N 0 3 220.360 3.191 20 30 BGEDHN CCC[C@@H]1[C@@H](C)CCCN1CC1(C#N)CC1 ZINC000343311074 353577397 /nfs/dbraw/zinc/57/73/97/353577397.db2.gz NJVKTFSNNZRNSQ-QWHCGFSZSA-N 0 3 220.360 3.191 20 30 BGEDHN CCC[C@H]1[C@@H](C)CCCN1CC1(C#N)CC1 ZINC000343311075 353577132 /nfs/dbraw/zinc/57/71/32/353577132.db2.gz NJVKTFSNNZRNSQ-STQMWFEESA-N 0 3 220.360 3.191 20 30 BGEDHN CCC1CCC(N(C)CC2(C#N)CC2)CC1 ZINC000343312466 135605003 /nfs/dbraw/zinc/60/50/03/135605003.db2.gz BPQPGPCAKOVKDK-UHFFFAOYSA-N 0 3 220.360 3.191 20 30 BGEDHN CC[C@@H](C)[C@H](C)N(CC1(C#N)CC1)C1CC1 ZINC000343312965 353618750 /nfs/dbraw/zinc/61/87/50/353618750.db2.gz FMOVNMOQOQFMKV-NEPJUHHUSA-N 0 3 220.360 3.189 20 30 BGEDHN CC[C@H](C)[C@@H](C)N(CC1(C#N)CC1)C1CC1 ZINC000343312966 353618645 /nfs/dbraw/zinc/61/86/45/353618645.db2.gz FMOVNMOQOQFMKV-NWDGAFQWSA-N 0 3 220.360 3.189 20 30 BGEDHN CC[C@H](C)[C@H](C)N(CC1(C#N)CC1)C1CC1 ZINC000343312967 353619143 /nfs/dbraw/zinc/61/91/43/353619143.db2.gz FMOVNMOQOQFMKV-RYUDHWBXSA-N 0 3 220.360 3.189 20 30 BGEDHN CC[C@@H](C)[C@@H](C)N(CC1(C#N)CC1)C1CC1 ZINC000343312968 353619023 /nfs/dbraw/zinc/61/90/23/353619023.db2.gz FMOVNMOQOQFMKV-VXGBXAGGSA-N 0 3 220.360 3.189 20 30 BGEDHN N#CC1(CN2CCCC3(CCCCC3)C2)CC1 ZINC000343316917 181029021 /nfs/dbraw/zinc/02/90/21/181029021.db2.gz UGWCDGACWKKHHS-UHFFFAOYSA-N 0 3 232.371 3.336 20 30 BGEDHN CC(C)[C@@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000343317318 353659084 /nfs/dbraw/zinc/65/90/84/353659084.db2.gz UWPOKLXKQQRKCA-CYBMUJFWSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)[C@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000343317321 353659167 /nfs/dbraw/zinc/65/91/67/353659167.db2.gz UWPOKLXKQQRKCA-ZDUSSCGKSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)(C)C[C@H]1CCCN1CC1(C#N)CC1 ZINC000343319389 353673393 /nfs/dbraw/zinc/67/33/93/353673393.db2.gz ZXACOIIOYJDTAH-GFCCVEGCSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)(C)C[C@@H]1CCCN1CC1(C#N)CC1 ZINC000343319390 353673129 /nfs/dbraw/zinc/67/31/29/353673129.db2.gz ZXACOIIOYJDTAH-LBPRGKRZSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)(C)[C@@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000343320223 353675738 /nfs/dbraw/zinc/67/57/38/353675738.db2.gz KNXJTTLJAQOWEG-CYBMUJFWSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(C)[C@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000343320224 353675543 /nfs/dbraw/zinc/67/55/43/353675543.db2.gz KNXJTTLJAQOWEG-ZDUSSCGKSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(CCc1ccccc1)NCC1(C#N)CC1 ZINC000343320841 353677076 /nfs/dbraw/zinc/67/70/76/353677076.db2.gz NCUIRYRZZRSZSE-UHFFFAOYSA-N 0 3 242.366 3.291 20 30 BGEDHN CC(C)CN(CC(C)(C)C)CC1(C#N)CC1 ZINC000343322633 353692671 /nfs/dbraw/zinc/69/26/71/353692671.db2.gz RKSYEKFLVPNROO-UHFFFAOYSA-N 0 3 222.376 3.294 20 30 BGEDHN CCC(C)(C)[C@H]1CCCN1CC1(C#N)CC1 ZINC000343325475 353715558 /nfs/dbraw/zinc/71/55/58/353715558.db2.gz MUYFCFOVLGAIJJ-GFCCVEGCSA-N 0 3 220.360 3.191 20 30 BGEDHN CCC(C)(C)[C@@H]1CCCN1CC1(C#N)CC1 ZINC000343325476 353715758 /nfs/dbraw/zinc/71/57/58/353715758.db2.gz MUYFCFOVLGAIJJ-LBPRGKRZSA-N 0 3 220.360 3.191 20 30 BGEDHN Cc1cc([C@@H](NCCCC#N)C2CC2)ccc1F ZINC000343389832 353876104 /nfs/dbraw/zinc/87/61/04/353876104.db2.gz RPWLVLUEZGWUJP-HNNXBMFYSA-N 0 3 246.329 3.479 20 30 BGEDHN Cc1cc([C@H](NCCCC#N)C2CC2)ccc1F ZINC000343389833 353876395 /nfs/dbraw/zinc/87/63/95/353876395.db2.gz RPWLVLUEZGWUJP-OAHLLOKOSA-N 0 3 246.329 3.479 20 30 BGEDHN C=CCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000343435323 353885865 /nfs/dbraw/zinc/88/58/65/353885865.db2.gz ANAHINMMRGNQKZ-UHFFFAOYSA-N 0 3 241.338 3.085 20 30 BGEDHN C=CCCN(C)Cc1ccccc1OCC=C ZINC000343436266 353885799 /nfs/dbraw/zinc/88/57/99/353885799.db2.gz CDYCQBUDHMOLIX-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN C=CCCN(C)Cc1cc2c(cccc2F)[nH]1 ZINC000343438498 353886715 /nfs/dbraw/zinc/88/67/15/353886715.db2.gz FLXKOOSMXHAFAN-UHFFFAOYSA-N 0 3 232.302 3.315 20 30 BGEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccsc1 ZINC000343438512 353886823 /nfs/dbraw/zinc/88/68/23/353886823.db2.gz FOSZMNRFKQRTHY-UHFFFAOYSA-N 0 3 247.367 3.146 20 30 BGEDHN C=CCCN(C)Cc1c[nH]nc1-c1cccs1 ZINC000343440208 353887879 /nfs/dbraw/zinc/88/78/79/353887879.db2.gz IWCNVEWMDBZZLT-UHFFFAOYSA-N 0 3 247.367 3.146 20 30 BGEDHN C=CCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000343441935 353888437 /nfs/dbraw/zinc/88/84/37/353888437.db2.gz LSTOELKNWZKYLE-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCCN(C)Cc1cnc(C2CCC2)s1 ZINC000343443687 353890242 /nfs/dbraw/zinc/89/02/42/353890242.db2.gz NQLSUMDPCCYYQB-UHFFFAOYSA-N 0 3 236.384 3.419 20 30 BGEDHN C=CCCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343468034 353899454 /nfs/dbraw/zinc/89/94/54/353899454.db2.gz KZIOYSIWAINSGK-CLFYSBASSA-N 0 3 246.310 3.116 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCSc2ccc(OC)cc21 ZINC000343472611 353900201 /nfs/dbraw/zinc/90/02/01/353900201.db2.gz VDRDNKJAXVPSSV-GWCFXTLKSA-N 0 3 249.379 3.396 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000343472613 353900657 /nfs/dbraw/zinc/90/06/57/353900657.db2.gz VDRDNKJAXVPSSV-GXFFZTMASA-N 0 3 249.379 3.396 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCSc2ccc(OC)cc21 ZINC000343472615 353900249 /nfs/dbraw/zinc/90/02/49/353900249.db2.gz VDRDNKJAXVPSSV-MFKMUULPSA-N 0 3 249.379 3.396 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000343472617 353900373 /nfs/dbraw/zinc/90/03/73/353900373.db2.gz VDRDNKJAXVPSSV-ZWNOBZJWSA-N 0 3 249.379 3.396 20 30 BGEDHN C=CCCN(C)Cc1cnc(C(C)C)s1 ZINC000343475587 353902092 /nfs/dbraw/zinc/90/20/92/353902092.db2.gz UGCUYRBWFFNHAN-UHFFFAOYSA-N 0 3 224.373 3.274 20 30 BGEDHN C=CCCN(C)Cc1ncccc1C(F)(F)F ZINC000343477697 353903200 /nfs/dbraw/zinc/90/32/00/353903200.db2.gz WWXDFSNXWAZSKI-UHFFFAOYSA-N 0 3 244.260 3.108 20 30 BGEDHN C=CCCN(C)Cc1ccc(OC)c(OCC)c1 ZINC000343480772 353904104 /nfs/dbraw/zinc/90/41/04/353904104.db2.gz ZRIJJXIBQWKUFZ-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccco1 ZINC000343511623 343251699 /nfs/dbraw/zinc/25/16/99/343251699.db2.gz LUFFQJREXZXMQH-GFCCVEGCSA-N 0 3 240.306 3.045 20 30 BGEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccco1 ZINC000343511624 343251124 /nfs/dbraw/zinc/25/11/24/343251124.db2.gz LUFFQJREXZXMQH-LBPRGKRZSA-N 0 3 240.306 3.045 20 30 BGEDHN C=CC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343531990 353929833 /nfs/dbraw/zinc/92/98/33/353929833.db2.gz GVHYNMXLFJFMAS-UHFFFAOYSA-N 0 3 247.386 3.170 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000343581133 353938776 /nfs/dbraw/zinc/93/87/76/353938776.db2.gz LVPFPSPBJIWOOZ-CYBMUJFWSA-N 0 3 242.366 3.246 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000343581134 353938760 /nfs/dbraw/zinc/93/87/60/353938760.db2.gz LVPFPSPBJIWOOZ-ZDUSSCGKSA-N 0 3 242.366 3.246 20 30 BGEDHN CSCCCN(C)Cc1ccc(C#N)c(C)c1 ZINC000343680644 343277067 /nfs/dbraw/zinc/27/70/67/343277067.db2.gz PDKLSCOANHDLJE-UHFFFAOYSA-N 0 3 248.395 3.052 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1ccc(F)cc1C#N ZINC000343721944 343279140 /nfs/dbraw/zinc/27/91/40/343279140.db2.gz KYVCOZDQAYGMKK-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1ccc(F)cc1C#N ZINC000343721945 343278871 /nfs/dbraw/zinc/27/88/71/343278871.db2.gz KYVCOZDQAYGMKK-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000343727028 343279473 /nfs/dbraw/zinc/27/94/73/343279473.db2.gz FCAZLFWXEJTOQA-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000343727035 343279763 /nfs/dbraw/zinc/27/97/63/343279763.db2.gz FCAZLFWXEJTOQA-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN CCCN(CCC)Cc1ccc(F)cc1C#N ZINC000343731596 343279488 /nfs/dbraw/zinc/27/94/88/343279488.db2.gz KWRNNVOWZAVMRA-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN C=CCN(CCc1cccc(F)c1F)C1CC1 ZINC000343767664 353980931 /nfs/dbraw/zinc/98/09/31/353980931.db2.gz OMIAAJYQEYQADE-UHFFFAOYSA-N 0 3 237.293 3.158 20 30 BGEDHN C=C(CNCc1ccc(C)cn1)c1ccccc1 ZINC000343805888 388502691 /nfs/dbraw/zinc/50/26/91/388502691.db2.gz IESCYCCKTYIQIF-UHFFFAOYSA-N 0 3 238.334 3.193 20 30 BGEDHN C=C(CNCc1scnc1C)c1ccccc1 ZINC000343806437 354010544 /nfs/dbraw/zinc/01/05/44/354010544.db2.gz JXIXJKXUSPITKM-UHFFFAOYSA-N 0 3 244.363 3.255 20 30 BGEDHN C=CCCCCCN(C)Cc1cncc(OC)c1 ZINC000343813506 354012352 /nfs/dbraw/zinc/01/23/52/354012352.db2.gz LWTMEPDNQIDXDW-UHFFFAOYSA-N 0 3 248.370 3.268 20 30 BGEDHN C=CCN(C)[C@@H](CC)c1cccc(OC)c1 ZINC000343937219 354047474 /nfs/dbraw/zinc/04/74/74/354047474.db2.gz JVDYXIOKSCVFOP-AWEZNQCLSA-N 0 3 219.328 3.264 20 30 BGEDHN C=CCN(C)[C@H](CC)c1cccc(OC)c1 ZINC000343937220 354047667 /nfs/dbraw/zinc/04/76/67/354047667.db2.gz JVDYXIOKSCVFOP-CQSZACIVSA-N 0 3 219.328 3.264 20 30 BGEDHN CC(C)CC1(C)CCN(CCCC#N)CC1 ZINC000343992649 354064033 /nfs/dbraw/zinc/06/40/33/354064033.db2.gz NHKYFRJUGDJQSB-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CN(Cc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000344049219 343321889 /nfs/dbraw/zinc/32/18/89/343321889.db2.gz KCWFIJVDDNZGGP-AWEZNQCLSA-N 0 3 240.350 3.346 20 30 BGEDHN CN(Cc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000344049221 343321796 /nfs/dbraw/zinc/32/17/96/343321796.db2.gz KCWFIJVDDNZGGP-CQSZACIVSA-N 0 3 240.350 3.346 20 30 BGEDHN C=CCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060885 354129136 /nfs/dbraw/zinc/12/91/36/354129136.db2.gz MKRGBKCJMYFAEV-DOMZBBRYSA-N 0 3 231.339 3.264 20 30 BGEDHN C=CCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060886 354128584 /nfs/dbraw/zinc/12/85/84/354128584.db2.gz MKRGBKCJMYFAEV-IUODEOHRSA-N 0 3 231.339 3.264 20 30 BGEDHN C=CCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060887 354128625 /nfs/dbraw/zinc/12/86/25/354128625.db2.gz MKRGBKCJMYFAEV-SWLSCSKDSA-N 0 3 231.339 3.264 20 30 BGEDHN C=CCN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060888 354128810 /nfs/dbraw/zinc/12/88/10/354128810.db2.gz MKRGBKCJMYFAEV-WFASDCNBSA-N 0 3 231.339 3.264 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@H](C2CC2)C1 ZINC000344082577 343323131 /nfs/dbraw/zinc/32/31/31/343323131.db2.gz DQLJGTBIHFXMFB-HNNXBMFYSA-N 0 3 240.350 3.180 20 30 BGEDHN N#Cc1ccccc1CN1CCC[C@@H](C2CC2)C1 ZINC000344082579 343322961 /nfs/dbraw/zinc/32/29/61/343322961.db2.gz DQLJGTBIHFXMFB-OAHLLOKOSA-N 0 3 240.350 3.180 20 30 BGEDHN CS[C@@H]1CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000344083108 343323204 /nfs/dbraw/zinc/32/32/04/343323204.db2.gz ZUHZUOVDWFIARN-DDTOSNHZSA-N 0 3 246.379 3.103 20 30 BGEDHN CS[C@@H]1CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000344083110 135741600 /nfs/dbraw/zinc/74/16/00/135741600.db2.gz ZUHZUOVDWFIARN-LERXQTSPSA-N 0 3 246.379 3.103 20 30 BGEDHN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000344083112 343322973 /nfs/dbraw/zinc/32/29/73/343322973.db2.gz ZUHZUOVDWFIARN-LEWSCRJBSA-N 0 3 246.379 3.103 20 30 BGEDHN CS[C@@H]1CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000344083114 343322951 /nfs/dbraw/zinc/32/29/51/343322951.db2.gz ZUHZUOVDWFIARN-ZLKJLUDKSA-N 0 3 246.379 3.103 20 30 BGEDHN C[C@H]1CN(Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096865 343325483 /nfs/dbraw/zinc/32/54/83/343325483.db2.gz XDBMISLEWSSNMM-CYBMUJFWSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H]1CN(Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096867 343325779 /nfs/dbraw/zinc/32/57/79/343325779.db2.gz XDBMISLEWSSNMM-ZDUSSCGKSA-N 0 3 242.366 3.426 20 30 BGEDHN C=C(CC)CN(C)Cc1ccccc1N(C)C ZINC000344116011 354142612 /nfs/dbraw/zinc/14/26/12/354142612.db2.gz AOCRMPVTIHIJGJ-UHFFFAOYSA-N 0 3 232.371 3.151 20 30 BGEDHN C=CCC[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000344120208 354143038 /nfs/dbraw/zinc/14/30/38/354143038.db2.gz CPYYIODKZAGMMZ-GWCFXTLKSA-N 0 3 235.302 3.204 20 30 BGEDHN C=CCC[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000344120209 354143062 /nfs/dbraw/zinc/14/30/62/354143062.db2.gz CPYYIODKZAGMMZ-GXFFZTMASA-N 0 3 235.302 3.204 20 30 BGEDHN C=CCC[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000344120211 354143619 /nfs/dbraw/zinc/14/36/19/354143619.db2.gz CPYYIODKZAGMMZ-MFKMUULPSA-N 0 3 235.302 3.204 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000344120212 354143569 /nfs/dbraw/zinc/14/35/69/354143569.db2.gz CPYYIODKZAGMMZ-ZWNOBZJWSA-N 0 3 235.302 3.204 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344249818 384111795 /nfs/dbraw/zinc/11/17/95/384111795.db2.gz YHQZJOPRSUTVKO-HNNXBMFYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344249823 384110827 /nfs/dbraw/zinc/11/08/27/384110827.db2.gz YHQZJOPRSUTVKO-OAHLLOKOSA-N 0 3 246.329 3.319 20 30 BGEDHN N#CCCCCNCc1cnc(C2CCC2)s1 ZINC000344266598 354194419 /nfs/dbraw/zinc/19/44/19/354194419.db2.gz VDERCYCGGBDDKK-UHFFFAOYSA-N 0 3 249.383 3.194 20 30 BGEDHN CC(C)COc1ccc(CNCCCC#N)cc1 ZINC000344297684 354210407 /nfs/dbraw/zinc/21/04/07/354210407.db2.gz CMEYYUIZUORBJK-UHFFFAOYSA-N 0 3 246.354 3.115 20 30 BGEDHN CC(C)COc1cccc(CNCCCC#N)c1 ZINC000344308007 354217011 /nfs/dbraw/zinc/21/70/11/354217011.db2.gz RNLGGLZVUJNTNC-UHFFFAOYSA-N 0 3 246.354 3.115 20 30 BGEDHN CCCCOc1ccc(CNCCCC#N)cc1 ZINC000344310153 354218930 /nfs/dbraw/zinc/21/89/30/354218930.db2.gz UKPCTIOGKIKEED-UHFFFAOYSA-N 0 3 246.354 3.259 20 30 BGEDHN N#CCCCNCc1cnc(C2CCCC2)s1 ZINC000344325439 354248380 /nfs/dbraw/zinc/24/83/80/354248380.db2.gz LZPVMOADJUMQTM-UHFFFAOYSA-N 0 3 249.383 3.194 20 30 BGEDHN C=CCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000344334470 534736382 /nfs/dbraw/zinc/73/63/82/534736382.db2.gz HGKDIXLTENNARX-LLVKDONJSA-N 0 3 232.302 3.314 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000344334476 354230164 /nfs/dbraw/zinc/23/01/64/354230164.db2.gz HGKDIXLTENNARX-NSHDSACASA-N 0 3 232.302 3.314 20 30 BGEDHN C=C(CC)CN(C)C[C@@H](C)c1nccs1 ZINC000344354641 354240954 /nfs/dbraw/zinc/24/09/54/354240954.db2.gz GAUIFMUHMBYNHT-LLVKDONJSA-N 0 3 224.373 3.145 20 30 BGEDHN C=C(CC)CN(C)C[C@H](C)c1nccs1 ZINC000344354642 354241297 /nfs/dbraw/zinc/24/12/97/354241297.db2.gz GAUIFMUHMBYNHT-NSHDSACASA-N 0 3 224.373 3.145 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)o1 ZINC000344360125 136231731 /nfs/dbraw/zinc/23/17/31/136231731.db2.gz PGAZIEQCYOYOIE-FRRDWIJNSA-N 0 3 244.338 3.210 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC000344361095 136231860 /nfs/dbraw/zinc/23/18/60/136231860.db2.gz PGAZIEQCYOYOIE-JHJVBQTASA-N 0 3 244.338 3.210 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000344361097 136231925 /nfs/dbraw/zinc/23/19/25/136231925.db2.gz PGAZIEQCYOYOIE-RWMBFGLXSA-N 0 3 244.338 3.210 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000344361099 136231737 /nfs/dbraw/zinc/23/17/37/136231737.db2.gz PGAZIEQCYOYOIE-YNEHKIRRSA-N 0 3 244.338 3.210 20 30 BGEDHN Cc1cc2cc(CNCCCC#N)oc2cc1C ZINC000344371902 354245821 /nfs/dbraw/zinc/24/58/21/354245821.db2.gz ZWQXDRNHUUMYMC-UHFFFAOYSA-N 0 3 242.322 3.443 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(C#N)cc1F ZINC000344377572 354256230 /nfs/dbraw/zinc/25/62/30/354256230.db2.gz NQBDUSWDRSYNDQ-LLVKDONJSA-N 0 3 232.302 3.314 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000344377574 354256199 /nfs/dbraw/zinc/25/61/99/354256199.db2.gz NQBDUSWDRSYNDQ-NSHDSACASA-N 0 3 232.302 3.314 20 30 BGEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389993 177263119 /nfs/dbraw/zinc/26/31/19/177263119.db2.gz CWSGHYIXOJMARW-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389995 176302550 /nfs/dbraw/zinc/30/25/50/176302550.db2.gz CWSGHYIXOJMARW-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCCN(CCOC)Cc1cccs1 ZINC000344502207 354289834 /nfs/dbraw/zinc/28/98/34/354289834.db2.gz PCVIPKZTAVAGHQ-UHFFFAOYSA-N 0 3 239.384 3.163 20 30 BGEDHN C=C1CCN(CCSc2ccccc2)CC1 ZINC000344578649 354309641 /nfs/dbraw/zinc/30/96/41/354309641.db2.gz ICJYVLDZTCEROF-UHFFFAOYSA-N 0 3 233.380 3.431 20 30 BGEDHN C=CCCCN1CCc2ccc(OC)cc2C1 ZINC000344590573 354321587 /nfs/dbraw/zinc/32/15/87/354321587.db2.gz XJZUZEFKLQYLAO-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN Cc1csc(CNCc2cccc(C#N)c2)c1 ZINC000344607874 384194702 /nfs/dbraw/zinc/19/47/02/384194702.db2.gz GRIWEOXUGDZKSB-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN C=CCCCN1CCC[C@@H]1c1cc(C)no1 ZINC000344608810 354325034 /nfs/dbraw/zinc/32/50/34/354325034.db2.gz WSJRYPYVWMUFSJ-GFCCVEGCSA-N 0 3 220.316 3.086 20 30 BGEDHN C=CCCCN1CCC[C@H]1c1cc(C)no1 ZINC000344608811 354324923 /nfs/dbraw/zinc/32/49/23/354324923.db2.gz WSJRYPYVWMUFSJ-LBPRGKRZSA-N 0 3 220.316 3.086 20 30 BGEDHN Cc1csc(CNCc2cc(C#N)cs2)c1 ZINC000344612591 343422165 /nfs/dbraw/zinc/42/21/65/343422165.db2.gz NRFGXQGBVJDOSP-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN C=CCCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000344615694 354326981 /nfs/dbraw/zinc/32/69/81/354326981.db2.gz ZYLVIJPFFZPBQS-INIZCTEOSA-N 0 3 245.366 3.198 20 30 BGEDHN C=CCCCN(C)C[C@H]1OCCc2ccccc21 ZINC000344615695 354326941 /nfs/dbraw/zinc/32/69/41/354326941.db2.gz ZYLVIJPFFZPBQS-MRXNPFEDSA-N 0 3 245.366 3.198 20 30 BGEDHN Cc1csc(CNCc2ccc(C#N)s2)c1 ZINC000344618585 384197892 /nfs/dbraw/zinc/19/78/92/384197892.db2.gz VTTWGIVOLGDAJG-UHFFFAOYSA-N 0 3 248.376 3.280 20 30 BGEDHN Cc1csc(CNCc2ccc(C#N)cc2)c1 ZINC000344619947 384197485 /nfs/dbraw/zinc/19/74/85/384197485.db2.gz YEOIGDXUWLOJGD-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN C=CCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000344620444 354327677 /nfs/dbraw/zinc/32/76/77/354327677.db2.gz IZGILARNEDFIMT-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=CCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000344620445 354327573 /nfs/dbraw/zinc/32/75/73/354327573.db2.gz IZGILARNEDFIMT-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000344695487 135789230 /nfs/dbraw/zinc/78/92/30/135789230.db2.gz GGOIXDIMOMAGBW-DMRZNYOFSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000344695493 354335766 /nfs/dbraw/zinc/33/57/66/354335766.db2.gz GGOIXDIMOMAGBW-DRPJVOAASA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000344695497 354335697 /nfs/dbraw/zinc/33/56/97/354335697.db2.gz GGOIXDIMOMAGBW-DTZQCDIJSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000344695501 354335735 /nfs/dbraw/zinc/33/57/35/354335735.db2.gz GGOIXDIMOMAGBW-LCGIIJARSA-N 0 3 242.366 3.460 20 30 BGEDHN C=C[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000344784907 354368438 /nfs/dbraw/zinc/36/84/38/354368438.db2.gz AFCXWJOBFRJCCN-CYBMUJFWSA-N 0 3 244.338 3.033 20 30 BGEDHN C=C[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000344784908 354368602 /nfs/dbraw/zinc/36/86/02/354368602.db2.gz AFCXWJOBFRJCCN-ZDUSSCGKSA-N 0 3 244.338 3.033 20 30 BGEDHN CC1(C)CN(Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000344888945 384333514 /nfs/dbraw/zinc/33/35/14/384333514.db2.gz KSZDYDTWAJHVJX-UHFFFAOYSA-N 0 3 246.354 3.409 20 30 BGEDHN C=CCCC[C@@H](C)NCc1ccc(COC)o1 ZINC000345142029 388510669 /nfs/dbraw/zinc/51/06/69/388510669.db2.gz DNSPDEQSEUSIRC-GFCCVEGCSA-N 0 3 237.343 3.260 20 30 BGEDHN C=CCCC[C@H](C)NCc1ccc(COC)o1 ZINC000345142035 388510853 /nfs/dbraw/zinc/51/08/53/388510853.db2.gz DNSPDEQSEUSIRC-LBPRGKRZSA-N 0 3 237.343 3.260 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287906 386091959 /nfs/dbraw/zinc/09/19/59/386091959.db2.gz HDZATIWYSZXLJG-GHMZBOCLSA-N 0 3 235.375 3.172 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287907 534512979 /nfs/dbraw/zinc/51/29/79/534512979.db2.gz HDZATIWYSZXLJG-MNOVXSKESA-N 0 3 235.375 3.172 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287908 386091771 /nfs/dbraw/zinc/09/17/71/386091771.db2.gz HDZATIWYSZXLJG-QWRGUYRKSA-N 0 3 235.375 3.172 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287909 135894812 /nfs/dbraw/zinc/89/48/12/135894812.db2.gz HDZATIWYSZXLJG-WDEREUQCSA-N 0 3 235.375 3.172 20 30 BGEDHN C=CCN(CCC)Cc1ccc(F)cc1 ZINC000345387706 354647914 /nfs/dbraw/zinc/64/79/14/354647914.db2.gz WWEQTDROAQYWHY-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=CCN(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000345389112 354647841 /nfs/dbraw/zinc/64/78/41/354647841.db2.gz YSBFRCGZDCQRKV-HNNXBMFYSA-N 0 3 231.339 3.190 20 30 BGEDHN C=CCN(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000345389113 354647545 /nfs/dbraw/zinc/64/75/45/354647545.db2.gz YSBFRCGZDCQRKV-OAHLLOKOSA-N 0 3 231.339 3.190 20 30 BGEDHN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(C)C#N ZINC000345644485 535168420 /nfs/dbraw/zinc/16/84/20/535168420.db2.gz OUZMNJORTOBDSS-GXTWGEPZSA-N 0 3 244.338 3.002 20 30 BGEDHN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(C)C#N ZINC000345644486 354735776 /nfs/dbraw/zinc/73/57/76/354735776.db2.gz OUZMNJORTOBDSS-JSGCOSHPSA-N 0 3 244.338 3.002 20 30 BGEDHN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(C)C#N ZINC000345644487 354735829 /nfs/dbraw/zinc/73/58/29/354735829.db2.gz OUZMNJORTOBDSS-OCCSQVGLSA-N 0 3 244.338 3.002 20 30 BGEDHN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(C)C#N ZINC000345644488 354735742 /nfs/dbraw/zinc/73/57/42/354735742.db2.gz OUZMNJORTOBDSS-TZMCWYRMSA-N 0 3 244.338 3.002 20 30 BGEDHN C[C@@H]1Cc2ccccc2CN1CCC(C)(C)C#N ZINC000345712846 354741802 /nfs/dbraw/zinc/74/18/02/354741802.db2.gz OTEJRNSDUSMJSZ-CYBMUJFWSA-N 0 3 242.366 3.373 20 30 BGEDHN C[C@H]1Cc2ccccc2CN1CCC(C)(C)C#N ZINC000345712849 354741624 /nfs/dbraw/zinc/74/16/24/354741624.db2.gz OTEJRNSDUSMJSZ-ZDUSSCGKSA-N 0 3 242.366 3.373 20 30 BGEDHN C=CCN(CCC(C)(C)OC)Cc1ccccc1 ZINC000345778182 354761525 /nfs/dbraw/zinc/76/15/25/354761525.db2.gz VVVCNBRPFBPWKW-UHFFFAOYSA-N 0 3 247.382 3.490 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CN(CCC#N)CC1CC1 ZINC000346148123 354871983 /nfs/dbraw/zinc/87/19/83/354871983.db2.gz VSPUZJUKQQUCGE-DZGCQCFKSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN(CCC#N)CC1CC1 ZINC000346148124 354871838 /nfs/dbraw/zinc/87/18/38/354871838.db2.gz VSPUZJUKQQUCGE-HIFRSBDPSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN(CCC#N)CC1CC1 ZINC000346148125 354871528 /nfs/dbraw/zinc/87/15/28/354871528.db2.gz VSPUZJUKQQUCGE-UKRRQHHQSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@H]1CCCC[C@H]1CN(CCC#N)CC1CC1 ZINC000346148126 354871786 /nfs/dbraw/zinc/87/17/86/354871786.db2.gz VSPUZJUKQQUCGE-ZFWWWQNUSA-N 0 3 234.387 3.438 20 30 BGEDHN CCN(CCC#N)C[C@H]1CCCC[C@H]1C ZINC000346198832 136233762 /nfs/dbraw/zinc/23/37/62/136233762.db2.gz FMVBHWLMSZDHGP-CHWSQXEVSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000346198834 136233851 /nfs/dbraw/zinc/23/38/51/136233851.db2.gz FMVBHWLMSZDHGP-OLZOCXBDSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000346198836 136233909 /nfs/dbraw/zinc/23/39/09/136233909.db2.gz FMVBHWLMSZDHGP-QWHCGFSZSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000346198838 136233747 /nfs/dbraw/zinc/23/37/47/136233747.db2.gz FMVBHWLMSZDHGP-STQMWFEESA-N 0 3 208.349 3.048 20 30 BGEDHN CC[C@H]1CCC[C@H](CN(CC)CCC#N)C1 ZINC000346215627 354873546 /nfs/dbraw/zinc/87/35/46/354873546.db2.gz QIHPFXFIWIXIFA-KBPBESRZSA-N 0 3 222.376 3.438 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN(CC)CCC#N)C1 ZINC000346215628 354873394 /nfs/dbraw/zinc/87/33/94/354873394.db2.gz QIHPFXFIWIXIFA-KGLIPLIRSA-N 0 3 222.376 3.438 20 30 BGEDHN CC[C@H]1CCC[C@@H](CN(CC)CCC#N)C1 ZINC000346215629 354873796 /nfs/dbraw/zinc/87/37/96/354873796.db2.gz QIHPFXFIWIXIFA-UONOGXRCSA-N 0 3 222.376 3.438 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN(CC)CCC#N)C1 ZINC000346215630 354873416 /nfs/dbraw/zinc/87/34/16/354873416.db2.gz QIHPFXFIWIXIFA-ZIAGYGMSSA-N 0 3 222.376 3.438 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000346328008 356428965 /nfs/dbraw/zinc/42/89/65/356428965.db2.gz MGLRTBLQAAPKAC-LLVKDONJSA-N 0 3 232.327 3.019 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000346328012 356429185 /nfs/dbraw/zinc/42/91/85/356429185.db2.gz MGLRTBLQAAPKAC-NSHDSACASA-N 0 3 232.327 3.019 20 30 BGEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CC(C)(C)C1 ZINC000346335811 356430080 /nfs/dbraw/zinc/43/00/80/356430080.db2.gz OYEUAWVOXLUFHH-LLVKDONJSA-N 0 3 248.395 3.488 20 30 BGEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CC(C)(C)C1 ZINC000346335832 356430482 /nfs/dbraw/zinc/43/04/82/356430482.db2.gz OYEUAWVOXLUFHH-NSHDSACASA-N 0 3 248.395 3.488 20 30 BGEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CC=CCC1 ZINC000346343058 356430133 /nfs/dbraw/zinc/43/01/33/356430133.db2.gz VHLYEHJPUYGOPW-GFCCVEGCSA-N 0 3 246.379 3.408 20 30 BGEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CC=CCC1 ZINC000346343059 356430316 /nfs/dbraw/zinc/43/03/16/356430316.db2.gz VHLYEHJPUYGOPW-LBPRGKRZSA-N 0 3 246.379 3.408 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CC=CCC1 ZINC000346343495 354901396 /nfs/dbraw/zinc/90/13/96/354901396.db2.gz ZIZOPRZUIFUZGY-GFCCVEGCSA-N 0 3 246.379 3.408 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CC=CCC1 ZINC000346343496 356429715 /nfs/dbraw/zinc/42/97/15/356429715.db2.gz ZIZOPRZUIFUZGY-LBPRGKRZSA-N 0 3 246.379 3.408 20 30 BGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000346398956 356456817 /nfs/dbraw/zinc/45/68/17/356456817.db2.gz XNOPDPCAPNYMBF-LLVKDONJSA-N 0 3 232.327 3.019 20 30 BGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000346398957 356456744 /nfs/dbraw/zinc/45/67/44/356456744.db2.gz XNOPDPCAPNYMBF-NSHDSACASA-N 0 3 232.327 3.019 20 30 BGEDHN CCC1(CC)CCCN(CCC#N)CC1 ZINC000346477819 354956734 /nfs/dbraw/zinc/95/67/34/354956734.db2.gz DNBSBPAXXKRGBB-UHFFFAOYSA-N 0 3 208.349 3.192 20 30 BGEDHN Cc1ccccc1CN(CCCC#N)C1CC1 ZINC000346486742 354958573 /nfs/dbraw/zinc/95/85/73/354958573.db2.gz FSAJKPIZLNANDA-UHFFFAOYSA-N 0 3 228.339 3.263 20 30 BGEDHN C=C(C)CN(CCOC)[C@@H](C)c1ccccc1 ZINC000346737411 355090405 /nfs/dbraw/zinc/09/04/05/355090405.db2.gz DJGKBACHUINNQW-AWEZNQCLSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(C)CN(CCOC)[C@H](C)c1ccccc1 ZINC000346737412 355090344 /nfs/dbraw/zinc/09/03/44/355090344.db2.gz DJGKBACHUINNQW-CQSZACIVSA-N 0 3 233.355 3.272 20 30 BGEDHN N#CCCCN[C@H]1CCCc2ccc(F)cc21 ZINC000346793425 135971145 /nfs/dbraw/zinc/97/11/45/135971145.db2.gz KYHKCRYOKCDOSO-AWEZNQCLSA-N 0 3 232.302 3.096 20 30 BGEDHN N#CCCCN[C@@H]1CCCc2ccc(F)cc21 ZINC000346793427 355106578 /nfs/dbraw/zinc/10/65/78/355106578.db2.gz KYHKCRYOKCDOSO-CQSZACIVSA-N 0 3 232.302 3.096 20 30 BGEDHN Cc1ccc2c(c1)[C@@H](NCCCC#N)CCCO2 ZINC000346807745 355110985 /nfs/dbraw/zinc/11/09/85/355110985.db2.gz CUXBJZGJJHECTB-AWEZNQCLSA-N 0 3 244.338 3.102 20 30 BGEDHN Cc1ccc2c(c1)[C@H](NCCCC#N)CCCO2 ZINC000346807746 355111101 /nfs/dbraw/zinc/11/11/01/355111101.db2.gz CUXBJZGJJHECTB-CQSZACIVSA-N 0 3 244.338 3.102 20 30 BGEDHN CC[C@H](NCCCC#N)c1cccc(OC)c1 ZINC000346810612 535900212 /nfs/dbraw/zinc/90/02/12/535900212.db2.gz SDOPHSLZTZRUFW-AWEZNQCLSA-N 0 3 232.327 3.040 20 30 BGEDHN CC[C@@H](NCCCC#N)c1cccc(OC)c1 ZINC000346810613 355121284 /nfs/dbraw/zinc/12/12/84/355121284.db2.gz SDOPHSLZTZRUFW-CQSZACIVSA-N 0 3 232.327 3.040 20 30 BGEDHN C=CCN(CCOC1CCC1)Cc1ccccc1 ZINC000346867896 355156947 /nfs/dbraw/zinc/15/69/47/355156947.db2.gz LRFQZKXFSLTNPO-UHFFFAOYSA-N 0 3 245.366 3.244 20 30 BGEDHN CC(C)(C#N)CCN[C@H](c1cccnc1)C1CC1 ZINC000346950112 355163621 /nfs/dbraw/zinc/16/36/21/355163621.db2.gz BNTKBDIUYDLMLU-AWEZNQCLSA-N 0 3 243.354 3.062 20 30 BGEDHN CC(C)(C#N)CCN[C@@H](c1cccnc1)C1CC1 ZINC000346950118 355163288 /nfs/dbraw/zinc/16/32/88/355163288.db2.gz BNTKBDIUYDLMLU-CQSZACIVSA-N 0 3 243.354 3.062 20 30 BGEDHN CCc1cnccc1[C@@H](C)NCCC(C)(C)C#N ZINC000346964962 355172358 /nfs/dbraw/zinc/17/23/58/355172358.db2.gz NCXHGFMMBYNPJF-GFCCVEGCSA-N 0 3 245.370 3.234 20 30 BGEDHN CCc1cnccc1[C@H](C)NCCC(C)(C)C#N ZINC000346964963 355172410 /nfs/dbraw/zinc/17/24/10/355172410.db2.gz NCXHGFMMBYNPJF-LBPRGKRZSA-N 0 3 245.370 3.234 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1cccnc1 ZINC000346977138 355211616 /nfs/dbraw/zinc/21/16/16/355211616.db2.gz IBECIAMUCTZTCJ-AWEZNQCLSA-N 0 3 216.328 3.185 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1cccnc1 ZINC000346977143 355211984 /nfs/dbraw/zinc/21/19/84/355211984.db2.gz IBECIAMUCTZTCJ-CQSZACIVSA-N 0 3 216.328 3.185 20 30 BGEDHN CCCCC1CCC(NC(=O)C(C)C#N)CC1 ZINC000347031193 386223988 /nfs/dbraw/zinc/22/39/88/386223988.db2.gz DXLNFKOULHRIKH-HIFPTAJRSA-N 0 3 236.359 3.011 20 30 BGEDHN CCCCC1CCC(NC(=O)C(C)C#N)CC1 ZINC000347031195 386222410 /nfs/dbraw/zinc/22/24/10/386222410.db2.gz DXLNFKOULHRIKH-PNESKVBLSA-N 0 3 236.359 3.011 20 30 BGEDHN CC[C@H](c1ccccc1)N(CC)C(=O)C(C)C#N ZINC000347031984 386224192 /nfs/dbraw/zinc/22/41/92/386224192.db2.gz FOYSQFXWQSGGBU-GXTWGEPZSA-N 0 3 244.338 3.146 20 30 BGEDHN CC[C@@H](c1ccccc1)N(CC)C(=O)C(C)C#N ZINC000347032017 386223456 /nfs/dbraw/zinc/22/34/56/386223456.db2.gz FOYSQFXWQSGGBU-JSGCOSHPSA-N 0 3 244.338 3.146 20 30 BGEDHN CC[C@@H](c1ccccc1)N(CC)C(=O)C(C)C#N ZINC000347032021 386223123 /nfs/dbraw/zinc/22/31/23/386223123.db2.gz FOYSQFXWQSGGBU-OCCSQVGLSA-N 0 3 244.338 3.146 20 30 BGEDHN CC[C@H](c1ccccc1)N(CC)C(=O)C(C)C#N ZINC000347032023 386223780 /nfs/dbraw/zinc/22/37/80/386223780.db2.gz FOYSQFXWQSGGBU-TZMCWYRMSA-N 0 3 244.338 3.146 20 30 BGEDHN C=CCCCN(C)Cc1c(C)cc(C)nc1OC ZINC000347045806 386229063 /nfs/dbraw/zinc/22/90/63/386229063.db2.gz GMYKXDFPQOCUNF-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN CC(C)c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347069471 386215026 /nfs/dbraw/zinc/21/50/26/386215026.db2.gz MZXXDMWMCRCBFP-NWDGAFQWSA-N 0 3 244.338 3.147 20 30 BGEDHN CC(C)c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347069482 386215185 /nfs/dbraw/zinc/21/51/85/386215185.db2.gz MZXXDMWMCRCBFP-VXGBXAGGSA-N 0 3 244.338 3.147 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000347106704 386252530 /nfs/dbraw/zinc/25/25/30/386252530.db2.gz IQCMWISKJYUDOO-NEPJUHHUSA-N 0 3 236.359 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000347106707 386253318 /nfs/dbraw/zinc/25/33/18/386253318.db2.gz IQCMWISKJYUDOO-NWDGAFQWSA-N 0 3 236.359 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000347106708 386252285 /nfs/dbraw/zinc/25/22/85/386252285.db2.gz IQCMWISKJYUDOO-RYUDHWBXSA-N 0 3 236.359 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000347106712 386251915 /nfs/dbraw/zinc/25/19/15/386251915.db2.gz IQCMWISKJYUDOO-VXGBXAGGSA-N 0 3 236.359 3.011 20 30 BGEDHN CC(C)(C#N)CCN1CC[C@@H](CC(F)(F)F)C1 ZINC000347125386 386238198 /nfs/dbraw/zinc/23/81/98/386238198.db2.gz QOHSAJIZPAOGCW-JTQLQIEISA-N 0 3 248.292 3.201 20 30 BGEDHN CC(C)(C#N)CCN1CC[C@H](CC(F)(F)F)C1 ZINC000347125389 386237903 /nfs/dbraw/zinc/23/79/03/386237903.db2.gz QOHSAJIZPAOGCW-SNVBAGLBSA-N 0 3 248.292 3.201 20 30 BGEDHN Cc1ccc(C(C)(C)NCCC(C)(C)C#N)cn1 ZINC000347188092 386254421 /nfs/dbraw/zinc/25/44/21/386254421.db2.gz FEDOBYTXOZEFOP-UHFFFAOYSA-N 0 3 245.370 3.155 20 30 BGEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCC(C)(C)C#N ZINC000347189327 386253957 /nfs/dbraw/zinc/25/39/57/386253957.db2.gz CRRSPZQSMRVHAW-NXEZZACHSA-N 0 3 248.292 3.199 20 30 BGEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCC(C)(C)C#N ZINC000347189331 386254358 /nfs/dbraw/zinc/25/43/58/386254358.db2.gz CRRSPZQSMRVHAW-UWVGGRQHSA-N 0 3 248.292 3.199 20 30 BGEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCC(C)(C)C#N ZINC000347189334 386254106 /nfs/dbraw/zinc/25/41/06/386254106.db2.gz CRRSPZQSMRVHAW-VHSXEESVSA-N 0 3 248.292 3.199 20 30 BGEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCC(C)(C)C#N ZINC000347189336 386256346 /nfs/dbraw/zinc/25/63/46/386256346.db2.gz CRRSPZQSMRVHAW-ZJUUUORDSA-N 0 3 248.292 3.199 20 30 BGEDHN Cc1ccc2c(c1)CCN(CCC(C)(C)C#N)C2 ZINC000347192878 386257104 /nfs/dbraw/zinc/25/71/04/386257104.db2.gz IGDVRIOBISFVOV-UHFFFAOYSA-N 0 3 242.366 3.293 20 30 BGEDHN C=C(CC)CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347202511 386281988 /nfs/dbraw/zinc/28/19/88/386281988.db2.gz FOPRXWZDSLFAEH-DZGCQCFKSA-N 0 3 230.355 3.431 20 30 BGEDHN C=C(CC)CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347202512 386280878 /nfs/dbraw/zinc/28/08/78/386280878.db2.gz FOPRXWZDSLFAEH-HIFRSBDPSA-N 0 3 230.355 3.431 20 30 BGEDHN C=C(CC)CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347202514 386281537 /nfs/dbraw/zinc/28/15/37/386281537.db2.gz FOPRXWZDSLFAEH-UKRRQHHQSA-N 0 3 230.355 3.431 20 30 BGEDHN C=C(CC)CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347202515 386282809 /nfs/dbraw/zinc/28/28/09/386282809.db2.gz FOPRXWZDSLFAEH-ZFWWWQNUSA-N 0 3 230.355 3.431 20 30 BGEDHN CCC(C)(C)N(C)Cc1ccc(C#N)cc1OC ZINC000347238781 387133901 /nfs/dbraw/zinc/13/39/01/387133901.db2.gz BFVKNSHJCCDCLC-UHFFFAOYSA-N 0 3 246.354 3.187 20 30 BGEDHN CC[C@@H](NCCC(C)(C)C#N)c1c(C)noc1C ZINC000347256763 386309012 /nfs/dbraw/zinc/30/90/12/386309012.db2.gz WVVKOZWMUWKKJN-GFCCVEGCSA-N 0 3 249.358 3.272 20 30 BGEDHN CC[C@H](NCCC(C)(C)C#N)c1c(C)noc1C ZINC000347256772 386308803 /nfs/dbraw/zinc/30/88/03/386308803.db2.gz WVVKOZWMUWKKJN-LBPRGKRZSA-N 0 3 249.358 3.272 20 30 BGEDHN CCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000347299805 387305074 /nfs/dbraw/zinc/30/50/74/387305074.db2.gz GOYFAEBNJHPUQS-GFCCVEGCSA-N 0 3 246.354 3.187 20 30 BGEDHN CCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000347299813 387304448 /nfs/dbraw/zinc/30/44/48/387304448.db2.gz GOYFAEBNJHPUQS-LBPRGKRZSA-N 0 3 246.354 3.187 20 30 BGEDHN CN(CC1(C#N)CC1)C1CCC(C)(C)CC1 ZINC000347425545 386400166 /nfs/dbraw/zinc/40/01/66/386400166.db2.gz KTFUAXIHNTUOSP-UHFFFAOYSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)C[C@H]1CCCCN1CC1(C#N)CC1 ZINC000347433641 386401791 /nfs/dbraw/zinc/40/17/91/386401791.db2.gz VCRPSUZJVZVYSS-CYBMUJFWSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)C[C@@H]1CCCCN1CC1(C#N)CC1 ZINC000347433645 386402394 /nfs/dbraw/zinc/40/23/94/386402394.db2.gz VCRPSUZJVZVYSS-ZDUSSCGKSA-N 0 3 220.360 3.191 20 30 BGEDHN CCCCC[C@@H]1CCCN1CC1(C#N)CC1 ZINC000347450776 386409487 /nfs/dbraw/zinc/40/94/87/386409487.db2.gz AYENALPTWQDYMN-CYBMUJFWSA-N 0 3 220.360 3.335 20 30 BGEDHN CCCCC[C@H]1CCCN1CC1(C#N)CC1 ZINC000347450778 386408914 /nfs/dbraw/zinc/40/89/14/386408914.db2.gz AYENALPTWQDYMN-ZDUSSCGKSA-N 0 3 220.360 3.335 20 30 BGEDHN CC[C@@H](C)[C@H]1CCCCN1CC1(C#N)CC1 ZINC000347452543 386409232 /nfs/dbraw/zinc/40/92/32/386409232.db2.gz 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C=CCCC[C@H](C)N[C@@H](COC)c1ccco1 ZINC000347613903 355235570 /nfs/dbraw/zinc/23/55/70/355235570.db2.gz FQAVBKKXTLXGRH-STQMWFEESA-N 0 3 237.343 3.302 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(CC)nc1 ZINC000347634686 355242986 /nfs/dbraw/zinc/24/29/86/355242986.db2.gz GNVDLQWONWQHRE-UHFFFAOYSA-N 0 3 218.344 3.042 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H](C)c1ccccc1 ZINC000347672317 355260801 /nfs/dbraw/zinc/26/08/01/355260801.db2.gz IZWGOJQXYNGQCB-CHWSQXEVSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H](C)c1ccccc1 ZINC000347672335 355260759 /nfs/dbraw/zinc/26/07/59/355260759.db2.gz IZWGOJQXYNGQCB-OLZOCXBDSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@H](C)c1ccccc1 ZINC000347672341 355261181 /nfs/dbraw/zinc/26/11/81/355261181.db2.gz IZWGOJQXYNGQCB-QWHCGFSZSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@H](c1ccccc1)[C@H](C)NCC1(C#N)CC1 ZINC000347672345 355260649 /nfs/dbraw/zinc/26/06/49/355260649.db2.gz IZWGOJQXYNGQCB-STQMWFEESA-N 0 3 228.339 3.072 20 30 BGEDHN 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CCN(Cc1ccccc1)[C@@H](C)CCC#N ZINC000351609032 535788791 /nfs/dbraw/zinc/78/87/91/535788791.db2.gz PYHNADIYDFEEFV-ZDUSSCGKSA-N 0 3 216.328 3.201 20 30 BGEDHN C=CCC[C@H](O)CN(C)Cc1ccc(CC)cc1 ZINC000351616748 356029619 /nfs/dbraw/zinc/02/96/19/356029619.db2.gz VAGNCSBFLGBLGL-INIZCTEOSA-N 0 3 247.382 3.008 20 30 BGEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(CC)cc1 ZINC000351616749 356030073 /nfs/dbraw/zinc/03/00/73/356030073.db2.gz VAGNCSBFLGBLGL-MRXNPFEDSA-N 0 3 247.382 3.008 20 30 BGEDHN C=CCCN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000351625584 136248840 /nfs/dbraw/zinc/24/88/40/136248840.db2.gz AKGRXJSQNOLSTM-UHFFFAOYSA-N 0 3 245.366 3.408 20 30 BGEDHN C=CCCCN(C)Cc1cc(OC)ccc1F ZINC000351638950 356040428 /nfs/dbraw/zinc/04/04/28/356040428.db2.gz BTNGUXMGHSNQPM-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=C(C)CCN[C@@H](COC)c1ccc(F)cc1 ZINC000351719939 356070580 /nfs/dbraw/zinc/07/05/80/356070580.db2.gz NBCXURTZFATSQJ-AWEZNQCLSA-N 0 3 237.318 3.069 20 30 BGEDHN C=C(C)CCN[C@H](COC)c1ccc(F)cc1 ZINC000351719941 356070624 /nfs/dbraw/zinc/07/06/24/356070624.db2.gz NBCXURTZFATSQJ-CQSZACIVSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCN(CCc1ccco1)CC[C@@H](C)F ZINC000351729714 136250124 /nfs/dbraw/zinc/25/01/24/136250124.db2.gz HRSHGXTUNHFDKR-GFCCVEGCSA-N 0 3 225.307 3.058 20 30 BGEDHN C=CCN(CCc1ccco1)CC[C@H](C)F ZINC000351729715 136249992 /nfs/dbraw/zinc/24/99/92/136249992.db2.gz HRSHGXTUNHFDKR-LBPRGKRZSA-N 0 3 225.307 3.058 20 30 BGEDHN C=C(C)CCN1CCc2cc(F)ccc2C1 ZINC000351730155 136250834 /nfs/dbraw/zinc/25/08/34/136250834.db2.gz LNVCFCVDVZKCEM-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN C=C(C)CCN1CCc2ccc(F)cc2C1 ZINC000351730929 136250390 /nfs/dbraw/zinc/25/03/90/136250390.db2.gz LVYBZOWGXUSQFY-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN C[C@@H](F)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000351751039 136250714 /nfs/dbraw/zinc/25/07/14/136250714.db2.gz FHMOZLTVWHJIBI-GFCCVEGCSA-N 0 3 246.329 3.271 20 30 BGEDHN C[C@H](F)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000351751040 136250678 /nfs/dbraw/zinc/25/06/78/136250678.db2.gz FHMOZLTVWHJIBI-LBPRGKRZSA-N 0 3 246.329 3.271 20 30 BGEDHN C=C(C)CCN1Cc2ccccc2OC[C@H]1C ZINC000351751528 136251493 /nfs/dbraw/zinc/25/14/93/136251493.db2.gz JBWHSVIJDYJUAN-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(C)CCN1Cc2ccccc2OC[C@@H]1C ZINC000351751529 136251378 /nfs/dbraw/zinc/25/13/78/136251378.db2.gz JBWHSVIJDYJUAN-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(C)CCN1CCc2cccc(F)c2C1 ZINC000351752001 136251284 /nfs/dbraw/zinc/25/12/84/136251284.db2.gz BMQGWIKKGBESRV-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000351755261 135094141 /nfs/dbraw/zinc/09/41/41/135094141.db2.gz HSMRCNJANRRYIO-LLVKDONJSA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000351755263 135094170 /nfs/dbraw/zinc/09/41/70/135094170.db2.gz HSMRCNJANRRYIO-NSHDSACASA-N 0 3 234.299 3.212 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000351758350 136251778 /nfs/dbraw/zinc/25/17/78/136251778.db2.gz PHPZCRMPMKRECM-LLVKDONJSA-N 0 3 232.302 3.314 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000351758351 136251950 /nfs/dbraw/zinc/25/19/50/136251950.db2.gz PHPZCRMPMKRECM-NSHDSACASA-N 0 3 232.302 3.314 20 30 BGEDHN C[C@H](NCCCCF)c1ccc(C#N)cc1F ZINC000351758825 136252263 /nfs/dbraw/zinc/25/22/63/136252263.db2.gz RCHIPFVMUIBRBZ-JTQLQIEISA-N 0 3 238.281 3.098 20 30 BGEDHN C[C@@H](NCCCCF)c1ccc(C#N)cc1F ZINC000351759223 136252325 /nfs/dbraw/zinc/25/23/25/136252325.db2.gz RCHIPFVMUIBRBZ-SNVBAGLBSA-N 0 3 238.281 3.098 20 30 BGEDHN C=C(C)CCN1CCc2cc(OC)c(F)cc2C1 ZINC000351760859 136252299 /nfs/dbraw/zinc/25/22/99/136252299.db2.gz OYRMUBKTBWBKLG-UHFFFAOYSA-N 0 3 249.329 3.159 20 30 BGEDHN C=C(C)CCN1CCc2c(F)cccc2C1 ZINC000351762426 136252864 /nfs/dbraw/zinc/25/28/64/136252864.db2.gz YVDSHXVAXGHCQA-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN C=C(C)CCN(C)Cc1ccccc1F ZINC000351843454 356095818 /nfs/dbraw/zinc/09/58/18/356095818.db2.gz FEPOTMVSGLMLOF-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=C(C)CCN1CCc2ccc(OC)cc2C1 ZINC000351846070 136257208 /nfs/dbraw/zinc/25/72/08/136257208.db2.gz ZMYRALANAVOYDV-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(C)CCN1CCC[C@@H]1c1cc(C)no1 ZINC000351848957 136257421 /nfs/dbraw/zinc/25/74/21/136257421.db2.gz CRMHORKIDPQZGH-GFCCVEGCSA-N 0 3 220.316 3.086 20 30 BGEDHN C=C(C)CCN1CCC[C@H]1c1cc(C)no1 ZINC000351848958 136257382 /nfs/dbraw/zinc/25/73/82/136257382.db2.gz CRMHORKIDPQZGH-LBPRGKRZSA-N 0 3 220.316 3.086 20 30 BGEDHN C=CCN(CC[C@@H](C)F)Cc1cccc(C#N)c1 ZINC000351856421 136258298 /nfs/dbraw/zinc/25/82/98/136258298.db2.gz KFLCXXAJXHNUGL-CYBMUJFWSA-N 0 3 246.329 3.294 20 30 BGEDHN C=CCN(CC[C@H](C)F)Cc1cccc(C#N)c1 ZINC000351856422 136258043 /nfs/dbraw/zinc/25/80/43/136258043.db2.gz KFLCXXAJXHNUGL-ZDUSSCGKSA-N 0 3 246.329 3.294 20 30 BGEDHN C=C(C)CCN(C)Cc1ccc(F)c(F)c1 ZINC000351864563 356100033 /nfs/dbraw/zinc/10/00/33/356100033.db2.gz YMKZIIPDAFGCKF-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=C(C)CCN(C)Cc1cccc(F)c1 ZINC000351913680 356197475 /nfs/dbraw/zinc/19/74/75/356197475.db2.gz VEJXQIBHQYGORY-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CCC1(F)F ZINC000352019904 134037372 /nfs/dbraw/zinc/03/73/72/134037372.db2.gz WUHULOJMUDAJAY-LLVKDONJSA-N 0 3 244.329 3.293 20 30 BGEDHN C[C@H]1CN(CCCC(C)(C)C#N)CCC1(F)F ZINC000352019905 134037137 /nfs/dbraw/zinc/03/71/37/134037137.db2.gz WUHULOJMUDAJAY-NSHDSACASA-N 0 3 244.329 3.293 20 30 BGEDHN CCC(CC)CN(CCC#N)CCCCF ZINC000352025133 535020898 /nfs/dbraw/zinc/02/08/98/535020898.db2.gz KJUHHDLHXYCMES-UHFFFAOYSA-N 0 3 228.355 3.388 20 30 BGEDHN C=C(C)CCN(CCC#N)CC(C)(C)C ZINC000352025192 134042314 /nfs/dbraw/zinc/04/23/14/134042314.db2.gz KUMAPWCRLDTUAN-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN C=C(C)CCN(CCC#N)CCC(C)C ZINC000352027773 134044451 /nfs/dbraw/zinc/04/44/51/134044451.db2.gz OVMRHBRAVFTOPJ-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN C=CCN(CCCCF)Cc1cccs1 ZINC000352096367 134062803 /nfs/dbraw/zinc/06/28/03/134062803.db2.gz FBMZSINXMGCZCE-UHFFFAOYSA-N 0 3 227.348 3.486 20 30 BGEDHN C=CCN(CC[C@@H](C)F)Cc1cccs1 ZINC000352097125 134063685 /nfs/dbraw/zinc/06/36/85/134063685.db2.gz NQBLTVVNQVXNGE-LLVKDONJSA-N 0 3 227.348 3.484 20 30 BGEDHN C=CCN(CC[C@H](C)F)Cc1cccs1 ZINC000352097126 134063725 /nfs/dbraw/zinc/06/37/25/134063725.db2.gz NQBLTVVNQVXNGE-NSHDSACASA-N 0 3 227.348 3.484 20 30 BGEDHN C=C(C)CCN(CCOC)Cc1cccs1 ZINC000352097687 134064726 /nfs/dbraw/zinc/06/47/26/134064726.db2.gz VPDDHJQKLGYNCR-UHFFFAOYSA-N 0 3 239.384 3.163 20 30 BGEDHN C=CCN(CC[C@@H](C)F)Cc1ccccc1 ZINC000352102701 134068053 /nfs/dbraw/zinc/06/80/53/134068053.db2.gz QLFSPUFWBWFAAJ-CYBMUJFWSA-N 0 3 221.319 3.423 20 30 BGEDHN C=CCN(CC[C@H](C)F)Cc1ccccc1 ZINC000352102702 134067872 /nfs/dbraw/zinc/06/78/72/134067872.db2.gz QLFSPUFWBWFAAJ-ZDUSSCGKSA-N 0 3 221.319 3.423 20 30 BGEDHN C=CCCN1CCc2c(Cl)cccc2C1 ZINC000352226558 134110205 /nfs/dbraw/zinc/11/02/05/134110205.db2.gz HPTRIGQEPKEBQQ-UHFFFAOYSA-N 0 3 221.731 3.274 20 30 BGEDHN C=CCCN(CC=C)Cc1ccc(OC)cc1 ZINC000352248211 134118530 /nfs/dbraw/zinc/11/85/30/134118530.db2.gz XZHSVQQWKHDYPP-UHFFFAOYSA-N 0 3 231.339 3.259 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1ccnn1CC ZINC000352342737 134141361 /nfs/dbraw/zinc/14/13/61/134141361.db2.gz XRUZNUFPXBTJKV-CYBMUJFWSA-N 0 3 235.375 3.080 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1ccnn1CC ZINC000352342738 134141612 /nfs/dbraw/zinc/14/16/12/134141612.db2.gz XRUZNUFPXBTJKV-ZDUSSCGKSA-N 0 3 235.375 3.080 20 30 BGEDHN CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000352370565 411171945 /nfs/dbraw/zinc/17/19/45/411171945.db2.gz ACCXUGBVZISCIG-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN C=C(C)CCN[C@H](C)c1nc2ccccc2n1C ZINC000352405943 134612100 /nfs/dbraw/zinc/61/21/00/134612100.db2.gz KMRAEHMGDONUPI-GFCCVEGCSA-N 0 3 243.354 3.190 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1nc2ccccc2n1C ZINC000352405944 344860549 /nfs/dbraw/zinc/86/05/49/344860549.db2.gz KMRAEHMGDONUPI-LBPRGKRZSA-N 0 3 243.354 3.190 20 30 BGEDHN C=C(C)CCN1Cc2ccc(C)cc2C1 ZINC000352409230 134144217 /nfs/dbraw/zinc/14/42/17/134144217.db2.gz YPFMQCWHXQSELP-UHFFFAOYSA-N 0 3 201.313 3.277 20 30 BGEDHN C=C[C@@H]1CCCCN1CCc1scnc1C ZINC000352420695 356346024 /nfs/dbraw/zinc/34/60/24/356346024.db2.gz FRRSUPOCBIMKJM-GFCCVEGCSA-N 0 3 236.384 3.035 20 30 BGEDHN C=C[C@H]1CCCCN1CCc1scnc1C ZINC000352420696 356346329 /nfs/dbraw/zinc/34/63/29/356346329.db2.gz FRRSUPOCBIMKJM-LBPRGKRZSA-N 0 3 236.384 3.035 20 30 BGEDHN C=C(C)CCN(C)Cc1cc(F)cc(F)c1 ZINC000352422017 533484174 /nfs/dbraw/zinc/48/41/74/533484174.db2.gz PAUNIKGFUNZYDS-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=CCCCCCN1CCC(F)(C#N)CC1 ZINC000352449371 134145400 /nfs/dbraw/zinc/14/54/00/134145400.db2.gz MFHKDWWAQCPASB-UHFFFAOYSA-N 0 3 224.323 3.060 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN2CCC(F)(C#N)CC2)C1 ZINC000352450288 134145486 /nfs/dbraw/zinc/14/54/86/134145486.db2.gz QUJUUYCCYZYFIG-CHWSQXEVSA-N 0 3 238.350 3.140 20 30 BGEDHN C[C@@H]1CCC[C@H](CN2CCC(F)(C#N)CC2)C1 ZINC000352450289 134145556 /nfs/dbraw/zinc/14/55/56/134145556.db2.gz QUJUUYCCYZYFIG-OLZOCXBDSA-N 0 3 238.350 3.140 20 30 BGEDHN C[C@H]1CCC[C@@H](CN2CCC(F)(C#N)CC2)C1 ZINC000352450290 134145587 /nfs/dbraw/zinc/14/55/87/134145587.db2.gz QUJUUYCCYZYFIG-QWHCGFSZSA-N 0 3 238.350 3.140 20 30 BGEDHN C[C@H]1CCC[C@H](CN2CCC(F)(C#N)CC2)C1 ZINC000352450291 134145670 /nfs/dbraw/zinc/14/56/70/134145670.db2.gz QUJUUYCCYZYFIG-STQMWFEESA-N 0 3 238.350 3.140 20 30 BGEDHN Cc1ccccc1[C@@H](C)N1CCC(F)(C#N)CC1 ZINC000352450736 134145576 /nfs/dbraw/zinc/14/55/76/134145576.db2.gz SJICORALOHDTEF-CYBMUJFWSA-N 0 3 246.329 3.384 20 30 BGEDHN Cc1ccccc1[C@H](C)N1CCC(F)(C#N)CC1 ZINC000352450737 134145589 /nfs/dbraw/zinc/14/55/89/134145589.db2.gz SJICORALOHDTEF-ZDUSSCGKSA-N 0 3 246.329 3.384 20 30 BGEDHN Cc1cccc(C)c1CN1CCC(F)(C#N)CC1 ZINC000352458568 134145980 /nfs/dbraw/zinc/14/59/80/134145980.db2.gz MHAXAFLWNNRBJF-UHFFFAOYSA-N 0 3 246.329 3.131 20 30 BGEDHN CC[C@@H](c1ccccc1)N1CCC(F)(C#N)CC1 ZINC000352458830 356360406 /nfs/dbraw/zinc/36/04/06/356360406.db2.gz POQWWDJCYRFIAU-AWEZNQCLSA-N 0 3 246.329 3.465 20 30 BGEDHN CC[C@H](c1ccccc1)N1CCC(F)(C#N)CC1 ZINC000352458831 387226347 /nfs/dbraw/zinc/22/63/47/387226347.db2.gz POQWWDJCYRFIAU-CQSZACIVSA-N 0 3 246.329 3.465 20 30 BGEDHN CCC(C)(C)CCN1CCC(F)(C#N)CC1 ZINC000352464411 136263834 /nfs/dbraw/zinc/26/38/34/136263834.db2.gz SWDPDFCUZRWVET-UHFFFAOYSA-N 0 3 226.339 3.140 20 30 BGEDHN CC(C)(C)CCCN1CCC(F)(C#N)CC1 ZINC000352479726 387245584 /nfs/dbraw/zinc/24/55/84/387245584.db2.gz BPAIZQWMZKJYDH-UHFFFAOYSA-N 0 3 226.339 3.140 20 30 BGEDHN N#CC1(F)CCN(CCCC2CCCC2)CC1 ZINC000352482727 181029294 /nfs/dbraw/zinc/02/92/94/181029294.db2.gz HPAICVBUOYVUHN-UHFFFAOYSA-N 0 3 238.350 3.284 20 30 BGEDHN C=CCCC[C@@H](C)N1CCC(F)(C#N)CC1 ZINC000352483813 166245405 /nfs/dbraw/zinc/24/54/05/166245405.db2.gz JSTSGFNYMWBPJT-GFCCVEGCSA-N 0 3 224.323 3.059 20 30 BGEDHN C=CCCC[C@H](C)N1CCC(F)(C#N)CC1 ZINC000352483814 166245188 /nfs/dbraw/zinc/24/51/88/166245188.db2.gz JSTSGFNYMWBPJT-LBPRGKRZSA-N 0 3 224.323 3.059 20 30 BGEDHN CC1CCC(CN2CCC(F)(C#N)CC2)CC1 ZINC000352484290 168152919 /nfs/dbraw/zinc/15/29/19/168152919.db2.gz NKTIREYSWPPZKJ-UHFFFAOYSA-N 0 3 238.350 3.140 20 30 BGEDHN C[C@H](CN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490157 134146777 /nfs/dbraw/zinc/14/67/77/134146777.db2.gz GIQSCLSXPRZNAM-CYBMUJFWSA-N 0 3 246.329 3.118 20 30 BGEDHN C[C@@H](CN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490158 134146800 /nfs/dbraw/zinc/14/68/00/134146800.db2.gz GIQSCLSXPRZNAM-ZDUSSCGKSA-N 0 3 246.329 3.118 20 30 BGEDHN C=C(CC)CN1CCC=C(c2ccco2)C1 ZINC000352544254 534383318 /nfs/dbraw/zinc/38/33/18/534383318.db2.gz PHLTUUJZJNMAFJ-UHFFFAOYSA-N 0 3 217.312 3.335 20 30 BGEDHN CN(Cc1ccoc1)CC(C)(C)CCC#N ZINC000352644016 134150272 /nfs/dbraw/zinc/15/02/72/134150272.db2.gz OEOHEGBTXQABFZ-UHFFFAOYSA-N 0 3 220.316 3.041 20 30 BGEDHN C=CCN(CCSCC)CCc1ccco1 ZINC000352700700 134151180 /nfs/dbraw/zinc/15/11/80/134151180.db2.gz WTUIWQRASKHBKW-UHFFFAOYSA-N 0 3 239.384 3.063 20 30 BGEDHN N#CCC1(CNCc2ccc3occc3c2)CC1 ZINC000352703191 134150938 /nfs/dbraw/zinc/15/09/38/134150938.db2.gz BJVLUNGSNTWJOG-UHFFFAOYSA-N 0 3 240.306 3.216 20 30 BGEDHN C=CCCCCNCc1c(OC)cccc1OC ZINC000352739481 534690567 /nfs/dbraw/zinc/69/05/67/534690567.db2.gz YUPFMOJWXJZESW-UHFFFAOYSA-N 0 3 249.354 3.150 20 30 BGEDHN CC(C)N(Cc1cccc(C#N)c1F)C(C)C ZINC000352771553 387514093 /nfs/dbraw/zinc/51/40/93/387514093.db2.gz YYIKDTNJPLPDJL-UHFFFAOYSA-N 0 3 234.318 3.316 20 30 BGEDHN C=C(C)COCCNCc1ccc2occc2c1 ZINC000352786028 134152496 /nfs/dbraw/zinc/15/24/96/134152496.db2.gz IJHSWDIHPAQFKW-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=C(C)CCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000352791338 134152917 /nfs/dbraw/zinc/15/29/17/134152917.db2.gz HUGCSDGNWGFGDX-UHFFFAOYSA-N 0 3 249.354 3.116 20 30 BGEDHN C=C(C)CCN1CCOc2ccc(C)cc2C1 ZINC000352795199 134152997 /nfs/dbraw/zinc/15/29/97/134152997.db2.gz CQBNCFNGTLNDBN-UHFFFAOYSA-N 0 3 231.339 3.156 20 30 BGEDHN CC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000352796291 168043060 /nfs/dbraw/zinc/04/30/60/168043060.db2.gz KSLOXKYQEOVANI-UHFFFAOYSA-N 0 3 249.383 3.075 20 30 BGEDHN C=C[C@@H](C)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000352807796 534506801 /nfs/dbraw/zinc/50/68/01/534506801.db2.gz AHAXVQBJPFZRNP-MRVPVSSYSA-N 0 3 245.244 3.075 20 30 BGEDHN C=C[C@H](C)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000352807797 534666684 /nfs/dbraw/zinc/66/66/84/534666684.db2.gz AHAXVQBJPFZRNP-QMMMGPOBSA-N 0 3 245.244 3.075 20 30 BGEDHN CCCC1(CNCc2nc(C#N)cs2)CCC1 ZINC000352812220 387514125 /nfs/dbraw/zinc/51/41/25/387514125.db2.gz WOVSEHDBJSGQDN-UHFFFAOYSA-N 0 3 249.383 3.075 20 30 BGEDHN C=CCCCN1CCOc2ccc(C)cc2C1 ZINC000352814347 534718791 /nfs/dbraw/zinc/71/87/91/534718791.db2.gz HQJXJHVYLNZUHT-UHFFFAOYSA-N 0 3 231.339 3.156 20 30 BGEDHN C=CCN([C@H](C)c1ccccc1)C1CC1 ZINC000352832014 134154326 /nfs/dbraw/zinc/15/43/26/134154326.db2.gz NOGUQIGSIWBAGN-GFCCVEGCSA-N 0 3 201.313 3.398 20 30 BGEDHN C=CCN([C@@H](C)c1ccccc1)C1CC1 ZINC000352832015 134154340 /nfs/dbraw/zinc/15/43/40/134154340.db2.gz NOGUQIGSIWBAGN-LBPRGKRZSA-N 0 3 201.313 3.398 20 30 BGEDHN CCC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000352832199 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WVTPJPXVASGOTI-UHFFFAOYSA-N 0 3 201.313 3.147 20 30 BGEDHN C=C1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000353320936 134162967 /nfs/dbraw/zinc/16/29/67/134162967.db2.gz OYZPOEIMFGSRGZ-UHFFFAOYSA-N 0 3 231.339 3.237 20 30 BGEDHN C=CCOc1ccc(CN2CCC(=C)CC2)cc1 ZINC000353322297 534882264 /nfs/dbraw/zinc/88/22/64/534882264.db2.gz VEQZJPZHKXDTNO-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN C=C1CCN(Cc2ccccc2C)CC1 ZINC000353328581 134163350 /nfs/dbraw/zinc/16/33/50/134163350.db2.gz GGOFFHQEVNLEJT-UHFFFAOYSA-N 0 3 201.313 3.147 20 30 BGEDHN C=C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000353330700 134163448 /nfs/dbraw/zinc/16/34/48/134163448.db2.gz QZDZWZYKUNYXCP-UHFFFAOYSA-N 0 3 227.351 3.327 20 30 BGEDHN C=C1CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000353331719 134163517 /nfs/dbraw/zinc/16/35/17/134163517.db2.gz OVRCXTRIZJUMHG-UHFFFAOYSA-N 0 3 231.339 3.156 20 30 BGEDHN N#CC1(CN[C@@H]2CCCCC23CCCC3)CC1 ZINC000353340817 134163559 /nfs/dbraw/zinc/16/35/59/134163559.db2.gz XQBRWOBTQHFBAZ-CYBMUJFWSA-N 0 3 232.371 3.383 20 30 BGEDHN N#CC1(CN[C@H]2CCCCC23CCCC3)CC1 ZINC000353340818 134163622 /nfs/dbraw/zinc/16/36/22/134163622.db2.gz XQBRWOBTQHFBAZ-ZDUSSCGKSA-N 0 3 232.371 3.383 20 30 BGEDHN C=CCC[C@@H](NCC(C)(C)OC)c1ccco1 ZINC000353394256 534796468 /nfs/dbraw/zinc/79/64/68/534796468.db2.gz MEAVJACRCJPHJE-GFCCVEGCSA-N 0 3 237.343 3.302 20 30 BGEDHN C=CCC[C@H](NCC(C)(C)OC)c1ccco1 ZINC000353394258 134163388 /nfs/dbraw/zinc/16/33/88/134163388.db2.gz MEAVJACRCJPHJE-LBPRGKRZSA-N 0 3 237.343 3.302 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000353400162 534670079 /nfs/dbraw/zinc/67/00/79/534670079.db2.gz DOEJXMCOCWSRJJ-CMPLNLGQSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353400164 534669515 /nfs/dbraw/zinc/66/95/15/534669515.db2.gz DOEJXMCOCWSRJJ-JQWIXIFHSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353400166 534511637 /nfs/dbraw/zinc/51/16/37/534511637.db2.gz DOEJXMCOCWSRJJ-PWSUYJOCSA-N 0 3 249.354 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000353400168 534513081 /nfs/dbraw/zinc/51/30/81/534513081.db2.gz DOEJXMCOCWSRJJ-ZYHUDNBSSA-N 0 3 249.354 3.237 20 30 BGEDHN CC1CCC(CN(CCC#N)CC2CC2)CC1 ZINC000353418326 136265429 /nfs/dbraw/zinc/26/54/29/136265429.db2.gz CXTXGOQIMFRJFS-UHFFFAOYSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000353441972 387796286 /nfs/dbraw/zinc/79/62/86/387796286.db2.gz CJMAWHLRJBCZLT-CYBMUJFWSA-N 0 3 232.327 3.162 20 30 BGEDHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000353441977 387797078 /nfs/dbraw/zinc/79/70/78/387797078.db2.gz CJMAWHLRJBCZLT-ZDUSSCGKSA-N 0 3 232.327 3.162 20 30 BGEDHN CC1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC000353457966 535315913 /nfs/dbraw/zinc/31/59/13/535315913.db2.gz AWDDJXCJTYPIIF-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN CC1(C)CCN(Cc2cc(C#N)cs2)CC1 ZINC000353465293 358745399 /nfs/dbraw/zinc/74/53/99/358745399.db2.gz XCCFOAUQPCHUHI-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)s1 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/nfs/dbraw/zinc/30/15/99/176301599.db2.gz WUZYHXAPIKNECL-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CN(Cc2cc(C#N)cs2)C(C)(C)C1 ZINC000353935507 177260770 /nfs/dbraw/zinc/26/07/70/177260770.db2.gz WUZYHXAPIKNECL-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000354031943 176175638 /nfs/dbraw/zinc/17/56/38/176175638.db2.gz RMBGSPGVTJHNIF-CYBMUJFWSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@H]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000354031944 177165089 /nfs/dbraw/zinc/16/50/89/177165089.db2.gz RMBGSPGVTJHNIF-ZDUSSCGKSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H](C#N)CN(CC1CCC(C)CC1)C1CC1 ZINC000354035090 134166009 /nfs/dbraw/zinc/16/60/09/134166009.db2.gz VSCQBYGESCCOKY-MOKVOYLWSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(CC1CCC(C)CC1)C1CC1 ZINC000354035091 134165995 /nfs/dbraw/zinc/16/59/95/134165995.db2.gz VSCQBYGESCCOKY-ROKHWSDSSA-N 0 3 234.387 3.437 20 30 BGEDHN CC1CCC(CN(C)CC(C)(C)C#N)CC1 ZINC000354038382 134166623 /nfs/dbraw/zinc/16/66/23/134166623.db2.gz LAWSLARIJRNYMA-UHFFFAOYSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@]1(C)CCN(Cc2cc(C#N)cs2)C1 ZINC000354085141 387868530 /nfs/dbraw/zinc/86/85/30/387868530.db2.gz UPAQLOCCOIWCTI-CYBMUJFWSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2cc(C#N)cs2)C1 ZINC000354085142 171200571 /nfs/dbraw/zinc/20/05/71/171200571.db2.gz UPAQLOCCOIWCTI-ZDUSSCGKSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000354085653 387883519 /nfs/dbraw/zinc/88/35/19/387883519.db2.gz XVQPWEGNNWSUOH-CYBMUJFWSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000354085654 171200415 /nfs/dbraw/zinc/20/04/15/171200415.db2.gz XVQPWEGNNWSUOH-ZDUSSCGKSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000354089224 171200509 /nfs/dbraw/zinc/20/05/09/171200509.db2.gz XLDCBJMHJKXMCM-HNNXBMFYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000354089225 387883761 /nfs/dbraw/zinc/88/37/61/387883761.db2.gz XLDCBJMHJKXMCM-OAHLLOKOSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2ccccc2C#N)C1 ZINC000354099811 171201422 /nfs/dbraw/zinc/20/14/22/171201422.db2.gz HSXZBBXMJGLKNB-HNNXBMFYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@]1(C)CCN(Cc2ccccc2C#N)C1 ZINC000354099812 387897764 /nfs/dbraw/zinc/89/77/64/387897764.db2.gz HSXZBBXMJGLKNB-OAHLLOKOSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC000354108344 171201482 /nfs/dbraw/zinc/20/14/82/171201482.db2.gz VEAWRLUVNFIDPJ-HNNXBMFYSA-N 0 3 228.339 3.180 20 30 BGEDHN CC[C@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC000354108346 387910480 /nfs/dbraw/zinc/91/04/80/387910480.db2.gz VEAWRLUVNFIDPJ-OAHLLOKOSA-N 0 3 228.339 3.180 20 30 BGEDHN CC#CCCNCc1cnc(C2CCCC2)s1 ZINC000354193610 134167204 /nfs/dbraw/zinc/16/72/04/134167204.db2.gz ZYGYYDMKYUZOKE-UHFFFAOYSA-N 0 3 248.395 3.304 20 30 BGEDHN CC(C)N(Cc1cc(C#N)ccc1F)C1CCC1 ZINC000354226923 398118167 /nfs/dbraw/zinc/11/81/67/398118167.db2.gz YCRLYQUWDZYEQR-UHFFFAOYSA-N 0 3 246.329 3.460 20 30 BGEDHN CCc1cccc(F)c1CNCCCCC#N ZINC000354345867 535890566 /nfs/dbraw/zinc/89/05/66/535890566.db2.gz DOXMITCDAFIFNJ-UHFFFAOYSA-N 0 3 234.318 3.172 20 30 BGEDHN N#Cc1csc(CN2CC[C@H](CC3CC3)C2)c1 ZINC000354522612 387125719 /nfs/dbraw/zinc/12/57/19/387125719.db2.gz AJEGSCMMJYKYBH-GFCCVEGCSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1csc(CN2CC[C@@H](CC3CC3)C2)c1 ZINC000354522613 187374168 /nfs/dbraw/zinc/37/41/68/187374168.db2.gz AJEGSCMMJYKYBH-LBPRGKRZSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)s1 ZINC000354524743 181104975 /nfs/dbraw/zinc/10/49/75/181104975.db2.gz HNZFBGHAPMVGQC-GFCCVEGCSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)s1 ZINC000354524744 181105399 /nfs/dbraw/zinc/10/53/99/181105399.db2.gz HNZFBGHAPMVGQC-LBPRGKRZSA-N 0 3 246.379 3.242 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000354644985 536056979 /nfs/dbraw/zinc/05/69/79/536056979.db2.gz HTDFRGQCSXUFQQ-CMPLNLGQSA-N 0 3 244.329 3.482 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000354645006 535726592 /nfs/dbraw/zinc/72/65/92/535726592.db2.gz HTDFRGQCSXUFQQ-JQWIXIFHSA-N 0 3 244.329 3.482 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)C1CCC(F)(F)CC1 ZINC000354645009 535726345 /nfs/dbraw/zinc/72/63/45/535726345.db2.gz HTDFRGQCSXUFQQ-PWSUYJOCSA-N 0 3 244.329 3.482 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)C1CCC(F)(F)CC1 ZINC000354645012 134169605 /nfs/dbraw/zinc/16/96/05/134169605.db2.gz HTDFRGQCSXUFQQ-ZYHUDNBSSA-N 0 3 244.329 3.482 20 30 BGEDHN C=C1CCN(CCCCOC(C)(C)C)CC1 ZINC000354877492 534465806 /nfs/dbraw/zinc/46/58/06/534465806.db2.gz KUZUBXIJWVMJMK-UHFFFAOYSA-N 0 3 225.376 3.234 20 30 BGEDHN CCN(CCC1CC1)Cc1cc(C#N)ccc1F ZINC000355035452 388601745 /nfs/dbraw/zinc/60/17/45/388601745.db2.gz MUULBDJHHDOSKM-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CCN(CCC1CC1)Cc1cccc(C#N)c1F ZINC000355065002 388602938 /nfs/dbraw/zinc/60/29/38/388602938.db2.gz LZRPTELHRXVEKK-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000355080312 177312694 /nfs/dbraw/zinc/31/26/94/177312694.db2.gz DVMNJNZMLVPJHF-GRYCIOLGSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000355080313 176366371 /nfs/dbraw/zinc/36/63/71/176366371.db2.gz DVMNJNZMLVPJHF-IJLUTSLNSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000355080314 388602903 /nfs/dbraw/zinc/60/29/03/388602903.db2.gz DVMNJNZMLVPJHF-UTUOFQBUSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc(C#N)cs2)C1 ZINC000355080316 177312662 /nfs/dbraw/zinc/31/26/62/177312662.db2.gz DVMNJNZMLVPJHF-WOPDTQHZSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(C#N)o2)C1 ZINC000355084990 177315184 /nfs/dbraw/zinc/31/51/84/177315184.db2.gz XZTPSCCTKVCWMR-GRYCIOLGSA-N 0 3 232.327 3.018 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(C#N)o2)C1 ZINC000355084991 176366329 /nfs/dbraw/zinc/36/63/29/176366329.db2.gz XZTPSCCTKVCWMR-IJLUTSLNSA-N 0 3 232.327 3.018 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(C#N)o2)C1 ZINC000355084992 388602877 /nfs/dbraw/zinc/60/28/77/388602877.db2.gz XZTPSCCTKVCWMR-UTUOFQBUSA-N 0 3 232.327 3.018 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(C#N)o2)C1 ZINC000355084994 177315559 /nfs/dbraw/zinc/31/55/59/177315559.db2.gz XZTPSCCTKVCWMR-WOPDTQHZSA-N 0 3 232.327 3.018 20 30 BGEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@@H]32)ccc1F ZINC000355095886 181085663 /nfs/dbraw/zinc/08/56/63/181085663.db2.gz CDOYGCXWWJADMA-DOMZBBRYSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cc(CN2CC[C@H]3CCC[C@H]32)ccc1F ZINC000355095887 181085840 /nfs/dbraw/zinc/08/58/40/181085840.db2.gz CDOYGCXWWJADMA-IUODEOHRSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@H]32)ccc1F ZINC000355095888 181085974 /nfs/dbraw/zinc/08/59/74/181085974.db2.gz CDOYGCXWWJADMA-SWLSCSKDSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cc(CN2CC[C@@H]3CCC[C@@H]32)ccc1F ZINC000355095898 181085911 /nfs/dbraw/zinc/08/59/11/181085911.db2.gz CDOYGCXWWJADMA-WFASDCNBSA-N 0 3 244.313 3.072 20 30 BGEDHN C[C@H]1CCN(Cc2ccccc2C#N)C[C@@H](C)C1 ZINC000355106549 177310374 /nfs/dbraw/zinc/31/03/74/177310374.db2.gz ICKBWXIKCTZFAD-KBPBESRZSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H](C)C1 ZINC000355106559 176175646 /nfs/dbraw/zinc/17/56/46/176175646.db2.gz ICKBWXIKCTZFAD-KGLIPLIRSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@H]1CCN(Cc2ccccc2C#N)C[C@H](C)C1 ZINC000355106561 177166106 /nfs/dbraw/zinc/16/61/06/177166106.db2.gz ICKBWXIKCTZFAD-UONOGXRCSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H]1C[C@H](C)CCN(Cc2ccccc2C#N)C1 ZINC000355106568 176176170 /nfs/dbraw/zinc/17/61/70/176176170.db2.gz ICKBWXIKCTZFAD-ZIAGYGMSSA-N 0 3 242.366 3.426 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000355109521 181105496 /nfs/dbraw/zinc/10/54/96/181105496.db2.gz PPMBIFKQUANMCX-DOMZBBRYSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000355109523 181105985 /nfs/dbraw/zinc/10/59/85/181105985.db2.gz PPMBIFKQUANMCX-IUODEOHRSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000355109526 181105957 /nfs/dbraw/zinc/10/59/57/181105957.db2.gz PPMBIFKQUANMCX-SWLSCSKDSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000355109530 181105830 /nfs/dbraw/zinc/10/58/30/181105830.db2.gz PPMBIFKQUANMCX-WFASDCNBSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000355114192 181112474 /nfs/dbraw/zinc/11/24/74/181112474.db2.gz UGYALQIKAVELOG-DOMZBBRYSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(F)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000355114196 181112441 /nfs/dbraw/zinc/11/24/41/181112441.db2.gz UGYALQIKAVELOG-IUODEOHRSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000355114200 181113191 /nfs/dbraw/zinc/11/31/91/181113191.db2.gz UGYALQIKAVELOG-SWLSCSKDSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000355114203 181113239 /nfs/dbraw/zinc/11/32/39/181113239.db2.gz UGYALQIKAVELOG-WFASDCNBSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@H]32)c1F ZINC000355114393 388603152 /nfs/dbraw/zinc/60/31/52/388603152.db2.gz UOHLSQKYGNOXPW-BXUZGUMPSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1F ZINC000355114395 192081736 /nfs/dbraw/zinc/08/17/36/192081736.db2.gz UOHLSQKYGNOXPW-FZMZJTMJSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1F ZINC000355114402 388603135 /nfs/dbraw/zinc/60/31/35/388603135.db2.gz UOHLSQKYGNOXPW-RISCZKNCSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1F ZINC000355114406 187233253 /nfs/dbraw/zinc/23/32/53/187233253.db2.gz UOHLSQKYGNOXPW-SMDDNHRTSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1csc(CN2CCCC3(CCC3)C2)c1 ZINC000355231701 188063904 /nfs/dbraw/zinc/06/39/04/188063904.db2.gz ZOPUIJJWQGCKIE-UHFFFAOYSA-N 0 3 246.379 3.386 20 30 BGEDHN CC1CCC(C)(CNCc2ccc(C#N)o2)CC1 ZINC000355419217 168150073 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CC[C@@H](CC#N)NC[C@@H](CC)c1ccccc1 ZINC000358300495 134187620 /nfs/dbraw/zinc/18/76/20/134187620.db2.gz OXNXZUDWJZPTFC-HIFRSBDPSA-N 0 3 230.355 3.462 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H](CC)c1ccccc1 ZINC000358300496 536056290 /nfs/dbraw/zinc/05/62/90/536056290.db2.gz OXNXZUDWJZPTFC-UKRRQHHQSA-N 0 3 230.355 3.462 20 30 BGEDHN CC[C@@H](CN[C@@H](CC)CC#N)c1ccccc1 ZINC000358300497 134187597 /nfs/dbraw/zinc/18/75/97/134187597.db2.gz OXNXZUDWJZPTFC-ZFWWWQNUSA-N 0 3 230.355 3.462 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000358306057 534512215 /nfs/dbraw/zinc/51/22/15/534512215.db2.gz SXHPANHKQDEDFP-NEPJUHHUSA-N 0 3 226.323 3.460 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc2ccccc2n1 ZINC000358306058 534668713 /nfs/dbraw/zinc/66/87/13/534668713.db2.gz SXHPANHKQDEDFP-NWDGAFQWSA-N 0 3 226.323 3.460 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000358306060 384929275 /nfs/dbraw/zinc/92/92/75/384929275.db2.gz SXHPANHKQDEDFP-RYUDHWBXSA-N 0 3 226.323 3.460 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc2ccccc2n1 ZINC000358306087 384929219 /nfs/dbraw/zinc/92/92/19/384929219.db2.gz SXHPANHKQDEDFP-VXGBXAGGSA-N 0 3 226.323 3.460 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309710 534669914 /nfs/dbraw/zinc/66/99/14/534669914.db2.gz XLRRFTZMDMIPAK-GXSJLCMTSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309714 534512069 /nfs/dbraw/zinc/51/20/69/534512069.db2.gz XLRRFTZMDMIPAK-KOLCDFICSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309716 534511608 /nfs/dbraw/zinc/51/16/08/534511608.db2.gz XLRRFTZMDMIPAK-MWLCHTKSSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309717 534669420 /nfs/dbraw/zinc/66/94/20/534669420.db2.gz XLRRFTZMDMIPAK-ONGXEEELSA-N 0 3 234.299 3.128 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000358311825 534511246 /nfs/dbraw/zinc/51/12/46/534511246.db2.gz ZTGLCEXBDCQTJN-GHMZBOCLSA-N 0 3 236.334 3.117 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000358311829 534509738 /nfs/dbraw/zinc/50/97/38/534509738.db2.gz ZTGLCEXBDCQTJN-MNOVXSKESA-N 0 3 236.334 3.117 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000358311831 534669336 /nfs/dbraw/zinc/66/93/36/534669336.db2.gz ZTGLCEXBDCQTJN-QWRGUYRKSA-N 0 3 236.334 3.117 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000358311834 534669452 /nfs/dbraw/zinc/66/94/52/534669452.db2.gz ZTGLCEXBDCQTJN-WDEREUQCSA-N 0 3 236.334 3.117 20 30 BGEDHN C=CCCOCCN[C@H]1CCc2c1cccc2C ZINC000358366794 534779740 /nfs/dbraw/zinc/77/97/40/534779740.db2.gz JWVJECRNZDMEBN-INIZCTEOSA-N 0 3 245.366 3.165 20 30 BGEDHN C=CCCOCCN[C@@H]1CCc2c1cccc2C ZINC000358367108 534777520 /nfs/dbraw/zinc/77/75/20/534777520.db2.gz JWVJECRNZDMEBN-MRXNPFEDSA-N 0 3 245.366 3.165 20 30 BGEDHN CCC(C)(C)N(C)Cc1ccc(F)cc1C#N ZINC000358427311 168286951 /nfs/dbraw/zinc/28/69/51/168286951.db2.gz NGPFOHRAROGPFZ-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1nccn1CC ZINC000358440438 534696772 /nfs/dbraw/zinc/69/67/72/534696772.db2.gz ORZZBBHREMVLTK-CYBMUJFWSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCCCC[C@H](C)NCc1nccn1CC ZINC000358440439 134188226 /nfs/dbraw/zinc/18/82/26/134188226.db2.gz ORZZBBHREMVLTK-ZDUSSCGKSA-N 0 3 235.375 3.128 20 30 BGEDHN C=C(CC)CN1CCC[C@@H](c2nccs2)C1 ZINC000358496829 534385918 /nfs/dbraw/zinc/38/59/18/534385918.db2.gz JSJTWQVBNOHDEG-GFCCVEGCSA-N 0 3 236.384 3.289 20 30 BGEDHN C=C(CC)CN1CCC[C@H](c2nccs2)C1 ZINC000358496830 344559043 /nfs/dbraw/zinc/55/90/43/344559043.db2.gz JSJTWQVBNOHDEG-LBPRGKRZSA-N 0 3 236.384 3.289 20 30 BGEDHN C=C(CC)CN(C)CCCC(=O)OC(C)(C)C ZINC000358500215 534371096 /nfs/dbraw/zinc/37/10/96/534371096.db2.gz PMEMTTLWLSGAHQ-UHFFFAOYSA-N 0 3 241.375 3.006 20 30 BGEDHN C=C(CC)CN(C)Cc1cc(OC)cc(OC)c1 ZINC000358502021 534372348 /nfs/dbraw/zinc/37/23/48/534372348.db2.gz UQJLKSVSKYDENU-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=C(CC)CN1CCc2sccc2C1 ZINC000358502110 534399450 /nfs/dbraw/zinc/39/94/50/534399450.db2.gz VCYJWDTVXSKIDT-UHFFFAOYSA-N 0 3 207.342 3.072 20 30 BGEDHN C=C(CC)CN(C)C[C@@H]1OCCc2ccccc21 ZINC000358503665 534370502 /nfs/dbraw/zinc/37/05/02/534370502.db2.gz DIJDPNTYYFCRJG-INIZCTEOSA-N 0 3 245.366 3.198 20 30 BGEDHN C=C(CC)CN(C)C[C@H]1OCCc2ccccc21 ZINC000358503666 534371062 /nfs/dbraw/zinc/37/10/62/534371062.db2.gz DIJDPNTYYFCRJG-MRXNPFEDSA-N 0 3 245.366 3.198 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000358503767 534384690 /nfs/dbraw/zinc/38/46/90/534384690.db2.gz DTPDSQNFCDNXRV-CYBMUJFWSA-N 0 3 204.317 3.118 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1ccc[nH]1 ZINC000358503772 534387329 /nfs/dbraw/zinc/38/73/29/534387329.db2.gz DTPDSQNFCDNXRV-ZDUSSCGKSA-N 0 3 204.317 3.118 20 30 BGEDHN C=C(CC)CN1CCC(OC(C)(C)C)CC1 ZINC000358506020 344567422 /nfs/dbraw/zinc/56/74/22/344567422.db2.gz IBBJETSKWBXXLD-UHFFFAOYSA-N 0 3 225.376 3.232 20 30 BGEDHN C=C(CC)CN(C)CCOCc1ccccc1 ZINC000358506136 344567774 /nfs/dbraw/zinc/56/77/74/344567774.db2.gz IKLSZBQIEHDOMZ-UHFFFAOYSA-N 0 3 233.355 3.101 20 30 BGEDHN C=C(CC)CN(C)Cc1ccccc1OC ZINC000358506952 534369945 /nfs/dbraw/zinc/36/99/45/534369945.db2.gz JVHYDKLURQLTGF-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(CC)CN(Cc1ccco1)C(C)C ZINC000358506980 534377511 /nfs/dbraw/zinc/37/75/11/534377511.db2.gz KELYUEGMYSGKFR-UHFFFAOYSA-N 0 3 207.317 3.456 20 30 BGEDHN C=C(CC)CN1CCC(OC2CCCC2)CC1 ZINC000358508820 534382045 /nfs/dbraw/zinc/38/20/45/534382045.db2.gz MISMVPZRSBSJBA-UHFFFAOYSA-N 0 3 237.387 3.376 20 30 BGEDHN C=C(CC)CN1CCc2ccc(OC)cc2C1 ZINC000358510062 534398611 /nfs/dbraw/zinc/39/86/11/534398611.db2.gz OCUAFQVWQDOQLM-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(CC)CN(C)[C@@H](CCO)c1ccccc1 ZINC000358511456 534375957 /nfs/dbraw/zinc/37/59/57/534375957.db2.gz RPQOUMYRGMNMPB-HNNXBMFYSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C(CC)CN(C)[C@H](CCO)c1ccccc1 ZINC000358511457 534375444 /nfs/dbraw/zinc/37/54/44/534375444.db2.gz RPQOUMYRGMNMPB-OAHLLOKOSA-N 0 3 233.355 3.008 20 30 BGEDHN C=C(CC)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000358512387 534378476 /nfs/dbraw/zinc/37/84/76/534378476.db2.gz SENGABDIPYFUMM-UHFFFAOYSA-N 0 3 240.350 3.489 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(C)s1 ZINC000358513856 534371838 /nfs/dbraw/zinc/37/18/38/534371838.db2.gz VIPBXGNPKFCIRJ-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C[C@H](NCC1CCC1)c1ccc(C#N)cc1F ZINC000358556607 388623225 /nfs/dbraw/zinc/62/32/25/388623225.db2.gz MUZFPGHDIMGVSV-JTQLQIEISA-N 0 3 232.302 3.148 20 30 BGEDHN C[C@@H](NCC1CCC1)c1ccc(C#N)cc1F ZINC000358556613 388622907 /nfs/dbraw/zinc/62/29/07/388622907.db2.gz MUZFPGHDIMGVSV-SNVBAGLBSA-N 0 3 232.302 3.148 20 30 BGEDHN CC(C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358560966 167386043 /nfs/dbraw/zinc/38/60/43/167386043.db2.gz QZOXMAPQFDMSKX-GHMZBOCLSA-N 0 3 234.318 3.392 20 30 BGEDHN CC(C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358560967 167383176 /nfs/dbraw/zinc/38/31/76/167383176.db2.gz QZOXMAPQFDMSKX-MNOVXSKESA-N 0 3 234.318 3.392 20 30 BGEDHN CC(C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358560968 388622948 /nfs/dbraw/zinc/62/29/48/388622948.db2.gz QZOXMAPQFDMSKX-QWRGUYRKSA-N 0 3 234.318 3.392 20 30 BGEDHN CC(C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358560969 388623229 /nfs/dbraw/zinc/62/32/29/388623229.db2.gz QZOXMAPQFDMSKX-WDEREUQCSA-N 0 3 234.318 3.392 20 30 BGEDHN C[C@@H](N[C@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565411 388622715 /nfs/dbraw/zinc/62/27/15/388622715.db2.gz ZBLSLIYCIZWJSZ-NXEZZACHSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](N[C@@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565412 388623427 /nfs/dbraw/zinc/62/34/27/388623427.db2.gz ZBLSLIYCIZWJSZ-UWVGGRQHSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565413 176913592 /nfs/dbraw/zinc/91/35/92/176913592.db2.gz ZBLSLIYCIZWJSZ-VHSXEESVSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358565415 388623439 /nfs/dbraw/zinc/62/34/39/388623439.db2.gz ZBLSLIYCIZWJSZ-ZJUUUORDSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358565666 388623169 /nfs/dbraw/zinc/62/31/69/388623169.db2.gz HULQUJFGRCHCQU-JBLDHEPKSA-N 0 3 232.302 3.004 20 30 BGEDHN C[C@H](NC[C@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000358565676 388623448 /nfs/dbraw/zinc/62/34/48/388623448.db2.gz HULQUJFGRCHCQU-JFGNBEQYSA-N 0 3 232.302 3.004 20 30 BGEDHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358565687 386648462 /nfs/dbraw/zinc/64/84/62/386648462.db2.gz HULQUJFGRCHCQU-NHCYSSNCSA-N 0 3 232.302 3.004 20 30 BGEDHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000358565696 388623309 /nfs/dbraw/zinc/62/33/09/388623309.db2.gz HULQUJFGRCHCQU-SCVCMEIPSA-N 0 3 232.302 3.004 20 30 BGEDHN C[C@H](NCCC1CC1)c1ccc(C#N)cc1F ZINC000358566699 388623354 /nfs/dbraw/zinc/62/33/54/388623354.db2.gz BMRXRHARKIAOJT-JTQLQIEISA-N 0 3 232.302 3.148 20 30 BGEDHN C[C@@H](NCCC1CC1)c1ccc(C#N)cc1F ZINC000358566701 386703917 /nfs/dbraw/zinc/70/39/17/386703917.db2.gz BMRXRHARKIAOJT-SNVBAGLBSA-N 0 3 232.302 3.148 20 30 BGEDHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572582 388623007 /nfs/dbraw/zinc/62/30/07/388623007.db2.gz QPWXPIZJLRTAEU-NOZJJQNGSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572583 388623136 /nfs/dbraw/zinc/62/31/36/388623136.db2.gz QPWXPIZJLRTAEU-RNCFNFMXSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572584 388623147 /nfs/dbraw/zinc/62/31/47/388623147.db2.gz QPWXPIZJLRTAEU-TVQRCGJNSA-N 0 3 232.302 3.146 20 30 BGEDHN C[C@H](N[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358573085 388623344 /nfs/dbraw/zinc/62/33/44/388623344.db2.gz QPWXPIZJLRTAEU-ZANVPECISA-N 0 3 232.302 3.146 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358578743 134190578 /nfs/dbraw/zinc/19/05/78/134190578.db2.gz WLBGGKZPNLMCAZ-GHMZBOCLSA-N 0 3 232.302 3.313 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358578744 134190559 /nfs/dbraw/zinc/19/05/59/134190559.db2.gz WLBGGKZPNLMCAZ-MNOVXSKESA-N 0 3 232.302 3.313 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358578745 134190614 /nfs/dbraw/zinc/19/06/14/134190614.db2.gz WLBGGKZPNLMCAZ-QWRGUYRKSA-N 0 3 232.302 3.313 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358578747 134190649 /nfs/dbraw/zinc/19/06/49/134190649.db2.gz WLBGGKZPNLMCAZ-WDEREUQCSA-N 0 3 232.302 3.313 20 30 BGEDHN C[C@@H](NCCCCC#N)c1ccc(C#N)cc1F ZINC000358580501 134190448 /nfs/dbraw/zinc/19/04/48/134190448.db2.gz XYVCNXYVNQWEQR-LLVKDONJSA-N 0 3 245.301 3.042 20 30 BGEDHN C[C@H](NCCCCC#N)c1ccc(C#N)cc1F ZINC000358580503 134190471 /nfs/dbraw/zinc/19/04/71/134190471.db2.gz XYVCNXYVNQWEQR-NSHDSACASA-N 0 3 245.301 3.042 20 30 BGEDHN C[C@H](NCC1(C)CC1)c1ccc(C#N)cc1F ZINC000358581759 176836155 /nfs/dbraw/zinc/83/61/55/176836155.db2.gz ZJVYIGLFMSAAJD-JTQLQIEISA-N 0 3 232.302 3.148 20 30 BGEDHN C[C@@H](NCC1(C)CC1)c1ccc(C#N)cc1F ZINC000358581760 388623966 /nfs/dbraw/zinc/62/39/66/388623966.db2.gz ZJVYIGLFMSAAJD-SNVBAGLBSA-N 0 3 232.302 3.148 20 30 BGEDHN C[C@H](NC[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587485 386753797 /nfs/dbraw/zinc/75/37/97/386753797.db2.gz KKRAEFKZLNOGQA-CMPLNLGQSA-N 0 3 246.329 3.394 20 30 BGEDHN C[C@H](NC[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587487 388624478 /nfs/dbraw/zinc/62/44/78/388624478.db2.gz KKRAEFKZLNOGQA-JQWIXIFHSA-N 0 3 246.329 3.394 20 30 BGEDHN C[C@@H](NC[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587489 175887878 /nfs/dbraw/zinc/88/78/78/175887878.db2.gz KKRAEFKZLNOGQA-PWSUYJOCSA-N 0 3 246.329 3.394 20 30 BGEDHN C[C@@H](NC[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587490 188423088 /nfs/dbraw/zinc/42/30/88/188423088.db2.gz KKRAEFKZLNOGQA-ZYHUDNBSSA-N 0 3 246.329 3.394 20 30 BGEDHN C=C(CC)CN(Cc1ccccc1)C[C@@H](O)CC ZINC000358608226 534377595 /nfs/dbraw/zinc/37/75/95/534377595.db2.gz AFYNCCVMWIRRPB-INIZCTEOSA-N 0 3 247.382 3.226 20 30 BGEDHN C=C(CC)CN(Cc1ccccc1)C[C@H](O)CC ZINC000358608228 534377193 /nfs/dbraw/zinc/37/71/93/534377193.db2.gz AFYNCCVMWIRRPB-MRXNPFEDSA-N 0 3 247.382 3.226 20 30 BGEDHN C=C(CC)CN(CCc1nccs1)C(C)C ZINC000358614400 534378303 /nfs/dbraw/zinc/37/83/03/534378303.db2.gz BQAIKMIUVAPEIM-UHFFFAOYSA-N 0 3 238.400 3.362 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)c1cccc(O)c1 ZINC000358621603 534375765 /nfs/dbraw/zinc/37/57/65/534375765.db2.gz XTKXTHVKRNVFGT-GFCCVEGCSA-N 0 3 219.328 3.351 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000358621604 534375333 /nfs/dbraw/zinc/37/53/33/534375333.db2.gz XTKXTHVKRNVFGT-LBPRGKRZSA-N 0 3 219.328 3.351 20 30 BGEDHN C=C(CC)CN(C)Cc1sccc1C ZINC000358622018 534374442 /nfs/dbraw/zinc/37/44/42/534374442.db2.gz AKKNPHXMJPNEQF-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(F)c(F)c1 ZINC000358622060 534372786 /nfs/dbraw/zinc/37/27/86/534372786.db2.gz AUPPSKHMPHXYQH-UHFFFAOYSA-N 0 3 225.282 3.363 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1cc(C)no1 ZINC000358622907 534384017 /nfs/dbraw/zinc/38/40/17/534384017.db2.gz GARPMASRSVFEHH-GFCCVEGCSA-N 0 3 220.316 3.086 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1cc(C)no1 ZINC000358622909 534388566 /nfs/dbraw/zinc/38/85/66/534388566.db2.gz GARPMASRSVFEHH-LBPRGKRZSA-N 0 3 220.316 3.086 20 30 BGEDHN C=C(CC)CN(C)Cc1cccc(OC)c1 ZINC000358623773 534372226 /nfs/dbraw/zinc/37/22/26/534372226.db2.gz HPHQFBQVYGYTLF-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(CC)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000358624424 534374978 /nfs/dbraw/zinc/37/49/78/534374978.db2.gz KYMDBPQUTKNQLO-UHFFFAOYSA-N 0 3 247.338 3.203 20 30 BGEDHN C=C(CC)CN(C)Cc1cccc(F)c1 ZINC000358624467 534370143 /nfs/dbraw/zinc/37/01/43/534370143.db2.gz LJYCUXFTPRIGHZ-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=C(CC)CN(CCOC)Cc1ccccc1 ZINC000358624514 534377075 /nfs/dbraw/zinc/37/70/75/534377075.db2.gz LTMJMRQJVPNRLG-UHFFFAOYSA-N 0 3 233.355 3.101 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(F)cc1 ZINC000358625453 534372268 /nfs/dbraw/zinc/37/22/68/534372268.db2.gz PELZHHWMUUOLLD-UHFFFAOYSA-N 0 3 207.292 3.224 20 30 BGEDHN C=C(CC)CN1CCc2ccccc2C1 ZINC000358626313 344674295 /nfs/dbraw/zinc/67/42/95/344674295.db2.gz RLRJVNSMILPLHE-UHFFFAOYSA-N 0 3 201.313 3.011 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(OC)cc1 ZINC000358627354 534371649 /nfs/dbraw/zinc/37/16/49/534371649.db2.gz WCSCWFFXJFWPHW-UHFFFAOYSA-N 0 3 219.328 3.093 20 30 BGEDHN C=C(CC)CN(C)Cc1cccc(N(C)C)c1 ZINC000358630303 534372117 /nfs/dbraw/zinc/37/21/17/534372117.db2.gz NEVSUDCGWFIZSW-UHFFFAOYSA-N 0 3 232.371 3.151 20 30 BGEDHN C=C(CC)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000358632034 534380105 /nfs/dbraw/zinc/38/01/05/534380105.db2.gz PQTUEYADGBHHOP-UHFFFAOYSA-N 0 3 243.350 3.448 20 30 BGEDHN C=C(CC)CN(CCOC)Cc1cccs1 ZINC000358637066 344683559 /nfs/dbraw/zinc/68/35/59/344683559.db2.gz PXSPZEZXAUEOFX-UHFFFAOYSA-N 0 3 239.384 3.163 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)c1cccnc1 ZINC000358815814 534376048 /nfs/dbraw/zinc/37/60/48/534376048.db2.gz AGECRMIFEHJNPJ-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)c1cccnc1 ZINC000358815816 534374107 /nfs/dbraw/zinc/37/41/07/534374107.db2.gz AGECRMIFEHJNPJ-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN(C)[C@@H](CC)c1ccncc1 ZINC000358825192 534375502 /nfs/dbraw/zinc/37/55/02/534375502.db2.gz FNEUTTWGERRBKD-AWEZNQCLSA-N 0 3 218.344 3.431 20 30 BGEDHN C=C(CC)CN(C)[C@H](CC)c1ccncc1 ZINC000358825193 534374268 /nfs/dbraw/zinc/37/42/68/534374268.db2.gz FNEUTTWGERRBKD-CQSZACIVSA-N 0 3 218.344 3.431 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)c1ccncc1 ZINC000358828670 534375020 /nfs/dbraw/zinc/37/50/20/534375020.db2.gz KSPPHKZUMNJNFY-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)c1ccncc1 ZINC000358828671 534375793 /nfs/dbraw/zinc/37/57/93/534375793.db2.gz KSPPHKZUMNJNFY-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)c1ccccn1 ZINC000358832649 534375193 /nfs/dbraw/zinc/37/51/93/534375193.db2.gz RZACLDJDVJXODO-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)c1ccccn1 ZINC000358832656 534375146 /nfs/dbraw/zinc/37/51/46/534375146.db2.gz RZACLDJDVJXODO-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(CC)CN1CCc2ccsc2C1 ZINC000358835127 534399338 /nfs/dbraw/zinc/39/93/38/534399338.db2.gz VHPMKPXITQAKLX-UHFFFAOYSA-N 0 3 207.342 3.072 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000358837374 534384766 /nfs/dbraw/zinc/38/47/66/534384766.db2.gz XPHWIMWMZZCLMG-CYBMUJFWSA-N 0 3 233.359 3.130 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000358837381 534387557 /nfs/dbraw/zinc/38/75/57/534387557.db2.gz XPHWIMWMZZCLMG-ZDUSSCGKSA-N 0 3 233.359 3.130 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1ccncc1 ZINC000358858155 344800110 /nfs/dbraw/zinc/80/01/10/344800110.db2.gz JGBYLKBDEWXNAK-AWEZNQCLSA-N 0 3 216.328 3.185 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1ccncc1 ZINC000358858156 534387904 /nfs/dbraw/zinc/38/79/04/534387904.db2.gz JGBYLKBDEWXNAK-CQSZACIVSA-N 0 3 216.328 3.185 20 30 BGEDHN C=C(CC)CN(Cc1cccnc1)C(C)C ZINC000358869679 534377651 /nfs/dbraw/zinc/37/76/51/534377651.db2.gz IFYLJHBMMYSWCS-UHFFFAOYSA-N 0 3 218.344 3.258 20 30 BGEDHN C=C(CC)CN(Cc1ccncc1)C1CC1 ZINC000358870273 534378722 /nfs/dbraw/zinc/37/87/22/534378722.db2.gz IMTWTINSMKJCHA-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN C=C(CC)CN(Cc1cccnc1)C1CC1 ZINC000358870855 534376854 /nfs/dbraw/zinc/37/68/54/534376854.db2.gz JLCCSGWYLAGZMW-UHFFFAOYSA-N 0 3 216.328 3.012 20 30 BGEDHN Cc1cc2[nH]c(CNCCCC#N)cc2c(C)c1 ZINC000358991362 134193375 /nfs/dbraw/zinc/19/33/75/134193375.db2.gz VCXRVOCTJRTDCL-UHFFFAOYSA-N 0 3 241.338 3.178 20 30 BGEDHN N#Cc1ccc(SCCN2CCCCC2)cc1 ZINC000359011078 388628493 /nfs/dbraw/zinc/62/84/93/388628493.db2.gz DZOJKLUMEWIAIN-UHFFFAOYSA-N 0 3 246.379 3.136 20 30 BGEDHN C=C(C)CN(CC)Cc1c(C)cc(OC)nc1C ZINC000359222856 533506093 /nfs/dbraw/zinc/50/60/93/533506093.db2.gz IYUCISOVNQSBBC-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN C=CCCCN(C)Cc1c(C)cc(OC)nc1C ZINC000359236295 534709271 /nfs/dbraw/zinc/70/92/71/534709271.db2.gz OSAZRLDTIZAUPH-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN C=CCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359545500 136267239 /nfs/dbraw/zinc/26/72/39/136267239.db2.gz YPPUKSSEHJXJOD-NEPJUHHUSA-N 0 3 231.339 3.189 20 30 BGEDHN C=CCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000359545501 136267207 /nfs/dbraw/zinc/26/72/07/136267207.db2.gz YPPUKSSEHJXJOD-NWDGAFQWSA-N 0 3 231.339 3.189 20 30 BGEDHN C=CCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359545502 534854628 /nfs/dbraw/zinc/85/46/28/534854628.db2.gz YPPUKSSEHJXJOD-RYUDHWBXSA-N 0 3 231.339 3.189 20 30 BGEDHN C=CCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000359545503 136267102 /nfs/dbraw/zinc/26/71/02/136267102.db2.gz YPPUKSSEHJXJOD-VXGBXAGGSA-N 0 3 231.339 3.189 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(OCC2CC2)cc1 ZINC000359700407 534506661 /nfs/dbraw/zinc/50/66/61/534506661.db2.gz OJOZFCSHQPPMAV-GFCCVEGCSA-N 0 3 231.339 3.140 20 30 BGEDHN C=C[C@H](C)NCc1ccc(OCC2CC2)cc1 ZINC000359700410 534665845 /nfs/dbraw/zinc/66/58/45/534665845.db2.gz OJOZFCSHQPPMAV-LBPRGKRZSA-N 0 3 231.339 3.140 20 30 BGEDHN CC(C)CCN(CCC#N)CCC1CC1 ZINC000359847487 134197429 /nfs/dbraw/zinc/19/74/29/134197429.db2.gz BEJVAGJIVLRHFF-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C=C(CC)CN1Cc2ccccc2OC[C@H]1C ZINC000359857459 534403105 /nfs/dbraw/zinc/40/31/05/534403105.db2.gz FCKMTCACFDYQJX-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(CC)CN1Cc2ccccc2OC[C@@H]1C ZINC000359857460 534403222 /nfs/dbraw/zinc/40/32/22/534403222.db2.gz FCKMTCACFDYQJX-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCCCN1CCc2c(cccc2OC)C1 ZINC000359858733 534720377 /nfs/dbraw/zinc/72/03/77/534720377.db2.gz ICOHVWMUQBUGNJ-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(CC)CN1CCc2c(cccc2OC)C1 ZINC000359863271 534399901 /nfs/dbraw/zinc/39/99/01/534399901.db2.gz UODXQZOKNCFMMZ-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN CCC(CC)CN(CCC#N)CCC1CC1 ZINC000359887504 535019865 /nfs/dbraw/zinc/01/98/65/535019865.db2.gz PPTQSKSHZUETOZ-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCCCN1Cc2ccccc2OC[C@H]1C ZINC000359891991 134197619 /nfs/dbraw/zinc/19/76/19/134197619.db2.gz FIGZBKNKXJBYLB-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCCCN1Cc2ccccc2OC[C@@H]1C ZINC000359891992 134197726 /nfs/dbraw/zinc/19/77/26/134197726.db2.gz FIGZBKNKXJBYLB-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000359965782 134198069 /nfs/dbraw/zinc/19/80/69/134198069.db2.gz FRWHDPVBAUILCL-AAEUAGOBSA-N 0 3 244.338 3.050 20 30 BGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000359965783 134198220 /nfs/dbraw/zinc/19/82/20/134198220.db2.gz FRWHDPVBAUILCL-DGCLKSJQSA-N 0 3 244.338 3.050 20 30 BGEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000359965784 134198228 /nfs/dbraw/zinc/19/82/28/134198228.db2.gz FRWHDPVBAUILCL-WCQYABFASA-N 0 3 244.338 3.050 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000359965785 398343522 /nfs/dbraw/zinc/34/35/22/398343522.db2.gz FRWHDPVBAUILCL-YPMHNXCESA-N 0 3 244.338 3.050 20 30 BGEDHN N#Cc1ccc(CN2C[C@H]3CCCCCC[C@@H]32)o1 ZINC000360059330 181105840 /nfs/dbraw/zinc/10/58/40/181105840.db2.gz PJXUBPBYXLPYSU-DOMZBBRYSA-N 0 3 244.338 3.306 20 30 BGEDHN N#Cc1ccc(CN2C[C@H]3CCCCCC[C@H]32)o1 ZINC000360059331 181106032 /nfs/dbraw/zinc/10/60/32/181106032.db2.gz PJXUBPBYXLPYSU-IUODEOHRSA-N 0 3 244.338 3.306 20 30 BGEDHN N#Cc1ccc(CN2C[C@@H]3CCCCCC[C@H]32)o1 ZINC000360059332 181104952 /nfs/dbraw/zinc/10/49/52/181104952.db2.gz PJXUBPBYXLPYSU-SWLSCSKDSA-N 0 3 244.338 3.306 20 30 BGEDHN N#Cc1ccc(CN2C[C@@H]3CCCCCC[C@@H]32)o1 ZINC000360059333 181105581 /nfs/dbraw/zinc/10/55/81/181105581.db2.gz PJXUBPBYXLPYSU-WFASDCNBSA-N 0 3 244.338 3.306 20 30 BGEDHN C=CCN(CCC1CC1)Cc1cccc(C#N)c1 ZINC000360062784 136268116 /nfs/dbraw/zinc/26/81/16/136268116.db2.gz IADURQIACZVHGX-UHFFFAOYSA-N 0 3 240.350 3.346 20 30 BGEDHN C=CCN(CCC(=O)c1ccc(C)cc1)C1CC1 ZINC000360138447 134198731 /nfs/dbraw/zinc/19/87/31/134198731.db2.gz DKVJQEGNQWPIQR-UHFFFAOYSA-N 0 3 243.350 3.218 20 30 BGEDHN C=CCN(CC=C)Cc1ccc2c(c1)CCC2 ZINC000360285646 534829594 /nfs/dbraw/zinc/82/95/94/534829594.db2.gz KWFJTSBXEZKLJB-UHFFFAOYSA-N 0 3 227.351 3.349 20 30 BGEDHN C=C(C)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000360420977 134200627 /nfs/dbraw/zinc/20/06/27/134200627.db2.gz YMLMAYSEDHCNNP-UHFFFAOYSA-N 0 3 229.323 3.057 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000360460036 171161094 /nfs/dbraw/zinc/16/10/94/171161094.db2.gz NAWQSGSHIWXWHZ-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1cccc(C#N)c1F ZINC000360460037 388634535 /nfs/dbraw/zinc/63/45/35/388634535.db2.gz NAWQSGSHIWXWHZ-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1cccc(C#N)c1F ZINC000360460038 388634402 /nfs/dbraw/zinc/63/44/02/388634402.db2.gz NAWQSGSHIWXWHZ-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(C#N)c1F ZINC000360460040 171156746 /nfs/dbraw/zinc/15/67/46/171156746.db2.gz NAWQSGSHIWXWHZ-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000360596778 176064510 /nfs/dbraw/zinc/06/45/10/176064510.db2.gz JHNSSXUYEODXGT-GFCCVEGCSA-N 0 3 246.329 3.319 20 30 BGEDHN C[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000360596779 177071156 /nfs/dbraw/zinc/07/11/56/177071156.db2.gz JHNSSXUYEODXGT-LBPRGKRZSA-N 0 3 246.329 3.319 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360654950 534668669 /nfs/dbraw/zinc/66/86/69/534668669.db2.gz BABBIOFBBYNMND-BLLLJJGKSA-N 0 3 240.350 3.490 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360654953 134201996 /nfs/dbraw/zinc/20/19/96/134201996.db2.gz BABBIOFBBYNMND-LRDDRELGSA-N 0 3 240.350 3.490 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360654966 534511173 /nfs/dbraw/zinc/51/11/73/534511173.db2.gz BABBIOFBBYNMND-MLGOLLRUSA-N 0 3 240.350 3.490 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360654967 534512994 /nfs/dbraw/zinc/51/29/94/534512994.db2.gz BABBIOFBBYNMND-WBMJQRKESA-N 0 3 240.350 3.490 20 30 BGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1cccs1 ZINC000360672877 134201681 /nfs/dbraw/zinc/20/16/81/134201681.db2.gz PJZYMAHBZWAALZ-UHFFFAOYSA-N 0 3 247.367 3.146 20 30 BGEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000360679917 176238652 /nfs/dbraw/zinc/23/86/52/176238652.db2.gz IVLWPACXOJKJJV-DOMZBBRYSA-N 0 3 244.338 3.163 20 30 BGEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000360679919 176218860 /nfs/dbraw/zinc/21/88/60/176218860.db2.gz IVLWPACXOJKJJV-IUODEOHRSA-N 0 3 244.338 3.163 20 30 BGEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000360679921 177196592 /nfs/dbraw/zinc/19/65/92/177196592.db2.gz IVLWPACXOJKJJV-SWLSCSKDSA-N 0 3 244.338 3.163 20 30 BGEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000360679923 177208663 /nfs/dbraw/zinc/20/86/63/177208663.db2.gz IVLWPACXOJKJJV-WFASDCNBSA-N 0 3 244.338 3.163 20 30 BGEDHN CC#CCCNCc1cc2cc(F)ccc2o1 ZINC000360947467 134202980 /nfs/dbraw/zinc/20/29/80/134202980.db2.gz NEUIAPQHFWMAHG-UHFFFAOYSA-N 0 3 231.270 3.075 20 30 BGEDHN C=C1CCN(CCCc2ccsc2)CC1 ZINC000360973715 534465568 /nfs/dbraw/zinc/46/55/68/534465568.db2.gz AVVGVPIWACSDHT-UHFFFAOYSA-N 0 3 221.369 3.333 20 30 BGEDHN CCN(Cc1cc(C#N)cs1)CC(C)(C)C ZINC000361018274 369434739 /nfs/dbraw/zinc/43/47/39/369434739.db2.gz RCJDUWDZLYQGDO-UHFFFAOYSA-N 0 3 236.384 3.488 20 30 BGEDHN C=CC[C@@H](CC)NCc1cc(F)ccc1OC ZINC000361117331 366937269 /nfs/dbraw/zinc/93/72/69/366937269.db2.gz IZHXETJGMSWHIR-CYBMUJFWSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@H](CC)NCc1cc(F)ccc1OC ZINC000361117332 366937511 /nfs/dbraw/zinc/93/75/11/366937511.db2.gz IZHXETJGMSWHIR-ZDUSSCGKSA-N 0 3 237.318 3.279 20 30 BGEDHN N#Cc1cc(CN2CCC[C@H]2C2CC2)ccc1F ZINC000361331548 181085174 /nfs/dbraw/zinc/08/51/74/181085174.db2.gz QILIOHHVQJUMST-HNNXBMFYSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1cc(CN2CCC[C@@H]2C2CC2)ccc1F ZINC000361331549 181085089 /nfs/dbraw/zinc/08/50/89/181085089.db2.gz QILIOHHVQJUMST-OAHLLOKOSA-N 0 3 244.313 3.072 20 30 BGEDHN C=CCCN(C)Cc1ccc(Cl)cc1OC ZINC000361337476 134204747 /nfs/dbraw/zinc/20/47/47/134204747.db2.gz RZZGWTOTLGUATB-UHFFFAOYSA-N 0 3 239.746 3.357 20 30 BGEDHN C=C1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000361384926 534467558 /nfs/dbraw/zinc/46/75/58/534467558.db2.gz HGWWJRCZJHTEQO-HNNXBMFYSA-N 0 3 231.314 3.465 20 30 BGEDHN C=C1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000361384927 134204936 /nfs/dbraw/zinc/20/49/36/134204936.db2.gz HGWWJRCZJHTEQO-OAHLLOKOSA-N 0 3 231.314 3.465 20 30 BGEDHN C=CCCN1CCC(C(=O)c2cccs2)CC1 ZINC000361391282 134204800 /nfs/dbraw/zinc/20/48/00/134204800.db2.gz QUTYQOCGRSACBW-UHFFFAOYSA-N 0 3 249.379 3.219 20 30 BGEDHN C=CCCN(C)Cc1cncc(C(F)(F)F)c1 ZINC000361393487 134205197 /nfs/dbraw/zinc/20/51/97/134205197.db2.gz XKONNPRGQZTVOT-UHFFFAOYSA-N 0 3 244.260 3.108 20 30 BGEDHN Cc1ccncc1CN(C)CCCC(C)(C)C#N ZINC000361414059 134205194 /nfs/dbraw/zinc/20/51/94/134205194.db2.gz SZLBOXBVGMAERX-UHFFFAOYSA-N 0 3 245.370 3.152 20 30 BGEDHN CCN(Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000361481845 346537120 /nfs/dbraw/zinc/53/71/20/346537120.db2.gz RMKRGWXSRWRXAA-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC(C)(C)[C@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000361541543 134206351 /nfs/dbraw/zinc/20/63/51/134206351.db2.gz QNFZJENFPYYXJI-KBPBESRZSA-N 0 3 247.386 3.188 20 30 BGEDHN CC(C)(C)[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000361541544 134206239 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/nfs/dbraw/zinc/35/60/23/323356023.db2.gz PJIBGRKDTFHOHI-UHFFFAOYSA-N 0 3 243.350 3.206 20 30 BGEDHN C=C(C)CCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574178 323355819 /nfs/dbraw/zinc/35/58/19/323355819.db2.gz SYHMEXDHKVWJRH-UHFFFAOYSA-N 0 3 243.350 3.206 20 30 BGEDHN Cc1ccc2c(c1)CN(CCCCC#N)C2 ZINC000361587883 136268680 /nfs/dbraw/zinc/26/86/80/136268680.db2.gz QGFNEMASJONMDV-UHFFFAOYSA-N 0 3 214.312 3.005 20 30 BGEDHN CN(CCCC#N)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361592747 136268653 /nfs/dbraw/zinc/26/86/53/136268653.db2.gz WNBBGVVFXQQWON-GHMZBOCLSA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361592764 136268559 /nfs/dbraw/zinc/26/85/59/136268559.db2.gz WNBBGVVFXQQWON-MNOVXSKESA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCC#N)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361592765 136268658 /nfs/dbraw/zinc/26/86/58/136268658.db2.gz WNBBGVVFXQQWON-QWRGUYRKSA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCC#N)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361592766 136268648 /nfs/dbraw/zinc/26/86/48/136268648.db2.gz WNBBGVVFXQQWON-WDEREUQCSA-N 0 3 248.292 3.343 20 30 BGEDHN C=CCCCN1Cc2ccc(C)cc2C1 ZINC000361601966 134206546 /nfs/dbraw/zinc/20/65/46/134206546.db2.gz LISCZKVMAAMMFO-UHFFFAOYSA-N 0 3 201.313 3.277 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361698384 388638825 /nfs/dbraw/zinc/63/88/25/388638825.db2.gz HASJBNNLKMUNKQ-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361698385 187243573 /nfs/dbraw/zinc/24/35/73/187243573.db2.gz HASJBNNLKMUNKQ-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361698444 388638898 /nfs/dbraw/zinc/63/88/98/388638898.db2.gz HTBJQAACDWIHMJ-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CCCCN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000361699331 388638452 /nfs/dbraw/zinc/63/84/52/388638452.db2.gz PRDKIHMUNCDAPD-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361704524 369449400 /nfs/dbraw/zinc/44/94/00/369449400.db2.gz DRFJEFTUUJQMAX-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361706044 369449535 /nfs/dbraw/zinc/44/95/35/369449535.db2.gz NUTSFIRGCAIUEC-CYBMUJFWSA-N 0 3 232.302 3.072 20 30 BGEDHN CC[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361706052 388638855 /nfs/dbraw/zinc/63/88/55/388638855.db2.gz NUTSFIRGCAIUEC-ZDUSSCGKSA-N 0 3 232.302 3.072 20 30 BGEDHN CN(Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC000361713173 398294365 /nfs/dbraw/zinc/29/43/65/398294365.db2.gz WEUHSZUDPJBXTF-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN C[C@H](NCCCC#N)c1ccc2ncsc2c1 ZINC000361752080 134207255 /nfs/dbraw/zinc/20/72/55/134207255.db2.gz VHQCFPKIXYNFKE-JTQLQIEISA-N 0 3 245.351 3.251 20 30 BGEDHN C[C@@H](NCCCC#N)c1ccc2ncsc2c1 ZINC000361752081 134207556 /nfs/dbraw/zinc/20/75/56/134207556.db2.gz VHQCFPKIXYNFKE-SNVBAGLBSA-N 0 3 245.351 3.251 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000361765961 176064118 /nfs/dbraw/zinc/06/41/18/176064118.db2.gz MEFCKFMTNNOJJR-GFCCVEGCSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CCCCCN1Cc1ccc(C#N)c(F)c1 ZINC000361765962 177070033 /nfs/dbraw/zinc/07/00/33/177070033.db2.gz MEFCKFMTNNOJJR-LBPRGKRZSA-N 0 3 246.329 3.462 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832358 177262588 /nfs/dbraw/zinc/26/25/88/177262588.db2.gz JNDBNBBHXMOESL-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832362 176302673 /nfs/dbraw/zinc/30/26/73/176302673.db2.gz JNDBNBBHXMOESL-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361833695 171201502 /nfs/dbraw/zinc/20/15/02/171201502.db2.gz PGRAXGNNBKIVJW-HNNXBMFYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361833696 398294841 /nfs/dbraw/zinc/29/48/41/398294841.db2.gz PGRAXGNNBKIVJW-OAHLLOKOSA-N 0 3 246.329 3.319 20 30 BGEDHN CCN(Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000361837214 369453470 /nfs/dbraw/zinc/45/34/70/369453470.db2.gz KGCSLQWYXZKJEP-UHFFFAOYSA-N 0 3 232.302 3.072 20 30 BGEDHN Cc1ccc2c(c1)CCN(CCCCC#N)C2 ZINC000361838425 134207792 /nfs/dbraw/zinc/20/77/92/134207792.db2.gz BIEKRNWQDNTYNZ-UHFFFAOYSA-N 0 3 228.339 3.047 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1F ZINC000361847245 181106040 /nfs/dbraw/zinc/10/60/40/181106040.db2.gz BOIHYMMONIMCCO-DOMZBBRYSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1F ZINC000361847251 181105055 /nfs/dbraw/zinc/10/50/55/181105055.db2.gz BOIHYMMONIMCCO-IUODEOHRSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1F ZINC000361847252 181105560 /nfs/dbraw/zinc/10/55/60/181105560.db2.gz BOIHYMMONIMCCO-SWLSCSKDSA-N 0 3 244.313 3.072 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000361847254 181105520 /nfs/dbraw/zinc/10/55/20/181105520.db2.gz BOIHYMMONIMCCO-WFASDCNBSA-N 0 3 244.313 3.072 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000361862524 171037312 /nfs/dbraw/zinc/03/73/12/171037312.db2.gz OJWINMPREUMGTC-BXUZGUMPSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000361862529 388638541 /nfs/dbraw/zinc/63/85/41/388638541.db2.gz OJWINMPREUMGTC-FZMZJTMJSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000361862530 386410202 /nfs/dbraw/zinc/41/02/02/386410202.db2.gz OJWINMPREUMGTC-RISCZKNCSA-N 0 3 246.329 3.460 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000361862531 171053837 /nfs/dbraw/zinc/05/38/37/171053837.db2.gz OJWINMPREUMGTC-SMDDNHRTSA-N 0 3 246.329 3.460 20 30 BGEDHN C=C(CC)CN[C@H]1CCCc2c(O)cccc21 ZINC000361928678 534420491 /nfs/dbraw/zinc/42/04/91/534420491.db2.gz WHAXZKLFHHIXRH-AWEZNQCLSA-N 0 3 231.339 3.325 20 30 BGEDHN C=C(CC)CN[C@@H]1CCCc2c(O)cccc21 ZINC000361928680 534419425 /nfs/dbraw/zinc/41/94/25/534419425.db2.gz WHAXZKLFHHIXRH-CQSZACIVSA-N 0 3 231.339 3.325 20 30 BGEDHN N#Cc1ccc(C2=CCN(CCCF)CC2)cc1 ZINC000362107642 187219652 /nfs/dbraw/zinc/21/96/52/187219652.db2.gz XHISGJJZOSTNRN-UHFFFAOYSA-N 0 3 244.313 3.007 20 30 BGEDHN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000362298273 171207066 /nfs/dbraw/zinc/20/70/66/171207066.db2.gz TZYBZMAXRUJZNB-RISCZKNCSA-N 0 3 246.285 3.072 20 30 BGEDHN CCCN(Cc1cccc(F)c1C#N)CC1CC1 ZINC000362305331 169175259 /nfs/dbraw/zinc/17/52/59/169175259.db2.gz MJLIJMFEFOBYFM-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN C=CCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362641406 534774976 /nfs/dbraw/zinc/77/49/76/534774976.db2.gz QMCLIXFRKNZXGO-UHFFFAOYSA-N 0 3 248.757 3.400 20 30 BGEDHN Cc1cc(CN2CCC(C)CC2)ccc1C#N ZINC000362954031 384381074 /nfs/dbraw/zinc/38/10/74/384381074.db2.gz FVUNXTCHPIIZMN-UHFFFAOYSA-N 0 3 228.339 3.099 20 30 BGEDHN Cc1cc(CN2CCCC[C@H]2C)ccc1C#N ZINC000362957526 384381137 /nfs/dbraw/zinc/38/11/37/384381137.db2.gz JNDGOSNFQQZEFD-CYBMUJFWSA-N 0 3 228.339 3.241 20 30 BGEDHN Cc1cc(CN2CCCC[C@@H]2C)ccc1C#N ZINC000362957528 384379191 /nfs/dbraw/zinc/37/91/91/384379191.db2.gz JNDGOSNFQQZEFD-ZDUSSCGKSA-N 0 3 228.339 3.241 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C#N)c(C)c1 ZINC000362959462 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208.349 3.095 20 30 BGEDHN CC#CCCNCc1ccc(Cl)c(C)c1 ZINC000380191194 397778470 /nfs/dbraw/zinc/77/84/70/397778470.db2.gz HJVSSYDYBUELQE-UHFFFAOYSA-N 0 3 221.731 3.151 20 30 BGEDHN C[C@H](C#N)CN[C@@H](C)CCC1CCCC1 ZINC000380220553 346375780 /nfs/dbraw/zinc/37/57/80/346375780.db2.gz JDEJLSCDDSOOFH-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](C#N)CN[C@H](C)CCC1CCCC1 ZINC000380220559 346375898 /nfs/dbraw/zinc/37/58/98/346375898.db2.gz JDEJLSCDDSOOFH-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](C#N)CN[C@@H](C)CCC1CCCC1 ZINC000380220564 346375066 /nfs/dbraw/zinc/37/50/66/346375066.db2.gz JDEJLSCDDSOOFH-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CCC1CCCC1)NC[C@H](C)C#N ZINC000380220572 346375358 /nfs/dbraw/zinc/37/53/58/346375358.db2.gz JDEJLSCDDSOOFH-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCC1(C#N)CC1 ZINC000380221997 344725870 /nfs/dbraw/zinc/72/58/70/344725870.db2.gz JKTFXVYKHHOYTM-GFCCVEGCSA-N 0 3 206.333 3.015 20 30 BGEDHN CC(C)=CCC[C@H](C)NCC1(C#N)CC1 ZINC000380222024 346496778 /nfs/dbraw/zinc/49/67/78/346496778.db2.gz JKTFXVYKHHOYTM-LBPRGKRZSA-N 0 3 206.333 3.015 20 30 BGEDHN C[C@H](CC#N)NCCC1CCCCCC1 ZINC000380233360 343710663 /nfs/dbraw/zinc/71/06/63/343710663.db2.gz LTTLAJUUIXJLCW-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN C[C@@H](CC#N)NCCC1CCCCCC1 ZINC000380233364 346911871 /nfs/dbraw/zinc/91/18/71/346911871.db2.gz LTTLAJUUIXJLCW-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN C#C[C@@H](C)NCc1c(C)cc(Cl)cc1C ZINC000380242011 712843244 /nfs/dbraw/zinc/84/32/44/712843244.db2.gz NLNWZDRJUSBOCI-LLVKDONJSA-N 0 3 221.731 3.068 20 30 BGEDHN C#C[C@H](C)NCc1c(C)cc(Cl)cc1C ZINC000380242016 712843184 /nfs/dbraw/zinc/84/31/84/712843184.db2.gz NLNWZDRJUSBOCI-NSHDSACASA-N 0 3 221.731 3.068 20 30 BGEDHN C=CCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000380283201 345292457 /nfs/dbraw/zinc/29/24/57/345292457.db2.gz ZKHZJYGBNYPDTQ-GWCFXTLKSA-N 0 3 221.731 3.351 20 30 BGEDHN C=CCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000380283204 345292641 /nfs/dbraw/zinc/29/26/41/345292641.db2.gz ZKHZJYGBNYPDTQ-GXFFZTMASA-N 0 3 221.731 3.351 20 30 BGEDHN C=CCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000380283208 345293212 /nfs/dbraw/zinc/29/32/12/345293212.db2.gz ZKHZJYGBNYPDTQ-MFKMUULPSA-N 0 3 221.731 3.351 20 30 BGEDHN C=CCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000380283214 345293358 /nfs/dbraw/zinc/29/33/58/345293358.db2.gz ZKHZJYGBNYPDTQ-ZWNOBZJWSA-N 0 3 221.731 3.351 20 30 BGEDHN CC[C@@H](C)[C@H](C)NCC1(C#N)CCCC1 ZINC000380294174 343720856 /nfs/dbraw/zinc/72/08/56/343720856.db2.gz CFXLLVOXWNACCO-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](C)[C@@H](C)NCC1(C#N)CCCC1 ZINC000380294186 343720877 /nfs/dbraw/zinc/72/08/77/343720877.db2.gz CFXLLVOXWNACCO-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](C)[C@H](C)NCC1(C#N)CCCC1 ZINC000380294188 343720990 /nfs/dbraw/zinc/72/09/90/343720990.db2.gz CFXLLVOXWNACCO-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H](C)[C@@H](C)NCC1(C#N)CCCC1 ZINC000380294195 343720972 /nfs/dbraw/zinc/72/09/72/343720972.db2.gz CFXLLVOXWNACCO-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](C#N)CNCCC1CCCCCC1 ZINC000380306219 367175793 /nfs/dbraw/zinc/17/57/93/367175793.db2.gz FQNAPNWIHBNKMO-GFCCVEGCSA-N 0 3 208.349 3.096 20 30 BGEDHN C[C@@H](C#N)CNCCC1CCCCCC1 ZINC000380306220 367175198 /nfs/dbraw/zinc/17/51/98/367175198.db2.gz FQNAPNWIHBNKMO-LBPRGKRZSA-N 0 3 208.349 3.096 20 30 BGEDHN CCCC[C@@H](CC)CCNC[C@H](C)C#N ZINC000380337996 346872960 /nfs/dbraw/zinc/87/29/60/346872960.db2.gz QSWZYVPTQPSJPY-CHWSQXEVSA-N 0 3 210.365 3.342 20 30 BGEDHN CCCC[C@H](CC)CCNC[C@H](C)C#N ZINC000380337998 346873323 /nfs/dbraw/zinc/87/33/23/346873323.db2.gz QSWZYVPTQPSJPY-OLZOCXBDSA-N 0 3 210.365 3.342 20 30 BGEDHN CCCC[C@@H](CC)CCNC[C@@H](C)C#N ZINC000380337999 346872889 /nfs/dbraw/zinc/87/28/89/346872889.db2.gz QSWZYVPTQPSJPY-QWHCGFSZSA-N 0 3 210.365 3.342 20 30 BGEDHN CCCC[C@H](CC)CCNC[C@@H](C)C#N ZINC000380338000 346873246 /nfs/dbraw/zinc/87/32/46/346873246.db2.gz QSWZYVPTQPSJPY-STQMWFEESA-N 0 3 210.365 3.342 20 30 BGEDHN C=CCCCCNCc1c(F)cccc1F ZINC000380552781 367240838 /nfs/dbraw/zinc/24/08/38/367240838.db2.gz KGTTVTZSSAGQJB-UHFFFAOYSA-N 0 3 225.282 3.411 20 30 BGEDHN C=CCCCCNCc1cc(F)ccc1F ZINC000380583814 367247324 /nfs/dbraw/zinc/24/73/24/367247324.db2.gz QMTBDXHHHQMMMG-UHFFFAOYSA-N 0 3 225.282 3.411 20 30 BGEDHN C#C[C@H](NCc1ccccc1OC(C)C)C(C)C ZINC000380592933 712901773 /nfs/dbraw/zinc/90/17/73/712901773.db2.gz VUTSGFVJYSDTHX-HNNXBMFYSA-N 0 3 245.366 3.221 20 30 BGEDHN C#C[C@@H](NCc1ccccc1OC(C)C)C(C)C ZINC000380592934 712901959 /nfs/dbraw/zinc/90/19/59/712901959.db2.gz VUTSGFVJYSDTHX-OAHLLOKOSA-N 0 3 245.366 3.221 20 30 BGEDHN CC(C)C1CCC(CNC[C@@H](C)C#N)CC1 ZINC000380651332 344428828 /nfs/dbraw/zinc/42/88/28/344428828.db2.gz QFNVLOGLQSJQLQ-HSBZDZAISA-N 0 3 222.376 3.198 20 30 BGEDHN CC(C)C1CCC(CNC[C@H](C)C#N)CC1 ZINC000380651341 344428877 /nfs/dbraw/zinc/42/88/77/344428877.db2.gz QFNVLOGLQSJQLQ-IYXRBSQSSA-N 0 3 222.376 3.198 20 30 BGEDHN C=CCCCCCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000380697633 712902495 /nfs/dbraw/zinc/90/24/95/712902495.db2.gz WGYRZCDKWOBTMA-UHFFFAOYSA-N 0 3 248.370 3.322 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000380741280 344437083 /nfs/dbraw/zinc/43/70/83/344437083.db2.gz RVXQSHRZOONEQZ-GHMZBOCLSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000380741286 344437054 /nfs/dbraw/zinc/43/70/54/344437054.db2.gz RVXQSHRZOONEQZ-MNOVXSKESA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000380741289 344437106 /nfs/dbraw/zinc/43/71/06/344437106.db2.gz RVXQSHRZOONEQZ-QWRGUYRKSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000380741290 344437060 /nfs/dbraw/zinc/43/70/60/344437060.db2.gz RVXQSHRZOONEQZ-WDEREUQCSA-N 0 3 248.757 3.442 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CCCCC12CCCC2 ZINC000380972042 367327030 /nfs/dbraw/zinc/32/70/30/367327030.db2.gz ARIIGKJJRDOWHJ-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CCCCC12CCCC2 ZINC000380972055 367326161 /nfs/dbraw/zinc/32/61/61/367326161.db2.gz ARIIGKJJRDOWHJ-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](C#N)CN[C@@H]1CCCCC12CCCC2 ZINC000380972059 367327573 /nfs/dbraw/zinc/32/75/73/367327573.db2.gz ARIIGKJJRDOWHJ-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](C#N)CN[C@H]1CCCCC12CCCC2 ZINC000380972065 367327756 /nfs/dbraw/zinc/32/77/56/367327756.db2.gz ARIIGKJJRDOWHJ-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](CCC1CCCC1)NCC1(C#N)CC1 ZINC000381036103 344471794 /nfs/dbraw/zinc/47/17/94/344471794.db2.gz CQZXAOZCKXXIDO-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CCC1CCCC1)NCC1(C#N)CC1 ZINC000381036105 343827714 /nfs/dbraw/zinc/82/77/14/343827714.db2.gz CQZXAOZCKXXIDO-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C=CCCCNCc1nc2ccccc2n1CC ZINC000381072976 343934832 /nfs/dbraw/zinc/93/48/32/343934832.db2.gz DCNSUKXTZDZXEG-UHFFFAOYSA-N 0 3 243.354 3.112 20 30 BGEDHN C#CCNC(C)(C)c1ccc(C(C)C)cc1 ZINC000381112469 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BGEDHN C=C(C)COCCN[C@H](C)c1csc(C)c1 ZINC000381581279 367432336 /nfs/dbraw/zinc/43/23/36/367432336.db2.gz JPOAQIKJZINFQA-GFCCVEGCSA-N 0 3 239.384 3.300 20 30 BGEDHN C=C(C)COCCN[C@@H](C)c1csc(C)c1 ZINC000381581280 367431877 /nfs/dbraw/zinc/43/18/77/367431877.db2.gz JPOAQIKJZINFQA-LBPRGKRZSA-N 0 3 239.384 3.300 20 30 BGEDHN C#C[C@H](NC1CCCC1)c1ccc(F)cc1 ZINC000381628731 710664064 /nfs/dbraw/zinc/66/40/64/710664064.db2.gz OAMKOZVARMNZKD-AWEZNQCLSA-N 0 3 217.287 3.032 20 30 BGEDHN C#C[C@@H](NC1CCCC1)c1ccc(F)cc1 ZINC000381628733 710663716 /nfs/dbraw/zinc/66/37/16/710663716.db2.gz OAMKOZVARMNZKD-CQSZACIVSA-N 0 3 217.287 3.032 20 30 BGEDHN CC[C@H](C)CON=C(C)c1ccc(N)cc1 ZINC000381674857 710670253 /nfs/dbraw/zinc/67/02/53/710670253.db2.gz XDLFJOMVBJCIJI-JTQLQIEISA-N 0 3 220.316 3.056 20 30 BGEDHN CC[C@@H](C)CON=C(C)c1ccc(N)cc1 ZINC000381674868 710671077 /nfs/dbraw/zinc/67/10/77/710671077.db2.gz XDLFJOMVBJCIJI-SNVBAGLBSA-N 0 3 220.316 3.056 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccsc1 ZINC000381727271 344584937 /nfs/dbraw/zinc/58/49/37/344584937.db2.gz MUYXBUNOZRJLIQ-DMDPSCGWSA-N 0 3 234.368 3.481 20 30 BGEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000381727276 344584927 /nfs/dbraw/zinc/58/49/27/344584927.db2.gz MUYXBUNOZRJLIQ-GMXVVIOVSA-N 0 3 234.368 3.481 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000381727277 344584695 /nfs/dbraw/zinc/58/46/95/344584695.db2.gz MUYXBUNOZRJLIQ-GVXVVHGQSA-N 0 3 234.368 3.481 20 30 BGEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccsc1 ZINC000381727278 344585040 /nfs/dbraw/zinc/58/50/40/344585040.db2.gz MUYXBUNOZRJLIQ-LOWVWBTDSA-N 0 3 234.368 3.481 20 30 BGEDHN CCCC[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000381727323 353773730 /nfs/dbraw/zinc/77/37/30/353773730.db2.gz MVTPMWLBGSWBLI-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCC[C@@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000381727325 346758726 /nfs/dbraw/zinc/75/87/26/346758726.db2.gz MVTPMWLBGSWBLI-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCC[C@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000381727332 353774684 /nfs/dbraw/zinc/77/46/84/353774684.db2.gz MVTPMWLBGSWBLI-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCC[C@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000381727333 346758776 /nfs/dbraw/zinc/75/87/76/346758776.db2.gz MVTPMWLBGSWBLI-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C=CCCCNCc1c(F)cccc1CC ZINC000381774142 367457027 /nfs/dbraw/zinc/45/70/27/367457027.db2.gz WOOSSPTURBVBRB-UHFFFAOYSA-N 0 3 221.319 3.444 20 30 BGEDHN CCCC[C@@H]1CCC[C@H]1NCC(C)(C)C#N ZINC000381780591 346856602 /nfs/dbraw/zinc/85/66/02/346856602.db2.gz XUYDBIIBXZFMLL-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@@H]1CCC[C@@H]1NCC(C)(C)C#N ZINC000381780594 346856561 /nfs/dbraw/zinc/85/65/61/346856561.db2.gz XUYDBIIBXZFMLL-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@H]1CCC[C@H]1NCC(C)(C)C#N ZINC000381780596 367456107 /nfs/dbraw/zinc/45/61/07/367456107.db2.gz XUYDBIIBXZFMLL-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@H]1CCC[C@@H]1NCC(C)(C)C#N ZINC000381780597 367456604 /nfs/dbraw/zinc/45/66/04/367456604.db2.gz XUYDBIIBXZFMLL-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN N#CC1(CNCCC2CCCCCC2)CC1 ZINC000381812245 367459682 /nfs/dbraw/zinc/45/96/82/367459682.db2.gz IAICGEYOLCSTKW-UHFFFAOYSA-N 0 3 220.360 3.240 20 30 BGEDHN C=CCC(C)(C)CNCc1ccncc1Cl ZINC000381825087 361529272 /nfs/dbraw/zinc/52/92/72/361529272.db2.gz LNBOOSWICGQKTB-UHFFFAOYSA-N 0 3 238.762 3.427 20 30 BGEDHN CN(Cc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000382093114 347247153 /nfs/dbraw/zinc/24/71/53/347247153.db2.gz HJFLKVXJKOMXGM-UHFFFAOYSA-N 0 3 236.746 3.442 20 30 BGEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000382164583 367491645 /nfs/dbraw/zinc/49/16/45/367491645.db2.gz UNASACRSANLSRV-UWVGGRQHSA-N 0 3 238.718 3.105 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000382217568 349280253 /nfs/dbraw/zinc/28/02/53/349280253.db2.gz UAULUCXUDICZKC-BZTHDZJNSA-N 0 3 234.387 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382217570 349280581 /nfs/dbraw/zinc/28/05/81/349280581.db2.gz UAULUCXUDICZKC-HTXSYXIBSA-N 0 3 234.387 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382217572 349280767 /nfs/dbraw/zinc/28/07/67/349280767.db2.gz UAULUCXUDICZKC-RUOPDXTDSA-N 0 3 234.387 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382217573 349280755 /nfs/dbraw/zinc/28/07/55/349280755.db2.gz UAULUCXUDICZKC-RYKAKRHSSA-N 0 3 234.387 3.483 20 30 BGEDHN C=C(C)CNCc1cc(C)cc(Cl)c1 ZINC000382278056 367502587 /nfs/dbraw/zinc/50/25/87/367502587.db2.gz IHKGDRKAVNCKCE-UHFFFAOYSA-N 0 3 209.720 3.314 20 30 BGEDHN CCCCCCCNCc1cnn(C)c1Cl ZINC000382333472 710971407 /nfs/dbraw/zinc/97/14/07/710971407.db2.gz XHFSAZIUGVKHJK-UHFFFAOYSA-N 0 3 243.782 3.134 20 30 BGEDHN CC[C@@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000382764795 351047613 /nfs/dbraw/zinc/04/76/13/351047613.db2.gz BKVGQVJJSCIXIY-GFCCVEGCSA-N 0 3 249.383 3.073 20 30 BGEDHN CC[C@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000382764803 351047087 /nfs/dbraw/zinc/04/70/87/351047087.db2.gz BKVGQVJJSCIXIY-LBPRGKRZSA-N 0 3 249.383 3.073 20 30 BGEDHN C=C(CNC[C@H](CCC)OC)c1ccccc1 ZINC000383160580 398007619 /nfs/dbraw/zinc/00/76/19/398007619.db2.gz COSBPAMQXNYEFQ-HNNXBMFYSA-N 0 3 233.355 3.105 20 30 BGEDHN C=C(CNC[C@@H](CCC)OC)c1ccccc1 ZINC000383160582 398008150 /nfs/dbraw/zinc/00/81/50/398008150.db2.gz COSBPAMQXNYEFQ-OAHLLOKOSA-N 0 3 233.355 3.105 20 30 BGEDHN C[C@H](c1ccccc1)N(C)CC1(CC#N)CC1 ZINC000383941074 355805211 /nfs/dbraw/zinc/80/52/11/355805211.db2.gz LRKNZFDILAUXLA-CYBMUJFWSA-N 0 3 228.339 3.373 20 30 BGEDHN C[C@@H](c1ccccc1)N(C)CC1(CC#N)CC1 ZINC000383941075 355805323 /nfs/dbraw/zinc/80/53/23/355805323.db2.gz LRKNZFDILAUXLA-ZDUSSCGKSA-N 0 3 228.339 3.373 20 30 BGEDHN C=CCOCCNCc1ccc(C(C)C)cc1 ZINC000384112946 539012549 /nfs/dbraw/zinc/01/25/49/539012549.db2.gz DYXBRGQHRUKVBA-UHFFFAOYSA-N 0 3 233.355 3.102 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccc(F)cc1C ZINC000384122343 710989069 /nfs/dbraw/zinc/98/90/69/710989069.db2.gz AGENPGZCILDDAU-AWEZNQCLSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccc(F)cc1C ZINC000384122351 710989244 /nfs/dbraw/zinc/98/92/44/710989244.db2.gz AGENPGZCILDDAU-CQSZACIVSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@](C)(CC)NCc1cc(C)sc1C ZINC000384131785 710989661 /nfs/dbraw/zinc/98/96/61/710989661.db2.gz AUHONNCFTWBVLG-CYBMUJFWSA-N 0 3 221.369 3.256 20 30 BGEDHN C#C[C@@](C)(CC)NCc1cc(C)sc1C ZINC000384131790 710989076 /nfs/dbraw/zinc/98/90/76/710989076.db2.gz AUHONNCFTWBVLG-ZDUSSCGKSA-N 0 3 221.369 3.256 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccc(Cl)s1 ZINC000384181612 710991289 /nfs/dbraw/zinc/99/12/89/710991289.db2.gz QFYDPXXHZJNJHD-LLVKDONJSA-N 0 3 227.760 3.293 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccc(Cl)s1 ZINC000384181613 710991349 /nfs/dbraw/zinc/99/13/49/710991349.db2.gz QFYDPXXHZJNJHD-NSHDSACASA-N 0 3 227.760 3.293 20 30 BGEDHN C#C[C@@](C)(CC)NCc1cc(F)ccc1C ZINC000384191258 710813479 /nfs/dbraw/zinc/81/34/79/710813479.db2.gz HFPQQJBPOCNJBB-AWEZNQCLSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@](C)(CC)NCc1cc(F)ccc1C ZINC000384191259 710813979 /nfs/dbraw/zinc/81/39/79/710813979.db2.gz HFPQQJBPOCNJBB-CQSZACIVSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccc(C)c(F)c1 ZINC000384231469 710992649 /nfs/dbraw/zinc/99/26/49/710992649.db2.gz XOFQQWPKNXKQOS-AWEZNQCLSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccc(C)c(F)c1 ZINC000384231474 710993066 /nfs/dbraw/zinc/99/30/66/710993066.db2.gz XOFQQWPKNXKQOS-CQSZACIVSA-N 0 3 219.303 3.026 20 30 BGEDHN C#C[C@@](C)(CC)NCc1cc2ccccc2o1 ZINC000384236074 710993367 /nfs/dbraw/zinc/99/33/67/710993367.db2.gz ZBGQGMIHLNKXJF-HNNXBMFYSA-N 0 3 227.307 3.324 20 30 BGEDHN C#C[C@](C)(CC)NCc1cc2ccccc2o1 ZINC000384236077 710992776 /nfs/dbraw/zinc/99/27/76/710992776.db2.gz ZBGQGMIHLNKXJF-OAHLLOKOSA-N 0 3 227.307 3.324 20 30 BGEDHN C#C[C@H](NCc1cccc(OC(C)C)c1)C(C)C ZINC000384396477 710993383 /nfs/dbraw/zinc/99/33/83/710993383.db2.gz FSSLBLWTLWGIPL-INIZCTEOSA-N 0 3 245.366 3.221 20 30 BGEDHN C#C[C@@H](NCc1cccc(OC(C)C)c1)C(C)C ZINC000384396478 710992470 /nfs/dbraw/zinc/99/24/70/710992470.db2.gz FSSLBLWTLWGIPL-MRXNPFEDSA-N 0 3 245.366 3.221 20 30 BGEDHN N#CCC1(CN(Cc2ccccc2)C2CC2)CC1 ZINC000384414125 356645880 /nfs/dbraw/zinc/64/58/80/356645880.db2.gz NBWLWJJNLBYVOJ-UHFFFAOYSA-N 0 3 240.350 3.345 20 30 BGEDHN C=CCSCCNCc1cccc(C)c1F ZINC000384450321 367692980 /nfs/dbraw/zinc/69/29/80/367692980.db2.gz GUGLVKKXOVBCJN-UHFFFAOYSA-N 0 3 239.359 3.143 20 30 BGEDHN C[C@@H](CC(C)(C)C)NCc1ccc(C#N)o1 ZINC000384504149 356662804 /nfs/dbraw/zinc/66/28/04/356662804.db2.gz DNHDOJOUPMLDCV-JTQLQIEISA-N 0 3 220.316 3.066 20 30 BGEDHN C[C@H](CC(C)(C)C)NCc1ccc(C#N)o1 ZINC000384504150 356663027 /nfs/dbraw/zinc/66/30/27/356663027.db2.gz DNHDOJOUPMLDCV-SNVBAGLBSA-N 0 3 220.316 3.066 20 30 BGEDHN C=CC[C@@H](C)NCc1cccc(C)c1F ZINC000384601355 367706962 /nfs/dbraw/zinc/70/69/62/367706962.db2.gz FXLINCASQWNQAD-LLVKDONJSA-N 0 3 207.292 3.188 20 30 BGEDHN C=CC[C@H](C)NCc1cccc(C)c1F ZINC000384601367 367707272 /nfs/dbraw/zinc/70/72/72/367707272.db2.gz FXLINCASQWNQAD-NSHDSACASA-N 0 3 207.292 3.188 20 30 BGEDHN C=CC(C)(C)CNCc1ccc(F)cc1F ZINC000384840987 367741563 /nfs/dbraw/zinc/74/15/63/367741563.db2.gz IQYILJLXLRWPEX-UHFFFAOYSA-N 0 3 225.282 3.267 20 30 BGEDHN C=CC(C)(C)CNCc1cccc(OC)c1F ZINC000384841775 398111193 /nfs/dbraw/zinc/11/11/93/398111193.db2.gz IXYVKQJXSPPAMK-UHFFFAOYSA-N 0 3 237.318 3.136 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(F)cn1 ZINC000384851486 367742430 /nfs/dbraw/zinc/74/24/30/367742430.db2.gz LRXGHLDKTRVKGF-JTQLQIEISA-N 0 3 222.307 3.084 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1ccc(F)cn1 ZINC000384851487 367742293 /nfs/dbraw/zinc/74/22/93/367742293.db2.gz LRXGHLDKTRVKGF-SNVBAGLBSA-N 0 3 222.307 3.084 20 30 BGEDHN C=CC(C)(C)CNCc1cc(F)ccc1F ZINC000384868239 367748160 /nfs/dbraw/zinc/74/81/60/367748160.db2.gz QGNVNXBQPURCID-UHFFFAOYSA-N 0 3 225.282 3.267 20 30 BGEDHN C=CC(C)(C)CNCc1cccc(F)c1F ZINC000384886583 367750491 /nfs/dbraw/zinc/75/04/91/367750491.db2.gz WPMMFJVQNHQYHB-UHFFFAOYSA-N 0 3 225.282 3.267 20 30 BGEDHN C=CC(C)(C)CNCc1c(F)cccc1F ZINC000384891223 367752382 /nfs/dbraw/zinc/75/23/82/367752382.db2.gz YFHRMWXAJVSTCY-UHFFFAOYSA-N 0 3 225.282 3.267 20 30 BGEDHN C=CC(C)(C)CNCc1cc(F)c(F)cc1F ZINC000384910127 367755755 /nfs/dbraw/zinc/75/57/55/367755755.db2.gz BSBIISAQSQGIOK-UHFFFAOYSA-N 0 3 243.272 3.406 20 30 BGEDHN C=CC(C)(C)CNCc1ccccc1F ZINC000384915027 367756293 /nfs/dbraw/zinc/75/62/93/367756293.db2.gz CYCUQVOPYWJXAU-UHFFFAOYSA-N 0 3 207.292 3.128 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000384922733 367759212 /nfs/dbraw/zinc/75/92/12/367759212.db2.gz FUILMAOMIOMDSF-LLVKDONJSA-N 0 3 207.317 3.451 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000384922801 367758903 /nfs/dbraw/zinc/75/89/03/367758903.db2.gz FUILMAOMIOMDSF-NSHDSACASA-N 0 3 207.317 3.451 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000384924649 710999805 /nfs/dbraw/zinc/99/98/05/710999805.db2.gz HCJMLPAIGUPDED-GFCCVEGCSA-N 0 3 231.339 3.181 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000384924651 710999273 /nfs/dbraw/zinc/99/92/73/710999273.db2.gz HCJMLPAIGUPDED-LBPRGKRZSA-N 0 3 231.339 3.181 20 30 BGEDHN C=CC(C)(C)CNCc1ccc(CC)o1 ZINC000384926801 367758734 /nfs/dbraw/zinc/75/87/34/367758734.db2.gz GMWSCYNCZDZKSJ-UHFFFAOYSA-N 0 3 207.317 3.144 20 30 BGEDHN CC/C=C\CN[C@H](C)c1cccc(C#N)c1 ZINC000384930253 356805692 /nfs/dbraw/zinc/80/56/92/356805692.db2.gz CWEMQNGWERAGQD-QMAVJUDZSA-N 0 3 214.312 3.175 20 30 BGEDHN CC/C=C\CN[C@@H](C)c1cccc(C#N)c1 ZINC000384930259 356805637 /nfs/dbraw/zinc/80/56/37/356805637.db2.gz CWEMQNGWERAGQD-RXNFCKPNSA-N 0 3 214.312 3.175 20 30 BGEDHN C=CC(C)(C)CN[C@H](CC)c1ccc(F)cn1 ZINC000385028938 367775530 /nfs/dbraw/zinc/77/55/30/367775530.db2.gz KBBUESDTMWKTLN-GFCCVEGCSA-N 0 3 236.334 3.474 20 30 BGEDHN C=CC(C)(C)CN[C@@H](CC)c1ccc(F)cn1 ZINC000385028940 367776086 /nfs/dbraw/zinc/77/60/86/367776086.db2.gz KBBUESDTMWKTLN-LBPRGKRZSA-N 0 3 236.334 3.474 20 30 BGEDHN C=CC(C)(C)CNCc1ccc(Cl)o1 ZINC000385033747 367775322 /nfs/dbraw/zinc/77/53/22/367775322.db2.gz LNPWYLJLEWDQOJ-UHFFFAOYSA-N 0 3 213.708 3.235 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cscn1 ZINC000385042791 367777629 /nfs/dbraw/zinc/77/76/29/367777629.db2.gz OMGLQUWQWYSABC-SECBINFHSA-N 0 3 210.346 3.006 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cscn1 ZINC000385042792 367776887 /nfs/dbraw/zinc/77/68/87/367776887.db2.gz OMGLQUWQWYSABC-VIFPVBQESA-N 0 3 210.346 3.006 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cncs1 ZINC000385054806 367780528 /nfs/dbraw/zinc/78/05/28/367780528.db2.gz RVTNDTFFORDKIS-SECBINFHSA-N 0 3 210.346 3.006 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cncs1 ZINC000385054807 367780339 /nfs/dbraw/zinc/78/03/39/367780339.db2.gz RVTNDTFFORDKIS-VIFPVBQESA-N 0 3 210.346 3.006 20 30 BGEDHN C=CC(C)(C)CNCc1nc(C)c(C)s1 ZINC000385061159 712708196 /nfs/dbraw/zinc/70/81/96/712708196.db2.gz UKAFPFHWRVOSQL-UHFFFAOYSA-N 0 3 224.373 3.062 20 30 BGEDHN C=CC(C)(C)CNCc1cc(F)ccc1OC ZINC000385063126 388573471 /nfs/dbraw/zinc/57/34/71/388573471.db2.gz UWDAEUKHJIVLTE-UHFFFAOYSA-N 0 3 237.318 3.136 20 30 BGEDHN C=CC(C)(C)CNCc1ccncc1Cl ZINC000385065783 388573819 /nfs/dbraw/zinc/57/38/19/388573819.db2.gz VJUNGIZBRQQXGI-UHFFFAOYSA-N 0 3 224.735 3.037 20 30 BGEDHN CC/C=C\CN[C@H](C)c1ccc(C#N)cc1 ZINC000385083722 356892680 /nfs/dbraw/zinc/89/26/80/356892680.db2.gz XAKANUVMTZSXMC-QMAVJUDZSA-N 0 3 214.312 3.175 20 30 BGEDHN CC/C=C\CN[C@@H](C)c1ccc(C#N)cc1 ZINC000385083729 356892844 /nfs/dbraw/zinc/89/28/44/356892844.db2.gz XAKANUVMTZSXMC-RXNFCKPNSA-N 0 3 214.312 3.175 20 30 BGEDHN C=CC(C)(C)CNCc1cccc(OC)c1OC ZINC000385114543 367794232 /nfs/dbraw/zinc/79/42/32/367794232.db2.gz DQJHNVPRJIIJIL-UHFFFAOYSA-N 0 3 249.354 3.006 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000385249108 711008314 /nfs/dbraw/zinc/00/83/14/711008314.db2.gz WSRRYJWHCOKZHJ-LLVKDONJSA-N 0 3 219.328 3.255 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000385249114 711008573 /nfs/dbraw/zinc/00/85/73/711008573.db2.gz WSRRYJWHCOKZHJ-NSHDSACASA-N 0 3 219.328 3.255 20 30 BGEDHN CC[C@@H](CC#N)NC1CCC(CSC)CC1 ZINC000385389030 367825190 /nfs/dbraw/zinc/82/51/90/367825190.db2.gz RTPVIMZOJATVIA-CPCZMJQVSA-N 0 3 240.416 3.190 20 30 BGEDHN CC[C@H](CC#N)NC1CCC(CSC)CC1 ZINC000385389031 367825344 /nfs/dbraw/zinc/82/53/44/367825344.db2.gz RTPVIMZOJATVIA-OTTFEQOBSA-N 0 3 240.416 3.190 20 30 BGEDHN CSCC1CCC(NCC(C)(C)C#N)CC1 ZINC000385405594 367826547 /nfs/dbraw/zinc/82/65/47/367826547.db2.gz FFZWQPPQPBIPEG-UHFFFAOYSA-N 0 3 240.416 3.048 20 30 BGEDHN C=CC(C)(C)CNCc1csc(CC)n1 ZINC000385420003 367827234 /nfs/dbraw/zinc/82/72/34/367827234.db2.gz AMPBUXMANPSVSJ-UHFFFAOYSA-N 0 3 224.373 3.007 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)cc1F ZINC000385437874 358170917 /nfs/dbraw/zinc/17/09/17/358170917.db2.gz GRURHCGYTIXMTD-UKRRQHHQSA-N 0 3 246.329 3.222 20 30 BGEDHN C=CCOCCNCc1ccc2ccccc2c1 ZINC000385446931 585037191 /nfs/dbraw/zinc/03/71/91/585037191.db2.gz WQVGPKNZCSOLMB-UHFFFAOYSA-N 0 3 241.334 3.132 20 30 BGEDHN C=CC(C)(C)CNCc1ccc(OC)cc1OC ZINC000385459757 367830893 /nfs/dbraw/zinc/83/08/93/367830893.db2.gz KQZTVCIYBYNDIO-UHFFFAOYSA-N 0 3 249.354 3.006 20 30 BGEDHN C=CC(C)(C)CNCc1cc(OC)ccc1OC ZINC000385467486 367830761 /nfs/dbraw/zinc/83/07/61/367830761.db2.gz LYLMPBSWVHIXTJ-UHFFFAOYSA-N 0 3 249.354 3.006 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1csc(C)n1 ZINC000385477729 367833915 /nfs/dbraw/zinc/83/39/15/367833915.db2.gz NIBQXYNESNSGDQ-SECBINFHSA-N 0 3 224.373 3.314 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1csc(C)n1 ZINC000385477762 367833690 /nfs/dbraw/zinc/83/36/90/367833690.db2.gz NIBQXYNESNSGDQ-VIFPVBQESA-N 0 3 224.373 3.314 20 30 BGEDHN C=CCCCCNCc1nn(C)c2ccccc12 ZINC000385822549 566494527 /nfs/dbraw/zinc/49/45/27/566494527.db2.gz PDAWRXKHFLTXFS-UHFFFAOYSA-N 0 3 243.354 3.019 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)s1 ZINC000385822792 359857122 /nfs/dbraw/zinc/85/71/22/359857122.db2.gz KEKVBTSLIJARKE-ZWNOBZJWSA-N 0 3 234.368 3.144 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1NCc1cc(C#N)cs1 ZINC000385889890 360438948 /nfs/dbraw/zinc/43/89/48/360438948.db2.gz YYRUDMYSJMEWJD-DGCLKSJQSA-N 0 3 234.368 3.144 20 30 BGEDHN C=C(C)CCN[C@H](CC)c1ccc(F)cn1 ZINC000386649512 345000141 /nfs/dbraw/zinc/00/01/41/345000141.db2.gz BIRWBNNXVQTQSR-GFCCVEGCSA-N 0 3 222.307 3.228 20 30 BGEDHN C=C(C)CCN[C@@H](CC)c1ccc(F)cn1 ZINC000386649513 345000038 /nfs/dbraw/zinc/00/00/38/345000038.db2.gz BIRWBNNXVQTQSR-LBPRGKRZSA-N 0 3 222.307 3.228 20 30 BGEDHN C=C(C)CCNCc1ccccc1OCC ZINC000386660473 368007392 /nfs/dbraw/zinc/00/73/92/368007392.db2.gz DKTTXYBSRIRHPW-UHFFFAOYSA-N 0 3 219.328 3.141 20 30 BGEDHN C=C(C)CCNCc1cc(C)ccc1OC ZINC000386661019 368006912 /nfs/dbraw/zinc/00/69/12/368006912.db2.gz DMHYBDRDBUETHM-UHFFFAOYSA-N 0 3 219.328 3.059 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000386668654 711034362 /nfs/dbraw/zinc/03/43/62/711034362.db2.gz FYUFSYHYUBJDHW-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000386668656 711034557 /nfs/dbraw/zinc/03/45/57/711034557.db2.gz FYUFSYHYUBJDHW-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CCNCc1cc(F)c(F)c(F)c1 ZINC000386710263 368012270 /nfs/dbraw/zinc/01/22/70/368012270.db2.gz PERJGORHOKHVCK-UHFFFAOYSA-N 0 3 229.245 3.160 20 30 BGEDHN C=C(C)CCNCc1nn(CC)c2ccccc12 ZINC000386715422 368012247 /nfs/dbraw/zinc/01/22/47/368012247.db2.gz QPXDCYZPYXJKRD-UHFFFAOYSA-N 0 3 243.354 3.112 20 30 BGEDHN C=C(C)CCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000386722539 368013058 /nfs/dbraw/zinc/01/30/58/368013058.db2.gz SKOXMYRLXOYWIL-AAEUAGOBSA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(C)CCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000386722540 368013129 /nfs/dbraw/zinc/01/31/29/368013129.db2.gz SKOXMYRLXOYWIL-DGCLKSJQSA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(C)CCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000386722541 368013277 /nfs/dbraw/zinc/01/32/77/368013277.db2.gz SKOXMYRLXOYWIL-WCQYABFASA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(C)CCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000386722542 368013413 /nfs/dbraw/zinc/01/34/13/368013413.db2.gz SKOXMYRLXOYWIL-YPMHNXCESA-N 0 3 219.328 3.459 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000386727964 711649905 /nfs/dbraw/zinc/64/99/05/711649905.db2.gz UPHDVXYFMAFWDU-GFCCVEGCSA-N 0 3 219.328 3.317 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000386727965 711649705 /nfs/dbraw/zinc/64/97/05/711649705.db2.gz UPHDVXYFMAFWDU-LBPRGKRZSA-N 0 3 219.328 3.317 20 30 BGEDHN C=C(C)CCNCc1cnc(C(C)(C)C)s1 ZINC000386752011 368017776 /nfs/dbraw/zinc/01/77/76/368017776.db2.gz GTHKTTGAXFZCDB-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C=C(C)CCNCc1csc(C(C)(C)C)n1 ZINC000386757137 368017625 /nfs/dbraw/zinc/01/76/25/368017625.db2.gz HSMGUYBDKHLUBB-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C=C(C)CCN[C@H](C)c1c(F)cccc1OC ZINC000386772682 368020783 /nfs/dbraw/zinc/02/07/83/368020783.db2.gz KQQUMYHNZZOXLV-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1c(F)cccc1OC ZINC000386772683 368021001 /nfs/dbraw/zinc/02/10/01/368021001.db2.gz KQQUMYHNZZOXLV-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccc(OC)cc1F ZINC000386786883 368021481 /nfs/dbraw/zinc/02/14/81/368021481.db2.gz NLNUKGIJUUIEIW-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000386786886 368022241 /nfs/dbraw/zinc/02/22/41/368022241.db2.gz NLNUKGIJUUIEIW-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CCNCc1ccccc1OC(F)F ZINC000386797283 368023333 /nfs/dbraw/zinc/02/33/33/368023333.db2.gz PKPXYEDJLULPRI-UHFFFAOYSA-N 0 3 241.281 3.344 20 30 BGEDHN C=C(C)CCNCc1cc(C)ccc1F ZINC000386797752 368022893 /nfs/dbraw/zinc/02/28/93/368022893.db2.gz BCKGUVMLRULYPJ-UHFFFAOYSA-N 0 3 207.292 3.190 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccc(OC)cc1OC ZINC000386821632 368026077 /nfs/dbraw/zinc/02/60/77/368026077.db2.gz UEWCUQZUQWVSMI-GFCCVEGCSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000386821634 368025409 /nfs/dbraw/zinc/02/54/09/368025409.db2.gz UEWCUQZUQWVSMI-LBPRGKRZSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CCNCc1nc2ccccc2n1CC ZINC000386835030 398266211 /nfs/dbraw/zinc/26/62/11/398266211.db2.gz ILUQDUGAOKHWPW-UHFFFAOYSA-N 0 3 243.354 3.112 20 30 BGEDHN C=CCOc1ccccc1CNCCC(=C)C ZINC000386840233 368027371 /nfs/dbraw/zinc/02/73/71/368027371.db2.gz XNKZRLYGMNYFFV-UHFFFAOYSA-N 0 3 231.339 3.307 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CC23CCCC3)c(F)c1 ZINC000387293108 368142605 /nfs/dbraw/zinc/14/26/05/368142605.db2.gz ODSYYFXSIZQABX-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC23CCCC3)c(F)c1 ZINC000387293111 363597610 /nfs/dbraw/zinc/59/76/10/363597610.db2.gz ODSYYFXSIZQABX-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN C=C(C)CCNCc1nc(C(C)(C)C)cs1 ZINC000387322324 711042546 /nfs/dbraw/zinc/04/25/46/711042546.db2.gz CMMOUICCQTXHKE-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C=C(C)CCNCc1cccc(F)c1F ZINC000387348194 368157281 /nfs/dbraw/zinc/15/72/81/368157281.db2.gz FZRHFWLYTAESIE-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN C=C(C)CCNCc1cn2cc(Cl)ccc2n1 ZINC000387466910 368217821 /nfs/dbraw/zinc/21/78/21/368217821.db2.gz SOEUXRJNMWDXQT-UHFFFAOYSA-N 0 3 249.745 3.044 20 30 BGEDHN C=C(C)CCNCc1c(F)cccc1F ZINC000387494481 342979907 /nfs/dbraw/zinc/97/99/07/342979907.db2.gz WWOHDSUZFUMCFD-UHFFFAOYSA-N 0 3 211.255 3.021 20 30 BGEDHN CC[C@H](CC#N)N[C@H](CC)C1CCCC1 ZINC000387495375 397964865 /nfs/dbraw/zinc/96/48/65/397964865.db2.gz BHAOZDWXNPBOEO-CHWSQXEVSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](CC)C1CCCC1 ZINC000387495406 342985890 /nfs/dbraw/zinc/98/58/90/342985890.db2.gz BHAOZDWXNPBOEO-OLZOCXBDSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](N[C@@H](CC)CC#N)C1CCCC1 ZINC000387495408 342985698 /nfs/dbraw/zinc/98/56/98/342985698.db2.gz BHAOZDWXNPBOEO-QWHCGFSZSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](CC)C1CCCC1 ZINC000387495412 342985711 /nfs/dbraw/zinc/98/57/11/342985711.db2.gz BHAOZDWXNPBOEO-STQMWFEESA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@@H](NCC(C)(C)C#N)C1CCCC1 ZINC000387598740 346911120 /nfs/dbraw/zinc/91/11/20/346911120.db2.gz VJFKYDLONKSEHS-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](NCC(C)(C)C#N)C1CCCC1 ZINC000387598757 346911204 /nfs/dbraw/zinc/91/12/04/346911204.db2.gz VJFKYDLONKSEHS-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN C=CCCCNCc1cscc1Cl ZINC000388331521 583960171 /nfs/dbraw/zinc/96/01/71/583960171.db2.gz FJUTYPLGSYRSQB-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN C=C(Cl)CN1CCC(CC)(CC)C1 ZINC000388337881 711058744 /nfs/dbraw/zinc/05/87/44/711058744.db2.gz IFVWMQLRYGALTF-UHFFFAOYSA-N 0 3 201.741 3.251 20 30 BGEDHN C=CCCNCc1ccsc1Br ZINC000388400597 342867172 /nfs/dbraw/zinc/86/71/72/342867172.db2.gz NMKDTSQYGGZBSB-UHFFFAOYSA-N 0 3 246.173 3.176 20 30 BGEDHN C=CCN(C[C@H]1CC1(Cl)Cl)C(C)C ZINC000388751766 711066767 /nfs/dbraw/zinc/06/67/67/711066767.db2.gz BWHWWDVFVXEHGU-SECBINFHSA-N 0 3 222.159 3.077 20 30 BGEDHN C=CCN(C[C@@H]1CC1(Cl)Cl)C(C)C ZINC000388751767 711066340 /nfs/dbraw/zinc/06/63/40/711066340.db2.gz BWHWWDVFVXEHGU-VIFPVBQESA-N 0 3 222.159 3.077 20 30 BGEDHN CCC1(NCc2ccc(C#N)o2)CCCCC1 ZINC000389421562 356657123 /nfs/dbraw/zinc/65/71/23/356657123.db2.gz BDLZLMOGHGRDEV-UHFFFAOYSA-N 0 3 232.327 3.354 20 30 BGEDHN CCC1(NCc2nc(C#N)cs2)CCCCC1 ZINC000389473268 352129009 /nfs/dbraw/zinc/12/90/09/352129009.db2.gz MWDHLTUYGUSOMV-UHFFFAOYSA-N 0 3 249.383 3.217 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C(F)(F)F)s1 ZINC000389613754 357003058 /nfs/dbraw/zinc/00/30/58/357003058.db2.gz FNRIHJHZEIWENJ-SSDOTTSWSA-N 0 3 235.274 3.431 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C(F)(F)F)s1 ZINC000389613755 357003134 /nfs/dbraw/zinc/00/31/34/357003134.db2.gz FNRIHJHZEIWENJ-ZETCQYMHSA-N 0 3 235.274 3.431 20 30 BGEDHN N#Cc1csc(CNCC2CCCCCC2)n1 ZINC000389761441 359637177 /nfs/dbraw/zinc/63/71/77/359637177.db2.gz PMIRFMYHKUIZJJ-UHFFFAOYSA-N 0 3 249.383 3.075 20 30 BGEDHN N#Cc1ccc(CNCC2CCCCCC2)o1 ZINC000389801849 360445692 /nfs/dbraw/zinc/44/56/92/360445692.db2.gz ZBTPOAUPUPOLOC-UHFFFAOYSA-N 0 3 232.327 3.211 20 30 BGEDHN CCC(CC)(CC)CNCC1(C#N)CC1 ZINC000389860585 357056126 /nfs/dbraw/zinc/05/61/26/357056126.db2.gz DDUZBRGYNDBUDD-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000389882252 357059412 /nfs/dbraw/zinc/05/94/12/357059412.db2.gz PALBUWGHJVKCAH-OUAUKWLOSA-N 0 3 220.341 3.091 20 30 BGEDHN C[C@H](C#N)CNCCCC1CCCCC1 ZINC000389895160 357061908 /nfs/dbraw/zinc/06/19/08/357061908.db2.gz YJIHFPQQMKGBLV-GFCCVEGCSA-N 0 3 208.349 3.096 20 30 BGEDHN C[C@@H](C#N)CNCCCC1CCCCC1 ZINC000389895161 357062317 /nfs/dbraw/zinc/06/23/17/357062317.db2.gz YJIHFPQQMKGBLV-LBPRGKRZSA-N 0 3 208.349 3.096 20 30 BGEDHN C=CCCNC(C)(C)c1ccccc1F ZINC000389961564 357074431 /nfs/dbraw/zinc/07/44/31/357074431.db2.gz WAFHJHXNWQOWJX-UHFFFAOYSA-N 0 3 207.292 3.227 20 30 BGEDHN C[C@H](CCC(C)(C)C)NCC1(C#N)CC1 ZINC000389976909 357076519 /nfs/dbraw/zinc/07/65/19/357076519.db2.gz GDTQXXPKYRIYFL-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CCC(C)(C)C)NCC1(C#N)CC1 ZINC000389976910 357076901 /nfs/dbraw/zinc/07/69/01/357076901.db2.gz GDTQXXPKYRIYFL-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CC#N)NCCCC1CCCCC1 ZINC000389981722 711102418 /nfs/dbraw/zinc/10/24/18/711102418.db2.gz JHDAHPFYMBKZMP-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN C[C@@H](CC#N)NCCCC1CCCCC1 ZINC000389981723 711101714 /nfs/dbraw/zinc/10/17/14/711101714.db2.gz JHDAHPFYMBKZMP-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN CC(C)C[C@H](C)C[C@H](C)NC[C@@H](C)C#N ZINC000390003074 357083779 /nfs/dbraw/zinc/08/37/79/357083779.db2.gz UZGHIJBCBXBFRV-AVGNSLFASA-N 0 3 210.365 3.196 20 30 BGEDHN CC(C)C[C@H](C)C[C@@H](C)NC[C@@H](C)C#N ZINC000390003076 357083876 /nfs/dbraw/zinc/08/38/76/357083876.db2.gz UZGHIJBCBXBFRV-RWMBFGLXSA-N 0 3 210.365 3.196 20 30 BGEDHN CC(C)C[C@H](C)C[C@H](C)NC[C@H](C)C#N ZINC000390003078 357083908 /nfs/dbraw/zinc/08/39/08/357083908.db2.gz UZGHIJBCBXBFRV-XQQFMLRXSA-N 0 3 210.365 3.196 20 30 BGEDHN CC(C)C[C@H](C)C[C@@H](C)NC[C@H](C)C#N ZINC000390003079 357083860 /nfs/dbraw/zinc/08/38/60/357083860.db2.gz UZGHIJBCBXBFRV-YNEHKIRRSA-N 0 3 210.365 3.196 20 30 BGEDHN C=CCCCCCCCNCc1ncc[nH]1 ZINC000390117160 711106377 /nfs/dbraw/zinc/10/63/77/711106377.db2.gz CUTSVCVOJKXBMW-UHFFFAOYSA-N 0 3 221.348 3.026 20 30 BGEDHN C=CCCCCNCc1nc2c(s1)CCC2 ZINC000390175628 539020319 /nfs/dbraw/zinc/02/03/19/539020319.db2.gz IFMPNIWFCXAAIQ-UHFFFAOYSA-N 0 3 236.384 3.078 20 30 BGEDHN C=CCCCNCc1nc2c(s1)CCCC2 ZINC000390188479 539020462 /nfs/dbraw/zinc/02/04/62/539020462.db2.gz MKQZHHJUNCEFIO-UHFFFAOYSA-N 0 3 236.384 3.078 20 30 BGEDHN CC#CCN[C@H](c1ccc(F)cc1)C(C)C ZINC000390194939 259353060 /nfs/dbraw/zinc/35/30/60/259353060.db2.gz OYCLEOCPSHNKMU-AWEZNQCLSA-N 0 3 219.303 3.136 20 30 BGEDHN CC#CCN[C@@H](c1ccc(F)cc1)C(C)C ZINC000390194943 259381995 /nfs/dbraw/zinc/38/19/95/259381995.db2.gz OYCLEOCPSHNKMU-CQSZACIVSA-N 0 3 219.303 3.136 20 30 BGEDHN C=CCCCNCc1ncc(C(C)(C)C)s1 ZINC000390269534 259383965 /nfs/dbraw/zinc/38/39/65/259383965.db2.gz RFCUSCFMIFOORR-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C#C[C@@H](N[C@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275972 711112062 /nfs/dbraw/zinc/11/20/62/711112062.db2.gz TVHVDLWCJIHXIM-BXUZGUMPSA-N 0 3 219.303 3.134 20 30 BGEDHN C#C[C@H](N[C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275973 712392430 /nfs/dbraw/zinc/39/24/30/712392430.db2.gz TVHVDLWCJIHXIM-FZMZJTMJSA-N 0 3 219.303 3.134 20 30 BGEDHN C#C[C@H](N[C@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275974 712392369 /nfs/dbraw/zinc/39/23/69/712392369.db2.gz TVHVDLWCJIHXIM-RISCZKNCSA-N 0 3 219.303 3.134 20 30 BGEDHN C#C[C@@H](N[C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275975 712392556 /nfs/dbraw/zinc/39/25/56/712392556.db2.gz TVHVDLWCJIHXIM-SMDDNHRTSA-N 0 3 219.303 3.134 20 30 BGEDHN C=CCCCCNCc1cnc(C2CC2)s1 ZINC000390357733 357090486 /nfs/dbraw/zinc/09/04/86/357090486.db2.gz QSWOTZDAGLQPEG-UHFFFAOYSA-N 0 3 236.384 3.466 20 30 BGEDHN CC#CCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000390359667 259386936 /nfs/dbraw/zinc/38/69/36/259386936.db2.gz RKMRIZYTSCEHSO-BXUZGUMPSA-N 0 3 233.742 3.188 20 30 BGEDHN CC#CCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000390359669 259386820 /nfs/dbraw/zinc/38/68/20/259386820.db2.gz RKMRIZYTSCEHSO-FZMZJTMJSA-N 0 3 233.742 3.188 20 30 BGEDHN CC#CCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000390359670 259386840 /nfs/dbraw/zinc/38/68/40/259386840.db2.gz RKMRIZYTSCEHSO-RISCZKNCSA-N 0 3 233.742 3.188 20 30 BGEDHN CC#CCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000390359672 259386929 /nfs/dbraw/zinc/38/69/29/259386929.db2.gz RKMRIZYTSCEHSO-SMDDNHRTSA-N 0 3 233.742 3.188 20 30 BGEDHN C=CCN[C@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000390484177 259390660 /nfs/dbraw/zinc/39/06/60/259390660.db2.gz OASSOCKDBWPZSX-DZGCQCFKSA-N 0 3 215.340 3.396 20 30 BGEDHN C=CCN[C@@]1(c2cccc(C)c2)C[C@H]1CC ZINC000390484178 259390687 /nfs/dbraw/zinc/39/06/87/259390687.db2.gz OASSOCKDBWPZSX-HIFRSBDPSA-N 0 3 215.340 3.396 20 30 BGEDHN C=CCN[C@]1(c2cccc(C)c2)C[C@H]1CC ZINC000390484179 259390635 /nfs/dbraw/zinc/39/06/35/259390635.db2.gz OASSOCKDBWPZSX-UKRRQHHQSA-N 0 3 215.340 3.396 20 30 BGEDHN C=CCN[C@@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000390484180 259390592 /nfs/dbraw/zinc/39/05/92/259390592.db2.gz OASSOCKDBWPZSX-ZFWWWQNUSA-N 0 3 215.340 3.396 20 30 BGEDHN C#C[C@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491837 711121818 /nfs/dbraw/zinc/12/18/18/711121818.db2.gz QQQLDVKKRJEWLC-HZMBPMFUSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491839 711121178 /nfs/dbraw/zinc/12/11/78/711121178.db2.gz QQQLDVKKRJEWLC-IINYFYTJSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@@H](N[C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491840 711121914 /nfs/dbraw/zinc/12/19/14/711121914.db2.gz QQQLDVKKRJEWLC-QMTHXVAHSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@H](N[C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491844 711121393 /nfs/dbraw/zinc/12/13/93/711121393.db2.gz QQQLDVKKRJEWLC-YGRLFVJLSA-N 0 3 233.742 3.402 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)C1CCCCCC1 ZINC000390523224 259392212 /nfs/dbraw/zinc/39/22/12/259392212.db2.gz GATLNZCNMSMWFA-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)C1CCCCCC1 ZINC000390523225 259392488 /nfs/dbraw/zinc/39/24/88/259392488.db2.gz GATLNZCNMSMWFA-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)C[C@@H](C)C[C@@H](C)NCC1(C#N)CC1 ZINC000390525918 357100904 /nfs/dbraw/zinc/10/09/04/357100904.db2.gz GTOMDXYJCXXPJF-CHWSQXEVSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)C[C@@H](C)C[C@H](C)NCC1(C#N)CC1 ZINC000390525919 357100769 /nfs/dbraw/zinc/10/07/69/357100769.db2.gz GTOMDXYJCXXPJF-OLZOCXBDSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)C[C@H](C)C[C@@H](C)NCC1(C#N)CC1 ZINC000390525920 357100756 /nfs/dbraw/zinc/10/07/56/357100756.db2.gz GTOMDXYJCXXPJF-QWHCGFSZSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)C[C@H](C)C[C@H](C)NCC1(C#N)CC1 ZINC000390525921 357100889 /nfs/dbraw/zinc/10/08/89/357100889.db2.gz GTOMDXYJCXXPJF-STQMWFEESA-N 0 3 222.376 3.341 20 30 BGEDHN CC#CCCNCc1c(Cl)cccc1CC ZINC000390550674 259393383 /nfs/dbraw/zinc/39/33/83/259393383.db2.gz OPLPOCNHQWKDMM-UHFFFAOYSA-N 0 3 235.758 3.405 20 30 BGEDHN CCCCCCCNCc1ncc(Cl)n1C ZINC000390583868 711774363 /nfs/dbraw/zinc/77/43/63/711774363.db2.gz XOLAIDGGNRITGJ-UHFFFAOYSA-N 0 3 243.782 3.134 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000390609079 711128217 /nfs/dbraw/zinc/12/82/17/711128217.db2.gz DLSFIDMTDGNAMV-BPNCWPANSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000390609080 711128529 /nfs/dbraw/zinc/12/85/29/711128529.db2.gz DLSFIDMTDGNAMV-DDTOSNHZSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000390609082 711128316 /nfs/dbraw/zinc/12/83/16/711128316.db2.gz DLSFIDMTDGNAMV-LEWSCRJBSA-N 0 3 233.742 3.402 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000390609083 711128472 /nfs/dbraw/zinc/12/84/72/711128472.db2.gz DLSFIDMTDGNAMV-SWHYSGLUSA-N 0 3 233.742 3.402 20 30 BGEDHN CC[C@@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000390613578 371219755 /nfs/dbraw/zinc/21/97/55/371219755.db2.gz FXXPOLUUDILUKD-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000390613579 371219553 /nfs/dbraw/zinc/21/95/53/371219553.db2.gz FXXPOLUUDILUKD-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN C#C[C@@H](NC[C@H](C)CC)c1ccc(F)cc1 ZINC000390775580 711133819 /nfs/dbraw/zinc/13/38/19/711133819.db2.gz FGLPJOGGZNCSQC-BXUZGUMPSA-N 0 3 219.303 3.136 20 30 BGEDHN C#C[C@H](NC[C@@H](C)CC)c1ccc(F)cc1 ZINC000390775581 711133732 /nfs/dbraw/zinc/13/37/32/711133732.db2.gz FGLPJOGGZNCSQC-FZMZJTMJSA-N 0 3 219.303 3.136 20 30 BGEDHN C#C[C@H](NC[C@H](C)CC)c1ccc(F)cc1 ZINC000390775582 711133214 /nfs/dbraw/zinc/13/32/14/711133214.db2.gz FGLPJOGGZNCSQC-RISCZKNCSA-N 0 3 219.303 3.136 20 30 BGEDHN C#C[C@@H](NC[C@@H](C)CC)c1ccc(F)cc1 ZINC000390775583 711133333 /nfs/dbraw/zinc/13/33/33/711133333.db2.gz FGLPJOGGZNCSQC-SMDDNHRTSA-N 0 3 219.303 3.136 20 30 BGEDHN N#CCCCN[C@@H]1CCc2c1cccc2Cl ZINC000390821959 357117226 /nfs/dbraw/zinc/11/72/26/357117226.db2.gz ZYVGLQYZUDPBCF-CYBMUJFWSA-N 0 3 234.730 3.221 20 30 BGEDHN N#CCCCN[C@H]1CCc2c1cccc2Cl ZINC000390821960 357117469 /nfs/dbraw/zinc/11/74/69/357117469.db2.gz ZYVGLQYZUDPBCF-ZDUSSCGKSA-N 0 3 234.730 3.221 20 30 BGEDHN FC1(F)CCC[C@H]1CNCC#Cc1ccccc1 ZINC000390962780 711135862 /nfs/dbraw/zinc/13/58/62/711135862.db2.gz NJYGGUJGSRWQJO-AWEZNQCLSA-N 0 3 249.304 3.063 20 30 BGEDHN FC1(F)CCC[C@@H]1CNCC#Cc1ccccc1 ZINC000390962785 711135884 /nfs/dbraw/zinc/13/58/84/711135884.db2.gz NJYGGUJGSRWQJO-CQSZACIVSA-N 0 3 249.304 3.063 20 30 BGEDHN C=CCCCCCCN[C@@H]1CCn2ccnc21 ZINC000393322059 711158044 /nfs/dbraw/zinc/15/80/44/711158044.db2.gz HUQISZSIOOJIGA-CYBMUJFWSA-N 0 3 233.359 3.054 20 30 BGEDHN C=CCCCCCCN[C@H]1CCn2ccnc21 ZINC000393322061 711157135 /nfs/dbraw/zinc/15/71/35/711157135.db2.gz HUQISZSIOOJIGA-ZDUSSCGKSA-N 0 3 233.359 3.054 20 30 BGEDHN CC[C@@H](C)C[C@H](CC)NCC1(C#N)CC1 ZINC000393607439 357289467 /nfs/dbraw/zinc/28/94/67/357289467.db2.gz PACGZTASPHPNQE-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](C[C@@H](C)CC)NCC1(C#N)CC1 ZINC000393607442 357289637 /nfs/dbraw/zinc/28/96/37/357289637.db2.gz PACGZTASPHPNQE-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](C)C[C@H](CC)NCC1(C#N)CC1 ZINC000393607445 357289007 /nfs/dbraw/zinc/28/90/07/357289007.db2.gz PACGZTASPHPNQE-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H](C)C[C@@H](CC)NCC1(C#N)CC1 ZINC000393607446 357289361 /nfs/dbraw/zinc/28/93/61/357289361.db2.gz PACGZTASPHPNQE-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN C#C[C@@H](NCc1ccc(SC)s1)C(C)C ZINC000393611979 711165705 /nfs/dbraw/zinc/16/57/05/711165705.db2.gz DLXIIQCGRSIBQR-LLVKDONJSA-N 0 3 239.409 3.217 20 30 BGEDHN C#C[C@H](NCc1ccc(SC)s1)C(C)C ZINC000393611981 710635634 /nfs/dbraw/zinc/63/56/34/710635634.db2.gz DLXIIQCGRSIBQR-NSHDSACASA-N 0 3 239.409 3.217 20 30 BGEDHN C=CCCCCC[C@@H](C)NC[C@H](C)C#N ZINC000393618712 711167222 /nfs/dbraw/zinc/16/72/22/711167222.db2.gz IVUPCPCZSRIYPF-CHWSQXEVSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCCCCC[C@H](C)NC[C@H](C)C#N ZINC000393618713 711166265 /nfs/dbraw/zinc/16/62/65/711166265.db2.gz IVUPCPCZSRIYPF-OLZOCXBDSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCCCCC[C@@H](C)NC[C@@H](C)C#N ZINC000393618714 711166428 /nfs/dbraw/zinc/16/64/28/711166428.db2.gz IVUPCPCZSRIYPF-QWHCGFSZSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCCCCC[C@H](C)NC[C@@H](C)C#N ZINC000393618715 711166993 /nfs/dbraw/zinc/16/69/93/711166993.db2.gz IVUPCPCZSRIYPF-STQMWFEESA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCC[C@@H](NCCSC)c1ccco1 ZINC000393626114 343902916 /nfs/dbraw/zinc/90/29/16/343902916.db2.gz XSQHJNYNDVJZHS-LLVKDONJSA-N 0 3 225.357 3.240 20 30 BGEDHN C=CCC[C@H](NCCSC)c1ccco1 ZINC000393626116 343902869 /nfs/dbraw/zinc/90/28/69/343902869.db2.gz XSQHJNYNDVJZHS-NSHDSACASA-N 0 3 225.357 3.240 20 30 BGEDHN C=C(Cl)CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393688416 711675952 /nfs/dbraw/zinc/67/59/52/711675952.db2.gz JKYFMOKHICADFE-NXEZZACHSA-N 0 3 233.808 3.249 20 30 BGEDHN C=C(Cl)CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000393688418 711169686 /nfs/dbraw/zinc/16/96/86/711169686.db2.gz JKYFMOKHICADFE-UWVGGRQHSA-N 0 3 233.808 3.249 20 30 BGEDHN C=C(Cl)CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393688419 711169430 /nfs/dbraw/zinc/16/94/30/711169430.db2.gz JKYFMOKHICADFE-VHSXEESVSA-N 0 3 233.808 3.249 20 30 BGEDHN C=C(Cl)CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000393688421 711169440 /nfs/dbraw/zinc/16/94/40/711169440.db2.gz JKYFMOKHICADFE-ZJUUUORDSA-N 0 3 233.808 3.249 20 30 BGEDHN C=CCOCCN[C@H](CCC)c1ccsc1 ZINC000393741046 584939256 /nfs/dbraw/zinc/93/92/56/584939256.db2.gz BHBRLODTYYVIHX-CYBMUJFWSA-N 0 3 239.384 3.382 20 30 BGEDHN C=CCOCCN[C@@H](CCC)c1ccsc1 ZINC000393741051 582921471 /nfs/dbraw/zinc/92/14/71/582921471.db2.gz BHBRLODTYYVIHX-ZDUSSCGKSA-N 0 3 239.384 3.382 20 30 BGEDHN C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000393751902 711172308 /nfs/dbraw/zinc/17/23/08/711172308.db2.gz DHRFGWMBMWXDLK-AAEUAGOBSA-N 0 3 219.328 3.316 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000393751906 711172499 /nfs/dbraw/zinc/17/24/99/711172499.db2.gz DHRFGWMBMWXDLK-DGCLKSJQSA-N 0 3 219.328 3.316 20 30 BGEDHN C=C[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000393751908 711172670 /nfs/dbraw/zinc/17/26/70/711172670.db2.gz DHRFGWMBMWXDLK-WCQYABFASA-N 0 3 219.328 3.316 20 30 BGEDHN C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000393751910 711172517 /nfs/dbraw/zinc/17/25/17/711172517.db2.gz DHRFGWMBMWXDLK-YPMHNXCESA-N 0 3 219.328 3.316 20 30 BGEDHN CC#CCNC(C)(C)c1cccc(Cl)c1 ZINC000393758380 387143619 /nfs/dbraw/zinc/14/36/19/387143619.db2.gz IKXAQXBKCGJDPF-UHFFFAOYSA-N 0 3 221.731 3.188 20 30 BGEDHN C=CC[C@@H](CC)NCc1cnc2ccccc2n1 ZINC000393774407 353258333 /nfs/dbraw/zinc/25/83/33/353258333.db2.gz DMNMKRSMSNRRGJ-GFCCVEGCSA-N 0 3 241.338 3.074 20 30 BGEDHN C=CC[C@H](CC)NCc1cnc2ccccc2n1 ZINC000393774412 353259961 /nfs/dbraw/zinc/25/99/61/353259961.db2.gz DMNMKRSMSNRRGJ-LBPRGKRZSA-N 0 3 241.338 3.074 20 30 BGEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000393775723 711173330 /nfs/dbraw/zinc/17/33/30/711173330.db2.gz KLEAMEASPINUBG-NEPJUHHUSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000393775724 711173885 /nfs/dbraw/zinc/17/38/85/711173885.db2.gz KLEAMEASPINUBG-NWDGAFQWSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000393775725 711173720 /nfs/dbraw/zinc/17/37/20/711173720.db2.gz KLEAMEASPINUBG-RYUDHWBXSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000393775726 711173773 /nfs/dbraw/zinc/17/37/73/711173773.db2.gz KLEAMEASPINUBG-VXGBXAGGSA-N 0 3 219.328 3.398 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1cc[nH]n1 ZINC000393778934 711677950 /nfs/dbraw/zinc/67/79/50/711677950.db2.gz MVNNAWUJXGIKMW-GFCCVEGCSA-N 0 3 221.348 3.024 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1cc[nH]n1 ZINC000393778936 711173956 /nfs/dbraw/zinc/17/39/56/711173956.db2.gz MVNNAWUJXGIKMW-LBPRGKRZSA-N 0 3 221.348 3.024 20 30 BGEDHN CC1(C)CCC[C@H]1NCC1(C#N)CCCC1 ZINC000393789502 343928903 /nfs/dbraw/zinc/92/89/03/343928903.db2.gz XUVVHBXUJMEEEP-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CCC[C@@H]1NCC1(C#N)CCCC1 ZINC000393789506 343929123 /nfs/dbraw/zinc/92/91/23/343929123.db2.gz XUVVHBXUJMEEEP-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC(C)(C#N)CNCCC1CCCCCC1 ZINC000393804798 388442923 /nfs/dbraw/zinc/44/29/23/388442923.db2.gz OLJJZKFFLGHPQL-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN C=CC[C@@H](CC)Nc1ccnc2ccccc21 ZINC000393830052 357302027 /nfs/dbraw/zinc/30/20/27/357302027.db2.gz VAZYCAOIGMAIDL-GFCCVEGCSA-N 0 3 226.323 3.423 20 30 BGEDHN C=CC[C@H](CC)Nc1ccnc2ccccc21 ZINC000393830053 357301964 /nfs/dbraw/zinc/30/19/64/357301964.db2.gz VAZYCAOIGMAIDL-LBPRGKRZSA-N 0 3 226.323 3.423 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccncc1Cl ZINC000393832218 357302200 /nfs/dbraw/zinc/30/22/00/357302200.db2.gz LLCUTGRYTWKHOF-LLVKDONJSA-N 0 3 224.735 3.179 20 30 BGEDHN C=CC[C@H](CC)NCc1ccncc1Cl ZINC000393832664 357302181 /nfs/dbraw/zinc/30/21/81/357302181.db2.gz LLCUTGRYTWKHOF-NSHDSACASA-N 0 3 224.735 3.179 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccc(OC)cc1F ZINC000393834399 357302259 /nfs/dbraw/zinc/30/22/59/357302259.db2.gz MITFUKQAIBIEMC-GFCCVEGCSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@H](CC)NCc1ccc(OC)cc1F ZINC000393834403 357302291 /nfs/dbraw/zinc/30/22/91/357302291.db2.gz MITFUKQAIBIEMC-LBPRGKRZSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@@H](CC)NCc1cccc(OC)c1F ZINC000393843477 487585734 /nfs/dbraw/zinc/58/57/34/487585734.db2.gz WLRLCMOEOBSAMM-GFCCVEGCSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@H](CC)NCc1cccc(OC)c1F ZINC000393843481 487585720 /nfs/dbraw/zinc/58/57/20/487585720.db2.gz WLRLCMOEOBSAMM-LBPRGKRZSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC[C@@H](CC)NCc1nn(C)c2ccccc12 ZINC000393846494 582929569 /nfs/dbraw/zinc/92/95/69/582929569.db2.gz FNLYSEWXXLWWCA-GFCCVEGCSA-N 0 3 243.354 3.018 20 30 BGEDHN C=CC[C@H](CC)NCc1nn(C)c2ccccc12 ZINC000393846495 582929478 /nfs/dbraw/zinc/92/94/78/582929478.db2.gz FNLYSEWXXLWWCA-LBPRGKRZSA-N 0 3 243.354 3.018 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@@H]1CC2CCC1CC2 ZINC000394229085 344088158 /nfs/dbraw/zinc/08/81/58/344088158.db2.gz LHZXKSZNEURKKI-ABXWRUBCSA-N 0 3 234.387 3.341 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@H]1CC2CCC1CC2 ZINC000394229089 344088006 /nfs/dbraw/zinc/08/80/06/344088006.db2.gz LHZXKSZNEURKKI-BLYZHGLHSA-N 0 3 234.387 3.341 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@H]1CC2CCC1CC2 ZINC000394229091 344088256 /nfs/dbraw/zinc/08/82/56/344088256.db2.gz LHZXKSZNEURKKI-GFJIZPEISA-N 0 3 234.387 3.341 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@@H]1CC2CCC1CC2 ZINC000394229094 344088277 /nfs/dbraw/zinc/08/82/77/344088277.db2.gz LHZXKSZNEURKKI-RYSNWHEDSA-N 0 3 234.387 3.341 20 30 BGEDHN C=C(C)COCCN[C@H](CC)c1ccsc1 ZINC000394352818 259351973 /nfs/dbraw/zinc/35/19/73/259351973.db2.gz PAAUEVNFQWCAIL-CYBMUJFWSA-N 0 3 239.384 3.382 20 30 BGEDHN C=C(C)COCCN[C@@H](CC)c1ccsc1 ZINC000394352819 259351913 /nfs/dbraw/zinc/35/19/13/259351913.db2.gz PAAUEVNFQWCAIL-ZDUSSCGKSA-N 0 3 239.384 3.382 20 30 BGEDHN C=CCC(C)(C)CNCc1ncc(C)s1 ZINC000394723749 385909604 /nfs/dbraw/zinc/90/96/04/385909604.db2.gz HMGYOEXXFAGQFH-UHFFFAOYSA-N 0 3 224.373 3.143 20 30 BGEDHN C=CC(C)(C)CNCc1ncc(CC)s1 ZINC000394932983 323182904 /nfs/dbraw/zinc/18/29/04/323182904.db2.gz OROXQGTXRAUONX-UHFFFAOYSA-N 0 3 224.373 3.007 20 30 BGEDHN C=CCCCNCc1cccc(C)c1F ZINC000394959939 386759292 /nfs/dbraw/zinc/75/92/92/386759292.db2.gz DGOBFCOCGRRRIH-UHFFFAOYSA-N 0 3 207.292 3.190 20 30 BGEDHN CC#CCCNCc1cc(C)cc(Cl)c1 ZINC000395142296 386945019 /nfs/dbraw/zinc/94/50/19/386945019.db2.gz CXNURFDLQHNVKZ-UHFFFAOYSA-N 0 3 221.731 3.151 20 30 BGEDHN C#C[C@H](CC)NCc1cc(C)cc(Cl)c1 ZINC000395152489 711203430 /nfs/dbraw/zinc/20/34/30/711203430.db2.gz JBZFSTKDCLNGGP-CYBMUJFWSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@@H](CC)NCc1cc(C)cc(Cl)c1 ZINC000395152492 711203319 /nfs/dbraw/zinc/20/33/19/711203319.db2.gz JBZFSTKDCLNGGP-ZDUSSCGKSA-N 0 3 221.731 3.150 20 30 BGEDHN C#C[C@@](C)(CC)NCc1cnc2ccccc2c1 ZINC000395197388 711205643 /nfs/dbraw/zinc/20/56/43/711205643.db2.gz DLZRGBMIEBTYRK-INIZCTEOSA-N 0 3 238.334 3.126 20 30 BGEDHN C#C[C@](C)(CC)NCc1cnc2ccccc2c1 ZINC000395197390 711205553 /nfs/dbraw/zinc/20/55/53/711205553.db2.gz DLZRGBMIEBTYRK-MRXNPFEDSA-N 0 3 238.334 3.126 20 30 BGEDHN C=C(C)CCNCc1cc(F)c(F)cc1F ZINC000395312612 386810804 /nfs/dbraw/zinc/81/08/04/386810804.db2.gz HLEQVJGHTCXKLV-UHFFFAOYSA-N 0 3 229.245 3.160 20 30 BGEDHN C=CC(C)(C)CNCc1cc(F)c(F)c(F)c1 ZINC000395372914 386823281 /nfs/dbraw/zinc/82/32/81/386823281.db2.gz GTRCUSZOFUJLSV-UHFFFAOYSA-N 0 3 243.272 3.406 20 30 BGEDHN C=CC(C)(C)CNCc1cnc(C(C)(C)C)nc1 ZINC000395376714 323224239 /nfs/dbraw/zinc/22/42/39/323224239.db2.gz ILMGBJDVBBWCIO-UHFFFAOYSA-N 0 3 247.386 3.076 20 30 BGEDHN C=CC(C)(C)CNCc1ccc(OC)cc1F ZINC000395389081 357436339 /nfs/dbraw/zinc/43/63/39/357436339.db2.gz OBVBQXNMLQGVPI-UHFFFAOYSA-N 0 3 237.318 3.136 20 30 BGEDHN C=C(C)CCN[C@H](C)c1nc(C)sc1C ZINC000395399601 410849526 /nfs/dbraw/zinc/84/95/26/410849526.db2.gz CUUWZUSQSLYIAU-SECBINFHSA-N 0 3 224.373 3.377 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1nc(C)sc1C ZINC000395399602 410849799 /nfs/dbraw/zinc/84/97/99/410849799.db2.gz CUUWZUSQSLYIAU-VIFPVBQESA-N 0 3 224.373 3.377 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1nccs1 ZINC000395407310 262787532 /nfs/dbraw/zinc/78/75/32/262787532.db2.gz WDUNRYCKQOUVEA-SECBINFHSA-N 0 3 210.346 3.006 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1nccs1 ZINC000395407312 386827385 /nfs/dbraw/zinc/82/73/85/386827385.db2.gz WDUNRYCKQOUVEA-VIFPVBQESA-N 0 3 210.346 3.006 20 30 BGEDHN C=C(C)CCNCc1sccc1Cl ZINC000395411412 262787602 /nfs/dbraw/zinc/78/76/02/262787602.db2.gz IGZWGHSHICVQKZ-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C1CC(C)(C)C1 ZINC000395452300 384296218 /nfs/dbraw/zinc/29/62/18/384296218.db2.gz AKJOHDIZVXERLS-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN CN(Cc1ccc(F)c(C#N)c1)C1CC(C)(C)C1 ZINC000395497870 384330504 /nfs/dbraw/zinc/33/05/04/384330504.db2.gz OZLASPJIXVUOFI-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN C=C(C)CCNCc1cccc(C)c1F ZINC000395723390 387353105 /nfs/dbraw/zinc/35/31/05/387353105.db2.gz KFEMOWFLNIIHRX-UHFFFAOYSA-N 0 3 207.292 3.190 20 30 BGEDHN CCc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000397165469 357505870 /nfs/dbraw/zinc/50/58/70/357505870.db2.gz BFFTZMRUTCZSEB-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN CCc1ccc(CN2CCC(CC#N)CC2)s1 ZINC000397172053 357508364 /nfs/dbraw/zinc/50/83/64/357508364.db2.gz FHPLLJMBYLKWME-UHFFFAOYSA-N 0 3 248.395 3.436 20 30 BGEDHN N#CCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000397197706 357507005 /nfs/dbraw/zinc/50/70/05/357507005.db2.gz TVDOGDLCULLOMX-DAXSKMNVSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000397197707 357507184 /nfs/dbraw/zinc/50/71/84/357507184.db2.gz TVDOGDLCULLOMX-QPJJXVBHSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000397561492 350916562 /nfs/dbraw/zinc/91/65/62/350916562.db2.gz ASGLDTSRZUCUGD-FAOGRTBUSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000397561493 350916382 /nfs/dbraw/zinc/91/63/82/350916382.db2.gz ASGLDTSRZUCUGD-KZJSRBBCSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000397561494 350916474 /nfs/dbraw/zinc/91/64/74/350916474.db2.gz ASGLDTSRZUCUGD-LWAXHKBTSA-N 0 3 240.350 3.325 20 30 BGEDHN N#CC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000397561495 350916557 /nfs/dbraw/zinc/91/65/57/350916557.db2.gz ASGLDTSRZUCUGD-YCOJEUHLSA-N 0 3 240.350 3.325 20 30 BGEDHN CCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000397566202 350916464 /nfs/dbraw/zinc/91/64/64/350916464.db2.gz CNQYSLFVEBHTLC-HNNXBMFYSA-N 0 3 242.366 3.375 20 30 BGEDHN CCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000397566203 350916593 /nfs/dbraw/zinc/91/65/93/350916593.db2.gz CNQYSLFVEBHTLC-OAHLLOKOSA-N 0 3 242.366 3.375 20 30 BGEDHN Cc1cccc(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000397573229 350920303 /nfs/dbraw/zinc/92/03/03/350920303.db2.gz FLTZJXYFAPCMKK-HNNXBMFYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1cccc(C)c1CN1CCC[C@H](CC#N)C1 ZINC000397573230 350920141 /nfs/dbraw/zinc/92/01/41/350920141.db2.gz FLTZJXYFAPCMKK-OAHLLOKOSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000397613348 350952223 /nfs/dbraw/zinc/95/22/23/350952223.db2.gz IZJXRXQHELBPFR-AWEZNQCLSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000397613352 350952309 /nfs/dbraw/zinc/95/23/09/350952309.db2.gz IZJXRXQHELBPFR-CQSZACIVSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000397634929 350955539 /nfs/dbraw/zinc/95/55/39/350955539.db2.gz PITTZTIWEXFIIJ-AWEZNQCLSA-N 0 3 228.339 3.121 20 30 BGEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)cs1 ZINC000397655021 350958429 /nfs/dbraw/zinc/95/84/29/350958429.db2.gz VBMWZCLWUDXAEU-GFCCVEGCSA-N 0 3 234.368 3.182 20 30 BGEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)cs1 ZINC000397655022 350958245 /nfs/dbraw/zinc/95/82/45/350958245.db2.gz VBMWZCLWUDXAEU-LBPRGKRZSA-N 0 3 234.368 3.182 20 30 BGEDHN CC(C)(C#N)CCCCN1CCC[C@@H](CC#N)C1 ZINC000397660243 352617165 /nfs/dbraw/zinc/61/71/65/352617165.db2.gz NRVRBHHFQMAPFM-AWEZNQCLSA-N 0 3 247.386 3.332 20 30 BGEDHN CC(C)(C#N)CCCCN1CCC[C@H](CC#N)C1 ZINC000397660244 541399988 /nfs/dbraw/zinc/39/99/88/541399988.db2.gz NRVRBHHFQMAPFM-CQSZACIVSA-N 0 3 247.386 3.332 20 30 BGEDHN CCc1ccc(CN2CCC[C@H](CC#N)C2)s1 ZINC000397726742 350965924 /nfs/dbraw/zinc/96/59/24/350965924.db2.gz VECOMUPPIBSJGJ-GFCCVEGCSA-N 0 3 248.395 3.436 20 30 BGEDHN CCc1ccc(CN2CCC[C@@H](CC#N)C2)s1 ZINC000397726744 350965953 /nfs/dbraw/zinc/96/59/53/350965953.db2.gz VECOMUPPIBSJGJ-LBPRGKRZSA-N 0 3 248.395 3.436 20 30 BGEDHN CC[C@H](CC#N)N[C@H](CC)[C@@H]1CC1(C)C ZINC000397812960 350977402 /nfs/dbraw/zinc/97/74/02/350977402.db2.gz OQZQJNXZEYJOGC-GRYCIOLGSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@H](CC)[C@H]1CC1(C)C ZINC000397812962 350977249 /nfs/dbraw/zinc/97/72/49/350977249.db2.gz OQZQJNXZEYJOGC-IJLUTSLNSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](CC)[C@H]1CC1(C)C ZINC000397812966 350977426 /nfs/dbraw/zinc/97/74/26/350977426.db2.gz OQZQJNXZEYJOGC-UTUOFQBUSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000397812969 350977312 /nfs/dbraw/zinc/97/73/12/350977312.db2.gz OQZQJNXZEYJOGC-WOPDTQHZSA-N 0 3 208.349 3.093 20 30 BGEDHN CCCCCCCNCc1cnc(C)o1 ZINC000397930589 711397126 /nfs/dbraw/zinc/39/71/26/711397126.db2.gz UJIAJGWSHJSYPI-UHFFFAOYSA-N 0 3 210.321 3.043 20 30 BGEDHN CC(C)(NCc1ccc(C#N)cc1F)C1CCC1 ZINC000398045301 398192946 /nfs/dbraw/zinc/19/29/46/398192946.db2.gz SOTNPQOLWFDSKV-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CCCCCCCCNCc1cnc(C)o1 ZINC000398049078 711400902 /nfs/dbraw/zinc/40/09/02/711400902.db2.gz DNOYNGWUHOXXAP-UHFFFAOYSA-N 0 3 224.348 3.433 20 30 BGEDHN C=CCCC[C@H](C)NCc1ncc(C)s1 ZINC000398159119 384821349 /nfs/dbraw/zinc/82/13/49/384821349.db2.gz HQDLVRPROQJYOL-JTQLQIEISA-N 0 3 224.373 3.286 20 30 BGEDHN C=CCCC[C@@H](C)NCc1ncc(C)s1 ZINC000398159123 384823643 /nfs/dbraw/zinc/82/36/43/384823643.db2.gz HQDLVRPROQJYOL-SNVBAGLBSA-N 0 3 224.373 3.286 20 30 BGEDHN C=CCCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000398178317 384822652 /nfs/dbraw/zinc/82/26/52/384822652.db2.gz NFWPYZGMYWOXMZ-AVGNSLFASA-N 0 3 233.359 3.223 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000398178323 384821474 /nfs/dbraw/zinc/82/14/74/384821474.db2.gz NFWPYZGMYWOXMZ-RWMBFGLXSA-N 0 3 233.359 3.223 20 30 BGEDHN C=CCCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000398178329 384824402 /nfs/dbraw/zinc/82/44/02/384824402.db2.gz NFWPYZGMYWOXMZ-XQQFMLRXSA-N 0 3 233.359 3.223 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000398178331 384824588 /nfs/dbraw/zinc/82/45/88/384824588.db2.gz NFWPYZGMYWOXMZ-YNEHKIRRSA-N 0 3 233.359 3.223 20 30 BGEDHN CC1(C2(NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000398210506 265977920 /nfs/dbraw/zinc/97/79/20/265977920.db2.gz GQUABQUAEDSVAV-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN CC1(C2(NCc3ccc(C#N)s3)CC2)CC1 ZINC000398226423 385742210 /nfs/dbraw/zinc/74/22/10/385742210.db2.gz UPAGSVZKASPZJC-UHFFFAOYSA-N 0 3 232.352 3.042 20 30 BGEDHN CC1(C2(NCc3cc(C#N)cs3)CC2)CC1 ZINC000398231004 385743137 /nfs/dbraw/zinc/74/31/37/385743137.db2.gz 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246.329 3.318 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(F)c(C#N)c1 ZINC000399566374 262840864 /nfs/dbraw/zinc/84/08/64/262840864.db2.gz NDMQEUWWEKYJDD-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)[C@H]1C ZINC000399618422 387042088 /nfs/dbraw/zinc/04/20/88/387042088.db2.gz DWROYVUDQJANLQ-AGIUHOORSA-N 0 3 228.339 3.035 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccccc1C#N ZINC000399618426 387041195 /nfs/dbraw/zinc/04/11/95/387041195.db2.gz DWROYVUDQJANLQ-FRRDWIJNSA-N 0 3 228.339 3.035 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2ccccc2C#N)C[C@H]1C ZINC000399618429 387042221 /nfs/dbraw/zinc/04/22/21/387042221.db2.gz DWROYVUDQJANLQ-JHJVBQTASA-N 0 3 228.339 3.035 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2ccccc2C#N)[C@H]1C ZINC000399618432 387040113 /nfs/dbraw/zinc/04/01/13/387040113.db2.gz DWROYVUDQJANLQ-UPJWGTAASA-N 0 3 228.339 3.035 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cccc(C#N)c1F ZINC000399664566 387084773 /nfs/dbraw/zinc/08/47/73/387084773.db2.gz MHRJZMHMKZKXQK-GRYCIOLGSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000399664568 387084788 /nfs/dbraw/zinc/08/47/88/387084788.db2.gz MHRJZMHMKZKXQK-IJLUTSLNSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2cccc(C#N)c2F)[C@H]1C ZINC000399664571 387085205 /nfs/dbraw/zinc/08/52/05/387085205.db2.gz MHRJZMHMKZKXQK-UTUOFQBUSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H](C)[C@H]1C ZINC000399664573 387085309 /nfs/dbraw/zinc/08/53/09/387085309.db2.gz MHRJZMHMKZKXQK-WOPDTQHZSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cc(C#N)ccc1F ZINC000399680635 387101047 /nfs/dbraw/zinc/10/10/47/387101047.db2.gz RBFKJNRHLOTCAN-GRYCIOLGSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000399680636 387099509 /nfs/dbraw/zinc/09/95/09/387099509.db2.gz RBFKJNRHLOTCAN-IJLUTSLNSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2cc(C#N)ccc2F)[C@H]1C ZINC000399680637 262842975 /nfs/dbraw/zinc/84/29/75/262842975.db2.gz RBFKJNRHLOTCAN-UTUOFQBUSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H](C)[C@H]1C ZINC000399680638 387100591 /nfs/dbraw/zinc/10/05/91/387100591.db2.gz RBFKJNRHLOTCAN-WOPDTQHZSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(C#N)cc1F ZINC000399691700 387112180 /nfs/dbraw/zinc/11/21/80/387112180.db2.gz VFPKLMNIUFPUIK-GRYCIOLGSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000399691702 387111323 /nfs/dbraw/zinc/11/13/23/387111323.db2.gz VFPKLMNIUFPUIK-IJLUTSLNSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC000399691704 387111660 /nfs/dbraw/zinc/11/16/60/387111660.db2.gz VFPKLMNIUFPUIK-UTUOFQBUSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)[C@H]1C ZINC000399691707 387112138 /nfs/dbraw/zinc/11/21/38/387112138.db2.gz VFPKLMNIUFPUIK-WOPDTQHZSA-N 0 3 246.329 3.174 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1F ZINC000399725405 387139429 /nfs/dbraw/zinc/13/94/29/387139429.db2.gz DYTCRSQVOBOLPG-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1F ZINC000399725409 387138641 /nfs/dbraw/zinc/13/86/41/387138641.db2.gz DYTCRSQVOBOLPG-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1F ZINC000399725412 387138973 /nfs/dbraw/zinc/13/89/73/387138973.db2.gz DYTCRSQVOBOLPG-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1F ZINC000399725417 387138853 /nfs/dbraw/zinc/13/88/53/387138853.db2.gz DYTCRSQVOBOLPG-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(C#N)c1F ZINC000399741428 357033468 /nfs/dbraw/zinc/03/34/68/357033468.db2.gz JDIUHOOVWDNVSM-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1cccc(C#N)c1F ZINC000399741435 357033703 /nfs/dbraw/zinc/03/37/03/357033703.db2.gz JDIUHOOVWDNVSM-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1cccc(C#N)c1F ZINC000399741439 357033801 /nfs/dbraw/zinc/03/38/01/357033801.db2.gz JDIUHOOVWDNVSM-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1cccc(C#N)c1F ZINC000399741442 357033453 /nfs/dbraw/zinc/03/34/53/357033453.db2.gz JDIUHOOVWDNVSM-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN CN(CCC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000399786189 357047098 /nfs/dbraw/zinc/04/70/98/357047098.db2.gz PORHMJLRLAUNST-NEPJUHHUSA-N 0 3 208.349 3.047 20 30 BGEDHN CN(CCC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000399786192 357047075 /nfs/dbraw/zinc/04/70/75/357047075.db2.gz PORHMJLRLAUNST-NWDGAFQWSA-N 0 3 208.349 3.047 20 30 BGEDHN CN(CCC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000399786193 357047217 /nfs/dbraw/zinc/04/72/17/357047217.db2.gz PORHMJLRLAUNST-RYUDHWBXSA-N 0 3 208.349 3.047 20 30 BGEDHN CN(CCC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000399786195 357047294 /nfs/dbraw/zinc/04/72/94/357047294.db2.gz PORHMJLRLAUNST-VXGBXAGGSA-N 0 3 208.349 3.047 20 30 BGEDHN Cc1scc(CNCC2(CC#N)CC2)c1C ZINC000399813971 357063699 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ZINC000400014538 369340331 /nfs/dbraw/zinc/34/03/31/369340331.db2.gz HFGDOUNUZHBPDB-WXRRBKDZSA-N 0 3 244.338 3.067 20 30 BGEDHN C[C@@H](NCC1=CCCC1)c1ccc(C#N)cc1 ZINC000401053192 346084902 /nfs/dbraw/zinc/08/49/02/346084902.db2.gz QJANHGMGIAOACO-GFCCVEGCSA-N 0 3 226.323 3.319 20 30 BGEDHN C[C@H](NCC1=CCCC1)c1ccc(C#N)cc1 ZINC000401053198 346084877 /nfs/dbraw/zinc/08/48/77/346084877.db2.gz QJANHGMGIAOACO-LBPRGKRZSA-N 0 3 226.323 3.319 20 30 BGEDHN C=CCCCCCNCc1ccc(C)cn1 ZINC000401085544 346163495 /nfs/dbraw/zinc/16/34/95/346163495.db2.gz YLLLPZBZKBCSID-UHFFFAOYSA-N 0 3 218.344 3.226 20 30 BGEDHN CN(CC1=CCCC1)Cc1cccc(C#N)c1 ZINC000401097014 346175626 /nfs/dbraw/zinc/17/56/26/346175626.db2.gz DBVGEEVFULPQMF-UHFFFAOYSA-N 0 3 226.323 3.100 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCCC[C@@H]1CC ZINC000401742489 369371184 /nfs/dbraw/zinc/37/11/84/369371184.db2.gz JWCUNOQELQODTF-BFHYXJOUSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCCC[C@H]1CC ZINC000401742491 369371004 /nfs/dbraw/zinc/37/10/04/369371004.db2.gz JWCUNOQELQODTF-HZSPNIEDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCCC[C@@H]1CC ZINC000401742492 369371585 /nfs/dbraw/zinc/37/15/85/369371585.db2.gz JWCUNOQELQODTF-MELADBBJSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCCC[C@H]1CC ZINC000401742494 369371172 /nfs/dbraw/zinc/37/11/72/369371172.db2.gz JWCUNOQELQODTF-MGPQQGTHSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CNCC(C)(C)C#N ZINC000401760233 347787403 /nfs/dbraw/zinc/78/74/03/347787403.db2.gz RPSSNBSLCSTOMM-CHWSQXEVSA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CNCC(C)(C)C#N ZINC000401760236 347787395 /nfs/dbraw/zinc/78/73/95/347787395.db2.gz RPSSNBSLCSTOMM-OLZOCXBDSA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1CNCC(C)(C)C#N ZINC000401760241 347787413 /nfs/dbraw/zinc/78/74/13/347787413.db2.gz RPSSNBSLCSTOMM-QWHCGFSZSA-N 0 3 222.376 3.342 20 30 BGEDHN CC[C@H]1CCCC[C@H]1CNCC(C)(C)C#N ZINC000401760245 347787620 /nfs/dbraw/zinc/78/76/20/347787620.db2.gz RPSSNBSLCSTOMM-STQMWFEESA-N 0 3 222.376 3.342 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403076655 353719660 /nfs/dbraw/zinc/71/96/60/353719660.db2.gz MOFNYQWRLCTMRJ-HZSPNIEDSA-N 0 3 220.360 3.047 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403076660 353720594 /nfs/dbraw/zinc/72/05/94/353720594.db2.gz MOFNYQWRLCTMRJ-MCIONIFRSA-N 0 3 220.360 3.047 20 30 BGEDHN CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[C@@H]1C#N ZINC000403635181 353494508 /nfs/dbraw/zinc/49/45/08/353494508.db2.gz GFKWTOWRGFORMY-ARILJUKYSA-N 0 3 232.371 3.047 20 30 BGEDHN CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[C@H]1C#N ZINC000403635188 353494496 /nfs/dbraw/zinc/49/44/96/353494496.db2.gz GFKWTOWRGFORMY-MRLBHPIUSA-N 0 3 232.371 3.047 20 30 BGEDHN CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[C@H]1C#N ZINC000403635196 353494700 /nfs/dbraw/zinc/49/47/00/353494700.db2.gz GFKWTOWRGFORMY-NIFZNCRKSA-N 0 3 232.371 3.047 20 30 BGEDHN CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[C@@H]1C#N ZINC000403635203 353494550 /nfs/dbraw/zinc/49/45/50/353494550.db2.gz GFKWTOWRGFORMY-ZSAUSMIDSA-N 0 3 232.371 3.047 20 30 BGEDHN CN(Cc1ccc(C#N)c(F)c1)C1CC(C)(C)C1 ZINC000404046771 529983337 /nfs/dbraw/zinc/98/33/37/529983337.db2.gz CYDBKQVFOGSSRI-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN N#Cc1ccc(CNCC2=CCCCC2)cc1F ZINC000404062335 229364294 /nfs/dbraw/zinc/36/42/94/229364294.db2.gz MNQYLEVCXUDEEH-UHFFFAOYSA-N 0 3 244.313 3.287 20 30 BGEDHN CC1(C2(NCc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000404063171 527903813 /nfs/dbraw/zinc/90/38/13/527903813.db2.gz MYUAXBGFYDUGJS-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000404065851 529423163 /nfs/dbraw/zinc/42/31/63/529423163.db2.gz JUWFCHLGOISJMF-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000404065854 388633185 /nfs/dbraw/zinc/63/31/85/388633185.db2.gz JUWFCHLGOISJMF-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000404065855 529316174 /nfs/dbraw/zinc/31/61/74/529316174.db2.gz JUWFCHLGOISJMF-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000404065857 529439313 /nfs/dbraw/zinc/43/93/13/529439313.db2.gz JUWFCHLGOISJMF-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000404078356 229365734 /nfs/dbraw/zinc/36/57/34/229365734.db2.gz OFKDEXGXWSZUDI-GRYCIOLGSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000404078360 229365898 /nfs/dbraw/zinc/36/58/98/229365898.db2.gz OFKDEXGXWSZUDI-IJLUTSLNSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000404078363 229365069 /nfs/dbraw/zinc/36/50/69/229365069.db2.gz OFKDEXGXWSZUDI-UTUOFQBUSA-N 0 3 246.329 3.174 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)[C@H]1C ZINC000404078366 229365633 /nfs/dbraw/zinc/36/56/33/229365633.db2.gz OFKDEXGXWSZUDI-WOPDTQHZSA-N 0 3 246.329 3.174 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000404088851 528411617 /nfs/dbraw/zinc/41/16/17/528411617.db2.gz SJSWOBHKOKWXLK-UKRRQHHQSA-N 0 3 246.329 3.222 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000404099402 534037120 /nfs/dbraw/zinc/03/71/20/534037120.db2.gz CIZVUMQBTFBPIA-VXGBXAGGSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404141536 527799498 /nfs/dbraw/zinc/79/94/98/527799498.db2.gz LYZWJKPDNPLZIL-AWEZNQCLSA-N 0 3 246.329 3.175 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404141541 528700400 /nfs/dbraw/zinc/70/04/00/528700400.db2.gz LYZWJKPDNPLZIL-CQSZACIVSA-N 0 3 246.329 3.175 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CC23CCCC3)cc1F ZINC000404233520 229380922 /nfs/dbraw/zinc/38/09/22/229380922.db2.gz RXYHIWPVJNIJEX-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CC23CCCC3)cc1F ZINC000404233524 229380752 /nfs/dbraw/zinc/38/07/52/229380752.db2.gz RXYHIWPVJNIJEX-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN C=CCCCCCNCc1cc(C)ns1 ZINC000404388555 384973914 /nfs/dbraw/zinc/97/39/14/384973914.db2.gz YWRNJAYSWATIQN-UHFFFAOYSA-N 0 3 224.373 3.288 20 30 BGEDHN C=CCCC[C@H](C)NCc1cc(C)ns1 ZINC000404489322 385020922 /nfs/dbraw/zinc/02/09/22/385020922.db2.gz GJQMFFNZGKBZFV-JTQLQIEISA-N 0 3 224.373 3.286 20 30 BGEDHN C=CCCC[C@@H](C)NCc1cc(C)ns1 ZINC000404489323 385021991 /nfs/dbraw/zinc/02/19/91/385021991.db2.gz GJQMFFNZGKBZFV-SNVBAGLBSA-N 0 3 224.373 3.286 20 30 BGEDHN CC(C)(C#N)CCN1CCC2(CC2(F)F)CC1 ZINC000404882501 369439165 /nfs/dbraw/zinc/43/91/65/369439165.db2.gz GSMSPQQDCBMBRH-UHFFFAOYSA-N 0 3 242.313 3.047 20 30 BGEDHN C[C@@H]1CCCCC[C@@H]1NCC(C)(C)C#N ZINC000405088048 369444086 /nfs/dbraw/zinc/44/40/86/369444086.db2.gz OOKFOAFRAKVCGN-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H]1CCCCC[C@H]1NCC(C)(C)C#N ZINC000405088051 369445089 /nfs/dbraw/zinc/44/50/89/369445089.db2.gz OOKFOAFRAKVCGN-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H]1CCCCC[C@@H]1NCC(C)(C)C#N ZINC000405088054 369444832 /nfs/dbraw/zinc/44/48/32/369444832.db2.gz OOKFOAFRAKVCGN-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H]1CCCCC[C@H]1NCC(C)(C)C#N ZINC000405088057 369444747 /nfs/dbraw/zinc/44/47/47/369444747.db2.gz OOKFOAFRAKVCGN-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN N#CC1(CNC[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 ZINC000405091201 351738979 /nfs/dbraw/zinc/73/89/79/351738979.db2.gz QGKGBBIGOVVJFB-HZSPNIEDSA-N 0 3 232.371 3.096 20 30 BGEDHN N#CC1(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 ZINC000405091202 351738864 /nfs/dbraw/zinc/73/88/64/351738864.db2.gz QGKGBBIGOVVJFB-MCIONIFRSA-N 0 3 232.371 3.096 20 30 BGEDHN C[C@H](CCC1CC1)NCC1(C#N)CCCC1 ZINC000405094145 388637522 /nfs/dbraw/zinc/63/75/22/388637522.db2.gz IJOKKGOTDOKYRW-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CCC1CC1)NCC1(C#N)CCCC1 ZINC000405094147 388637291 /nfs/dbraw/zinc/63/72/91/388637291.db2.gz IJOKKGOTDOKYRW-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](Cc1ccsc1)NCC1(C#N)CCCC1 ZINC000405095931 351742712 /nfs/dbraw/zinc/74/27/12/351742712.db2.gz JIZFPNCDHCXHPS-GFCCVEGCSA-N 0 3 248.395 3.353 20 30 BGEDHN C[C@@H](Cc1ccsc1)NCC1(C#N)CCCC1 ZINC000405095933 351742701 /nfs/dbraw/zinc/74/27/01/351742701.db2.gz JIZFPNCDHCXHPS-LBPRGKRZSA-N 0 3 248.395 3.353 20 30 BGEDHN C[C@H](Cc1cccs1)NCC1(C#N)CCCC1 ZINC000405101418 388637978 /nfs/dbraw/zinc/63/79/78/388637978.db2.gz MXSYXZPRRZHJOA-GFCCVEGCSA-N 0 3 248.395 3.353 20 30 BGEDHN C[C@@H](Cc1cccs1)NCC1(C#N)CCCC1 ZINC000405101420 388638067 /nfs/dbraw/zinc/63/80/67/388638067.db2.gz MXSYXZPRRZHJOA-LBPRGKRZSA-N 0 3 248.395 3.353 20 30 BGEDHN CCc1cc(N2Cc3cccc(C#N)c3C2)ccn1 ZINC000405106294 351776993 /nfs/dbraw/zinc/77/69/93/351776993.db2.gz YLDBCPGNBSHHQE-UHFFFAOYSA-N 0 3 249.317 3.036 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H]1CC1(C)C ZINC000405106814 388637477 /nfs/dbraw/zinc/63/74/77/388637477.db2.gz QAITTXUDLSWDAL-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)[C@H]1CC1(C)C ZINC000405106816 388637965 /nfs/dbraw/zinc/63/79/65/388637965.db2.gz QAITTXUDLSWDAL-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H]1CC1(C)C ZINC000405106817 388637232 /nfs/dbraw/zinc/63/72/32/388637232.db2.gz QAITTXUDLSWDAL-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)[C@H]1CC1(C)C ZINC000405106818 388637818 /nfs/dbraw/zinc/63/78/18/388637818.db2.gz QAITTXUDLSWDAL-VXGBXAGGSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)C1(CNCC2(C#N)CCCC2)CC1 ZINC000405122033 369446748 /nfs/dbraw/zinc/44/67/48/369446748.db2.gz IXKRUMZGUDYWHV-UHFFFAOYSA-N 0 3 220.360 3.096 20 30 BGEDHN N#CC1(CNC2CCCCCC2)CCCC1 ZINC000405125353 369446688 /nfs/dbraw/zinc/44/66/88/369446688.db2.gz KRLOODOOESGBFM-UHFFFAOYSA-N 0 3 220.360 3.383 20 30 BGEDHN CC1(C)CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405129051 351857485 /nfs/dbraw/zinc/85/74/85/351857485.db2.gz MHGUZQWCNUWCNR-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405129053 351857455 /nfs/dbraw/zinc/85/74/55/351857455.db2.gz MHGUZQWCNUWCNR-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)C1CCCC1 ZINC000405132437 369446887 /nfs/dbraw/zinc/44/68/87/369446887.db2.gz OHSWKLOSRYENOH-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)C1CCCC1 ZINC000405132438 369446901 /nfs/dbraw/zinc/44/69/01/369446901.db2.gz OHSWKLOSRYENOH-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@H](CNCC2(C#N)CCCC2)C1 ZINC000405136765 351895487 /nfs/dbraw/zinc/89/54/87/351895487.db2.gz BKXUGFPAUWVXGY-KBPBESRZSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@@H]1CCC[C@H](CNCC2(C#N)CCCC2)C1 ZINC000405136770 351895854 /nfs/dbraw/zinc/89/58/54/351895854.db2.gz BKXUGFPAUWVXGY-KGLIPLIRSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@H]1CCC[C@@H](CNCC2(C#N)CCCC2)C1 ZINC000405136780 351895592 /nfs/dbraw/zinc/89/55/92/351895592.db2.gz BKXUGFPAUWVXGY-UONOGXRCSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@@H]1CCC[C@@H](CNCC2(C#N)CCCC2)C1 ZINC000405136786 351895601 /nfs/dbraw/zinc/89/56/01/351895601.db2.gz BKXUGFPAUWVXGY-ZIAGYGMSSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@H]1CC(NCC2(C#N)CCCC2)C[C@H](C)C1 ZINC000405140230 369446617 /nfs/dbraw/zinc/44/66/17/369446617.db2.gz DZAPZWPGTUSWTE-CHWSQXEVSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC(NCC2(C#N)CCCC2)C[C@@H](C)C1 ZINC000405140234 369446202 /nfs/dbraw/zinc/44/62/02/369446202.db2.gz DZAPZWPGTUSWTE-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H]1C[C@H](NCC2(C#N)CCCC2)C[C@@H](C)C1 ZINC000405140238 369446833 /nfs/dbraw/zinc/44/68/33/369446833.db2.gz DZAPZWPGTUSWTE-WDNDVIMCSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](CCc1ccco1)NCC1(C#N)CCCC1 ZINC000405141225 369446766 /nfs/dbraw/zinc/44/67/66/369446766.db2.gz UQIIAGCCQNEHTQ-CYBMUJFWSA-N 0 3 246.354 3.274 20 30 BGEDHN C[C@@H](CCc1ccco1)NCC1(C#N)CCCC1 ZINC000405141231 369446755 /nfs/dbraw/zinc/44/67/55/369446755.db2.gz UQIIAGCCQNEHTQ-ZDUSSCGKSA-N 0 3 246.354 3.274 20 30 BGEDHN N#CC1(CNC[C@@H]2CC=CCC2)CCCC1 ZINC000405142531 369446812 /nfs/dbraw/zinc/44/68/12/369446812.db2.gz VQURPUJEICKGCJ-CYBMUJFWSA-N 0 3 218.344 3.016 20 30 BGEDHN N#CC1(CNC[C@H]2CC=CCC2)CCCC1 ZINC000405142533 369446625 /nfs/dbraw/zinc/44/66/25/369446625.db2.gz VQURPUJEICKGCJ-ZDUSSCGKSA-N 0 3 218.344 3.016 20 30 BGEDHN N#CC1(CNCC2CCCCC2)CCCC1 ZINC000405143303 351953872 /nfs/dbraw/zinc/95/38/72/351953872.db2.gz WEZJZPBHLDILHQ-UHFFFAOYSA-N 0 3 220.360 3.240 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405143862 369446701 /nfs/dbraw/zinc/44/67/01/369446701.db2.gz WSGGDQQVGCRKJS-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405143863 369446497 /nfs/dbraw/zinc/44/64/97/369446497.db2.gz WSGGDQQVGCRKJS-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000405143864 369446290 /nfs/dbraw/zinc/44/62/90/369446290.db2.gz WSGGDQQVGCRKJS-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000405143865 369446540 /nfs/dbraw/zinc/44/65/40/369446540.db2.gz WSGGDQQVGCRKJS-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN CC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000405146433 351961360 /nfs/dbraw/zinc/96/13/60/351961360.db2.gz ZWSDRJVZPGYHMX-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN CC(C)CC[C@@H](C)NCC1(C#N)CCCC1 ZINC000405148915 351959312 /nfs/dbraw/zinc/95/93/12/351959312.db2.gz FMGYANOKYPWTKB-CYBMUJFWSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)CC[C@H](C)NCC1(C#N)CCCC1 ZINC000405148917 351959509 /nfs/dbraw/zinc/95/95/09/351959509.db2.gz FMGYANOKYPWTKB-ZDUSSCGKSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](CNCC1(C#N)CCCC1)C(C)(C)C ZINC000405153428 351982254 /nfs/dbraw/zinc/98/22/54/351982254.db2.gz IOXHVEJEBLWVQG-GFCCVEGCSA-N 0 3 222.376 3.342 20 30 BGEDHN C[C@@H](CNCC1(C#N)CCCC1)C(C)(C)C ZINC000405153429 351982618 /nfs/dbraw/zinc/98/26/18/351982618.db2.gz IOXHVEJEBLWVQG-LBPRGKRZSA-N 0 3 222.376 3.342 20 30 BGEDHN N#CC1(CNC2CCC(F)(F)CC2)CCCC1 ZINC000405160236 351981501 /nfs/dbraw/zinc/98/15/01/351981501.db2.gz WVKMUQATUKUQHU-UHFFFAOYSA-N 0 3 242.313 3.238 20 30 BGEDHN C[C@H](CN(C)CC(C)(C)C#N)C(C)(C)C ZINC000405169550 369448279 /nfs/dbraw/zinc/44/82/79/369448279.db2.gz MIKMMZMRBGUORR-LLVKDONJSA-N 0 3 210.365 3.150 20 30 BGEDHN C[C@@H](CN(C)CC(C)(C)C#N)C(C)(C)C ZINC000405169551 369448024 /nfs/dbraw/zinc/44/80/24/369448024.db2.gz MIKMMZMRBGUORR-NSHDSACASA-N 0 3 210.365 3.150 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCCC1)C1CCC1 ZINC000405170512 369448126 /nfs/dbraw/zinc/44/81/26/369448126.db2.gz NCHAYHJOOYXLGG-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)C1CCC1 ZINC000405170513 369447787 /nfs/dbraw/zinc/44/77/87/369447787.db2.gz NCHAYHJOOYXLGG-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)[C@H]1C ZINC000405186228 369447802 /nfs/dbraw/zinc/44/78/02/369447802.db2.gz KRBQTGCLFJTLIB-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)[C@@H]1C ZINC000405186230 369448469 /nfs/dbraw/zinc/44/84/69/369448469.db2.gz KRBQTGCLFJTLIB-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)[C@@H]1C ZINC000405186231 369447708 /nfs/dbraw/zinc/44/77/08/369447708.db2.gz KRBQTGCLFJTLIB-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)[C@H]1C ZINC000405186233 369447899 /nfs/dbraw/zinc/44/78/99/369447899.db2.gz KRBQTGCLFJTLIB-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C[C@@H]1C ZINC000405187830 369448452 /nfs/dbraw/zinc/44/84/52/369448452.db2.gz MSCSKICCNGOVMK-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C[C@H]1C ZINC000405187832 369448405 /nfs/dbraw/zinc/44/84/05/369448405.db2.gz MSCSKICCNGOVMK-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C[C@H]1C ZINC000405187834 369448426 /nfs/dbraw/zinc/44/84/26/369448426.db2.gz MSCSKICCNGOVMK-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C[C@@H]1C ZINC000405187836 369447596 /nfs/dbraw/zinc/44/75/96/369447596.db2.gz MSCSKICCNGOVMK-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)[C@@H](C)C1 ZINC000405189298 369447730 /nfs/dbraw/zinc/44/77/30/369447730.db2.gz OQCPWOAZCJHRJN-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000405189299 369448430 /nfs/dbraw/zinc/44/84/30/369448430.db2.gz OQCPWOAZCJHRJN-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000405189300 369448193 /nfs/dbraw/zinc/44/81/93/369448193.db2.gz OQCPWOAZCJHRJN-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)[C@@H](C)C1 ZINC000405189301 369448363 /nfs/dbraw/zinc/44/83/63/369448363.db2.gz OQCPWOAZCJHRJN-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H]1CCCC[C@H]1CNCC1(C#N)CCCC1 ZINC000405191026 352088287 /nfs/dbraw/zinc/08/82/87/352088287.db2.gz RARJRXUXXLCLSQ-KBPBESRZSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CNCC1(C#N)CCCC1 ZINC000405191027 352088121 /nfs/dbraw/zinc/08/81/21/352088121.db2.gz RARJRXUXXLCLSQ-KGLIPLIRSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CNCC1(C#N)CCCC1 ZINC000405191028 352087945 /nfs/dbraw/zinc/08/79/45/352087945.db2.gz RARJRXUXXLCLSQ-UONOGXRCSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CNCC1(C#N)CCCC1 ZINC000405191029 352088431 /nfs/dbraw/zinc/08/84/31/352088431.db2.gz RARJRXUXXLCLSQ-ZIAGYGMSSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@@H](CNCC1(C#N)CCCC1)c1ccccc1 ZINC000405201007 352115437 /nfs/dbraw/zinc/11/54/37/352115437.db2.gz SLPYBIXMEGHJEG-AWEZNQCLSA-N 0 3 242.366 3.464 20 30 BGEDHN C[C@H](CNCC1(C#N)CCCC1)c1ccccc1 ZINC000405201008 352115303 /nfs/dbraw/zinc/11/53/03/352115303.db2.gz SLPYBIXMEGHJEG-CQSZACIVSA-N 0 3 242.366 3.464 20 30 BGEDHN CCC(CC)CNCC1(C#N)CCCC1 ZINC000405212142 369449549 /nfs/dbraw/zinc/44/95/49/369449549.db2.gz DIVJCWYYXMVTQO-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN CC(C)CCCNCC1(C#N)CCCC1 ZINC000405212467 369449221 /nfs/dbraw/zinc/44/92/21/369449221.db2.gz DOHZFIDTDVIZCK-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN CCCC[C@@H](C)NCC1(C#N)CCCC1 ZINC000405224791 369449077 /nfs/dbraw/zinc/44/90/77/369449077.db2.gz PAYWNICGHKAJMX-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN CCCC[C@H](C)NCC1(C#N)CCCC1 ZINC000405224792 369449673 /nfs/dbraw/zinc/44/96/73/369449673.db2.gz PAYWNICGHKAJMX-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCCC1)C(C)C ZINC000405225704 369449289 /nfs/dbraw/zinc/44/92/89/369449289.db2.gz PVTUQZGBTCLZDF-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)C(C)C ZINC000405225708 369450007 /nfs/dbraw/zinc/45/00/07/369450007.db2.gz PVTUQZGBTCLZDF-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)(C)CCNCC1(C#N)CCCC1 ZINC000405229794 369449852 /nfs/dbraw/zinc/44/98/52/369449852.db2.gz UKGWYBFWCOIEEB-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN CC(C)C[C@@H](C)NCC1(C#N)CCCC1 ZINC000405235418 363075810 /nfs/dbraw/zinc/07/58/10/363075810.db2.gz ZLOMXQQXLYBNBB-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)C[C@H](C)NCC1(C#N)CCCC1 ZINC000405235419 369449326 /nfs/dbraw/zinc/44/93/26/369449326.db2.gz ZLOMXQQXLYBNBB-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CCN(CCC(C)(C)C1CC1)C[C@H](C)C#N ZINC000406060865 368586536 /nfs/dbraw/zinc/58/65/36/368586536.db2.gz JKTNWBGJMJWOKA-GFCCVEGCSA-N 0 3 222.376 3.294 20 30 BGEDHN CCN(CCC(C)(C)C1CC1)C[C@@H](C)C#N ZINC000406060866 368586731 /nfs/dbraw/zinc/58/67/31/368586731.db2.gz JKTNWBGJMJWOKA-LBPRGKRZSA-N 0 3 222.376 3.294 20 30 BGEDHN CC#CCCN(Cc1cccs1)C(C)C ZINC000409444332 191009685 /nfs/dbraw/zinc/00/96/85/191009685.db2.gz KLEPJMHIZPLVBE-UHFFFAOYSA-N 0 3 221.369 3.372 20 30 BGEDHN CC#CCCN1CC=C(C(C)(C)C)CC1 ZINC000409444391 191010791 /nfs/dbraw/zinc/01/07/91/191010791.db2.gz DXQCSWFIICLVHM-UHFFFAOYSA-N 0 3 205.345 3.078 20 30 BGEDHN C=C(C)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000409444451 191010081 /nfs/dbraw/zinc/01/00/81/191010081.db2.gz UKHZYYRRUWBLSK-SECBINFHSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(C)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000409444452 191010803 /nfs/dbraw/zinc/01/08/03/191010803.db2.gz UKHZYYRRUWBLSK-VIFPVBQESA-N 0 3 221.266 3.225 20 30 BGEDHN CC#CCCN1CC[C@H](C(F)(F)F)C1(C)C ZINC000409444668 191013953 /nfs/dbraw/zinc/01/39/53/191013953.db2.gz IKQJWHQQIIQEAI-JTQLQIEISA-N 0 3 233.277 3.063 20 30 BGEDHN CC#CCCN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000409444669 191013510 /nfs/dbraw/zinc/01/35/10/191013510.db2.gz IKQJWHQQIIQEAI-SNVBAGLBSA-N 0 3 233.277 3.063 20 30 BGEDHN CC(C)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409445201 191013871 /nfs/dbraw/zinc/01/38/71/191013871.db2.gz XFTLZFQLVNNDFU-CVEARBPZSA-N 0 3 242.366 3.414 20 30 BGEDHN CC(C)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409445202 191013842 /nfs/dbraw/zinc/01/38/42/191013842.db2.gz XFTLZFQLVNNDFU-HZPDHXFCSA-N 0 3 242.366 3.414 20 30 BGEDHN C=CCN(Cc1cccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411130434 191161418 /nfs/dbraw/zinc/16/14/18/191161418.db2.gz DDTFAKHQFHBQMX-CHWSQXEVSA-N 0 3 246.379 3.428 20 30 BGEDHN C=CCN(Cc1cccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000411130440 191161652 /nfs/dbraw/zinc/16/16/52/191161652.db2.gz DDTFAKHQFHBQMX-OLZOCXBDSA-N 0 3 246.379 3.428 20 30 BGEDHN C=CCN(Cc1cccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000411130442 191161144 /nfs/dbraw/zinc/16/11/44/191161144.db2.gz DDTFAKHQFHBQMX-QWHCGFSZSA-N 0 3 246.379 3.428 20 30 BGEDHN C=CCN(Cc1cccs1)[C@H]1CC[C@H](C#N)C1 ZINC000411130444 191162247 /nfs/dbraw/zinc/16/22/47/191162247.db2.gz DDTFAKHQFHBQMX-STQMWFEESA-N 0 3 246.379 3.428 20 30 BGEDHN Cc1ccsc1CN(C)[C@H](C)CCC#N ZINC000411130625 191161258 /nfs/dbraw/zinc/16/12/58/191161258.db2.gz GQDXWSBAUZXUNJ-LLVKDONJSA-N 0 3 222.357 3.181 20 30 BGEDHN Cc1ccsc1CN(C)[C@@H](C)CCC#N ZINC000411130631 191162159 /nfs/dbraw/zinc/16/21/59/191162159.db2.gz GQDXWSBAUZXUNJ-NSHDSACASA-N 0 3 222.357 3.181 20 30 BGEDHN C=CCN(Cc1cccs1)[C@H](C)CCOC ZINC000411141854 488074785 /nfs/dbraw/zinc/07/47/85/488074785.db2.gz VPJDSLQJLSJCMZ-GFCCVEGCSA-N 0 3 239.384 3.161 20 30 BGEDHN C=CCN(Cc1cccs1)[C@@H](C)CCOC ZINC000411141855 488074818 /nfs/dbraw/zinc/07/48/18/488074818.db2.gz VPJDSLQJLSJCMZ-LBPRGKRZSA-N 0 3 239.384 3.161 20 30 BGEDHN CCc1ccc(CN(C)[C@H](C)CCC#N)cc1 ZINC000411146743 191164393 /nfs/dbraw/zinc/16/43/93/191164393.db2.gz HBOKTCNLCJOARO-CYBMUJFWSA-N 0 3 230.355 3.373 20 30 BGEDHN CCc1ccc(CN(C)[C@@H](C)CCC#N)cc1 ZINC000411146756 191165186 /nfs/dbraw/zinc/16/51/86/191165186.db2.gz HBOKTCNLCJOARO-ZDUSSCGKSA-N 0 3 230.355 3.373 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@H](C)CCC#N ZINC000411151737 191164368 /nfs/dbraw/zinc/16/43/68/191164368.db2.gz DNFQWPYTNHKQDF-GFCCVEGCSA-N 0 3 234.318 3.340 20 30 BGEDHN CCN(Cc1cccc(F)c1)[C@@H](C)CCC#N ZINC000411151742 191164641 /nfs/dbraw/zinc/16/46/41/191164641.db2.gz DNFQWPYTNHKQDF-LBPRGKRZSA-N 0 3 234.318 3.340 20 30 BGEDHN C=CCN(CC=C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411160304 191162843 /nfs/dbraw/zinc/16/28/43/191162843.db2.gz BRJJCBQVVRLXIX-GJZGRUSLSA-N 0 3 231.314 3.356 20 30 BGEDHN C=CCN(CC=C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411160309 191163584 /nfs/dbraw/zinc/16/35/84/191163584.db2.gz BRJJCBQVVRLXIX-LSDHHAIUSA-N 0 3 231.314 3.356 20 30 BGEDHN C=CCN(CC=C)[C@H](C)c1cccc(OC)c1 ZINC000411167168 191165763 /nfs/dbraw/zinc/16/57/63/191165763.db2.gz WDUULIVYHCWFST-CYBMUJFWSA-N 0 3 231.339 3.430 20 30 BGEDHN C=CCN(CC=C)[C@@H](C)c1cccc(OC)c1 ZINC000411167169 191165501 /nfs/dbraw/zinc/16/55/01/191165501.db2.gz WDUULIVYHCWFST-ZDUSSCGKSA-N 0 3 231.339 3.430 20 30 BGEDHN C=CCN(CC=C)[C@@H](CCOC)c1ccccc1 ZINC000411167356 191166465 /nfs/dbraw/zinc/16/64/65/191166465.db2.gz WWQWPBGRNASHPU-INIZCTEOSA-N 0 3 245.366 3.438 20 30 BGEDHN C=CCN(CC=C)[C@H](CCOC)c1ccccc1 ZINC000411167358 191166530 /nfs/dbraw/zinc/16/65/30/191166530.db2.gz WWQWPBGRNASHPU-MRXNPFEDSA-N 0 3 245.366 3.438 20 30 BGEDHN CCN(CCC1(C#N)CCCCC1)C1CC1 ZINC000411169689 191166236 /nfs/dbraw/zinc/16/62/36/191166236.db2.gz SATODICFWGKSRJ-UHFFFAOYSA-N 0 3 220.360 3.335 20 30 BGEDHN C[C@H](CCC#N)N1CCC[C@H](c2nccs2)C1 ZINC000411207187 191170018 /nfs/dbraw/zinc/17/00/18/191170018.db2.gz GPFRSVWXELVXAB-NEPJUHHUSA-N 0 3 249.383 3.015 20 30 BGEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nccs2)C1 ZINC000411207190 191169745 /nfs/dbraw/zinc/16/97/45/191169745.db2.gz GPFRSVWXELVXAB-NWDGAFQWSA-N 0 3 249.383 3.015 20 30 BGEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nccs2)C1 ZINC000411207192 191169387 /nfs/dbraw/zinc/16/93/87/191169387.db2.gz GPFRSVWXELVXAB-RYUDHWBXSA-N 0 3 249.383 3.015 20 30 BGEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nccs2)C1 ZINC000411207194 191169346 /nfs/dbraw/zinc/16/93/46/191169346.db2.gz GPFRSVWXELVXAB-VXGBXAGGSA-N 0 3 249.383 3.015 20 30 BGEDHN N#CC1(CCN2CCC23CCC3)CCCCC1 ZINC000411304127 191175825 /nfs/dbraw/zinc/17/58/25/191175825.db2.gz BKKOMMHZJWJEQW-UHFFFAOYSA-N 0 3 232.371 3.479 20 30 BGEDHN CSCCN(C)CCC1(C#N)CCCCC1 ZINC000411350137 191179002 /nfs/dbraw/zinc/17/90/02/191179002.db2.gz RSUVYERKRZXBOL-UHFFFAOYSA-N 0 3 240.416 3.145 20 30 BGEDHN C[C@H](CCC#N)N1CC=C(C(C)(C)C)CC1 ZINC000411426124 191184301 /nfs/dbraw/zinc/18/43/01/191184301.db2.gz YNKDNNPEITZVEU-GFCCVEGCSA-N 0 3 220.360 3.357 20 30 BGEDHN C[C@@H](CCC#N)N1CC=C(C(C)(C)C)CC1 ZINC000411426127 191184609 /nfs/dbraw/zinc/18/46/09/191184609.db2.gz YNKDNNPEITZVEU-LBPRGKRZSA-N 0 3 220.360 3.357 20 30 BGEDHN COc1ccc(C)cc1[C@@H](C)N[C@H](C)CCC#N ZINC000411446085 191185579 /nfs/dbraw/zinc/18/55/79/191185579.db2.gz ACMCYAXVMBJVPO-CHWSQXEVSA-N 0 3 246.354 3.347 20 30 BGEDHN COc1ccc(C)cc1[C@H](C)N[C@H](C)CCC#N ZINC000411446088 191186302 /nfs/dbraw/zinc/18/63/02/191186302.db2.gz ACMCYAXVMBJVPO-OLZOCXBDSA-N 0 3 246.354 3.347 20 30 BGEDHN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)CCC#N ZINC000411446090 191186148 /nfs/dbraw/zinc/18/61/48/191186148.db2.gz ACMCYAXVMBJVPO-QWHCGFSZSA-N 0 3 246.354 3.347 20 30 BGEDHN COc1ccc(C)cc1[C@H](C)N[C@@H](C)CCC#N ZINC000411446093 191185561 /nfs/dbraw/zinc/18/55/61/191185561.db2.gz ACMCYAXVMBJVPO-STQMWFEESA-N 0 3 246.354 3.347 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1F ZINC000411470855 191187906 /nfs/dbraw/zinc/18/79/06/191187906.db2.gz DJIPECPKSORIGD-NWDGAFQWSA-N 0 3 234.318 3.477 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1F ZINC000411470859 191187539 /nfs/dbraw/zinc/18/75/39/191187539.db2.gz DJIPECPKSORIGD-VXGBXAGGSA-N 0 3 234.318 3.477 20 30 BGEDHN C=C(C)CN(C)CCC1(C#N)CCCCC1 ZINC000411483511 398182764 /nfs/dbraw/zinc/18/27/64/398182764.db2.gz DXFYNPZURWHBHE-UHFFFAOYSA-N 0 3 220.360 3.358 20 30 BGEDHN CC(C)CC[C@@H](NCCC#N)C(C)(C)C ZINC000411486029 191188729 /nfs/dbraw/zinc/18/87/29/191188729.db2.gz HALHMMWLPVQBAC-GFCCVEGCSA-N 0 3 210.365 3.341 20 30 BGEDHN CC(C)CC[C@H](NCCC#N)C(C)(C)C ZINC000411486032 191188746 /nfs/dbraw/zinc/18/87/46/191188746.db2.gz HALHMMWLPVQBAC-LBPRGKRZSA-N 0 3 210.365 3.341 20 30 BGEDHN C=C(C)CN(C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411487486 191188579 /nfs/dbraw/zinc/18/85/79/191188579.db2.gz MXTUXCSKXYWSJY-KBPBESRZSA-N 0 3 219.303 3.190 20 30 BGEDHN C=C(C)CN(C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411487487 191188543 /nfs/dbraw/zinc/18/85/43/191188543.db2.gz MXTUXCSKXYWSJY-UONOGXRCSA-N 0 3 219.303 3.190 20 30 BGEDHN CCC[C@@H](NCCC#N)C1CCCCC1 ZINC000411487766 191188521 /nfs/dbraw/zinc/18/85/21/191188521.db2.gz KCKSIDGDJFOAEU-CYBMUJFWSA-N 0 3 208.349 3.239 20 30 BGEDHN CCC[C@H](NCCC#N)C1CCCCC1 ZINC000411487767 191188277 /nfs/dbraw/zinc/18/82/77/191188277.db2.gz KCKSIDGDJFOAEU-ZDUSSCGKSA-N 0 3 208.349 3.239 20 30 BGEDHN N#CCCN[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000411549021 191193341 /nfs/dbraw/zinc/19/33/41/191193341.db2.gz FUWKPXHVFFJHCO-CVEARBPZSA-N 0 3 242.366 3.291 20 30 BGEDHN N#CCCN[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000411549022 191192150 /nfs/dbraw/zinc/19/21/50/191192150.db2.gz FUWKPXHVFFJHCO-HOTGVXAUSA-N 0 3 242.366 3.291 20 30 BGEDHN N#CCCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000411549023 191193002 /nfs/dbraw/zinc/19/30/02/191193002.db2.gz FUWKPXHVFFJHCO-HZPDHXFCSA-N 0 3 242.366 3.291 20 30 BGEDHN N#CCCN[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000411549024 191193273 /nfs/dbraw/zinc/19/32/73/191193273.db2.gz FUWKPXHVFFJHCO-JKSUJKDBSA-N 0 3 242.366 3.291 20 30 BGEDHN C[C@H](CCC#N)N1Cc2ccccc2C2(CC2)C1 ZINC000411564814 191194526 /nfs/dbraw/zinc/19/45/26/191194526.db2.gz WIPUAKNAHZTHLW-CYBMUJFWSA-N 0 3 240.350 3.226 20 30 BGEDHN C[C@@H](CCC#N)N1Cc2ccccc2C2(CC2)C1 ZINC000411564827 191193768 /nfs/dbraw/zinc/19/37/68/191193768.db2.gz WIPUAKNAHZTHLW-ZDUSSCGKSA-N 0 3 240.350 3.226 20 30 BGEDHN C[C@H](CCC#N)N[C@@H]1CCCc2c(O)cccc21 ZINC000411616572 191198432 /nfs/dbraw/zinc/19/84/32/191198432.db2.gz FLPYXXBETMNDLB-BXUZGUMPSA-N 0 3 244.338 3.051 20 30 BGEDHN C[C@@H](CCC#N)N[C@H]1CCCc2c(O)cccc21 ZINC000411616574 191198427 /nfs/dbraw/zinc/19/84/27/191198427.db2.gz FLPYXXBETMNDLB-FZMZJTMJSA-N 0 3 244.338 3.051 20 30 BGEDHN C[C@H](CCC#N)N[C@H]1CCCc2c(O)cccc21 ZINC000411616576 191197730 /nfs/dbraw/zinc/19/77/30/191197730.db2.gz FLPYXXBETMNDLB-RISCZKNCSA-N 0 3 244.338 3.051 20 30 BGEDHN C[C@@H](CCC#N)N[C@@H]1CCCc2c(O)cccc21 ZINC000411616579 191198130 /nfs/dbraw/zinc/19/81/30/191198130.db2.gz FLPYXXBETMNDLB-SMDDNHRTSA-N 0 3 244.338 3.051 20 30 BGEDHN Cc1ccc2c(c1)CCN([C@H](C)CCC#N)C2 ZINC000411625861 191200236 /nfs/dbraw/zinc/20/02/36/191200236.db2.gz XRUYDRMSUZWEPT-CYBMUJFWSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1ccc2c(c1)CCN([C@@H](C)CCC#N)C2 ZINC000411625864 191199846 /nfs/dbraw/zinc/19/98/46/191199846.db2.gz XRUYDRMSUZWEPT-ZDUSSCGKSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@H](C)CCC#N ZINC000411628539 191199361 /nfs/dbraw/zinc/19/93/61/191199361.db2.gz VPYNSFSFOGAPQN-GFCCVEGCSA-N 0 3 234.318 3.258 20 30 BGEDHN Cc1cc(F)ccc1CN(C)[C@@H](C)CCC#N ZINC000411628540 191200269 /nfs/dbraw/zinc/20/02/69/191200269.db2.gz VPYNSFSFOGAPQN-LBPRGKRZSA-N 0 3 234.318 3.258 20 30 BGEDHN Cc1ccc(C)c(CN(C)[C@@H](C)CCC#N)c1 ZINC000411630657 191198994 /nfs/dbraw/zinc/19/89/94/191198994.db2.gz JKXGVKRBMGHHDF-AWEZNQCLSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1ccc(C)c(CN(C)[C@H](C)CCC#N)c1 ZINC000411630658 191199431 /nfs/dbraw/zinc/19/94/31/191199431.db2.gz JKXGVKRBMGHHDF-CQSZACIVSA-N 0 3 230.355 3.428 20 30 BGEDHN C[C@H](CCC#N)N(C)Cc1cccc2[nH]ccc21 ZINC000411632206 191200110 /nfs/dbraw/zinc/20/01/10/191200110.db2.gz PECCZTRDUBDNBZ-GFCCVEGCSA-N 0 3 241.338 3.292 20 30 BGEDHN C[C@@H](CCC#N)N(C)Cc1cccc2[nH]ccc21 ZINC000411632209 191199639 /nfs/dbraw/zinc/19/96/39/191199639.db2.gz PECCZTRDUBDNBZ-LBPRGKRZSA-N 0 3 241.338 3.292 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@@H](C)CCC#N)c1 ZINC000411637047 191200920 /nfs/dbraw/zinc/20/09/20/191200920.db2.gz PWYDCLFOOBZQQK-AWEZNQCLSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1cc(C)cc(CN(C)[C@H](C)CCC#N)c1 ZINC000411637049 191201319 /nfs/dbraw/zinc/20/13/19/191201319.db2.gz PWYDCLFOOBZQQK-CQSZACIVSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1cc(CN(C)[C@H](C)CCC#N)ccc1F ZINC000411639824 191197901 /nfs/dbraw/zinc/19/79/01/191197901.db2.gz ILOUESFLVYPEKT-GFCCVEGCSA-N 0 3 234.318 3.258 20 30 BGEDHN Cc1cc(CN(C)[C@@H](C)CCC#N)ccc1F ZINC000411639826 191198249 /nfs/dbraw/zinc/19/82/49/191198249.db2.gz ILOUESFLVYPEKT-LBPRGKRZSA-N 0 3 234.318 3.258 20 30 BGEDHN CC1=C(c2ccco2)CN([C@H](C)CCC#N)CC1 ZINC000411701165 191204444 /nfs/dbraw/zinc/20/44/44/191204444.db2.gz XHYRIHDHKHIKEX-CYBMUJFWSA-N 0 3 244.338 3.451 20 30 BGEDHN CC1=C(c2ccco2)CN([C@@H](C)CCC#N)CC1 ZINC000411701169 191204472 /nfs/dbraw/zinc/20/44/72/191204472.db2.gz XHYRIHDHKHIKEX-ZDUSSCGKSA-N 0 3 244.338 3.451 20 30 BGEDHN C[C@@H](CCC#N)N1CCC(CC(F)(F)F)CC1 ZINC000411762467 191208950 /nfs/dbraw/zinc/20/89/50/191208950.db2.gz BPWNPLICIOUNQE-JTQLQIEISA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H](CCC#N)N1CCC(CC(F)(F)F)CC1 ZINC000411762472 191209550 /nfs/dbraw/zinc/20/95/50/191209550.db2.gz BPWNPLICIOUNQE-SNVBAGLBSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411766691 191208755 /nfs/dbraw/zinc/20/87/55/191208755.db2.gz KROXXHTXVIUKJV-CHWSQXEVSA-N 0 3 220.360 3.191 20 30 BGEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766692 191208854 /nfs/dbraw/zinc/20/88/54/191208854.db2.gz KROXXHTXVIUKJV-OLZOCXBDSA-N 0 3 220.360 3.191 20 30 BGEDHN C[C@@H]1[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC000411766693 191208604 /nfs/dbraw/zinc/20/86/04/191208604.db2.gz KROXXHTXVIUKJV-QWHCGFSZSA-N 0 3 220.360 3.191 20 30 BGEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766695 191209165 /nfs/dbraw/zinc/20/91/65/191209165.db2.gz KROXXHTXVIUKJV-STQMWFEESA-N 0 3 220.360 3.191 20 30 BGEDHN N#CCCN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000411802059 191213246 /nfs/dbraw/zinc/21/32/46/191213246.db2.gz VADAWHCNYFPYBI-UWVGGRQHSA-N 0 3 234.265 3.001 20 30 BGEDHN Cc1ccc(CN(C)[C@@H](C)CCC#N)cc1C ZINC000411810785 191215713 /nfs/dbraw/zinc/21/57/13/191215713.db2.gz RLCHBKSUFBSSCT-AWEZNQCLSA-N 0 3 230.355 3.428 20 30 BGEDHN Cc1ccc(CN(C)[C@H](C)CCC#N)cc1C ZINC000411810786 191216750 /nfs/dbraw/zinc/21/67/50/191216750.db2.gz RLCHBKSUFBSSCT-CQSZACIVSA-N 0 3 230.355 3.428 20 30 BGEDHN C=C(CC)CN1CCSC2(CCC2)CC1 ZINC000411861986 191223331 /nfs/dbraw/zinc/22/33/31/191223331.db2.gz AHVCPCVFESDGEO-UHFFFAOYSA-N 0 3 225.401 3.314 20 30 BGEDHN C=C(C)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000411987008 191236970 /nfs/dbraw/zinc/23/69/70/191236970.db2.gz SDNOTUKFNFNDTB-HNNXBMFYSA-N 0 3 231.339 3.106 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1F ZINC000412021825 191238194 /nfs/dbraw/zinc/23/81/94/191238194.db2.gz NQXMPZVQDYRQLK-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1ccc(C#N)cc1F ZINC000412021828 191238864 /nfs/dbraw/zinc/23/88/64/191238864.db2.gz NQXMPZVQDYRQLK-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN CCN(Cc1occc1C)[C@H](C)CCC#N ZINC000412022813 191238115 /nfs/dbraw/zinc/23/81/15/191238115.db2.gz AIHUIEMYQPTFKI-GFCCVEGCSA-N 0 3 220.316 3.102 20 30 BGEDHN CCN(Cc1occc1C)[C@@H](C)CCC#N ZINC000412022814 191238284 /nfs/dbraw/zinc/23/82/84/191238284.db2.gz AIHUIEMYQPTFKI-LBPRGKRZSA-N 0 3 220.316 3.102 20 30 BGEDHN CCN(Cc1occc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000412023046 191238032 /nfs/dbraw/zinc/23/80/32/191238032.db2.gz AYBVEYLSFUDGCT-CHWSQXEVSA-N 0 3 232.327 3.102 20 30 BGEDHN CCN(Cc1occc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000412023047 191238792 /nfs/dbraw/zinc/23/87/92/191238792.db2.gz AYBVEYLSFUDGCT-OLZOCXBDSA-N 0 3 232.327 3.102 20 30 BGEDHN CCN(Cc1occc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000412023048 191238122 /nfs/dbraw/zinc/23/81/22/191238122.db2.gz AYBVEYLSFUDGCT-QWHCGFSZSA-N 0 3 232.327 3.102 20 30 BGEDHN CCN(Cc1occc1C)[C@H]1CC[C@H](C#N)C1 ZINC000412023049 191237829 /nfs/dbraw/zinc/23/78/29/191237829.db2.gz AYBVEYLSFUDGCT-STQMWFEESA-N 0 3 232.327 3.102 20 30 BGEDHN C=C(C)CCN(CC)Cc1occc1C ZINC000412023531 191238490 /nfs/dbraw/zinc/23/84/90/191238490.db2.gz COTFMGXDERBLLH-UHFFFAOYSA-N 0 3 207.317 3.376 20 30 BGEDHN C=CCCCN(CC)Cc1occc1C ZINC000412024627 191239294 /nfs/dbraw/zinc/23/92/94/191239294.db2.gz GESZSKXLDNBXMQ-UHFFFAOYSA-N 0 3 207.317 3.376 20 30 BGEDHN C=C(CC)CN(CC)Cc1occc1C ZINC000412025522 191239333 /nfs/dbraw/zinc/23/93/33/191239333.db2.gz IZCRNBUOPZZMCS-UHFFFAOYSA-N 0 3 207.317 3.376 20 30 BGEDHN C=CCOCCCN(CC)Cc1occc1C ZINC000412025795 191239213 /nfs/dbraw/zinc/23/92/13/191239213.db2.gz JPFDPXICGXEDTH-UHFFFAOYSA-N 0 3 237.343 3.003 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1cc(C#N)ccc1F ZINC000412025939 191239666 /nfs/dbraw/zinc/23/96/66/191239666.db2.gz RFPOKVIUYBCEFW-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1cc(C#N)ccc1F ZINC000412025940 191239098 /nfs/dbraw/zinc/23/90/98/191239098.db2.gz RFPOKVIUYBCEFW-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1ccccc1C#N ZINC000412026415 191240497 /nfs/dbraw/zinc/24/04/97/191240497.db2.gz SFWOGOYPTPQFQE-GFCCVEGCSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1ccccc1C#N ZINC000412026417 191239169 /nfs/dbraw/zinc/23/91/69/191239169.db2.gz SFWOGOYPTPQFQE-LBPRGKRZSA-N 0 3 228.339 3.179 20 30 BGEDHN CCN(CCCCC#N)Cc1occc1C ZINC000412027862 191239953 /nfs/dbraw/zinc/23/99/53/191239953.db2.gz QOMKRONWFIKUDX-UHFFFAOYSA-N 0 3 220.316 3.104 20 30 BGEDHN CC(C)(C)C[C@H]1CCN(CCC#N)C1(C)C ZINC000412033392 191242760 /nfs/dbraw/zinc/24/27/60/191242760.db2.gz CMQWDINFGLARDR-GFCCVEGCSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)(C)C[C@@H]1CCN(CCC#N)C1(C)C ZINC000412033394 191242673 /nfs/dbraw/zinc/24/26/73/191242673.db2.gz CMQWDINFGLARDR-LBPRGKRZSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1ccc(F)c(C#N)c1 ZINC000412034291 191248590 /nfs/dbraw/zinc/24/85/90/191248590.db2.gz DVBSCIZKCMIFNP-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1ccc(F)c(C#N)c1 ZINC000412034293 191247849 /nfs/dbraw/zinc/24/78/49/191247849.db2.gz DVBSCIZKCMIFNP-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN CCN(CC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000412045985 191243373 /nfs/dbraw/zinc/24/33/73/191243373.db2.gz ZYCAJXBSDAVSLI-UHFFFAOYSA-N 0 3 220.360 3.191 20 30 BGEDHN C[C@H]1CC(C)(C)CN1CC#Cc1ccccc1 ZINC000412049436 191244787 /nfs/dbraw/zinc/24/47/87/191244787.db2.gz WNAXKQJFXAWEJU-AWEZNQCLSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1CC#Cc1ccccc1 ZINC000412049437 191244883 /nfs/dbraw/zinc/24/48/83/191244883.db2.gz WNAXKQJFXAWEJU-CQSZACIVSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1ccc(C#N)c(F)c1 ZINC000412050385 191245709 /nfs/dbraw/zinc/24/57/09/191245709.db2.gz YIMZOLQSXCGNCH-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1ccc(C#N)c(F)c1 ZINC000412050386 191244911 /nfs/dbraw/zinc/24/49/11/191244911.db2.gz YIMZOLQSXCGNCH-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1cccc(C#N)c1F ZINC000412050394 191246206 /nfs/dbraw/zinc/24/62/06/191246206.db2.gz YKCOOGBRNFUHNS-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1cccc(C#N)c1F ZINC000412050395 191245751 /nfs/dbraw/zinc/24/57/51/191245751.db2.gz YKCOOGBRNFUHNS-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN CN(C)CCSCCC1(C#N)CCCCC1 ZINC000412999385 191334930 /nfs/dbraw/zinc/33/49/30/191334930.db2.gz LZGMTELOSLTXCG-UHFFFAOYSA-N 0 3 240.416 3.145 20 30 BGEDHN CC(C)(CC#N)CNc1ccnc2ccccc21 ZINC000413406258 191380170 /nfs/dbraw/zinc/38/01/70/191380170.db2.gz KCWQSAWIPYPSGE-UHFFFAOYSA-N 0 3 239.322 3.008 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414107321 385970277 /nfs/dbraw/zinc/97/02/77/385970277.db2.gz RYQDOJWAAFUTHA-CHWSQXEVSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414107322 385969331 /nfs/dbraw/zinc/96/93/31/385969331.db2.gz RYQDOJWAAFUTHA-OLZOCXBDSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414107323 398217428 /nfs/dbraw/zinc/21/74/28/398217428.db2.gz RYQDOJWAAFUTHA-QWHCGFSZSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414107324 398217155 /nfs/dbraw/zinc/21/71/55/398217155.db2.gz RYQDOJWAAFUTHA-STQMWFEESA-N 0 3 247.386 3.225 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1C ZINC000414118206 386010277 /nfs/dbraw/zinc/01/02/77/386010277.db2.gz USMJAQHOZGFQAJ-NEPJUHHUSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)cc1C ZINC000414118207 386010178 /nfs/dbraw/zinc/01/01/78/386010178.db2.gz USMJAQHOZGFQAJ-NWDGAFQWSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1C ZINC000414118208 191449954 /nfs/dbraw/zinc/44/99/54/191449954.db2.gz USMJAQHOZGFQAJ-RYUDHWBXSA-N 0 3 219.328 3.229 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)cc1C ZINC000414118209 386011574 /nfs/dbraw/zinc/01/15/74/386011574.db2.gz USMJAQHOZGFQAJ-VXGBXAGGSA-N 0 3 219.328 3.229 20 30 BGEDHN C=CCC1(CN[C@H](C)c2ccn(C)n2)CCCC1 ZINC000414145287 385991356 /nfs/dbraw/zinc/99/13/56/385991356.db2.gz JYYIVEGCXBYASJ-CYBMUJFWSA-N 0 3 247.386 3.207 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2ccn(C)n2)CCCC1 ZINC000414145289 385992893 /nfs/dbraw/zinc/99/28/93/385992893.db2.gz JYYIVEGCXBYASJ-ZDUSSCGKSA-N 0 3 247.386 3.207 20 30 BGEDHN C=CCC[C@@H](N[C@H]1C[C@@H](OCC)C1)c1ccco1 ZINC000414147326 385995740 /nfs/dbraw/zinc/99/57/40/385995740.db2.gz QIAPAHLKFYSWOK-HZSPNIEDSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](N[C@H]1C[C@@H](OCC)C1)c1ccco1 ZINC000414147327 191443862 /nfs/dbraw/zinc/44/38/62/191443862.db2.gz QIAPAHLKFYSWOK-MJBXVCDLSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414147393 191444792 /nfs/dbraw/zinc/44/47/92/191444792.db2.gz RMKKVIHTKGYATG-GFCCVEGCSA-N 0 3 247.386 3.082 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414147395 385995374 /nfs/dbraw/zinc/99/53/74/385995374.db2.gz RMKKVIHTKGYATG-LBPRGKRZSA-N 0 3 247.386 3.082 20 30 BGEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414159606 386045237 /nfs/dbraw/zinc/04/52/37/386045237.db2.gz BPQFNLGXOYRAAH-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 ZINC000414159608 386044464 /nfs/dbraw/zinc/04/44/64/386044464.db2.gz BPQFNLGXOYRAAH-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1cccc([C@@H](C)NCC(C)(C)CC#N)c1 ZINC000414159701 386045171 /nfs/dbraw/zinc/04/51/71/386045171.db2.gz BRDIIGHQKXCBJT-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1cccc([C@H](C)NCC(C)(C)CC#N)c1 ZINC000414159703 386046065 /nfs/dbraw/zinc/04/60/65/386046065.db2.gz BRDIIGHQKXCBJT-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN CCc1cccnc1[C@@H](C)NCC(C)(C)CC#N ZINC000414160122 386045855 /nfs/dbraw/zinc/04/58/55/386045855.db2.gz CNTAPXFJSPNCKC-GFCCVEGCSA-N 0 3 245.370 3.234 20 30 BGEDHN CCc1cccnc1[C@H](C)NCC(C)(C)CC#N ZINC000414160123 386044952 /nfs/dbraw/zinc/04/49/52/386044952.db2.gz CNTAPXFJSPNCKC-LBPRGKRZSA-N 0 3 245.370 3.234 20 30 BGEDHN CC(C)(CC#N)CN[C@H]1CCc2cc(F)ccc21 ZINC000414160366 386045546 /nfs/dbraw/zinc/04/55/46/386045546.db2.gz CRYDZQONCXJMME-AWEZNQCLSA-N 0 3 246.329 3.342 20 30 BGEDHN CC(C)(CC#N)CN[C@@H]1CCc2cc(F)ccc21 ZINC000414160367 386046077 /nfs/dbraw/zinc/04/60/77/386046077.db2.gz CRYDZQONCXJMME-CQSZACIVSA-N 0 3 246.329 3.342 20 30 BGEDHN CC(C)n1cc([C@@H](C)NCC(C)(C)CC#N)cn1 ZINC000414160390 386045298 /nfs/dbraw/zinc/04/52/98/386045298.db2.gz CUJDXCWJGJAZMC-GFCCVEGCSA-N 0 3 248.374 3.054 20 30 BGEDHN CC(C)n1cc([C@H](C)NCC(C)(C)CC#N)cn1 ZINC000414160391 386045741 /nfs/dbraw/zinc/04/57/41/386045741.db2.gz CUJDXCWJGJAZMC-LBPRGKRZSA-N 0 3 248.374 3.054 20 30 BGEDHN CCC[C@@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000414160641 386046258 /nfs/dbraw/zinc/04/62/58/386046258.db2.gz DGNBGXVQRFDUFV-CYBMUJFWSA-N 0 3 245.370 3.452 20 30 BGEDHN CCC[C@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000414160642 191463169 /nfs/dbraw/zinc/46/31/69/191463169.db2.gz DGNBGXVQRFDUFV-ZDUSSCGKSA-N 0 3 245.370 3.452 20 30 BGEDHN Cc1cc([C@@H](C)NCC(C)(C)CC#N)c(C)o1 ZINC000414160727 386046284 /nfs/dbraw/zinc/04/62/84/386046284.db2.gz DMCZJUDWXYCVMT-LLVKDONJSA-N 0 3 234.343 3.487 20 30 BGEDHN Cc1cc([C@H](C)NCC(C)(C)CC#N)c(C)o1 ZINC000414160728 386044982 /nfs/dbraw/zinc/04/49/82/386044982.db2.gz DMCZJUDWXYCVMT-NSHDSACASA-N 0 3 234.343 3.487 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(C#N)cc1 ZINC000414160731 386045110 /nfs/dbraw/zinc/04/51/10/386045110.db2.gz DMXFADAMDGBSOZ-GFCCVEGCSA-N 0 3 241.338 3.149 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(C#N)cc1 ZINC000414160732 386046546 /nfs/dbraw/zinc/04/65/46/386046546.db2.gz DMXFADAMDGBSOZ-LBPRGKRZSA-N 0 3 241.338 3.149 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(C#N)c1 ZINC000414161895 386045283 /nfs/dbraw/zinc/04/52/83/386045283.db2.gz GGUUCEBXMLCKKY-GFCCVEGCSA-N 0 3 241.338 3.149 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(C#N)c1 ZINC000414161896 386046171 /nfs/dbraw/zinc/04/61/71/386046171.db2.gz GGUUCEBXMLCKKY-LBPRGKRZSA-N 0 3 241.338 3.149 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414162866 191462861 /nfs/dbraw/zinc/46/28/61/191462861.db2.gz HWFQOPAXEMJCIK-LLVKDONJSA-N 0 3 234.318 3.416 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414162873 386044535 /nfs/dbraw/zinc/04/45/35/386044535.db2.gz HWFQOPAXEMJCIK-NSHDSACASA-N 0 3 234.318 3.416 20 30 BGEDHN CCC[C@H](NCC(C)(C)CC#N)c1cccnc1 ZINC000414163687 386048253 /nfs/dbraw/zinc/04/82/53/386048253.db2.gz JAOJXMXPMZFYIG-AWEZNQCLSA-N 0 3 245.370 3.452 20 30 BGEDHN CCC[C@@H](NCC(C)(C)CC#N)c1cccnc1 ZINC000414163689 386047813 /nfs/dbraw/zinc/04/78/13/386047813.db2.gz JAOJXMXPMZFYIG-CQSZACIVSA-N 0 3 245.370 3.452 20 30 BGEDHN CC(C)(CC#N)CN[C@H]1CCc2c1cccc2F ZINC000414165076 386048408 /nfs/dbraw/zinc/04/84/08/386048408.db2.gz LDQRTDXJHZYDPH-AWEZNQCLSA-N 0 3 246.329 3.342 20 30 BGEDHN CC(C)(CC#N)CN[C@@H]1CCc2c1cccc2F ZINC000414165077 386048605 /nfs/dbraw/zinc/04/86/05/386048605.db2.gz LDQRTDXJHZYDPH-CQSZACIVSA-N 0 3 246.329 3.342 20 30 BGEDHN CC(C)(CC#N)CN[C@H]1CCc2ccc(F)cc21 ZINC000414165090 386048733 /nfs/dbraw/zinc/04/87/33/386048733.db2.gz LGDKACNNBQFLRT-AWEZNQCLSA-N 0 3 246.329 3.342 20 30 BGEDHN CC(C)(CC#N)CN[C@@H]1CCc2ccc(F)cc21 ZINC000414165091 386048063 /nfs/dbraw/zinc/04/80/63/386048063.db2.gz LGDKACNNBQFLRT-CQSZACIVSA-N 0 3 246.329 3.342 20 30 BGEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)o1 ZINC000414165435 386049050 /nfs/dbraw/zinc/04/90/50/386049050.db2.gz MAOMBJOTKXRAAQ-LLVKDONJSA-N 0 3 220.316 3.179 20 30 BGEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)o1 ZINC000414165436 386048745 /nfs/dbraw/zinc/04/87/45/386048745.db2.gz MAOMBJOTKXRAAQ-NSHDSACASA-N 0 3 220.316 3.179 20 30 BGEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccncc1 ZINC000414165986 386047236 /nfs/dbraw/zinc/04/72/36/386047236.db2.gz MTMXQBYIIFSBMD-CYBMUJFWSA-N 0 3 231.343 3.062 20 30 BGEDHN CC[C@H](NCC(C)(C)CC#N)c1ccncc1 ZINC000414165987 386049126 /nfs/dbraw/zinc/04/91/26/386049126.db2.gz MTMXQBYIIFSBMD-ZDUSSCGKSA-N 0 3 231.343 3.062 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1ccsc1 ZINC000414166801 386050397 /nfs/dbraw/zinc/05/03/97/386050397.db2.gz OFJYYWCNVVNKGM-JTQLQIEISA-N 0 3 222.357 3.339 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccsc1 ZINC000414166804 386050848 /nfs/dbraw/zinc/05/08/48/386050848.db2.gz OFJYYWCNVVNKGM-SNVBAGLBSA-N 0 3 222.357 3.339 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1cccs1 ZINC000414168594 386014177 /nfs/dbraw/zinc/01/41/77/386014177.db2.gz QUDSWXRQXJOGTB-JTQLQIEISA-N 0 3 222.357 3.339 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccs1 ZINC000414168597 386016667 /nfs/dbraw/zinc/01/66/67/386016667.db2.gz QUDSWXRQXJOGTB-SNVBAGLBSA-N 0 3 222.357 3.339 20 30 BGEDHN COc1ccccc1[C@@H](C)NCC(C)(C)CC#N ZINC000414170780 386016331 /nfs/dbraw/zinc/01/63/31/386016331.db2.gz TYPMYIVHUDMTMW-GFCCVEGCSA-N 0 3 246.354 3.286 20 30 BGEDHN COc1ccccc1[C@H](C)NCC(C)(C)CC#N ZINC000414170782 386016585 /nfs/dbraw/zinc/01/65/85/386016585.db2.gz TYPMYIVHUDMTMW-LBPRGKRZSA-N 0 3 246.354 3.286 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1F ZINC000414171171 386015962 /nfs/dbraw/zinc/01/59/62/386015962.db2.gz UKPBKNIHSLKBBU-LLVKDONJSA-N 0 3 234.318 3.416 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1F ZINC000414171173 386016654 /nfs/dbraw/zinc/01/66/54/386016654.db2.gz UKPBKNIHSLKBBU-NSHDSACASA-N 0 3 234.318 3.416 20 30 BGEDHN CC(C)[C@H](NCC(C)(C)CC#N)c1cccnc1 ZINC000414172564 386018334 /nfs/dbraw/zinc/01/83/34/386018334.db2.gz WDNDFQVJBAIJED-AWEZNQCLSA-N 0 3 245.370 3.308 20 30 BGEDHN CC(C)[C@@H](NCC(C)(C)CC#N)c1cccnc1 ZINC000414172566 386018224 /nfs/dbraw/zinc/01/82/24/386018224.db2.gz WDNDFQVJBAIJED-CQSZACIVSA-N 0 3 245.370 3.308 20 30 BGEDHN CC(C)(CC#N)CN[C@@H]1CCCc2occc21 ZINC000414174151 398219005 /nfs/dbraw/zinc/21/90/05/398219005.db2.gz XUECLWBCPWWMSR-GFCCVEGCSA-N 0 3 232.327 3.186 20 30 BGEDHN CC(C)(CC#N)CN[C@H]1CCCc2occc21 ZINC000414174154 398218878 /nfs/dbraw/zinc/21/88/78/398218878.db2.gz XUECLWBCPWWMSR-LBPRGKRZSA-N 0 3 232.327 3.186 20 30 BGEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(F)c1 ZINC000414174199 398218982 /nfs/dbraw/zinc/21/89/82/398218982.db2.gz XWFRPLCRRPZMPG-LLVKDONJSA-N 0 3 234.318 3.416 20 30 BGEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(F)c1 ZINC000414174201 398218674 /nfs/dbraw/zinc/21/86/74/398218674.db2.gz XWFRPLCRRPZMPG-NSHDSACASA-N 0 3 234.318 3.416 20 30 BGEDHN CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414175030 191452793 /nfs/dbraw/zinc/45/27/93/191452793.db2.gz YTNNNLACLHMUHM-GFCCVEGCSA-N 0 3 249.333 3.201 20 30 BGEDHN CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414175032 386020951 /nfs/dbraw/zinc/02/09/51/386020951.db2.gz YTNNNLACLHMUHM-LBPRGKRZSA-N 0 3 249.333 3.201 20 30 BGEDHN Cc1cc([C@@H](C)NCC(C)(C)CC#N)oc1C ZINC000414175722 386020069 /nfs/dbraw/zinc/02/00/69/386020069.db2.gz ZLTKWQSMVZXGFN-LLVKDONJSA-N 0 3 234.343 3.487 20 30 BGEDHN Cc1cc([C@H](C)NCC(C)(C)CC#N)oc1C ZINC000414175723 386020236 /nfs/dbraw/zinc/02/02/36/386020236.db2.gz ZLTKWQSMVZXGFN-NSHDSACASA-N 0 3 234.343 3.487 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1ccn(CC)n1 ZINC000414204174 386040547 /nfs/dbraw/zinc/04/05/47/386040547.db2.gz AZQWTKUXOJHLCF-CYBMUJFWSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCCCC[C@H](C)NCc1ccn(CC)n1 ZINC000414204177 386041318 /nfs/dbraw/zinc/04/13/18/386041318.db2.gz AZQWTKUXOJHLCF-ZDUSSCGKSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1ccn(CC)n1 ZINC000414207516 386061361 /nfs/dbraw/zinc/06/13/61/386061361.db2.gz KGOZLCBCPQQFJQ-CYBMUJFWSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCC[C@H](CCC)NCc1ccn(CC)n1 ZINC000414207517 386061392 /nfs/dbraw/zinc/06/13/92/386061392.db2.gz KGOZLCBCPQQFJQ-ZDUSSCGKSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCNCc1ccc(C(F)(F)F)c(C)c1 ZINC000414276775 386092022 /nfs/dbraw/zinc/09/20/22/386092022.db2.gz WBZUXJJBDZGZEW-UHFFFAOYSA-N 0 3 229.245 3.289 20 30 BGEDHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414276906 398304166 /nfs/dbraw/zinc/30/41/66/398304166.db2.gz ANBWJVPCWGVILK-KCPJHIHWSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414276907 398303860 /nfs/dbraw/zinc/30/38/60/398303860.db2.gz ANBWJVPCWGVILK-NILFDRSVSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1 ZINC000414283987 398304256 /nfs/dbraw/zinc/30/42/56/398304256.db2.gz JZLJBIMIUFFIPK-KCPJHIHWSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1 ZINC000414283990 398304134 /nfs/dbraw/zinc/30/41/34/398304134.db2.gz JZLJBIMIUFFIPK-NILFDRSVSA-N 0 3 246.329 3.490 20 30 BGEDHN C=CCCCCCN(C)Cc1cnc(CC)nc1 ZINC000414396743 386288616 /nfs/dbraw/zinc/28/86/16/386288616.db2.gz PQYVZYOMGWCHFJ-UHFFFAOYSA-N 0 3 247.386 3.217 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccoc1C ZINC000414428462 386417177 /nfs/dbraw/zinc/41/71/77/386417177.db2.gz BFJMHCLSVQUVLD-CYBMUJFWSA-N 0 3 205.301 3.129 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccoc1C ZINC000414428463 386416400 /nfs/dbraw/zinc/41/64/00/386416400.db2.gz BFJMHCLSVQUVLD-ZDUSSCGKSA-N 0 3 205.301 3.129 20 30 BGEDHN C=CCN(CCc1ccco1)Cc1ccoc1C ZINC000414440819 386473652 /nfs/dbraw/zinc/47/36/52/386473652.db2.gz YFSGUUFPGXMPLS-UHFFFAOYSA-N 0 3 245.322 3.412 20 30 BGEDHN C=CCC1(NCc2ccc(C)nn2)CCCCC1 ZINC000414469388 386642296 /nfs/dbraw/zinc/64/22/96/386642296.db2.gz LXYWCTIVHCKCAD-UHFFFAOYSA-N 0 3 245.370 3.154 20 30 BGEDHN C=CCC1(CNCc2ccc(C)nn2)CCCC1 ZINC000414472953 386655116 /nfs/dbraw/zinc/65/51/16/386655116.db2.gz USCLYTJPSHRCDU-UHFFFAOYSA-N 0 3 245.370 3.011 20 30 BGEDHN C=CCC1(NCc2cc(C)n(C)n2)CCCCC1 ZINC000414474157 386656087 /nfs/dbraw/zinc/65/60/87/386656087.db2.gz WMFVDLZDJCJHOD-UHFFFAOYSA-N 0 3 247.386 3.097 20 30 BGEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)o1 ZINC000414480175 388664200 /nfs/dbraw/zinc/66/42/00/388664200.db2.gz INTVPICYQQHGCM-DOMZBBRYSA-N 0 3 244.338 3.067 20 30 BGEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000414480176 388664535 /nfs/dbraw/zinc/66/45/35/388664535.db2.gz INTVPICYQQHGCM-IUODEOHRSA-N 0 3 244.338 3.067 20 30 BGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000414480177 388664722 /nfs/dbraw/zinc/66/47/22/388664722.db2.gz INTVPICYQQHGCM-SWLSCSKDSA-N 0 3 244.338 3.067 20 30 BGEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000414480178 388665003 /nfs/dbraw/zinc/66/50/03/388665003.db2.gz INTVPICYQQHGCM-WFASDCNBSA-N 0 3 244.338 3.067 20 30 BGEDHN Cc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1C#N ZINC000414510137 388665036 /nfs/dbraw/zinc/66/50/36/388665036.db2.gz HDMWPRPHLXXYQA-HUUCEWRRSA-N 0 3 246.329 3.237 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1ccc(C#N)s1 ZINC000414521212 388664757 /nfs/dbraw/zinc/66/47/57/388664757.db2.gz DXPYKYNUUDJOBP-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1ccc(C#N)s1 ZINC000414521214 388664165 /nfs/dbraw/zinc/66/41/65/388664165.db2.gz DXPYKYNUUDJOBP-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1cc(C#N)cs1 ZINC000414528404 388664606 /nfs/dbraw/zinc/66/46/06/388664606.db2.gz UBFKJEKMVXTNLK-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1cc(C#N)cs1 ZINC000414528408 385672298 /nfs/dbraw/zinc/67/22/98/385672298.db2.gz UBFKJEKMVXTNLK-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)(C)[C@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000414529697 388665029 /nfs/dbraw/zinc/66/50/29/388665029.db2.gz CTZBYEQWQGPSJQ-KBPBESRZSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)(C)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000414529699 388664259 /nfs/dbraw/zinc/66/42/59/388664259.db2.gz CTZBYEQWQGPSJQ-KGLIPLIRSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)(C)[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000414529701 388664746 /nfs/dbraw/zinc/66/47/46/388664746.db2.gz CTZBYEQWQGPSJQ-UONOGXRCSA-N 0 3 246.354 3.456 20 30 BGEDHN CC(C)(C)[C@@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000414529703 388664717 /nfs/dbraw/zinc/66/47/17/388664717.db2.gz CTZBYEQWQGPSJQ-ZIAGYGMSSA-N 0 3 246.354 3.456 20 30 BGEDHN CCN(Cc1ccc(C#N)o1)C1CC(C)(C)C1 ZINC000414538859 388664779 /nfs/dbraw/zinc/66/47/79/388664779.db2.gz RNIFPIKLGSHKOJ-UHFFFAOYSA-N 0 3 232.327 3.162 20 30 BGEDHN C[C@H](NC[C@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338654 398305926 /nfs/dbraw/zinc/30/59/26/398305926.db2.gz MYBCTNAEQCMDGB-CMPLNLGQSA-N 0 3 244.313 3.148 20 30 BGEDHN C[C@H](NC[C@@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338656 398306254 /nfs/dbraw/zinc/30/62/54/398306254.db2.gz MYBCTNAEQCMDGB-JQWIXIFHSA-N 0 3 244.313 3.148 20 30 BGEDHN C[C@@H](NC[C@@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338657 398306107 /nfs/dbraw/zinc/30/61/07/398306107.db2.gz MYBCTNAEQCMDGB-PWSUYJOCSA-N 0 3 244.313 3.148 20 30 BGEDHN C[C@@H](NC[C@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338658 398306130 /nfs/dbraw/zinc/30/61/30/398306130.db2.gz MYBCTNAEQCMDGB-ZYHUDNBSSA-N 0 3 244.313 3.148 20 30 BGEDHN C=CCCCCCN(C)Cc1cncn1CC ZINC000417773378 386699807 /nfs/dbraw/zinc/69/98/07/386699807.db2.gz IZYLZNWPWJSDCH-UHFFFAOYSA-N 0 3 235.375 3.081 20 30 BGEDHN CC[C@@H](NCc1ccc(C#N)o1)[C@H]1CC1(C)C ZINC000418110208 388674457 /nfs/dbraw/zinc/67/44/57/388674457.db2.gz VZKBBWINNVBLLR-CHWSQXEVSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@H](NCc1ccc(C#N)o1)[C@H]1CC1(C)C ZINC000418110218 388674901 /nfs/dbraw/zinc/67/49/01/388674901.db2.gz VZKBBWINNVBLLR-OLZOCXBDSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@@H](NCc1ccc(C#N)o1)[C@@H]1CC1(C)C ZINC000418110226 386925284 /nfs/dbraw/zinc/92/52/84/386925284.db2.gz VZKBBWINNVBLLR-QWHCGFSZSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@H](NCc1ccc(C#N)o1)[C@@H]1CC1(C)C ZINC000418110229 388675325 /nfs/dbraw/zinc/67/53/25/388675325.db2.gz VZKBBWINNVBLLR-STQMWFEESA-N 0 3 232.327 3.066 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2ccc(C#N)s2)C[C@H]1C ZINC000418124349 388675566 /nfs/dbraw/zinc/67/55/66/388675566.db2.gz HQFSKZKUEDYNDS-GMTAPVOTSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2ccc(C#N)s2)[C@H]1C ZINC000418124353 388674957 /nfs/dbraw/zinc/67/49/57/388674957.db2.gz HQFSKZKUEDYNDS-MXWKQRLJSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(C#N)s1 ZINC000418124355 387138959 /nfs/dbraw/zinc/13/89/59/387138959.db2.gz HQFSKZKUEDYNDS-OUAUKWLOSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)[C@@H](C)[C@H]1C ZINC000418124357 388674492 /nfs/dbraw/zinc/67/44/92/388674492.db2.gz HQFSKZKUEDYNDS-VWYCJHECSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H](CCNCC1(C#N)CCC1)c1ccccc1 ZINC000418135129 387157813 /nfs/dbraw/zinc/15/78/13/387157813.db2.gz AAZRFTHNKLJPGQ-AWEZNQCLSA-N 0 3 242.366 3.464 20 30 BGEDHN C[C@H](CCNCC1(C#N)CCC1)c1ccccc1 ZINC000418135133 387157604 /nfs/dbraw/zinc/15/76/04/387157604.db2.gz AAZRFTHNKLJPGQ-CQSZACIVSA-N 0 3 242.366 3.464 20 30 BGEDHN CC[C@@H](C)C[C@@H](CC)NCC1(C#N)CCC1 ZINC000418135261 387160075 /nfs/dbraw/zinc/16/00/75/387160075.db2.gz AFLMSZURARHKDO-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](C)C[C@H](CC)NCC1(C#N)CCC1 ZINC000418135264 191983965 /nfs/dbraw/zinc/98/39/65/191983965.db2.gz AFLMSZURARHKDO-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](C[C@@H](C)CC)NCC1(C#N)CCC1 ZINC000418135265 387158426 /nfs/dbraw/zinc/15/84/26/387158426.db2.gz AFLMSZURARHKDO-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](C)C[C@H](CC)NCC1(C#N)CCC1 ZINC000418135266 387159738 /nfs/dbraw/zinc/15/97/38/387159738.db2.gz AFLMSZURARHKDO-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](CNCC1(C#N)CCC1)c1ccc(F)cc1 ZINC000418135280 387161504 /nfs/dbraw/zinc/16/15/04/387161504.db2.gz AFRFTMICQQZIGR-GFCCVEGCSA-N 0 3 246.329 3.213 20 30 BGEDHN C[C@@H](CNCC1(C#N)CCC1)c1ccc(F)cc1 ZINC000418135285 387162896 /nfs/dbraw/zinc/16/28/96/387162896.db2.gz AFRFTMICQQZIGR-LBPRGKRZSA-N 0 3 246.329 3.213 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CNCC1(C#N)CCC1 ZINC000418135328 387169777 /nfs/dbraw/zinc/16/97/77/387169777.db2.gz AKVSPWBKIVNWQM-KBPBESRZSA-N 0 3 232.371 3.262 20 30 BGEDHN CC1=CCC[C@@H](C)[C@H]1CNCC1(C#N)CCC1 ZINC000418135330 387170161 /nfs/dbraw/zinc/17/01/61/387170161.db2.gz AKVSPWBKIVNWQM-KGLIPLIRSA-N 0 3 232.371 3.262 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CNCC1(C#N)CCC1 ZINC000418135331 387170286 /nfs/dbraw/zinc/17/02/86/387170286.db2.gz AKVSPWBKIVNWQM-UONOGXRCSA-N 0 3 232.371 3.262 20 30 BGEDHN CC1=CCC[C@@H](C)[C@@H]1CNCC1(C#N)CCC1 ZINC000418135332 387168937 /nfs/dbraw/zinc/16/89/37/387168937.db2.gz AKVSPWBKIVNWQM-ZIAGYGMSSA-N 0 3 232.371 3.262 20 30 BGEDHN C[C@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000418135494 387169192 /nfs/dbraw/zinc/16/91/92/387169192.db2.gz AQNONDFOJBGXBC-GFCCVEGCSA-N 0 3 246.329 3.040 20 30 BGEDHN C[C@@H](Cc1ccc(F)cc1)NCC1(C#N)CCC1 ZINC000418135495 387169516 /nfs/dbraw/zinc/16/95/16/387169516.db2.gz AQNONDFOJBGXBC-LBPRGKRZSA-N 0 3 246.329 3.040 20 30 BGEDHN CCCC[C@@H](CC)NCC1(C#N)CCC1 ZINC000418135541 387169879 /nfs/dbraw/zinc/16/98/79/387169879.db2.gz AZAZVBUPZQKVNW-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN CCCC[C@H](CC)NCC1(C#N)CCC1 ZINC000418135544 387169334 /nfs/dbraw/zinc/16/93/34/387169334.db2.gz AZAZVBUPZQKVNW-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN C[C@@H]1CCC[C@@H](CNCC2(C#N)CCC2)C1 ZINC000418135638 387169530 /nfs/dbraw/zinc/16/95/30/387169530.db2.gz BFEBPZMIHPGYLU-CHWSQXEVSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@@H]1CCC[C@H](CNCC2(C#N)CCC2)C1 ZINC000418135640 387169348 /nfs/dbraw/zinc/16/93/48/387169348.db2.gz BFEBPZMIHPGYLU-OLZOCXBDSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@H]1CCC[C@@H](CNCC2(C#N)CCC2)C1 ZINC000418135642 387169917 /nfs/dbraw/zinc/16/99/17/387169917.db2.gz BFEBPZMIHPGYLU-QWHCGFSZSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@H]1CCC[C@H](CNCC2(C#N)CCC2)C1 ZINC000418135644 387170201 /nfs/dbraw/zinc/17/02/01/387170201.db2.gz BFEBPZMIHPGYLU-STQMWFEESA-N 0 3 220.360 3.096 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCC1(C#N)CCC1 ZINC000418136123 387169094 /nfs/dbraw/zinc/16/90/94/387169094.db2.gz CBLJYVSBANCNJF-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN CC(C)=CCC[C@H](C)NCC1(C#N)CCC1 ZINC000418136128 387170999 /nfs/dbraw/zinc/17/09/99/387170999.db2.gz CBLJYVSBANCNJF-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN C[C@@H]1CC[C@H](C)[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136153 387172530 /nfs/dbraw/zinc/17/25/30/387172530.db2.gz CDIUFSLXNHSHGK-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@H](C)[C@H](NCC2(C#N)CCC2)C1 ZINC000418136156 387171663 /nfs/dbraw/zinc/17/16/63/387171663.db2.gz CDIUFSLXNHSHGK-FRRDWIJNSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@@H](C)[C@H](NCC2(C#N)CCC2)C1 ZINC000418136157 387172821 /nfs/dbraw/zinc/17/28/21/387172821.db2.gz CDIUFSLXNHSHGK-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@@H](C)[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136162 387172347 /nfs/dbraw/zinc/17/23/47/387172347.db2.gz CDIUFSLXNHSHGK-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN N#CC1(CNCC2CCCCCC2)CCC1 ZINC000418136495 387172927 /nfs/dbraw/zinc/17/29/27/387172927.db2.gz CFMUQWYAZSCEBG-UHFFFAOYSA-N 0 3 220.360 3.240 20 30 BGEDHN CC(C)[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136506 387173001 /nfs/dbraw/zinc/17/30/01/387173001.db2.gz CHTAFVAWUDFLNY-KBPBESRZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136507 387172879 /nfs/dbraw/zinc/17/28/79/387172879.db2.gz CHTAFVAWUDFLNY-KGLIPLIRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136508 191989902 /nfs/dbraw/zinc/98/99/02/191989902.db2.gz CHTAFVAWUDFLNY-UONOGXRCSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136509 387172420 /nfs/dbraw/zinc/17/24/20/387172420.db2.gz CHTAFVAWUDFLNY-ZIAGYGMSSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](CCC(F)(F)F)NCC1(C#N)CCC1 ZINC000418136643 387172263 /nfs/dbraw/zinc/17/22/63/387172263.db2.gz CVVUIBGJGKTDNB-SECBINFHSA-N 0 3 234.265 3.001 20 30 BGEDHN C[C@@H](CCC(F)(F)F)NCC1(C#N)CCC1 ZINC000418136647 387172948 /nfs/dbraw/zinc/17/29/48/387172948.db2.gz CVVUIBGJGKTDNB-VIFPVBQESA-N 0 3 234.265 3.001 20 30 BGEDHN N#CC1(CN[C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000418136651 387172238 /nfs/dbraw/zinc/17/22/38/387172238.db2.gz CWFUOJBUAZNJIP-KBPBESRZSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000418136653 387172299 /nfs/dbraw/zinc/17/22/99/387172299.db2.gz CWFUOJBUAZNJIP-KGLIPLIRSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000418136655 387171633 /nfs/dbraw/zinc/17/16/33/387171633.db2.gz CWFUOJBUAZNJIP-UONOGXRCSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000418136656 387172833 /nfs/dbraw/zinc/17/28/33/387172833.db2.gz CWFUOJBUAZNJIP-ZIAGYGMSSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000418137112 387174218 /nfs/dbraw/zinc/17/42/18/387174218.db2.gz DCVRFVIPMDHMFV-KBPBESRZSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000418137113 387174562 /nfs/dbraw/zinc/17/45/62/387174562.db2.gz DCVRFVIPMDHMFV-KGLIPLIRSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000418137114 387174600 /nfs/dbraw/zinc/17/46/00/387174600.db2.gz DCVRFVIPMDHMFV-UONOGXRCSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000418137115 387174420 /nfs/dbraw/zinc/17/44/20/387174420.db2.gz DCVRFVIPMDHMFV-ZIAGYGMSSA-N 0 3 232.371 3.239 20 30 BGEDHN C[C@@H](CCc1ccccc1)NCC1(C#N)CCC1 ZINC000418137134 387174994 /nfs/dbraw/zinc/17/49/94/387174994.db2.gz DEWUJOZTEWSHNP-AWEZNQCLSA-N 0 3 242.366 3.291 20 30 BGEDHN C[C@H](CCc1ccccc1)NCC1(C#N)CCC1 ZINC000418137135 387174906 /nfs/dbraw/zinc/17/49/06/387174906.db2.gz DEWUJOZTEWSHNP-CQSZACIVSA-N 0 3 242.366 3.291 20 30 BGEDHN CC(C)[C@H]1CCC[C@H]1NCC1(C#N)CCC1 ZINC000418137139 387175058 /nfs/dbraw/zinc/17/50/58/387175058.db2.gz DGAXUHNWRKMQKV-CHWSQXEVSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@H]1CCC[C@@H]1NCC1(C#N)CCC1 ZINC000418137141 387175025 /nfs/dbraw/zinc/17/50/25/387175025.db2.gz DGAXUHNWRKMQKV-OLZOCXBDSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CCC[C@H]1NCC1(C#N)CCC1 ZINC000418137142 387174168 /nfs/dbraw/zinc/17/41/68/387174168.db2.gz DGAXUHNWRKMQKV-QWHCGFSZSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CCC[C@@H]1NCC1(C#N)CCC1 ZINC000418137144 387175423 /nfs/dbraw/zinc/17/54/23/387175423.db2.gz DGAXUHNWRKMQKV-STQMWFEESA-N 0 3 220.360 3.095 20 30 BGEDHN CC1(C)CCC(NCC2(C#N)CCC2)CC1 ZINC000418137221 387174951 /nfs/dbraw/zinc/17/49/51/387174951.db2.gz DKWCTSKGAZGPQR-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN CC(C)C1CCC(NCC2(C#N)CCC2)CC1 ZINC000418137419 387174131 /nfs/dbraw/zinc/17/41/31/387174131.db2.gz DTNWYKIEQNXGRE-UHFFFAOYSA-N 0 3 234.387 3.485 20 30 BGEDHN CC1(C)CCC(CNCC2(C#N)CCC2)CC1 ZINC000418137503 387174387 /nfs/dbraw/zinc/17/43/87/387174387.db2.gz DXVZZHIJDHZXOC-UHFFFAOYSA-N 0 3 234.387 3.486 20 30 BGEDHN Cc1ccccc1C[C@H](C)NCC1(C#N)CCC1 ZINC000418137891 387174499 /nfs/dbraw/zinc/17/44/99/387174499.db2.gz FKLJIVJLNLIHDE-AWEZNQCLSA-N 0 3 242.366 3.210 20 30 BGEDHN Cc1ccccc1C[C@@H](C)NCC1(C#N)CCC1 ZINC000418137892 387174696 /nfs/dbraw/zinc/17/46/96/387174696.db2.gz FKLJIVJLNLIHDE-CQSZACIVSA-N 0 3 242.366 3.210 20 30 BGEDHN C[C@H](CNCC1(C#N)CCC1)Cc1ccccc1 ZINC000418138622 397988772 /nfs/dbraw/zinc/98/87/72/397988772.db2.gz GPOBDUHEGQKBCO-AWEZNQCLSA-N 0 3 242.366 3.149 20 30 BGEDHN C[C@@H](CNCC1(C#N)CCC1)Cc1ccccc1 ZINC000418138626 397988692 /nfs/dbraw/zinc/98/86/92/397988692.db2.gz GPOBDUHEGQKBCO-CQSZACIVSA-N 0 3 242.366 3.149 20 30 BGEDHN C[C@H](CCC(C)(C)C)NCC1(C#N)CCC1 ZINC000418139106 397989192 /nfs/dbraw/zinc/98/91/92/397989192.db2.gz HJSZMMUAOZNSAN-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@@H](CCC(C)(C)C)NCC1(C#N)CCC1 ZINC000418139107 397989461 /nfs/dbraw/zinc/98/94/61/397989461.db2.gz HJSZMMUAOZNSAN-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN N#CC1(CNC2CCC(C(F)F)CC2)CCC1 ZINC000418139613 397989568 /nfs/dbraw/zinc/98/95/68/397989568.db2.gz HVYZIUZZUVZZSQ-UHFFFAOYSA-N 0 3 242.313 3.094 20 30 BGEDHN CC(C)CC[C@@H](C)NCC1(C#N)CCC1 ZINC000418139663 397989483 /nfs/dbraw/zinc/98/94/83/397989483.db2.gz IEHFLSORRKYNME-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)CC[C@H](C)NCC1(C#N)CCC1 ZINC000418139664 397989352 /nfs/dbraw/zinc/98/93/52/397989352.db2.gz IEHFLSORRKYNME-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CC(C)(C)C)NCC1(C#N)CCC1 ZINC000418139666 397989524 /nfs/dbraw/zinc/98/95/24/397989524.db2.gz IEMVQVPNMZGOHF-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CC(C)(C)C)NCC1(C#N)CCC1 ZINC000418139667 397989313 /nfs/dbraw/zinc/98/93/13/397989313.db2.gz IEMVQVPNMZGOHF-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN CCC(CC)(CC)CNCC1(C#N)CCC1 ZINC000418140205 191985287 /nfs/dbraw/zinc/98/52/87/191985287.db2.gz ITBGOLMNTLWTPJ-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CNCC1(C#N)CCC1 ZINC000418140278 397989545 /nfs/dbraw/zinc/98/95/45/397989545.db2.gz JDNLSTWPHUSXKQ-CHWSQXEVSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CNCC1(C#N)CCC1 ZINC000418140279 397990039 /nfs/dbraw/zinc/99/00/39/397990039.db2.gz JDNLSTWPHUSXKQ-OLZOCXBDSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CNCC1(C#N)CCC1 ZINC000418140280 397990119 /nfs/dbraw/zinc/99/01/19/397990119.db2.gz JDNLSTWPHUSXKQ-QWHCGFSZSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@H]1CCCC[C@H]1CNCC1(C#N)CCC1 ZINC000418140281 397990104 /nfs/dbraw/zinc/99/01/04/397990104.db2.gz JDNLSTWPHUSXKQ-STQMWFEESA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@H]1C[C@@H](NCC2(C#N)CCC2)CC(C)(C)C1 ZINC000418140589 387164412 /nfs/dbraw/zinc/16/44/12/387164412.db2.gz JTQXCNPINLUQIV-QWHCGFSZSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H]1C[C@H](NCC2(C#N)CCC2)CC(C)(C)C1 ZINC000418140591 387165516 /nfs/dbraw/zinc/16/55/16/387165516.db2.gz JTQXCNPINLUQIV-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN CC[C@@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418141501 387165099 /nfs/dbraw/zinc/16/50/99/387165099.db2.gz LDUFVXNUOREVDL-HNNXBMFYSA-N 0 3 242.366 3.291 20 30 BGEDHN CC[C@H](Cc1ccccc1)NCC1(C#N)CCC1 ZINC000418141503 387165444 /nfs/dbraw/zinc/16/54/44/387165444.db2.gz LDUFVXNUOREVDL-OAHLLOKOSA-N 0 3 242.366 3.291 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2cc(C#N)cs2)C[C@H]1C ZINC000418142186 388675415 /nfs/dbraw/zinc/67/54/15/388675415.db2.gz ZDWUKLPDHMLLQE-GMTAPVOTSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2cc(C#N)cs2)[C@H]1C ZINC000418142187 388675531 /nfs/dbraw/zinc/67/55/31/388675531.db2.gz ZDWUKLPDHMLLQE-MXWKQRLJSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cc(C#N)cs1 ZINC000418142188 388675549 /nfs/dbraw/zinc/67/55/49/388675549.db2.gz ZDWUKLPDHMLLQE-OUAUKWLOSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H](C)[C@H]1C ZINC000418142438 388674444 /nfs/dbraw/zinc/67/44/44/388674444.db2.gz ZDWUKLPDHMLLQE-VWYCJHECSA-N 0 3 234.368 3.096 20 30 BGEDHN N#CC1(CNC2CC(c3ccccc3)C2)CCC1 ZINC000418142891 387164325 /nfs/dbraw/zinc/16/43/25/387164325.db2.gz NXIUPOOONUUPIP-UHFFFAOYSA-N 0 3 240.350 3.216 20 30 BGEDHN CC1(C)CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418143085 387164588 /nfs/dbraw/zinc/16/45/88/387164588.db2.gz ORVMXYRBOVTDCM-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CCC[C@H](NCC2(C#N)CCC2)C1 ZINC000418143086 387165721 /nfs/dbraw/zinc/16/57/21/387165721.db2.gz ORVMXYRBOVTDCM-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CCCC(F)(F)F)NCC1(C#N)CCC1 ZINC000418143103 387165128 /nfs/dbraw/zinc/16/51/28/387165128.db2.gz OUNUCLDDHVVBQZ-JTQLQIEISA-N 0 3 248.292 3.391 20 30 BGEDHN C[C@H](CCCC(F)(F)F)NCC1(C#N)CCC1 ZINC000418143104 387164475 /nfs/dbraw/zinc/16/44/75/387164475.db2.gz OUNUCLDDHVVBQZ-SNVBAGLBSA-N 0 3 248.292 3.391 20 30 BGEDHN C[C@H](CC1CCCC1)NCC1(C#N)CCC1 ZINC000418143504 191987196 /nfs/dbraw/zinc/98/71/96/191987196.db2.gz PUDRZPOTVUWKLX-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CC1CCCC1)NCC1(C#N)CCC1 ZINC000418143505 387168031 /nfs/dbraw/zinc/16/80/31/387168031.db2.gz PUDRZPOTVUWKLX-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](CCc1ccsc1)NCC1(C#N)CCC1 ZINC000418143749 387166467 /nfs/dbraw/zinc/16/64/67/387166467.db2.gz QVFVNQFUTLLRNM-GFCCVEGCSA-N 0 3 248.395 3.353 20 30 BGEDHN C[C@@H](CCc1ccsc1)NCC1(C#N)CCC1 ZINC000418143750 387167778 /nfs/dbraw/zinc/16/77/78/387167778.db2.gz QVFVNQFUTLLRNM-LBPRGKRZSA-N 0 3 248.395 3.353 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000418143764 387167545 /nfs/dbraw/zinc/16/75/45/387167545.db2.gz QXMBEVPLRGBJFR-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](NCC1(C#N)CCC1)C1CCCC1 ZINC000418143765 387168241 /nfs/dbraw/zinc/16/82/41/387168241.db2.gz QXMBEVPLRGBJFR-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCC(CCC)NCC1(C#N)CCC1 ZINC000418143792 387166806 /nfs/dbraw/zinc/16/68/06/387166806.db2.gz RCZRFQFKKHQDAW-UHFFFAOYSA-N 0 3 208.349 3.239 20 30 BGEDHN N#CC1(CNC[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000418143797 387166427 /nfs/dbraw/zinc/16/64/27/387166427.db2.gz REDFWIDDUWNFJL-CABCVRRESA-N 0 3 240.350 3.074 20 30 BGEDHN N#CC1(CNC[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000418143798 387166709 /nfs/dbraw/zinc/16/67/09/387166709.db2.gz REDFWIDDUWNFJL-GJZGRUSLSA-N 0 3 240.350 3.074 20 30 BGEDHN N#CC1(CNC[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000418143799 387166659 /nfs/dbraw/zinc/16/66/59/387166659.db2.gz REDFWIDDUWNFJL-HUUCEWRRSA-N 0 3 240.350 3.074 20 30 BGEDHN N#CC1(CNC[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000418143800 387167842 /nfs/dbraw/zinc/16/78/42/387167842.db2.gz REDFWIDDUWNFJL-LSDHHAIUSA-N 0 3 240.350 3.074 20 30 BGEDHN N#CC1(CN[C@@H]2CCCC23CCCC3)CCC1 ZINC000418143835 387167381 /nfs/dbraw/zinc/16/73/81/387167381.db2.gz RHTDDWSHJYNCQJ-CYBMUJFWSA-N 0 3 232.371 3.383 20 30 BGEDHN N#CC1(CN[C@H]2CCCC23CCCC3)CCC1 ZINC000418143840 387167737 /nfs/dbraw/zinc/16/77/37/387167737.db2.gz RHTDDWSHJYNCQJ-ZDUSSCGKSA-N 0 3 232.371 3.383 20 30 BGEDHN C=CCC[C@@H](CCC)NCC1(C#N)CCC1 ZINC000418144032 387166827 /nfs/dbraw/zinc/16/68/27/387166827.db2.gz SBOHGTPOZDZMKB-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCC[C@H](CCC)NCC1(C#N)CCC1 ZINC000418144033 387166940 /nfs/dbraw/zinc/16/69/40/387166940.db2.gz SBOHGTPOZDZMKB-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN CC[C@H]1CCC[C@H](CNCC2(C#N)CCC2)C1 ZINC000418144382 387166953 /nfs/dbraw/zinc/16/69/53/387166953.db2.gz TVSZPOZILMDALI-KBPBESRZSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@@H]1CCC[C@H](CNCC2(C#N)CCC2)C1 ZINC000418144383 387166841 /nfs/dbraw/zinc/16/68/41/387166841.db2.gz TVSZPOZILMDALI-KGLIPLIRSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@H]1CCC[C@@H](CNCC2(C#N)CCC2)C1 ZINC000418144385 191988684 /nfs/dbraw/zinc/98/86/84/191988684.db2.gz TVSZPOZILMDALI-UONOGXRCSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CNCC2(C#N)CCC2)C1 ZINC000418144387 387167701 /nfs/dbraw/zinc/16/77/01/387167701.db2.gz TVSZPOZILMDALI-ZIAGYGMSSA-N 0 3 234.387 3.486 20 30 BGEDHN N#CC1(CNCCc2cccc(Cl)c2)CCC1 ZINC000418144453 387167891 /nfs/dbraw/zinc/16/78/91/387167891.db2.gz UAEONWASCQRLID-UHFFFAOYSA-N 0 3 248.757 3.166 20 30 BGEDHN CC(C)(C)C1CC(NCC2(C#N)CCC2)C1 ZINC000418144507 387167093 /nfs/dbraw/zinc/16/70/93/387167093.db2.gz UHCMSPTYXCGHMQ-UHFFFAOYSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418144525 387166720 /nfs/dbraw/zinc/16/67/20/387166720.db2.gz UJNFRWIFXZIMOC-AWEZNQCLSA-N 0 3 242.366 3.464 20 30 BGEDHN CC[C@H](CNCC1(C#N)CCC1)c1ccccc1 ZINC000418144527 387167615 /nfs/dbraw/zinc/16/76/15/387167615.db2.gz UJNFRWIFXZIMOC-CQSZACIVSA-N 0 3 242.366 3.464 20 30 BGEDHN C=CCCCC[C@@H](C)NCC1(C#N)CCC1 ZINC000418144656 387167406 /nfs/dbraw/zinc/16/74/06/387167406.db2.gz ULPSWEKLHYZZIC-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCCCC[C@H](C)NCC1(C#N)CCC1 ZINC000418144657 387166782 /nfs/dbraw/zinc/16/67/82/387166782.db2.gz ULPSWEKLHYZZIC-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCC[C@@H](CC)NCC1(C#N)CCC1 ZINC000418144920 387166285 /nfs/dbraw/zinc/16/62/85/387166285.db2.gz VTSDLBSSJYFQBJ-GFCCVEGCSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCC[C@H](CC)NCC1(C#N)CCC1 ZINC000418144921 191987784 /nfs/dbraw/zinc/98/77/84/191987784.db2.gz VTSDLBSSJYFQBJ-LBPRGKRZSA-N 0 3 206.333 3.015 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCC2)C[C@@H]1C ZINC000418144931 387167764 /nfs/dbraw/zinc/16/77/64/387167764.db2.gz VWBJCSCGOHUQPA-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C[C@@H]1C ZINC000418144932 387166817 /nfs/dbraw/zinc/16/68/17/387166817.db2.gz VWBJCSCGOHUQPA-FRRDWIJNSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C[C@H]1C ZINC000418144933 387166683 /nfs/dbraw/zinc/16/66/83/387166683.db2.gz VWBJCSCGOHUQPA-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCC2)C[C@H]1C ZINC000418144934 387167599 /nfs/dbraw/zinc/16/75/99/387167599.db2.gz VWBJCSCGOHUQPA-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)CCC[C@@H](C)NCC1(C#N)CCC1 ZINC000418144943 387167686 /nfs/dbraw/zinc/16/76/86/387167686.db2.gz VYNCVMUNWBCRDT-CYBMUJFWSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)CCC[C@H](C)NCC1(C#N)CCC1 ZINC000418144944 387166905 /nfs/dbraw/zinc/16/69/05/387166905.db2.gz VYNCVMUNWBCRDT-ZDUSSCGKSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@@H](C)[C@@H](C)NCC1(C#N)CCC1 ZINC000418145063 387168372 /nfs/dbraw/zinc/16/83/72/387168372.db2.gz WPMTWDBTAJLFCR-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@@H](C)[C@H](C)NCC1(C#N)CCC1 ZINC000418145064 387167531 /nfs/dbraw/zinc/16/75/31/387167531.db2.gz WPMTWDBTAJLFCR-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)NCC1(C#N)CCC1 ZINC000418145066 387167160 /nfs/dbraw/zinc/16/71/60/387167160.db2.gz WPMTWDBTAJLFCR-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CCCC[C@H](C)[C@H](C)NCC1(C#N)CCC1 ZINC000418145067 387166639 /nfs/dbraw/zinc/16/66/39/387166639.db2.gz WPMTWDBTAJLFCR-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)C(CNCC1(C#N)CCC1)C(C)C ZINC000418145265 387166448 /nfs/dbraw/zinc/16/64/48/387166448.db2.gz WYHKIUNPUCGAMA-UHFFFAOYSA-N 0 3 222.376 3.198 20 30 BGEDHN C[C@@H]1CC(C)(C)C[C@@H]1NCC1(C#N)CCC1 ZINC000418145284 387166589 /nfs/dbraw/zinc/16/65/89/387166589.db2.gz XCBFCHGSDLXDEB-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H]1CC(C)(C)C[C@H]1NCC1(C#N)CCC1 ZINC000418145285 387166670 /nfs/dbraw/zinc/16/66/70/387166670.db2.gz XCBFCHGSDLXDEB-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H]1CC(C)(C)C[C@@H]1NCC1(C#N)CCC1 ZINC000418145286 387166767 /nfs/dbraw/zinc/16/67/67/387166767.db2.gz XCBFCHGSDLXDEB-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1CC(C)(C)C[C@H]1NCC1(C#N)CCC1 ZINC000418145287 387167958 /nfs/dbraw/zinc/16/79/58/387167958.db2.gz 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CC[C@H](NCC1(C#N)CCC1)[C@H]1CC1(C)C ZINC000419319631 192121501 /nfs/dbraw/zinc/12/15/01/192121501.db2.gz WMOXMERQGAMFEW-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCC1)[C@@H]1CC1(C)C ZINC000419319632 192121180 /nfs/dbraw/zinc/12/11/80/192121180.db2.gz WMOXMERQGAMFEW-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@H](NCC1(C#N)CCC1)[C@@H]1CC1(C)C ZINC000419319633 192120883 /nfs/dbraw/zinc/12/08/83/192120883.db2.gz WMOXMERQGAMFEW-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCC1)[C@H]1CC1(C)C ZINC000419319634 192121141 /nfs/dbraw/zinc/12/11/41/192121141.db2.gz WMOXMERQGAMFEW-VXGBXAGGSA-N 0 3 220.360 3.095 20 30 BGEDHN C=CCOCCN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419326757 192122438 /nfs/dbraw/zinc/12/24/38/192122438.db2.gz CKIGIKAFNGIOSR-CYBMUJFWSA-N 0 3 245.366 3.417 20 30 BGEDHN C=CCOCCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419326758 192122327 /nfs/dbraw/zinc/12/23/27/192122327.db2.gz CKIGIKAFNGIOSR-ZDUSSCGKSA-N 0 3 245.366 3.417 20 30 BGEDHN 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ZINC000419335057 192124334 /nfs/dbraw/zinc/12/43/34/192124334.db2.gz HGUAJLUSWYFINI-LLVKDONJSA-N 0 3 201.313 3.401 20 30 BGEDHN C=CCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419335058 192125109 /nfs/dbraw/zinc/12/51/09/192125109.db2.gz HGUAJLUSWYFINI-NSHDSACASA-N 0 3 201.313 3.401 20 30 BGEDHN CN(CC1(C#N)CC1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419340384 192125443 /nfs/dbraw/zinc/12/54/43/192125443.db2.gz WTHREUCKQHKRJL-CHWSQXEVSA-N 0 3 234.387 3.437 20 30 BGEDHN CN(CC1(C#N)CC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419340385 192126231 /nfs/dbraw/zinc/12/62/31/192126231.db2.gz WTHREUCKQHKRJL-OLZOCXBDSA-N 0 3 234.387 3.437 20 30 BGEDHN CN(CC1(C#N)CC1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419340386 192125671 /nfs/dbraw/zinc/12/56/71/192125671.db2.gz WTHREUCKQHKRJL-QWHCGFSZSA-N 0 3 234.387 3.437 20 30 BGEDHN CN(CC1(C#N)CC1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419340387 192126210 /nfs/dbraw/zinc/12/62/10/192126210.db2.gz WTHREUCKQHKRJL-STQMWFEESA-N 0 3 234.387 3.437 20 30 BGEDHN CC#CCN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419340529 192125839 /nfs/dbraw/zinc/12/58/39/192125839.db2.gz NMWHQSNMBVSTRB-GFCCVEGCSA-N 0 3 213.324 3.238 20 30 BGEDHN CC#CCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419340543 192125918 /nfs/dbraw/zinc/12/59/18/192125918.db2.gz NMWHQSNMBVSTRB-LBPRGKRZSA-N 0 3 213.324 3.238 20 30 BGEDHN C[C@@H]1CN(CC#Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000419352284 192125772 /nfs/dbraw/zinc/12/57/72/192125772.db2.gz KCMZQEOQEQOIII-ILXRZTDVSA-N 0 3 227.351 3.014 20 30 BGEDHN C[C@@H]1[C@H](C)CN(CC#Cc2ccccc2)[C@H]1C ZINC000419352285 192126204 /nfs/dbraw/zinc/12/62/04/192126204.db2.gz KCMZQEOQEQOIII-KFWWJZLASA-N 0 3 227.351 3.014 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC#Cc1ccccc1 ZINC000419352286 192126075 /nfs/dbraw/zinc/12/60/75/192126075.db2.gz KCMZQEOQEQOIII-QLFBSQMISA-N 0 3 227.351 3.014 20 30 BGEDHN C[C@H]1[C@@H](C)N(CC#Cc2ccccc2)C[C@H]1C ZINC000419352287 192126327 /nfs/dbraw/zinc/12/63/27/192126327.db2.gz KCMZQEOQEQOIII-RBSFLKMASA-N 0 3 227.351 3.014 20 30 BGEDHN C[C@H](CCC#N)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420948889 192276820 /nfs/dbraw/zinc/27/68/20/192276820.db2.gz OHLCSHFMHKOIAI-GHMZBOCLSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H](CCC#N)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948909 192276005 /nfs/dbraw/zinc/27/60/05/192276005.db2.gz OHLCSHFMHKOIAI-MNOVXSKESA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@@H](CCC#N)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948911 192276012 /nfs/dbraw/zinc/27/60/12/192276012.db2.gz OHLCSHFMHKOIAI-QWRGUYRKSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@@H](CCC#N)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420948914 192275266 /nfs/dbraw/zinc/27/52/66/192275266.db2.gz OHLCSHFMHKOIAI-WDEREUQCSA-N 0 3 248.292 3.343 20 30 BGEDHN CC#CCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420949647 192276947 /nfs/dbraw/zinc/27/69/47/192276947.db2.gz OXUNHLYHVMODTJ-LLVKDONJSA-N 0 3 233.277 3.064 20 30 BGEDHN CC#CCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949654 192276149 /nfs/dbraw/zinc/27/61/49/192276149.db2.gz OXUNHLYHVMODTJ-NSHDSACASA-N 0 3 233.277 3.064 20 30 BGEDHN C=C(C)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956032 192280514 /nfs/dbraw/zinc/28/05/14/192280514.db2.gz XMHNICFGTWDUQC-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(C)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420956034 192279805 /nfs/dbraw/zinc/27/98/05/192279805.db2.gz XMHNICFGTWDUQC-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN N#CCCCN[C@H](CC(F)F)c1ccccc1 ZINC000420984474 192290592 /nfs/dbraw/zinc/29/05/92/192290592.db2.gz GCCVMQTUNYKIHP-GFCCVEGCSA-N 0 3 238.281 3.276 20 30 BGEDHN N#CCCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420984475 192290945 /nfs/dbraw/zinc/29/09/45/192290945.db2.gz GCCVMQTUNYKIHP-LBPRGKRZSA-N 0 3 238.281 3.276 20 30 BGEDHN C=CCN[C@H](CC(F)F)c1ccccc1 ZINC000420989803 192292527 /nfs/dbraw/zinc/29/25/27/192292527.db2.gz ZDJCRTVLNNTOBL-LLVKDONJSA-N 0 3 211.255 3.159 20 30 BGEDHN C=CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420989804 192291435 /nfs/dbraw/zinc/29/14/35/192291435.db2.gz ZDJCRTVLNNTOBL-NSHDSACASA-N 0 3 211.255 3.159 20 30 BGEDHN C=CCN(C)Cc1cccc(C2CC2)c1 ZINC000421340278 192318627 /nfs/dbraw/zinc/31/86/27/192318627.db2.gz 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ZINC000421845899 192393291 /nfs/dbraw/zinc/39/32/91/192393291.db2.gz RBGBOXZJPBKMTE-ZJUUUORDSA-N 0 3 224.735 3.350 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccncc1Cl ZINC000421858393 192390173 /nfs/dbraw/zinc/39/01/73/192390173.db2.gz QOEJQZRZARCJTB-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccncc1Cl ZINC000421858394 192390204 /nfs/dbraw/zinc/39/02/04/192390204.db2.gz QOEJQZRZARCJTB-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN C=CCCCN[C@@H](C)c1ccncc1Cl ZINC000421861429 192396583 /nfs/dbraw/zinc/39/65/83/192396583.db2.gz VUQOYMHQHKKTQX-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=CCCCN[C@H](C)c1ccncc1Cl ZINC000421861431 192396215 /nfs/dbraw/zinc/39/62/15/192396215.db2.gz VUQOYMHQHKKTQX-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424116393 387559601 /nfs/dbraw/zinc/55/96/01/387559601.db2.gz BLOJJJGWACCKTE-COPLHBTASA-N 0 3 232.302 3.169 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424116396 387559522 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ZINC000424142402 387728252 /nfs/dbraw/zinc/72/82/52/387728252.db2.gz IDUGZWDCGHQTOL-SNVBAGLBSA-N 0 3 225.282 3.327 20 30 BGEDHN Cc1cc(F)c(CNCCCCC#N)c(F)c1 ZINC000424159442 387839165 /nfs/dbraw/zinc/83/91/65/387839165.db2.gz SUKVVVZHHMGCDD-UHFFFAOYSA-N 0 3 238.281 3.057 20 30 BGEDHN C=C(C)CCNCc1c(F)cc(C)cc1F ZINC000424184613 387899875 /nfs/dbraw/zinc/89/98/75/387899875.db2.gz YEUAPQWWDDEVIO-UHFFFAOYSA-N 0 3 225.282 3.329 20 30 BGEDHN Cc1cc(Cl)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424187293 387904220 /nfs/dbraw/zinc/90/42/20/387904220.db2.gz ARRVSCPLZSHAMJ-SMDDNHRTSA-N 0 3 248.757 3.430 20 30 BGEDHN CC(C)c1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424188782 200881751 /nfs/dbraw/zinc/88/17/51/200881751.db2.gz CIJCDAFKMGXDFQ-WDEREUQCSA-N 0 3 249.383 3.048 20 30 BGEDHN C=CCCCNCc1c(F)cc(C)cc1F ZINC000424188824 387911468 /nfs/dbraw/zinc/91/14/68/387911468.db2.gz KAROWVRFEMNFBD-UHFFFAOYSA-N 0 3 225.282 3.329 20 30 BGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424191378 229159404 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Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424315625 387968424 /nfs/dbraw/zinc/96/84/24/387968424.db2.gz AHQNVLCURXWGAD-GRYCIOLGSA-N 0 3 234.368 3.399 20 30 BGEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000424317335 387968179 /nfs/dbraw/zinc/96/81/79/387968179.db2.gz BXWHZDDKNROFGM-PSOPSSQASA-N 0 3 244.313 3.095 20 30 BGEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(F)ccc32)C1 ZINC000424317336 200907767 /nfs/dbraw/zinc/90/77/67/200907767.db2.gz BXWHZDDKNROFGM-ZBINZKHDSA-N 0 3 244.313 3.095 20 30 BGEDHN Cc1ccsc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424318588 387967557 /nfs/dbraw/zinc/96/75/57/387967557.db2.gz DAAGVZYYMPYOKG-GRYCIOLGSA-N 0 3 234.368 3.399 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424320155 387970188 /nfs/dbraw/zinc/97/01/88/387970188.db2.gz FPIUPAQBADTYRZ-VNHYZAJKSA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1cccc2c1CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424320820 387969885 /nfs/dbraw/zinc/96/98/85/387969885.db2.gz GPCNLSYWCFMTKY-WOSRLPQWSA-N 0 3 240.350 3.264 20 30 BGEDHN Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424320822 387970205 /nfs/dbraw/zinc/97/02/05/387970205.db2.gz GPCNLSYWCFMTKY-ZENOOKHLSA-N 0 3 240.350 3.264 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424321168 387970169 /nfs/dbraw/zinc/97/01/69/387970169.db2.gz GVWKVAVYURYBNK-JFGNBEQYSA-N 0 3 220.341 3.091 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424321642 387970268 /nfs/dbraw/zinc/97/02/68/387970268.db2.gz HIPUPFNVJAUCLS-FRRDWIJNSA-N 0 3 244.338 3.038 20 30 BGEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424322664 387972276 /nfs/dbraw/zinc/97/22/76/387972276.db2.gz IKBJTXHANXXSAO-CFVMTHIKSA-N 0 3 243.354 3.061 20 30 BGEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424322672 387972425 /nfs/dbraw/zinc/97/24/25/387972425.db2.gz IKBJTXHANXXSAO-NWANDNLSSA-N 0 3 243.354 3.061 20 30 BGEDHN COc1cccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424322884 387972478 /nfs/dbraw/zinc/97/24/78/387972478.db2.gz 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MYTUNOWDHVVPOK-YPMHNXCESA-N 0 3 217.312 3.429 20 30 BGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424327097 387973928 /nfs/dbraw/zinc/97/39/28/387973928.db2.gz MNXWIPVRXWWCPR-GMXVVIOVSA-N 0 3 234.368 3.399 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424327099 387974132 /nfs/dbraw/zinc/97/41/32/387974132.db2.gz MNXWIPVRXWWCPR-NTZNESFSSA-N 0 3 234.368 3.399 20 30 BGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000424328731 206036829 /nfs/dbraw/zinc/03/68/29/206036829.db2.gz OGRAMQWJGHJZHX-QJPTWQEYSA-N 0 3 234.368 3.481 20 30 BGEDHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424328733 206037584 /nfs/dbraw/zinc/03/75/84/206037584.db2.gz OHPLXSGFMMSLNN-BJJXKVORSA-N 0 3 240.350 3.264 20 30 BGEDHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424328734 206036953 /nfs/dbraw/zinc/03/69/53/206036953.db2.gz OHPLXSGFMMSLNN-JGGQBBKZSA-N 0 3 240.350 3.264 20 30 BGEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328756 206037253 /nfs/dbraw/zinc/03/72/53/206037253.db2.gz OLXWERSNBNROFI-GUTXKFCHSA-N 0 3 243.354 3.205 20 30 BGEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328758 206037057 /nfs/dbraw/zinc/03/70/57/206037057.db2.gz OLXWERSNBNROFI-GZBFAFLISA-N 0 3 243.354 3.205 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)oc1C ZINC000424328821 206037773 /nfs/dbraw/zinc/03/77/73/206037773.db2.gz OTLDIVTXZCDDGY-KGYLQXTDSA-N 0 3 232.327 3.239 20 30 BGEDHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)oc1C ZINC000424328822 206037152 /nfs/dbraw/zinc/03/71/52/206037152.db2.gz OTLDIVTXZCDDGY-WCFLWFBJSA-N 0 3 232.327 3.239 20 30 BGEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424329589 387975971 /nfs/dbraw/zinc/97/59/71/387975971.db2.gz POIZZWBIWKPARU-CYZMBNFOSA-N 0 3 234.368 3.481 20 30 BGEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424329591 387974996 /nfs/dbraw/zinc/97/49/96/387974996.db2.gz POIZZWBIWKPARU-UHTWSYAYSA-N 0 3 234.368 3.481 20 30 BGEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424332378 387977470 /nfs/dbraw/zinc/97/74/70/387977470.db2.gz SXSAUXQVWYZNKF-MBNYWOFBSA-N 0 3 244.338 3.038 20 30 BGEDHN Cc1nc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424333522 387977267 /nfs/dbraw/zinc/97/72/67/387977267.db2.gz ULJRLNJLMIRWEU-ADEWGFFLSA-N 0 3 249.383 3.103 20 30 BGEDHN Cc1nc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424333528 387976525 /nfs/dbraw/zinc/97/65/25/387976525.db2.gz ULJRLNJLMIRWEU-ZMLRMANQSA-N 0 3 249.383 3.103 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000424335924 387978146 /nfs/dbraw/zinc/97/81/46/387978146.db2.gz XDLASHWRMUEAAY-KGYLQXTDSA-N 0 3 232.327 3.239 20 30 BGEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424336808 387980919 /nfs/dbraw/zinc/98/09/19/387980919.db2.gz YQUASMZIPBCQRE-CFVMTHIKSA-N 0 3 243.354 3.205 20 30 BGEDHN CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424336809 387979847 /nfs/dbraw/zinc/97/98/47/387979847.db2.gz YQUASMZIPBCQRE-NWANDNLSSA-N 0 3 243.354 3.205 20 30 BGEDHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1F ZINC000424344376 388695928 /nfs/dbraw/zinc/69/59/28/388695928.db2.gz HRZZHFJPLKHLNV-FOUMNBMASA-N 0 3 244.313 3.146 20 30 BGEDHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1F ZINC000424344378 388695948 /nfs/dbraw/zinc/69/59/48/388695948.db2.gz HRZZHFJPLKHLNV-SYEHKZFSSA-N 0 3 244.313 3.146 20 30 BGEDHN CCSCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425366997 388704093 /nfs/dbraw/zinc/70/40/93/388704093.db2.gz RIDSYTQWOXGCTC-GFCCVEGCSA-N 0 3 248.395 3.304 20 30 BGEDHN CCSCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366998 388704322 /nfs/dbraw/zinc/70/43/22/388704322.db2.gz RIDSYTQWOXGCTC-LBPRGKRZSA-N 0 3 248.395 3.304 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@H](OC)C1CC1 ZINC000425379092 387032079 /nfs/dbraw/zinc/03/20/79/387032079.db2.gz ARDONAAYUHTVBX-INIZCTEOSA-N 0 3 245.366 3.100 20 30 BGEDHN C=CCN(Cc1ccccc1)C[C@@H](OC)C1CC1 ZINC000425379093 387032504 /nfs/dbraw/zinc/03/25/04/387032504.db2.gz ARDONAAYUHTVBX-MRXNPFEDSA-N 0 3 245.366 3.100 20 30 BGEDHN C=CCNC(C)(C)c1cc(Cl)ccc1OC ZINC000425513988 386287816 /nfs/dbraw/zinc/28/78/16/386287816.db2.gz PPMUNCAYIYROCJ-UHFFFAOYSA-N 0 3 239.746 3.359 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000425524322 386324376 /nfs/dbraw/zinc/32/43/76/386324376.db2.gz RDQGVZMXUXZGPW-HUUCEWRRSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H](F)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532465 388706945 /nfs/dbraw/zinc/70/69/45/388706945.db2.gz JLBYYWCREHZMFT-NEPJUHHUSA-N 0 3 234.318 3.299 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N(C)CC[C@H](C)F ZINC000425532467 388706478 /nfs/dbraw/zinc/70/64/78/388706478.db2.gz JLBYYWCREHZMFT-NWDGAFQWSA-N 0 3 234.318 3.299 20 30 BGEDHN C[C@H](F)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532470 388706935 /nfs/dbraw/zinc/70/69/35/388706935.db2.gz JLBYYWCREHZMFT-RYUDHWBXSA-N 0 3 234.318 3.299 20 30 BGEDHN C[C@@H](F)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425532472 388707179 /nfs/dbraw/zinc/70/71/79/388707179.db2.gz JLBYYWCREHZMFT-VXGBXAGGSA-N 0 3 234.318 3.299 20 30 BGEDHN CC1(c2ccccc2)CCC(NCCC#N)CC1 ZINC000425962946 387051509 /nfs/dbraw/zinc/05/15/09/387051509.db2.gz AIPJBHOTESEELY-UHFFFAOYSA-N 0 3 242.366 3.390 20 30 BGEDHN C[C@@H](CC12CC3CC(CC(C3)C1)C2)NCCC#N ZINC000425966492 711763680 /nfs/dbraw/zinc/76/36/80/711763680.db2.gz LSEVQQKCAZZXAX-AXQFOSQISA-N 0 3 246.398 3.485 20 30 BGEDHN C[C@H](CC12CC3CC(CC(C3)C1)C2)NCCC#N ZINC000425966493 711763577 /nfs/dbraw/zinc/76/35/77/711763577.db2.gz LSEVQQKCAZZXAX-DYCFOQDWSA-N 0 3 246.398 3.485 20 30 BGEDHN C=CCCN(C)Cc1ccc(OCC)c(F)c1 ZINC000425966526 387075426 /nfs/dbraw/zinc/07/54/26/387075426.db2.gz XCHGSFIUHTZQEO-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CCCN(C)Cc1scnc1C1CC1 ZINC000425966867 491130646 /nfs/dbraw/zinc/13/06/46/491130646.db2.gz YEXBADNCWRLTOG-UHFFFAOYSA-N 0 3 222.357 3.028 20 30 BGEDHN CCC[C@@H](CCc1ccccc1)NCCC#N ZINC000425981619 491119809 /nfs/dbraw/zinc/11/98/09/491119809.db2.gz RUAUYFUOSQMCAM-HNNXBMFYSA-N 0 3 230.355 3.291 20 30 BGEDHN CCC[C@H](CCc1ccccc1)NCCC#N ZINC000425981622 411167441 /nfs/dbraw/zinc/16/74/41/411167441.db2.gz RUAUYFUOSQMCAM-OAHLLOKOSA-N 0 3 230.355 3.291 20 30 BGEDHN Cc1ccc([C@H]2CCC[C@@H]2NCCC#N)cc1 ZINC000425982910 635657538 /nfs/dbraw/zinc/65/75/38/635657538.db2.gz YQCOSSMHQWRWAF-CABCVRRESA-N 0 3 228.339 3.134 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@@H]2NCCC#N)cc1 ZINC000425982911 635656621 /nfs/dbraw/zinc/65/66/21/635656621.db2.gz YQCOSSMHQWRWAF-GJZGRUSLSA-N 0 3 228.339 3.134 20 30 BGEDHN Cc1ccc([C@H]2CCC[C@H]2NCCC#N)cc1 ZINC000425982912 643901405 /nfs/dbraw/zinc/90/14/05/643901405.db2.gz YQCOSSMHQWRWAF-HUUCEWRRSA-N 0 3 228.339 3.134 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@H]2NCCC#N)cc1 ZINC000425982913 635656959 /nfs/dbraw/zinc/65/69/59/635656959.db2.gz YQCOSSMHQWRWAF-LSDHHAIUSA-N 0 3 228.339 3.134 20 30 BGEDHN N#CCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000425985632 387120825 /nfs/dbraw/zinc/12/08/25/387120825.db2.gz SDEOCYLVALNXSQ-HNNXBMFYSA-N 0 3 244.313 3.265 20 30 BGEDHN N#CCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000425985633 387121311 /nfs/dbraw/zinc/12/13/11/387121311.db2.gz SDEOCYLVALNXSQ-OAHLLOKOSA-N 0 3 244.313 3.265 20 30 BGEDHN N#CCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000425986838 387120534 /nfs/dbraw/zinc/12/05/34/387120534.db2.gz HDXPXPDLHWIHJJ-KBPBESRZSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000425986839 387120571 /nfs/dbraw/zinc/12/05/71/387120571.db2.gz HDXPXPDLHWIHJJ-KGLIPLIRSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000425986840 387120304 /nfs/dbraw/zinc/12/03/04/387120304.db2.gz HDXPXPDLHWIHJJ-UONOGXRCSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000425986841 387120848 /nfs/dbraw/zinc/12/08/48/387120848.db2.gz HDXPXPDLHWIHJJ-ZIAGYGMSSA-N 0 3 248.757 3.479 20 30 BGEDHN C[C@]1(c2ccccc2)CC[C@@H](NCCC#N)C1 ZINC000425995849 635661051 /nfs/dbraw/zinc/66/10/51/635661051.db2.gz XJPZVVAHRSOFQN-CABCVRRESA-N 0 3 228.339 3.000 20 30 BGEDHN C[C@]1(c2ccccc2)CC[C@H](NCCC#N)C1 ZINC000425995850 635661171 /nfs/dbraw/zinc/66/11/71/635661171.db2.gz XJPZVVAHRSOFQN-GJZGRUSLSA-N 0 3 228.339 3.000 20 30 BGEDHN C[C@@]1(c2ccccc2)CC[C@@H](NCCC#N)C1 ZINC000425995851 635662370 /nfs/dbraw/zinc/66/23/70/635662370.db2.gz XJPZVVAHRSOFQN-HUUCEWRRSA-N 0 3 228.339 3.000 20 30 BGEDHN C[C@@]1(c2ccccc2)CC[C@H](NCCC#N)C1 ZINC000425995852 635662868 /nfs/dbraw/zinc/66/28/68/635662868.db2.gz XJPZVVAHRSOFQN-LSDHHAIUSA-N 0 3 228.339 3.000 20 30 BGEDHN C=CCN(Cc1ccc(OCC)c(F)c1)C1CC1 ZINC000426142953 387542553 /nfs/dbraw/zinc/54/25/53/387542553.db2.gz KCYXZWMDSPLSRE-UHFFFAOYSA-N 0 3 249.329 3.375 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCC)c(F)c1 ZINC000426154542 387543122 /nfs/dbraw/zinc/54/31/22/387543122.db2.gz VPPCPKHYCZPALG-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)NCc1oc(CC)nc1C ZINC000426325003 387556713 /nfs/dbraw/zinc/55/67/13/387556713.db2.gz HMOROHKYHFYBEX-GHMZBOCLSA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCc1oc(CC)nc1C ZINC000426325004 387556059 /nfs/dbraw/zinc/55/60/59/387556059.db2.gz HMOROHKYHFYBEX-MNOVXSKESA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@H](C)[C@H](C)NCc1oc(CC)nc1C ZINC000426325006 387556859 /nfs/dbraw/zinc/55/68/59/387556859.db2.gz HMOROHKYHFYBEX-QWRGUYRKSA-N 0 3 236.359 3.236 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)NCc1oc(CC)nc1C ZINC000426325007 387554203 /nfs/dbraw/zinc/55/42/03/387554203.db2.gz HMOROHKYHFYBEX-WDEREUQCSA-N 0 3 236.359 3.236 20 30 BGEDHN C=CCC[C@@H](CC)NCc1oc(CC)nc1C ZINC000426341077 387555908 /nfs/dbraw/zinc/55/59/08/387555908.db2.gz YSHYVIMXHOVDAF-GFCCVEGCSA-N 0 3 236.359 3.380 20 30 BGEDHN C=CCC[C@H](CC)NCc1oc(CC)nc1C ZINC000426341078 387557238 /nfs/dbraw/zinc/55/72/38/387557238.db2.gz YSHYVIMXHOVDAF-LBPRGKRZSA-N 0 3 236.359 3.380 20 30 BGEDHN C=CCN(C)Cc1ccc2nc(C)sc2c1 ZINC000426353872 387558614 /nfs/dbraw/zinc/55/86/14/387558614.db2.gz RFSKXGUPEJOUSY-UHFFFAOYSA-N 0 3 232.352 3.223 20 30 BGEDHN CC#CCCNCc1ccc2nc(C)sc2c1 ZINC000426358849 387559193 /nfs/dbraw/zinc/55/91/93/387559193.db2.gz WSMKTPAWTMNIPY-UHFFFAOYSA-N 0 3 244.363 3.108 20 30 BGEDHN CC(C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000426377142 387563001 /nfs/dbraw/zinc/56/30/01/387563001.db2.gz BJHFXLHKKONJCT-UHFFFAOYSA-N 0 3 235.758 3.279 20 30 BGEDHN CCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000426387947 387563226 /nfs/dbraw/zinc/56/32/26/387563226.db2.gz DJHIBURCEQHWLG-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN C=CCN(Cc1ccccc1)CC(C)(C)COC ZINC000426397869 387564328 /nfs/dbraw/zinc/56/43/28/387564328.db2.gz VCKLYGDAICYQKI-UHFFFAOYSA-N 0 3 247.382 3.347 20 30 BGEDHN CCCN(CC)CC#Cc1ccc(Cl)cc1 ZINC000426419858 206048129 /nfs/dbraw/zinc/04/81/29/206048129.db2.gz NBUOYKOQJVKVMC-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000426429321 206046696 /nfs/dbraw/zinc/04/66/96/206046696.db2.gz XJMVXUGTUBRBCW-CHWSQXEVSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429322 206050312 /nfs/dbraw/zinc/05/03/12/206050312.db2.gz XJMVXUGTUBRBCW-OLZOCXBDSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1[C@@H](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000426429323 206052736 /nfs/dbraw/zinc/05/27/36/206052736.db2.gz XJMVXUGTUBRBCW-QWHCGFSZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429324 206053141 /nfs/dbraw/zinc/05/31/41/206053141.db2.gz XJMVXUGTUBRBCW-STQMWFEESA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)C1 ZINC000426448967 384808364 /nfs/dbraw/zinc/80/83/64/384808364.db2.gz HOLVJDMYQCWUHY-CHWSQXEVSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C1 ZINC000426448969 384805949 /nfs/dbraw/zinc/80/59/49/384805949.db2.gz HOLVJDMYQCWUHY-OLZOCXBDSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1C[C@H](C)CN1CC#Cc1ccc(Cl)cc1 ZINC000426448971 384807668 /nfs/dbraw/zinc/80/76/68/384807668.db2.gz HOLVJDMYQCWUHY-QWHCGFSZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C1 ZINC000426448972 384807695 /nfs/dbraw/zinc/80/76/95/384807695.db2.gz HOLVJDMYQCWUHY-STQMWFEESA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426464914 387571311 /nfs/dbraw/zinc/57/13/11/387571311.db2.gz ZAUHWGWIRVAEIG-BETUJISGSA-N 0 3 247.769 3.279 20 30 BGEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426464915 387572457 /nfs/dbraw/zinc/57/24/57/387572457.db2.gz ZAUHWGWIRVAEIG-CHWSQXEVSA-N 0 3 247.769 3.279 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426464916 387571870 /nfs/dbraw/zinc/57/18/70/387571870.db2.gz ZAUHWGWIRVAEIG-STQMWFEESA-N 0 3 247.769 3.279 20 30 BGEDHN CC1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000426466376 387571997 /nfs/dbraw/zinc/57/19/97/387571997.db2.gz BYWYNYJFKOYLKA-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN Fc1ccc(C#CCN2CC[C@H]3CCC[C@H]32)cc1 ZINC000426469488 387572607 /nfs/dbraw/zinc/57/26/07/387572607.db2.gz ILXFRVWHKVAXPM-GDBMZVCRSA-N 0 3 243.325 3.052 20 30 BGEDHN Fc1ccc(C#CCN2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426469518 387572048 /nfs/dbraw/zinc/57/20/48/387572048.db2.gz ILXFRVWHKVAXPM-GOEBONIOSA-N 0 3 243.325 3.052 20 30 BGEDHN Fc1ccc(C#CCN2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426469519 387571982 /nfs/dbraw/zinc/57/19/82/387571982.db2.gz ILXFRVWHKVAXPM-HOCLYGCPSA-N 0 3 243.325 3.052 20 30 BGEDHN Fc1ccc(C#CCN2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426469520 387571740 /nfs/dbraw/zinc/57/17/40/387571740.db2.gz ILXFRVWHKVAXPM-ZBFHGGJFSA-N 0 3 243.325 3.052 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc2c[nH]nc2c1 ZINC000426553475 191097722 /nfs/dbraw/zinc/09/77/22/191097722.db2.gz CSAZMLWIUXNFQH-AWEZNQCLSA-N 0 3 241.338 3.103 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc2c[nH]nc2c1 ZINC000426553476 191097097 /nfs/dbraw/zinc/09/70/97/191097097.db2.gz CSAZMLWIUXNFQH-CQSZACIVSA-N 0 3 241.338 3.103 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccccc1OC ZINC000426558156 206052409 /nfs/dbraw/zinc/05/24/09/206052409.db2.gz HRXKMDGKJTTZJQ-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccccc1OC ZINC000426558157 387580584 /nfs/dbraw/zinc/58/05/84/387580584.db2.gz HRXKMDGKJTTZJQ-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C1(C)CCCC1 ZINC000426558703 206050337 /nfs/dbraw/zinc/05/03/37/206050337.db2.gz HJKNISNUWDUDJV-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(CC)o1 ZINC000426561067 206051520 /nfs/dbraw/zinc/05/15/20/206051520.db2.gz SSZWWNBIDKXBKQ-GFCCVEGCSA-N 0 3 219.328 3.383 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(CC)o1 ZINC000426561068 206050955 /nfs/dbraw/zinc/05/09/55/206050955.db2.gz SSZWWNBIDKXBKQ-LBPRGKRZSA-N 0 3 219.328 3.383 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)CCO2 ZINC000426561321 206051898 /nfs/dbraw/zinc/05/18/98/206051898.db2.gz UYUMUDNPDAXAAE-HNNXBMFYSA-N 0 3 243.350 3.162 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)CCO2 ZINC000426561322 206051445 /nfs/dbraw/zinc/05/14/45/206051445.db2.gz UYUMUDNPDAXAAE-OAHLLOKOSA-N 0 3 243.350 3.162 20 30 BGEDHN C=C[C@@H]1CCCCN1C/C=C\c1ccncc1 ZINC000426564264 206051788 /nfs/dbraw/zinc/05/17/88/206051788.db2.gz CJPRUIHESKALKR-IYKSTZQJSA-N 0 3 228.339 3.135 20 30 BGEDHN C=C[C@@H]1CCCCN1C/C=C/c1ccncc1 ZINC000426564265 206050691 /nfs/dbraw/zinc/05/06/91/206050691.db2.gz CJPRUIHESKALKR-LLYBFZRZSA-N 0 3 228.339 3.135 20 30 BGEDHN C=C[C@H]1CCCCN1C/C=C/c1ccncc1 ZINC000426564266 206050182 /nfs/dbraw/zinc/05/01/82/206050182.db2.gz CJPRUIHESKALKR-NFAHFFEMSA-N 0 3 228.339 3.135 20 30 BGEDHN C=C[C@H]1CCCCN1C/C=C\c1ccncc1 ZINC000426564267 206052563 /nfs/dbraw/zinc/05/25/63/206052563.db2.gz CJPRUIHESKALKR-YVACAVLKSA-N 0 3 228.339 3.135 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccsc1 ZINC000426568287 206051131 /nfs/dbraw/zinc/05/11/31/206051131.db2.gz ORZAJYVUTSZCFC-GFCCVEGCSA-N 0 3 207.342 3.289 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccsc1 ZINC000426568290 206050366 /nfs/dbraw/zinc/05/03/66/206050366.db2.gz ORZAJYVUTSZCFC-LBPRGKRZSA-N 0 3 207.342 3.289 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1occc1C ZINC000426568866 191097504 /nfs/dbraw/zinc/09/75/04/191097504.db2.gz URMMJSGRISQWIG-GFCCVEGCSA-N 0 3 205.301 3.129 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1occc1C ZINC000426568867 191096716 /nfs/dbraw/zinc/09/67/16/191096716.db2.gz URMMJSGRISQWIG-LBPRGKRZSA-N 0 3 205.301 3.129 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C)o1 ZINC000426571159 191097143 /nfs/dbraw/zinc/09/71/43/191097143.db2.gz SDBMNLBXHPUZJK-GFCCVEGCSA-N 0 3 205.301 3.129 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(C)o1 ZINC000426571160 191097204 /nfs/dbraw/zinc/09/72/04/191097204.db2.gz SDBMNLBXHPUZJK-LBPRGKRZSA-N 0 3 205.301 3.129 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1sccc1OC ZINC000426581843 360526371 /nfs/dbraw/zinc/52/63/71/360526371.db2.gz WRUSYYGZPIZTEO-LLVKDONJSA-N 0 3 237.368 3.297 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1sccc1OC ZINC000426581849 360526290 /nfs/dbraw/zinc/52/62/90/360526290.db2.gz WRUSYYGZPIZTEO-NSHDSACASA-N 0 3 237.368 3.297 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427011818 191050021 /nfs/dbraw/zinc/05/00/21/191050021.db2.gz JSJANZQDRWHRII-GFCCVEGCSA-N 0 3 233.742 3.033 20 30 BGEDHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427011819 191050281 /nfs/dbraw/zinc/05/02/81/191050281.db2.gz JSJANZQDRWHRII-LBPRGKRZSA-N 0 3 233.742 3.033 20 30 BGEDHN C=CCC[C@@H](C)NCc1cc(F)ccc1OC ZINC000427864696 191097030 /nfs/dbraw/zinc/09/70/30/191097030.db2.gz LOMTXFOZPLKIEZ-LLVKDONJSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CCC[C@H](C)NCc1cc(F)ccc1OC ZINC000427864697 191097013 /nfs/dbraw/zinc/09/70/13/191097013.db2.gz LOMTXFOZPLKIEZ-NSHDSACASA-N 0 3 237.318 3.279 20 30 BGEDHN C=CC1CCN(Cc2oc(CCC)nc2C)CC1 ZINC000428214512 191099937 /nfs/dbraw/zinc/09/99/37/191099937.db2.gz ZWZIHYUWUGLBKF-UHFFFAOYSA-N 0 3 248.370 3.334 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428223295 388719433 /nfs/dbraw/zinc/71/94/33/388719433.db2.gz AMHWKCLJLLSSGP-HNNXBMFYSA-N 0 3 246.329 3.318 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428223298 388720058 /nfs/dbraw/zinc/72/00/58/388720058.db2.gz AMHWKCLJLLSSGP-OAHLLOKOSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCCCN(C)Cc1oc(CCC)nc1C ZINC000428233177 206055586 /nfs/dbraw/zinc/05/55/86/206055586.db2.gz QWTROWDZIPDUMY-UHFFFAOYSA-N 0 3 236.359 3.334 20 30 BGEDHN CC(C)N(Cc1cccc(F)c1C#N)C(C)C ZINC000428302492 201008028 /nfs/dbraw/zinc/00/80/28/201008028.db2.gz GCPHYLKBEVYDBA-UHFFFAOYSA-N 0 3 234.318 3.316 20 30 BGEDHN C[C@H](C1CCC1)N(C)Cc1cccc(F)c1C#N ZINC000428309524 201007000 /nfs/dbraw/zinc/00/70/00/201007000.db2.gz KXRRWTRUKZPZBO-LLVKDONJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H](C1CCC1)N(C)Cc1cccc(F)c1C#N ZINC000428309525 201006992 /nfs/dbraw/zinc/00/69/92/201006992.db2.gz KXRRWTRUKZPZBO-NSHDSACASA-N 0 3 246.329 3.318 20 30 BGEDHN CC[C@@H](C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000428313482 191081913 /nfs/dbraw/zinc/08/19/13/191081913.db2.gz QRMIFVMTGPZBTK-GHMZBOCLSA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@@H](C)[C@H](C)NCc1cccc(F)c1C#N ZINC000428313486 191082437 /nfs/dbraw/zinc/08/24/37/191082437.db2.gz QRMIFVMTGPZBTK-MNOVXSKESA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@H](C)[C@H](C)NCc1cccc(F)c1C#N ZINC000428313488 191082046 /nfs/dbraw/zinc/08/20/46/191082046.db2.gz QRMIFVMTGPZBTK-QWRGUYRKSA-N 0 3 234.318 3.222 20 30 BGEDHN CC[C@H](C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000428313490 191081989 /nfs/dbraw/zinc/08/19/89/191081989.db2.gz QRMIFVMTGPZBTK-WDEREUQCSA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428343052 191091192 /nfs/dbraw/zinc/09/11/92/191091192.db2.gz DOOCKJDLIOZLOV-ABAIWWIYSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428343053 191091694 /nfs/dbraw/zinc/09/16/94/191091694.db2.gz DOOCKJDLIOZLOV-IAQYHMDHSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428343054 191091342 /nfs/dbraw/zinc/09/13/42/191091342.db2.gz DOOCKJDLIOZLOV-NHYWBVRUSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H]1CCCC[C@H]1NCc1cccc(F)c1C#N ZINC000428343055 191091225 /nfs/dbraw/zinc/09/12/25/191091225.db2.gz DOOCKJDLIOZLOV-XHDPSFHLSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@@H](NCc1cccc(F)c1C#N)C1CCCC1 ZINC000428349589 201010938 /nfs/dbraw/zinc/01/09/38/201010938.db2.gz MFYIQRKKWNKYRY-LLVKDONJSA-N 0 3 246.329 3.366 20 30 BGEDHN C[C@H](NCc1cccc(F)c1C#N)C1CCCC1 ZINC000428349591 201011974 /nfs/dbraw/zinc/01/19/74/201011974.db2.gz MFYIQRKKWNKYRY-NSHDSACASA-N 0 3 246.329 3.366 20 30 BGEDHN C=CCN(C)CCc1ccc(C(C)C)cc1 ZINC000428367952 191096306 /nfs/dbraw/zinc/09/63/06/191096306.db2.gz AYCMWNLJXITCGQ-UHFFFAOYSA-N 0 3 217.356 3.470 20 30 BGEDHN C=CCN(C)Cc1cc(C)c2ncccc2c1 ZINC000428369319 201010401 /nfs/dbraw/zinc/01/04/01/201010401.db2.gz IEAMXEOCOMSRLZ-UHFFFAOYSA-N 0 3 226.323 3.161 20 30 BGEDHN CC(C)N(Cc1cccc(F)c1C#N)C1CCC1 ZINC000428369540 191097107 /nfs/dbraw/zinc/09/71/07/191097107.db2.gz JJLADJIJCHJJCA-UHFFFAOYSA-N 0 3 246.329 3.460 20 30 BGEDHN C=CCN(C)Cc1cccc(CCC)c1 ZINC000428370520 191098704 /nfs/dbraw/zinc/09/87/04/191098704.db2.gz AHQFKDLWSKXLIC-UHFFFAOYSA-N 0 3 203.329 3.257 20 30 BGEDHN C=CCN(C)C/C=C\c1ccc(F)cc1F ZINC000428372547 201011014 /nfs/dbraw/zinc/01/10/14/201011014.db2.gz LRFQLIUNABARRF-PLNGDYQASA-N 0 3 223.266 3.096 20 30 BGEDHN C=CCN(C)C/C=C/c1ccc(F)cc1F ZINC000428372549 201011049 /nfs/dbraw/zinc/01/10/49/201011049.db2.gz LRFQLIUNABARRF-SNAWJCMRSA-N 0 3 223.266 3.096 20 30 BGEDHN C=CCN(C)Cc1cccc(SCC)c1 ZINC000428373619 201010391 /nfs/dbraw/zinc/01/03/91/201010391.db2.gz LUECVKUIMXOVON-UHFFFAOYSA-N 0 3 221.369 3.416 20 30 BGEDHN C=CCN(C)Cc1cc(C)c(C)cc1C ZINC000428380493 191102394 /nfs/dbraw/zinc/10/23/94/191102394.db2.gz CXEQKYHUHOYOLU-UHFFFAOYSA-N 0 3 203.329 3.230 20 30 BGEDHN C=CCN(C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000428381642 201013224 /nfs/dbraw/zinc/01/32/24/201013224.db2.gz HHVWJPCNUZOYSY-UHFFFAOYSA-N 0 3 228.339 3.403 20 30 BGEDHN C=CCN(C)Cc1cccc(OCC(C)C)c1 ZINC000428381791 201013356 /nfs/dbraw/zinc/01/33/56/201013356.db2.gz PVUNFNLVAVVTKW-UHFFFAOYSA-N 0 3 233.355 3.339 20 30 BGEDHN C=CCN(C)Cc1ccc(OCCCC)cc1 ZINC000428384362 201012442 /nfs/dbraw/zinc/01/24/42/201012442.db2.gz TVYOCEDYHVQVAZ-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCN(C)Cc1ccc(OCC(C)C)cc1 ZINC000428386572 201013311 /nfs/dbraw/zinc/01/33/11/201013311.db2.gz SDZABJDGRUROTI-UHFFFAOYSA-N 0 3 233.355 3.339 20 30 BGEDHN C=CCN(C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000428388877 201014005 /nfs/dbraw/zinc/01/40/05/201014005.db2.gz XWUHVJIQIFGXPB-UHFFFAOYSA-N 0 3 228.339 3.403 20 30 BGEDHN C=CCN(C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000428400976 201014182 /nfs/dbraw/zinc/01/41/82/201014182.db2.gz MGQPFLBVVBSAOT-UHFFFAOYSA-N 0 3 245.366 3.408 20 30 BGEDHN CCC(C)(C)N(C)Cc1cccc(F)c1C#N ZINC000428405550 201013926 /nfs/dbraw/zinc/01/39/26/201013926.db2.gz URRABHGSAYURPP-UHFFFAOYSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@@H](N[C@H](C)CCC#N)c1c(C)noc1C ZINC000428442005 201018862 /nfs/dbraw/zinc/01/88/62/201018862.db2.gz YIVCYVHWLSBEQO-BXKDBHETSA-N 0 3 235.331 3.024 20 30 BGEDHN CC[C@H](N[C@@H](C)CCC#N)c1c(C)noc1C ZINC000428442006 201016981 /nfs/dbraw/zinc/01/69/81/201016981.db2.gz YIVCYVHWLSBEQO-CABZTGNLSA-N 0 3 235.331 3.024 20 30 BGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1c(C)noc1C ZINC000428442007 201017950 /nfs/dbraw/zinc/01/79/50/201017950.db2.gz YIVCYVHWLSBEQO-JOYOIKCWSA-N 0 3 235.331 3.024 20 30 BGEDHN CC[C@H](N[C@H](C)CCC#N)c1c(C)noc1C ZINC000428442008 201018796 /nfs/dbraw/zinc/01/87/96/201018796.db2.gz YIVCYVHWLSBEQO-SKDRFNHKSA-N 0 3 235.331 3.024 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1cccc(F)c1C#N ZINC000428446245 201017117 /nfs/dbraw/zinc/01/71/17/201017117.db2.gz IQDKEIFDEQPCQV-LLVKDONJSA-N 0 3 234.318 3.174 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1cccc(F)c1C#N ZINC000428446246 201018043 /nfs/dbraw/zinc/01/80/43/201018043.db2.gz IQDKEIFDEQPCQV-NSHDSACASA-N 0 3 234.318 3.174 20 30 BGEDHN CN(Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428451715 201018227 /nfs/dbraw/zinc/01/82/27/201018227.db2.gz DZCMUKDEILLFBZ-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CCN(Cc1cccc(F)c1C#N)CC(C)C ZINC000428459247 388720254 /nfs/dbraw/zinc/72/02/54/388720254.db2.gz YJWYMQOKWAVSOW-UHFFFAOYSA-N 0 3 234.318 3.175 20 30 BGEDHN CCCN(CCC)Cc1cccc(F)c1C#N ZINC000428462199 201020465 /nfs/dbraw/zinc/02/04/65/201020465.db2.gz KBFHVRAYTYCWAM-UHFFFAOYSA-N 0 3 234.318 3.319 20 30 BGEDHN CCN(Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428467623 388720836 /nfs/dbraw/zinc/72/08/36/388720836.db2.gz ZLCHFJKPYOLSMM-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC1(C)CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428477915 201023840 /nfs/dbraw/zinc/02/38/40/201023840.db2.gz FYDJDYRFYNGPOV-AWEZNQCLSA-N 0 3 246.329 3.366 20 30 BGEDHN CC1(C)CCC[C@H]1NCc1cccc(F)c1C#N ZINC000428477917 201025380 /nfs/dbraw/zinc/02/53/80/201025380.db2.gz FYDJDYRFYNGPOV-CQSZACIVSA-N 0 3 246.329 3.366 20 30 BGEDHN C=CCCN(C)Cc1oc(C(C)C)nc1C ZINC000428497808 201026080 /nfs/dbraw/zinc/02/60/80/201026080.db2.gz VHEDXTRWOBMYHF-UHFFFAOYSA-N 0 3 222.332 3.114 20 30 BGEDHN CC#CCCN(C)Cc1cccc(C)c1C ZINC000428715803 201037324 /nfs/dbraw/zinc/03/73/24/201037324.db2.gz HFXXCQZUKRSQSQ-UHFFFAOYSA-N 0 3 215.340 3.149 20 30 BGEDHN C=CCN1CCC(c2ccc(F)cc2C)CC1 ZINC000428738834 201040109 /nfs/dbraw/zinc/04/01/09/201040109.db2.gz GKUMSESEBMKWSF-UHFFFAOYSA-N 0 3 233.330 3.500 20 30 BGEDHN CC#CCN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428832171 201042556 /nfs/dbraw/zinc/04/25/56/201042556.db2.gz FWOYUWVMKRFVGC-AWEZNQCLSA-N 0 3 215.340 3.481 20 30 BGEDHN CC#CCN(C(C)C)[C@H](C)c1ccccc1 ZINC000428832173 201042602 /nfs/dbraw/zinc/04/26/02/201042602.db2.gz FWOYUWVMKRFVGC-CQSZACIVSA-N 0 3 215.340 3.481 20 30 BGEDHN CCN(Cc1cccc(F)c1C#N)CC1CCC1 ZINC000428954771 201051183 /nfs/dbraw/zinc/05/11/83/201051183.db2.gz SGBKSGCEHBPQCO-UHFFFAOYSA-N 0 3 246.329 3.319 20 30 BGEDHN CC[C@@H]1CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428970447 201055937 /nfs/dbraw/zinc/05/59/37/201055937.db2.gz BFMWDIKOQINVDX-ABAIWWIYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC[C@@H]1CCC[C@H]1NCc1cccc(F)c1C#N ZINC000428970448 201055017 /nfs/dbraw/zinc/05/50/17/201055017.db2.gz BFMWDIKOQINVDX-IAQYHMDHSA-N 0 3 246.329 3.366 20 30 BGEDHN CC[C@H]1CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428970449 201054108 /nfs/dbraw/zinc/05/41/08/201054108.db2.gz BFMWDIKOQINVDX-NHYWBVRUSA-N 0 3 246.329 3.366 20 30 BGEDHN CC[C@H]1CCC[C@H]1NCc1cccc(F)c1C#N ZINC000428970450 201053889 /nfs/dbraw/zinc/05/38/89/201053889.db2.gz BFMWDIKOQINVDX-XHDPSFHLSA-N 0 3 246.329 3.366 20 30 BGEDHN CN(Cc1cccc(F)c1C#N)C1(C)CCCC1 ZINC000428975270 201054222 /nfs/dbraw/zinc/05/42/22/201054222.db2.gz HEJSKBBYFSTYDQ-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CC(C)CCCN(CCC#N)CC1CC1 ZINC000429043262 201064227 /nfs/dbraw/zinc/06/42/27/201064227.db2.gz FCQLVGWRMDVKNR-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C(#Cc1ccccc1)CN(C1CCC1)C1CCC1 ZINC000429111869 201069427 /nfs/dbraw/zinc/06/94/27/201069427.db2.gz DLDFYJGUNSCWNX-UHFFFAOYSA-N 0 3 239.362 3.445 20 30 BGEDHN C=C(C)CCN1Cc2ccccc2O[C@H](C)C1 ZINC000429130287 201072001 /nfs/dbraw/zinc/07/20/01/201072001.db2.gz UQNXFGOHWIFYCV-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(C)CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429130289 201072073 /nfs/dbraw/zinc/07/20/73/201072073.db2.gz UQNXFGOHWIFYCV-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCCCN1Cc2ccccc2O[C@H](C)C1 ZINC000429169179 385355881 /nfs/dbraw/zinc/35/58/81/385355881.db2.gz SGWCXELXGUPVCX-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429169180 385355088 /nfs/dbraw/zinc/35/50/88/385355088.db2.gz SGWCXELXGUPVCX-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(CC)CN1Cc2ccccc2O[C@H](C)C1 ZINC000429181126 201078237 /nfs/dbraw/zinc/07/82/37/201078237.db2.gz LFNNJIGMCVSUDW-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C(CC)CN1Cc2ccccc2O[C@@H](C)C1 ZINC000429181127 201078825 /nfs/dbraw/zinc/07/88/25/201078825.db2.gz LFNNJIGMCVSUDW-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429243180 201082698 /nfs/dbraw/zinc/08/26/98/201082698.db2.gz CCHCGRWVBVOVHF-UHFFFAOYSA-N 0 3 248.326 3.386 20 30 BGEDHN C=C(CC)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429251835 201083739 /nfs/dbraw/zinc/08/37/39/201083739.db2.gz FBHABSMYQCJNSX-UHFFFAOYSA-N 0 3 248.326 3.386 20 30 BGEDHN CC#CCCN(C)Cc1cc(C)ccc1C ZINC000429293557 201094195 /nfs/dbraw/zinc/09/41/95/201094195.db2.gz KFKHDHBFMQDJDU-UHFFFAOYSA-N 0 3 215.340 3.149 20 30 BGEDHN C=C(CC)CN1CCc2cccc(C)c2C1 ZINC000429562793 201115915 /nfs/dbraw/zinc/11/59/15/201115915.db2.gz ASYSIHGAFNHCTR-UHFFFAOYSA-N 0 3 215.340 3.319 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000429572079 201117956 /nfs/dbraw/zinc/11/79/56/201117956.db2.gz YVVBMQQLIWLZHF-ABAIWWIYSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000429572080 201119314 /nfs/dbraw/zinc/11/93/14/201119314.db2.gz YVVBMQQLIWLZHF-IAQYHMDHSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000429572081 201117635 /nfs/dbraw/zinc/11/76/35/201117635.db2.gz YVVBMQQLIWLZHF-NHYWBVRUSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000429572082 201118418 /nfs/dbraw/zinc/11/84/18/201118418.db2.gz YVVBMQQLIWLZHF-XHDPSFHLSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000429575833 201119049 /nfs/dbraw/zinc/11/90/49/201119049.db2.gz LKIFRAAMBDENQG-GDBMZVCRSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)CC#Cc2ccccc2)C1 ZINC000429575835 201118647 /nfs/dbraw/zinc/11/86/47/201118647.db2.gz LKIFRAAMBDENQG-GOEBONIOSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000429575836 201117530 /nfs/dbraw/zinc/11/75/30/201117530.db2.gz LKIFRAAMBDENQG-HOCLYGCPSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)CC#Cc2ccccc2)C1 ZINC000429575837 201117310 /nfs/dbraw/zinc/11/73/10/201117310.db2.gz LKIFRAAMBDENQG-ZBFHGGJFSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000429576646 201119065 /nfs/dbraw/zinc/11/90/65/201119065.db2.gz NKORCBDHJUKRSW-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000429576648 201119915 /nfs/dbraw/zinc/11/99/15/201119915.db2.gz NKORCBDHJUKRSW-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000429576649 201119785 /nfs/dbraw/zinc/11/97/85/201119785.db2.gz NKORCBDHJUKRSW-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C1 ZINC000429576651 192369686 /nfs/dbraw/zinc/36/96/86/192369686.db2.gz NKORCBDHJUKRSW-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000429580566 201120032 /nfs/dbraw/zinc/12/00/32/201120032.db2.gz PPTROJXQLUMLDF-BBRMVZONSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000429580567 201119174 /nfs/dbraw/zinc/11/91/74/201119174.db2.gz PPTROJXQLUMLDF-CJNGLKHVSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000429580568 201119533 /nfs/dbraw/zinc/11/95/33/201119533.db2.gz PPTROJXQLUMLDF-CZUORRHYSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000429580569 201117510 /nfs/dbraw/zinc/11/75/10/201117510.db2.gz PPTROJXQLUMLDF-XJKSGUPXSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000429590220 201121566 /nfs/dbraw/zinc/12/15/66/201121566.db2.gz OTDHTXQKCAKFJG-DOMZBBRYSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000429590221 201122351 /nfs/dbraw/zinc/12/23/51/201122351.db2.gz OTDHTXQKCAKFJG-IUODEOHRSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)Cc2ccccc2C#N)C1 ZINC000429590222 201122737 /nfs/dbraw/zinc/12/27/37/201122737.db2.gz OTDHTXQKCAKFJG-SWLSCSKDSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@H]1CC[C@H](N(C)Cc2ccccc2C#N)C1 ZINC000429590223 201122009 /nfs/dbraw/zinc/12/20/09/201122009.db2.gz OTDHTXQKCAKFJG-WFASDCNBSA-N 0 3 228.339 3.179 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000429595815 201122117 /nfs/dbraw/zinc/12/21/17/201122117.db2.gz XHDPVYFHNSOBLM-BXUZGUMPSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000429595817 201122185 /nfs/dbraw/zinc/12/21/85/201122185.db2.gz XHDPVYFHNSOBLM-FZMZJTMJSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000429595818 201120923 /nfs/dbraw/zinc/12/09/23/201120923.db2.gz XHDPVYFHNSOBLM-RISCZKNCSA-N 0 3 246.329 3.318 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C1 ZINC000429595820 201122451 /nfs/dbraw/zinc/12/24/51/201122451.db2.gz XHDPVYFHNSOBLM-SMDDNHRTSA-N 0 3 246.329 3.318 20 30 BGEDHN N#CCC1(CN[C@H]2CCc3c2cccc3F)CC1 ZINC000429780565 584894515 /nfs/dbraw/zinc/89/45/15/584894515.db2.gz CXMWBJXGNSXHRJ-AWEZNQCLSA-N 0 3 244.313 3.096 20 30 BGEDHN N#CCC1(CN[C@@H]2CCc3c2cccc3F)CC1 ZINC000429780568 584894498 /nfs/dbraw/zinc/89/44/98/584894498.db2.gz CXMWBJXGNSXHRJ-CQSZACIVSA-N 0 3 244.313 3.096 20 30 BGEDHN N#CCC1(CN[C@H]2CCc3ccc(F)cc32)CC1 ZINC000429797897 201133639 /nfs/dbraw/zinc/13/36/39/201133639.db2.gz DUTQQDRJIKKHRL-AWEZNQCLSA-N 0 3 244.313 3.096 20 30 BGEDHN N#CCC1(CN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000429797898 201132696 /nfs/dbraw/zinc/13/26/96/201132696.db2.gz DUTQQDRJIKKHRL-CQSZACIVSA-N 0 3 244.313 3.096 20 30 BGEDHN C=C1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000429839525 201132426 /nfs/dbraw/zinc/13/24/26/201132426.db2.gz SEKMJWAEDTYUCX-CYBMUJFWSA-N 0 3 231.339 3.408 20 30 BGEDHN C=C1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000429839526 201132563 /nfs/dbraw/zinc/13/25/63/201132563.db2.gz SEKMJWAEDTYUCX-ZDUSSCGKSA-N 0 3 231.339 3.408 20 30 BGEDHN Cc1cc(C)c(CNCC2(CC#N)CC2)c(C)c1 ZINC000430001601 201138673 /nfs/dbraw/zinc/13/86/73/201138673.db2.gz DNFNGJDLOIRQOX-UHFFFAOYSA-N 0 3 242.366 3.395 20 30 BGEDHN N#CCC1(CNC/C=C/c2ccc(F)cc2)CC1 ZINC000430017844 201137858 /nfs/dbraw/zinc/13/78/58/201137858.db2.gz JPVNAMCSZSOFRP-OWOJBTEDSA-N 0 3 244.313 3.122 20 30 BGEDHN N#CCC1(CNC/C=C\c2ccc(F)cc2)CC1 ZINC000430017855 201138122 /nfs/dbraw/zinc/13/81/22/201138122.db2.gz JPVNAMCSZSOFRP-UPHRSURJSA-N 0 3 244.313 3.122 20 30 BGEDHN Cc1cccc(C)c1CNCC1(CC#N)CC1 ZINC000430019834 201138029 /nfs/dbraw/zinc/13/80/29/201138029.db2.gz NQCBJKDNKSLJEU-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN Cc1cc(CNCC2(CC#N)CC2)ccc1Cl ZINC000430020319 201137892 /nfs/dbraw/zinc/13/78/92/201137892.db2.gz OLEUXRLWPJDSLM-UHFFFAOYSA-N 0 3 248.757 3.432 20 30 BGEDHN Cc1ccc(CNCC2(CC#N)CC2)c(C)c1 ZINC000430022514 201138061 /nfs/dbraw/zinc/13/80/61/201138061.db2.gz OUGBJXXIAQDKCM-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN Cc1cc(C)cc(CNCC2(CC#N)CC2)c1 ZINC000430022957 191220886 /nfs/dbraw/zinc/22/08/86/191220886.db2.gz PTGDDSKVGFZVCG-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN Cc1cc(Cl)ccc1CNCC1(CC#N)CC1 ZINC000430036397 201138351 /nfs/dbraw/zinc/13/83/51/201138351.db2.gz PGQKPWAPKQVGRJ-UHFFFAOYSA-N 0 3 248.757 3.432 20 30 BGEDHN Cc1ccc(CNCC2(CC#N)CC2)cc1Cl ZINC000430037717 201138373 /nfs/dbraw/zinc/13/83/73/201138373.db2.gz TYPMIUXMKYJXGZ-UHFFFAOYSA-N 0 3 248.757 3.432 20 30 BGEDHN C/C(=C/c1ccccc1)CNCC1(CC#N)CC1 ZINC000430038931 201139492 /nfs/dbraw/zinc/13/94/92/201139492.db2.gz CLSHWISUSYKNJS-KAMYIIQDSA-N 0 3 240.350 3.373 20 30 BGEDHN C/C(=C\c1ccccc1)CNCC1(CC#N)CC1 ZINC000430038936 201138309 /nfs/dbraw/zinc/13/83/09/201138309.db2.gz CLSHWISUSYKNJS-SDNWHVSQSA-N 0 3 240.350 3.373 20 30 BGEDHN Cc1ccc(CNCC2(CC#N)CC2)cc1C ZINC000430045618 201140781 /nfs/dbraw/zinc/14/07/81/201140781.db2.gz YWGFEPGCRCJYJD-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN C=CCN(C)Cc1ccc2c(c1)CCCC2 ZINC000430061208 201141557 /nfs/dbraw/zinc/14/15/57/201141557.db2.gz PDSICMWQHMJVBO-UHFFFAOYSA-N 0 3 215.340 3.183 20 30 BGEDHN Cc1ccc(C)c(CNCC2(CC#N)CC2)c1 ZINC000430064063 201139695 /nfs/dbraw/zinc/13/96/95/201139695.db2.gz GGSDZJLQRGSHRM-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN N#CCC1(CNCc2coc3ccccc23)CC1 ZINC000430065516 201141528 /nfs/dbraw/zinc/14/15/28/201141528.db2.gz IFOPLSAWRMQQKQ-UHFFFAOYSA-N 0 3 240.306 3.216 20 30 BGEDHN CCCc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430065751 201141091 /nfs/dbraw/zinc/14/10/91/201141091.db2.gz IVUBAXDNTMKDGY-UHFFFAOYSA-N 0 3 242.366 3.423 20 30 BGEDHN Cc1cc(C)c(CNCC2(CC#N)CC2)cc1C ZINC000430068110 201139627 /nfs/dbraw/zinc/13/96/27/201139627.db2.gz VPYBBDIYWNTVNI-UHFFFAOYSA-N 0 3 242.366 3.395 20 30 BGEDHN N#CCC1(CNCc2cc3ccccc3o2)CC1 ZINC000430068490 201141136 /nfs/dbraw/zinc/14/11/36/201141136.db2.gz WKIPFEZCPMNBCY-UHFFFAOYSA-N 0 3 240.306 3.216 20 30 BGEDHN Cc1cccc(CNCC2(CC#N)CC2)c1C ZINC000430068540 201140649 /nfs/dbraw/zinc/14/06/49/201140649.db2.gz WRBAXUHFZRIGMN-UHFFFAOYSA-N 0 3 228.339 3.087 20 30 BGEDHN CCc1cccc(F)c1CNCC1(CC#N)CC1 ZINC000430071427 191286820 /nfs/dbraw/zinc/28/68/20/191286820.db2.gz NOLFIBKPJRMAQK-UHFFFAOYSA-N 0 3 246.329 3.172 20 30 BGEDHN CSc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430074267 201141293 /nfs/dbraw/zinc/14/12/93/201141293.db2.gz GWXRBQDEOQVFAM-UHFFFAOYSA-N 0 3 246.379 3.192 20 30 BGEDHN CC(C)c1ncc(CNCC2(CC#N)CC2)s1 ZINC000430078836 201143648 /nfs/dbraw/zinc/14/36/48/201143648.db2.gz SPLKMPPDFALYLH-UHFFFAOYSA-N 0 3 249.383 3.050 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@@H]2CC)cc1 ZINC000430192655 201152540 /nfs/dbraw/zinc/15/25/40/201152540.db2.gz CONGQOWXAWJFHR-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@H]2CC)cc1 ZINC000430192656 201152375 /nfs/dbraw/zinc/15/23/75/201152375.db2.gz CONGQOWXAWJFHR-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@@H]2CC)c1 ZINC000430195935 201151125 /nfs/dbraw/zinc/15/11/25/201151125.db2.gz POGDXXOZXAYMSI-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@H]2CC)c1 ZINC000430195936 201152798 /nfs/dbraw/zinc/15/27/98/201152798.db2.gz POGDXXOZXAYMSI-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@@H]1CC ZINC000430197612 201152730 /nfs/dbraw/zinc/15/27/30/201152730.db2.gz VRDMQNHAJHRANE-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@H]1CC ZINC000430197613 201150547 /nfs/dbraw/zinc/15/05/47/201150547.db2.gz VRDMQNHAJHRANE-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN Cc1cc(CN2CC(C)=C[C@@H](C)C2)ccc1C#N ZINC000430290827 388727339 /nfs/dbraw/zinc/72/73/39/388727339.db2.gz SEMHBMFBBOPGEC-GFCCVEGCSA-N 0 3 240.350 3.265 20 30 BGEDHN Cc1cc(CN2CC(C)=C[C@H](C)C2)ccc1C#N ZINC000430290829 388727330 /nfs/dbraw/zinc/72/73/30/388727330.db2.gz SEMHBMFBBOPGEC-LBPRGKRZSA-N 0 3 240.350 3.265 20 30 BGEDHN CCC[C@@H](NCC1(CC#N)CC1)c1ccccn1 ZINC000430726993 387645071 /nfs/dbraw/zinc/64/50/71/387645071.db2.gz XEGOQVYSIYHRQE-CYBMUJFWSA-N 0 3 243.354 3.206 20 30 BGEDHN CCC[C@H](NCC1(CC#N)CC1)c1ccccn1 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BGEDHN C[C@@H]1CC2(CCC2)CN1Cc1cc(C#N)cs1 ZINC000433023996 384924413 /nfs/dbraw/zinc/92/44/13/384924413.db2.gz AVZBIJQRUPYPDC-LLVKDONJSA-N 0 3 246.379 3.384 20 30 BGEDHN C[C@H]1CC2(CCC2)CN1Cc1cc(C#N)cs1 ZINC000433023998 384925347 /nfs/dbraw/zinc/92/53/47/384925347.db2.gz AVZBIJQRUPYPDC-NSHDSACASA-N 0 3 246.379 3.384 20 30 BGEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000433046868 384929521 /nfs/dbraw/zinc/92/95/21/384929521.db2.gz QUYNAMHCBICBAN-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000433046869 384929238 /nfs/dbraw/zinc/92/92/38/384929238.db2.gz QUYNAMHCBICBAN-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000433046870 384926814 /nfs/dbraw/zinc/92/68/14/384926814.db2.gz QUYNAMHCBICBAN-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000433046871 384926733 /nfs/dbraw/zinc/92/67/33/384926733.db2.gz QUYNAMHCBICBAN-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN 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CC#CCN(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434618712 201229338 /nfs/dbraw/zinc/22/93/38/201229338.db2.gz AKPVQFDOJCICMS-OAHLLOKOSA-N 0 3 233.330 3.478 20 30 BGEDHN C=CCN1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434735576 201235626 /nfs/dbraw/zinc/23/56/26/201235626.db2.gz CQAGEQCEGHAYCS-HNNXBMFYSA-N 0 3 215.340 3.144 20 30 BGEDHN C=CCN1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434735577 201237287 /nfs/dbraw/zinc/23/72/87/201237287.db2.gz CQAGEQCEGHAYCS-OAHLLOKOSA-N 0 3 215.340 3.144 20 30 BGEDHN C=C(CC)CN1CCC(c2ccnn2CC)CC1 ZINC000434756518 201238920 /nfs/dbraw/zinc/23/89/20/201238920.db2.gz KYBQJPXASMJVOG-UHFFFAOYSA-N 0 3 247.386 3.049 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434834224 201243941 /nfs/dbraw/zinc/24/39/41/201243941.db2.gz OPFXDNBSLTZXBU-UHFFFAOYSA-N 0 3 245.326 3.068 20 30 BGEDHN C=CCOc1ccccc1CN(CC)CCC ZINC000434985473 201248302 /nfs/dbraw/zinc/24/83/02/201248302.db2.gz IXYNZNHGDJIIKE-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCCCN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435129577 201252208 /nfs/dbraw/zinc/25/22/08/201252208.db2.gz KSSBDGLBPCVLPM-UHFFFAOYSA-N 0 3 245.326 3.068 20 30 BGEDHN C=CCOc1ccccc1CN(C)CC1CCC1 ZINC000435769141 201288179 /nfs/dbraw/zinc/28/81/79/201288179.db2.gz IIJGVOFLCRIBSJ-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN Cc1cc(CN2CCC=C(C)C2)ccc1C#N ZINC000436251331 201317939 /nfs/dbraw/zinc/31/79/39/201317939.db2.gz IFIXHRRTEFQWSZ-UHFFFAOYSA-N 0 3 226.323 3.019 20 30 BGEDHN CCC1(NCc2ccccc2C#N)CCCC1 ZINC000436858660 201339730 /nfs/dbraw/zinc/33/97/30/201339730.db2.gz UXAGFZPDDVEMHZ-UHFFFAOYSA-N 0 3 228.339 3.371 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1ccncc1OC ZINC000437099992 201344519 /nfs/dbraw/zinc/34/45/19/201344519.db2.gz SXGYHFMQLHAYNC-NEPJUHHUSA-N 0 3 234.343 3.096 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1ccncc1OC ZINC000437099993 201344761 /nfs/dbraw/zinc/34/47/61/201344761.db2.gz SXGYHFMQLHAYNC-NWDGAFQWSA-N 0 3 234.343 3.096 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1ccncc1OC ZINC000437099994 201343662 /nfs/dbraw/zinc/34/36/62/201343662.db2.gz SXGYHFMQLHAYNC-RYUDHWBXSA-N 0 3 234.343 3.096 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1ccncc1OC ZINC000437099995 201343777 /nfs/dbraw/zinc/34/37/77/201343777.db2.gz SXGYHFMQLHAYNC-VXGBXAGGSA-N 0 3 234.343 3.096 20 30 BGEDHN C=CCOc1ccc(CN2CCC=C(C)C2)cc1 ZINC000437344452 201351954 /nfs/dbraw/zinc/35/19/54/201351954.db2.gz GNRUICZPLHQIAG-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN C=CCOc1ccccc1CN1CCC=C(C)C1 ZINC000437350880 201351635 /nfs/dbraw/zinc/35/16/35/201351635.db2.gz DPHNMUDCRRPCHA-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN C=CCOc1cccc(CN2CCC=C(C)C2)c1 ZINC000437350883 201352106 /nfs/dbraw/zinc/35/21/06/201352106.db2.gz DPMSKCPKOVEBIH-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN C[C@H]1CC[C@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000437570180 201357328 /nfs/dbraw/zinc/35/73/28/201357328.db2.gz PSSYYHJYFISMJN-KBPBESRZSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000437570183 201358650 /nfs/dbraw/zinc/35/86/50/201358650.db2.gz PSSYYHJYFISMJN-KGLIPLIRSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000437570185 201357965 /nfs/dbraw/zinc/35/79/65/201357965.db2.gz PSSYYHJYFISMJN-UONOGXRCSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(CC#Cc2ccc(F)cc2)C1 ZINC000437570187 201358072 /nfs/dbraw/zinc/35/80/72/201358072.db2.gz PSSYYHJYFISMJN-ZIAGYGMSSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000437573762 201357232 /nfs/dbraw/zinc/35/72/32/201357232.db2.gz DAAZBWAOHKJACK-AWEZNQCLSA-N 0 3 245.341 3.299 20 30 BGEDHN CC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000437573763 201357427 /nfs/dbraw/zinc/35/74/27/201357427.db2.gz DAAZBWAOHKJACK-CQSZACIVSA-N 0 3 245.341 3.299 20 30 BGEDHN CC1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000437576279 201357414 /nfs/dbraw/zinc/35/74/14/201357414.db2.gz FPYJILNNILGFMW-UHFFFAOYSA-N 0 3 247.769 3.423 20 30 BGEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437577910 201357579 /nfs/dbraw/zinc/35/75/79/201357579.db2.gz KXFCXBWRVUFDGS-BETUJISGSA-N 0 3 247.769 3.279 20 30 BGEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437577913 201357850 /nfs/dbraw/zinc/35/78/50/201357850.db2.gz KXFCXBWRVUFDGS-CHWSQXEVSA-N 0 3 247.769 3.279 20 30 BGEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437577916 201356304 /nfs/dbraw/zinc/35/63/04/201356304.db2.gz KXFCXBWRVUFDGS-STQMWFEESA-N 0 3 247.769 3.279 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000437578128 201356820 /nfs/dbraw/zinc/35/68/20/201356820.db2.gz GCAGXARUCJWZKN-OKILXGFUSA-N 0 3 245.341 3.440 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000437581287 201358121 /nfs/dbraw/zinc/35/81/21/201358121.db2.gz WBXGFINNIDBYRY-CHWSQXEVSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000437581288 201357219 /nfs/dbraw/zinc/35/72/19/201357219.db2.gz WBXGFINNIDBYRY-OLZOCXBDSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1[C@@H](C)CCN1CC#Cc1cccc(Cl)c1 ZINC000437581289 201358331 /nfs/dbraw/zinc/35/83/31/201358331.db2.gz WBXGFINNIDBYRY-QWHCGFSZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000437581291 201358051 /nfs/dbraw/zinc/35/80/51/201358051.db2.gz WBXGFINNIDBYRY-STQMWFEESA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000437586517 201360941 /nfs/dbraw/zinc/36/09/41/201360941.db2.gz YHLIBKQJUAJMDG-CYBMUJFWSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000437586518 201359558 /nfs/dbraw/zinc/35/95/58/201359558.db2.gz YHLIBKQJUAJMDG-ZDUSSCGKSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000437587103 201360681 /nfs/dbraw/zinc/36/06/81/201360681.db2.gz ZVJCVVCXKMZSQD-BBRMVZONSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000437587106 201360486 /nfs/dbraw/zinc/36/04/86/201360486.db2.gz ZVJCVVCXKMZSQD-CJNGLKHVSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000437587107 201359684 /nfs/dbraw/zinc/35/96/84/201359684.db2.gz ZVJCVVCXKMZSQD-CZUORRHYSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000437587110 201361113 /nfs/dbraw/zinc/36/11/13/201361113.db2.gz ZVJCVVCXKMZSQD-XJKSGUPXSA-N 0 3 245.341 3.298 20 30 BGEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccsc1 ZINC000437789509 201374588 /nfs/dbraw/zinc/37/45/88/201374588.db2.gz WCCLZGIDQWWHCB-UHFFFAOYSA-N 0 3 247.367 3.146 20 30 BGEDHN C=C(C)CN(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437793818 201373396 /nfs/dbraw/zinc/37/33/96/201373396.db2.gz CWOZJQGFVWOJKV-UHFFFAOYSA-N 0 3 232.302 3.315 20 30 BGEDHN CC[C@@H](CC#N)NCCCCOc1ccccc1 ZINC000437978274 201380527 /nfs/dbraw/zinc/38/05/27/201380527.db2.gz VDJIBIWANNZYOL-AWEZNQCLSA-N 0 3 246.354 3.127 20 30 BGEDHN CC[C@H](CC#N)NCCCCOc1ccccc1 ZINC000437978276 201380626 /nfs/dbraw/zinc/38/06/26/201380626.db2.gz VDJIBIWANNZYOL-CQSZACIVSA-N 0 3 246.354 3.127 20 30 BGEDHN C=CCN(Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437982402 201381655 /nfs/dbraw/zinc/38/16/55/201381655.db2.gz WIMPTJYZRYKIIX-UHFFFAOYSA-N 0 3 244.313 3.457 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1C ZINC000438053231 201382859 /nfs/dbraw/zinc/38/28/59/201382859.db2.gz ASRFIASVQAASGE-KBPBESRZSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1C ZINC000438053236 201384569 /nfs/dbraw/zinc/38/45/69/201384569.db2.gz ASRFIASVQAASGE-KGLIPLIRSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1CC#Cc1ccc(F)cc1 ZINC000438053240 201384623 /nfs/dbraw/zinc/38/46/23/201384623.db2.gz ASRFIASVQAASGE-UONOGXRCSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000438053243 201384124 /nfs/dbraw/zinc/38/41/24/201384124.db2.gz ASRFIASVQAASGE-ZIAGYGMSSA-N 0 3 245.341 3.298 20 30 BGEDHN C[C@@H]1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC000438060353 201386171 /nfs/dbraw/zinc/38/61/71/201386171.db2.gz HRTXOQQDYUUCAB-CHWSQXEVSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC000438060355 201386262 /nfs/dbraw/zinc/38/62/62/201386262.db2.gz HRTXOQQDYUUCAB-OLZOCXBDSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@@H]1C[C@H](C)CN1CC#Cc1cccc(Cl)c1 ZINC000438060357 201385903 /nfs/dbraw/zinc/38/59/03/201385903.db2.gz HRTXOQQDYUUCAB-QWHCGFSZSA-N 0 3 247.769 3.422 20 30 BGEDHN C[C@H]1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C1 ZINC000438060358 201382569 /nfs/dbraw/zinc/38/25/69/201382569.db2.gz HRTXOQQDYUUCAB-STQMWFEESA-N 0 3 247.769 3.422 20 30 BGEDHN CN(CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC000438063212 201384957 /nfs/dbraw/zinc/38/49/57/201384957.db2.gz PNQLZWPCMVWYRN-UHFFFAOYSA-N 0 3 233.330 3.155 20 30 BGEDHN CCN(CC#Cc1ccc(F)cc1)C1CCC1 ZINC000438088882 201387970 /nfs/dbraw/zinc/38/79/70/201387970.db2.gz MMUJTVUDAQNICY-UHFFFAOYSA-N 0 3 231.314 3.052 20 30 BGEDHN CC(C)[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000438173985 201396711 /nfs/dbraw/zinc/39/67/11/201396711.db2.gz LJUGYUDVAMUBGJ-INIZCTEOSA-N 0 3 245.341 3.298 20 30 BGEDHN CC(C)[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000438173986 201397067 /nfs/dbraw/zinc/39/70/67/201397067.db2.gz LJUGYUDVAMUBGJ-MRXNPFEDSA-N 0 3 245.341 3.298 20 30 BGEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000438340071 387925575 /nfs/dbraw/zinc/92/55/75/387925575.db2.gz PIKPFMCWPCGPPD-GFCCVEGCSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000438340072 385972578 /nfs/dbraw/zinc/97/25/78/385972578.db2.gz PIKPFMCWPCGPPD-LBPRGKRZSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000438345171 385971345 /nfs/dbraw/zinc/97/13/45/385971345.db2.gz DZKHLXLKNDHJGR-GFCCVEGCSA-N 0 3 232.327 3.019 20 30 BGEDHN CC(C)[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000438345172 385972361 /nfs/dbraw/zinc/97/23/61/385972361.db2.gz DZKHLXLKNDHJGR-LBPRGKRZSA-N 0 3 232.327 3.019 20 30 BGEDHN CC(C)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000438349488 385971674 /nfs/dbraw/zinc/97/16/74/385971674.db2.gz YBSZXPRMXKRDJO-CYBMUJFWSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000438349489 385971838 /nfs/dbraw/zinc/97/18/38/385971838.db2.gz YBSZXPRMXKRDJO-ZDUSSCGKSA-N 0 3 248.395 3.488 20 30 BGEDHN CC1(C)CCCCN(Cc2ccc(C#N)o2)C1 ZINC000438351204 385972214 /nfs/dbraw/zinc/97/22/14/385972214.db2.gz CVCMIPAYFISRML-UHFFFAOYSA-N 0 3 232.327 3.163 20 30 BGEDHN N#Cc1ccc(CN2CCCC3(CCCC3)C2)o1 ZINC000438374755 487858905 /nfs/dbraw/zinc/85/89/05/487858905.db2.gz PRRJCYOJOPLGQW-UHFFFAOYSA-N 0 3 244.338 3.307 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000438470776 387936445 /nfs/dbraw/zinc/93/64/45/387936445.db2.gz QOCYIEJKUXOTBB-GFCCVEGCSA-N 0 3 233.742 3.033 20 30 BGEDHN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000438470778 387934169 /nfs/dbraw/zinc/93/41/69/387934169.db2.gz QOCYIEJKUXOTBB-LBPRGKRZSA-N 0 3 233.742 3.033 20 30 BGEDHN CC(C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000438485311 387937662 /nfs/dbraw/zinc/93/76/62/387937662.db2.gz CXZVGNBHANQRGI-HNNXBMFYSA-N 0 3 245.341 3.155 20 30 BGEDHN CC(C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000438485312 387936250 /nfs/dbraw/zinc/93/62/50/387936250.db2.gz CXZVGNBHANQRGI-OAHLLOKOSA-N 0 3 245.341 3.155 20 30 BGEDHN CC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000438507515 387939267 /nfs/dbraw/zinc/93/92/67/387939267.db2.gz VZTSJQGEWGGRAI-CYBMUJFWSA-N 0 3 247.769 3.423 20 30 BGEDHN CC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000438507516 387938508 /nfs/dbraw/zinc/93/85/08/387938508.db2.gz VZTSJQGEWGGRAI-ZDUSSCGKSA-N 0 3 247.769 3.423 20 30 BGEDHN CC[C@@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000438550598 387942975 /nfs/dbraw/zinc/94/29/75/387942975.db2.gz ZKCSCFHNYPMBEU-INIZCTEOSA-N 0 3 245.341 3.299 20 30 BGEDHN CC[C@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000438550600 387944372 /nfs/dbraw/zinc/94/43/72/387944372.db2.gz ZKCSCFHNYPMBEU-MRXNPFEDSA-N 0 3 245.341 3.299 20 30 BGEDHN C=CCC[C@H](NCc1ccc(F)cn1)C1CC1 ZINC000438995559 387974210 /nfs/dbraw/zinc/97/42/10/387974210.db2.gz GLSCNUUZIJRBNS-AWEZNQCLSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CCC[C@@H](NCc1ccc(F)cn1)C1CC1 ZINC000438995561 387973446 /nfs/dbraw/zinc/97/34/46/387973446.db2.gz GLSCNUUZIJRBNS-CQSZACIVSA-N 0 3 234.318 3.055 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439325914 387994386 /nfs/dbraw/zinc/99/43/86/387994386.db2.gz UPPVOTPSDMXFLJ-GDBMZVCRSA-N 0 3 227.351 3.278 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439325957 387994690 /nfs/dbraw/zinc/99/46/90/387994690.db2.gz UPPVOTPSDMXFLJ-GOEBONIOSA-N 0 3 227.351 3.278 20 30 BGEDHN CC#CCN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439325960 387993307 /nfs/dbraw/zinc/99/33/07/387993307.db2.gz UPPVOTPSDMXFLJ-HOCLYGCPSA-N 0 3 227.351 3.278 20 30 BGEDHN CC#CCN1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439325962 387994210 /nfs/dbraw/zinc/99/42/10/387994210.db2.gz UPPVOTPSDMXFLJ-ZBFHGGJFSA-N 0 3 227.351 3.278 20 30 BGEDHN C=C(C)CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544185 388054589 /nfs/dbraw/zinc/05/45/89/388054589.db2.gz ABECXGYLBPTVSZ-YCPHGPKFSA-N 0 3 249.398 3.232 20 30 BGEDHN C=CCCCCCN(C)C[C@H](F)CC ZINC000440772171 387690559 /nfs/dbraw/zinc/69/05/59/387690559.db2.gz PWQBJIKLLMIYLJ-GFCCVEGCSA-N 0 3 201.329 3.413 20 30 BGEDHN C=CCCCCCN(C)C[C@@H](F)CC ZINC000440772172 387689608 /nfs/dbraw/zinc/68/96/08/387689608.db2.gz PWQBJIKLLMIYLJ-LBPRGKRZSA-N 0 3 201.329 3.413 20 30 BGEDHN C=CCCCN1CCc2ccc(F)cc2C1 ZINC000441030465 387722798 /nfs/dbraw/zinc/72/27/98/387722798.db2.gz ODCLYCNLMYRYTF-UHFFFAOYSA-N 0 3 219.303 3.150 20 30 BGEDHN C=C(C)CN1CCc2cc(OCCC)ccc2C1 ZINC000441061030 387725477 /nfs/dbraw/zinc/72/54/77/387725477.db2.gz FMMRVYHRDNDWKA-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN C=CCCCN1CCc2cc(OCC)ccc2C1 ZINC000441068353 387724334 /nfs/dbraw/zinc/72/43/34/387724334.db2.gz RNDWUYOENJHWKB-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN C=C(C)CN1CCc2cc(OCC)ccc2C1 ZINC000441090568 206079491 /nfs/dbraw/zinc/07/94/91/206079491.db2.gz MKZQSJWDOBKCLB-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN CCCCN(C)CC#Cc1ccccc1Cl ZINC000441155213 387732315 /nfs/dbraw/zinc/73/23/15/387732315.db2.gz IXINJZFJGIVIGP-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN CCCN(CC)CC#Cc1ccccc1Cl ZINC000441165945 387731052 /nfs/dbraw/zinc/73/10/52/387731052.db2.gz IKSLZPIUUSISLI-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN CC(C)CN(C)CC#Cc1ccccc1Cl ZINC000441166058 387731926 /nfs/dbraw/zinc/73/19/26/387731926.db2.gz ITSKAPCVNZSGPQ-UHFFFAOYSA-N 0 3 235.758 3.279 20 30 BGEDHN CCN(CC#Cc1ccccc1Cl)C1CC1 ZINC000441180501 387732280 /nfs/dbraw/zinc/73/22/80/387732280.db2.gz ZAEVUZMSZKDJDM-UHFFFAOYSA-N 0 3 233.742 3.176 20 30 BGEDHN C=CCN(C)CC(C)(C)c1ccc(C)cc1 ZINC000441325942 387748352 /nfs/dbraw/zinc/74/83/52/387748352.db2.gz RCFBQFJDUMPGMK-UHFFFAOYSA-N 0 3 217.356 3.390 20 30 BGEDHN CC#CCN(C)CC(C)(C)c1ccc(C)cc1 ZINC000441341621 387748194 /nfs/dbraw/zinc/74/81/94/387748194.db2.gz VBBATHLWQNPGGC-UHFFFAOYSA-N 0 3 229.367 3.228 20 30 BGEDHN CC#CCN(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441387509 387753721 /nfs/dbraw/zinc/75/37/21/387753721.db2.gz YAQVDNIIEFETNV-INIZCTEOSA-N 0 3 229.367 3.271 20 30 BGEDHN CC#CCN(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441387512 387753779 /nfs/dbraw/zinc/75/37/79/387753779.db2.gz YAQVDNIIEFETNV-MRXNPFEDSA-N 0 3 229.367 3.271 20 30 BGEDHN CCN(CCC(C)(C)CC)C[C@H](C)C#N ZINC000441523702 387767035 /nfs/dbraw/zinc/76/70/35/387767035.db2.gz IPHDXFGOXISUEM-GFCCVEGCSA-N 0 3 210.365 3.294 20 30 BGEDHN CCN(CCC(C)(C)CC)C[C@@H](C)C#N ZINC000441523715 387767358 /nfs/dbraw/zinc/76/73/58/387767358.db2.gz IPHDXFGOXISUEM-LBPRGKRZSA-N 0 3 210.365 3.294 20 30 BGEDHN N#C[C@@H]1CC[C@@H](NCCSc2ccccc2)C1 ZINC000442643785 387811477 /nfs/dbraw/zinc/81/14/77/387811477.db2.gz GQVIQDWRWMEJMV-CHWSQXEVSA-N 0 3 246.379 3.061 20 30 BGEDHN N#C[C@@H]1CC[C@H](NCCSc2ccccc2)C1 ZINC000442643796 387812427 /nfs/dbraw/zinc/81/24/27/387812427.db2.gz GQVIQDWRWMEJMV-OLZOCXBDSA-N 0 3 246.379 3.061 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCCSc2ccccc2)C1 ZINC000442643800 387812238 /nfs/dbraw/zinc/81/22/38/387812238.db2.gz GQVIQDWRWMEJMV-QWHCGFSZSA-N 0 3 246.379 3.061 20 30 BGEDHN N#C[C@H]1CC[C@H](NCCSc2ccccc2)C1 ZINC000442643802 387811979 /nfs/dbraw/zinc/81/19/79/387811979.db2.gz GQVIQDWRWMEJMV-STQMWFEESA-N 0 3 246.379 3.061 20 30 BGEDHN CCc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442790364 387841393 /nfs/dbraw/zinc/84/13/93/387841393.db2.gz INHOJYAIUGIKFB-DOMZBBRYSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442790365 387840560 /nfs/dbraw/zinc/84/05/60/387840560.db2.gz INHOJYAIUGIKFB-IUODEOHRSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442790366 387841583 /nfs/dbraw/zinc/84/15/83/387841583.db2.gz INHOJYAIUGIKFB-SWLSCSKDSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442790367 387841969 /nfs/dbraw/zinc/84/19/69/387841969.db2.gz INHOJYAIUGIKFB-WFASDCNBSA-N 0 3 228.339 3.031 20 30 BGEDHN N#C[C@H]1CC[C@H](NCc2ccc(C3CC3)cc2)C1 ZINC000442855132 386647039 /nfs/dbraw/zinc/64/70/39/386647039.db2.gz JNJBAZCAOOQYQG-BBRMVZONSA-N 0 3 240.350 3.346 20 30 BGEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(C3CC3)cc2)C1 ZINC000442855140 386647929 /nfs/dbraw/zinc/64/79/29/386647929.db2.gz JNJBAZCAOOQYQG-CZUORRHYSA-N 0 3 240.350 3.346 20 30 BGEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C3CC3)cc2)C1 ZINC000442855142 386650091 /nfs/dbraw/zinc/65/00/91/386650091.db2.gz JNJBAZCAOOQYQG-XJKSGUPXSA-N 0 3 240.350 3.346 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@@](C)(CC)C1 ZINC000442883958 387857376 /nfs/dbraw/zinc/85/73/76/387857376.db2.gz WSWZQPLVECDICX-KBPBESRZSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@@](C)(CC)C1 ZINC000442884081 387856859 /nfs/dbraw/zinc/85/68/59/387856859.db2.gz WSWZQPLVECDICX-KGLIPLIRSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@](C)(CC)C1 ZINC000442884082 387856944 /nfs/dbraw/zinc/85/69/44/387856944.db2.gz WSWZQPLVECDICX-UONOGXRCSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@](C)(CC)C1 ZINC000442884083 387856403 /nfs/dbraw/zinc/85/64/03/387856403.db2.gz WSWZQPLVECDICX-ZIAGYGMSSA-N 0 3 225.376 3.232 20 30 BGEDHN C=C(CC)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000443335358 193017508 /nfs/dbraw/zinc/01/75/08/193017508.db2.gz SSYIDQWCQRUEKS-UHFFFAOYSA-N 0 3 237.387 3.376 20 30 BGEDHN CCN(CCC#N)C[C@H]1C(C)=CCC[C@@H]1C ZINC000443407226 193020021 /nfs/dbraw/zinc/02/00/21/193020021.db2.gz HPTPRVODPZCQBL-KBPBESRZSA-N 0 3 220.360 3.214 20 30 BGEDHN CCN(CCC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000443407227 193019271 /nfs/dbraw/zinc/01/92/71/193019271.db2.gz HPTPRVODPZCQBL-KGLIPLIRSA-N 0 3 220.360 3.214 20 30 BGEDHN CCN(CCC#N)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000443407228 193019765 /nfs/dbraw/zinc/01/97/65/193019765.db2.gz HPTPRVODPZCQBL-UONOGXRCSA-N 0 3 220.360 3.214 20 30 BGEDHN CCN(CCC#N)C[C@@H]1C(C)=CCC[C@H]1C ZINC000443407230 193019899 /nfs/dbraw/zinc/01/98/99/193019899.db2.gz HPTPRVODPZCQBL-ZIAGYGMSSA-N 0 3 220.360 3.214 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CN(C)C[C@@H](C)C#N ZINC000443417491 193020481 /nfs/dbraw/zinc/02/04/81/193020481.db2.gz NANBFTIZSWWIFY-FPMFFAJLSA-N 0 3 220.360 3.070 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CN(C)C[C@H](C)C#N ZINC000443417492 193021243 /nfs/dbraw/zinc/02/12/43/193021243.db2.gz NANBFTIZSWWIFY-KWCYVHTRSA-N 0 3 220.360 3.070 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CN(C)C[C@@H](C)C#N ZINC000443417493 193020193 /nfs/dbraw/zinc/02/01/93/193020193.db2.gz NANBFTIZSWWIFY-UBHSHLNASA-N 0 3 220.360 3.070 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CN(C)C[C@H](C)C#N ZINC000443417494 193020777 /nfs/dbraw/zinc/02/07/77/193020777.db2.gz NANBFTIZSWWIFY-XBFCOCLRSA-N 0 3 220.360 3.070 20 30 BGEDHN C=C1CCN(CCCSCC(C)C)CC1 ZINC000443615959 193026041 /nfs/dbraw/zinc/02/60/41/193026041.db2.gz LLMYCMBWSHELJW-UHFFFAOYSA-N 0 3 227.417 3.418 20 30 BGEDHN C=CCN(CC=C)CCCSCC(C)C ZINC000443622105 191109496 /nfs/dbraw/zinc/10/94/96/191109496.db2.gz JOESALUXSMAOBQ-UHFFFAOYSA-N 0 3 227.417 3.440 20 30 BGEDHN Cc1cc(CNCc2cccs2)ccc1C#N ZINC000443972055 398084799 /nfs/dbraw/zinc/08/47/99/398084799.db2.gz WBQZMVZEINXYHE-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1cc(CNCc2ccsc2)ccc1C#N ZINC000443981696 398086063 /nfs/dbraw/zinc/08/60/63/398086063.db2.gz SCEXBVYKJBZEBP-UHFFFAOYSA-N 0 3 242.347 3.218 20 30 BGEDHN Cc1cc(CNCc2ccccc2)ccc1C#N ZINC000443987871 388422539 /nfs/dbraw/zinc/42/25/39/388422539.db2.gz YHMCJKCDUKSMMG-UHFFFAOYSA-N 0 3 236.318 3.157 20 30 BGEDHN Cc1cc(CN[C@H]2C=CCCC2)ccc1C#N ZINC000444002981 193033187 /nfs/dbraw/zinc/03/31/87/193033187.db2.gz QNWUNGSFLCLVBT-HNNXBMFYSA-N 0 3 226.323 3.065 20 30 BGEDHN Cc1cc(CN[C@@H]2C=CCCC2)ccc1C#N ZINC000444002982 193033692 /nfs/dbraw/zinc/03/36/92/193033692.db2.gz QNWUNGSFLCLVBT-OAHLLOKOSA-N 0 3 226.323 3.065 20 30 BGEDHN C=C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444621062 387893363 /nfs/dbraw/zinc/89/33/63/387893363.db2.gz AZBAGSMQESZKNU-UHFFFAOYSA-N 0 3 220.360 3.358 20 30 BGEDHN C=C1CCN(CCc2ccccc2CC)CC1 ZINC000444624921 387892366 /nfs/dbraw/zinc/89/23/66/387892366.db2.gz NFAVUJOLKWBMBO-UHFFFAOYSA-N 0 3 229.367 3.444 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1N(C)CC1(C#N)CC1 ZINC000444665990 387903796 /nfs/dbraw/zinc/90/37/96/387903796.db2.gz QLBJZPRYJDIQHE-CHWSQXEVSA-N 0 3 220.360 3.191 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC1(C#N)CC1 ZINC000444666004 387902152 /nfs/dbraw/zinc/90/21/52/387902152.db2.gz QLBJZPRYJDIQHE-OLZOCXBDSA-N 0 3 220.360 3.191 20 30 BGEDHN CC[C@H]1CCCC[C@H]1N(C)CC1(C#N)CC1 ZINC000444666005 385154620 /nfs/dbraw/zinc/15/46/20/385154620.db2.gz QLBJZPRYJDIQHE-QWHCGFSZSA-N 0 3 220.360 3.191 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1N(C)CC1(C#N)CC1 ZINC000444666007 385155314 /nfs/dbraw/zinc/15/53/14/385155314.db2.gz QLBJZPRYJDIQHE-STQMWFEESA-N 0 3 220.360 3.191 20 30 BGEDHN CCN(CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000444674216 387906763 /nfs/dbraw/zinc/90/67/63/387906763.db2.gz JYECAWNKWQENBR-CHWSQXEVSA-N 0 3 220.360 3.191 20 30 BGEDHN CCN(CC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000444674218 387906772 /nfs/dbraw/zinc/90/67/72/387906772.db2.gz JYECAWNKWQENBR-OLZOCXBDSA-N 0 3 220.360 3.191 20 30 BGEDHN CCN(CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1C ZINC000444674219 387903487 /nfs/dbraw/zinc/90/34/87/387903487.db2.gz JYECAWNKWQENBR-QWHCGFSZSA-N 0 3 220.360 3.191 20 30 BGEDHN CCN(CC1(C#N)CC1)[C@H]1CCCC[C@@H]1C ZINC000444674221 387903717 /nfs/dbraw/zinc/90/37/17/387903717.db2.gz JYECAWNKWQENBR-STQMWFEESA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)(C#N)CCCCN1CC[C@@](C)(F)C1 ZINC000444676349 387903213 /nfs/dbraw/zinc/90/32/13/387903213.db2.gz UECBUZOXTLETNR-CYBMUJFWSA-N 0 3 226.339 3.140 20 30 BGEDHN CC(C)(C#N)CCCCN1CC[C@](C)(F)C1 ZINC000444676350 387903599 /nfs/dbraw/zinc/90/35/99/387903599.db2.gz UECBUZOXTLETNR-ZDUSSCGKSA-N 0 3 226.339 3.140 20 30 BGEDHN C=CCN(CCc1ccccc1CC)C1CC1 ZINC000444688293 387911666 /nfs/dbraw/zinc/91/16/66/387911666.db2.gz YPMKSPMNWFVUOL-UHFFFAOYSA-N 0 3 229.367 3.442 20 30 BGEDHN C=C(CC)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444691797 387911721 /nfs/dbraw/zinc/91/17/21/387911721.db2.gz KLAWVPIROOJYRD-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CN1CC[C@H](CC(F)(F)F)C1 ZINC000444691798 387910873 /nfs/dbraw/zinc/91/08/73/387910873.db2.gz KLAWVPIROOJYRD-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN Cc1cc(C)cc(CN(C)CCCC#N)c1 ZINC000444691836 387906552 /nfs/dbraw/zinc/90/65/52/387906552.db2.gz KODVOBASPNUZDQ-UHFFFAOYSA-N 0 3 216.328 3.039 20 30 BGEDHN CC#CCCN(C)Cc1cc(C)cc(C)c1 ZINC000444697232 387913068 /nfs/dbraw/zinc/91/30/68/387913068.db2.gz ATWPLAZDVHTLLM-UHFFFAOYSA-N 0 3 215.340 3.149 20 30 BGEDHN CN(CCCCC#N)Cc1cc(F)cc(F)c1 ZINC000444700103 387914259 /nfs/dbraw/zinc/91/42/59/387914259.db2.gz UXHBDLWQAMFAQJ-UHFFFAOYSA-N 0 3 238.281 3.090 20 30 BGEDHN C=CC[C@H]1N(CC2(C#N)CC2)CCCC1(C)C ZINC000444785391 387933423 /nfs/dbraw/zinc/93/34/23/387933423.db2.gz XYKWOWQRJBYDRK-CYBMUJFWSA-N 0 3 232.371 3.357 20 30 BGEDHN C=CC[C@@H]1N(CC2(C#N)CC2)CCCC1(C)C ZINC000444785392 387933469 /nfs/dbraw/zinc/93/34/69/387933469.db2.gz XYKWOWQRJBYDRK-ZDUSSCGKSA-N 0 3 232.371 3.357 20 30 BGEDHN N#Cc1cccc(CN2CCCC23CCC3)c1F ZINC000444787495 388558001 /nfs/dbraw/zinc/55/80/01/388558001.db2.gz RPDMLRKZJATNLA-UHFFFAOYSA-N 0 3 244.313 3.216 20 30 BGEDHN Fc1ccc(C#CCN2CCCC23CCC3)cc1 ZINC000444788404 387932958 /nfs/dbraw/zinc/93/29/58/387932958.db2.gz VBDNJBDAEHGOOG-UHFFFAOYSA-N 0 3 243.325 3.196 20 30 BGEDHN C=C(C)CN(C)Cc1ccccc1CC ZINC000445810678 387970721 /nfs/dbraw/zinc/97/07/21/387970721.db2.gz MNOTXPVPWVLMRF-UHFFFAOYSA-N 0 3 203.329 3.257 20 30 BGEDHN C=CCCC[C@@H](C)N1CCc2ncsc2C1 ZINC000446065710 387990778 /nfs/dbraw/zinc/99/07/78/387990778.db2.gz BTGUTJRXFBKPIK-LLVKDONJSA-N 0 3 236.384 3.246 20 30 BGEDHN C=CCCC[C@H](C)N1CCc2ncsc2C1 ZINC000446065711 387989898 /nfs/dbraw/zinc/98/98/98/387989898.db2.gz BTGUTJRXFBKPIK-NSHDSACASA-N 0 3 236.384 3.246 20 30 BGEDHN CC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000446731937 388036273 /nfs/dbraw/zinc/03/62/73/388036273.db2.gz MUBVUQMCRULDMG-CYBMUJFWSA-N 0 3 247.769 3.423 20 30 BGEDHN CC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000446731938 388035116 /nfs/dbraw/zinc/03/51/16/388035116.db2.gz MUBVUQMCRULDMG-ZDUSSCGKSA-N 0 3 247.769 3.423 20 30 BGEDHN C=CCN(Cc1ccc(C)c(OC)c1)C1CC1 ZINC000446758780 388037859 /nfs/dbraw/zinc/03/78/59/388037859.db2.gz LMNGNNKLFABHNL-UHFFFAOYSA-N 0 3 231.339 3.154 20 30 BGEDHN CC(C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000446760190 388036663 /nfs/dbraw/zinc/03/66/63/388036663.db2.gz RUAAHOZJKVQZHT-UHFFFAOYSA-N 0 3 235.758 3.279 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000446764909 388037849 /nfs/dbraw/zinc/03/78/49/388037849.db2.gz AMZNFGOHUDWXJT-AWEZNQCLSA-N 0 3 245.341 3.299 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000446764910 388037242 /nfs/dbraw/zinc/03/72/42/388037242.db2.gz AMZNFGOHUDWXJT-CQSZACIVSA-N 0 3 245.341 3.299 20 30 BGEDHN CC[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000446841495 388041559 /nfs/dbraw/zinc/04/15/59/388041559.db2.gz QJOKOTXBKZEIAA-HNNXBMFYSA-N 0 3 231.314 3.052 20 30 BGEDHN CC[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000446841496 388041414 /nfs/dbraw/zinc/04/14/14/388041414.db2.gz QJOKOTXBKZEIAA-OAHLLOKOSA-N 0 3 231.314 3.052 20 30 BGEDHN C=CCC[C@@H](C)NCc1ccc2c(n1)CCCC2 ZINC000446901555 388043865 /nfs/dbraw/zinc/04/38/65/388043865.db2.gz CYHMCFYIVGWNRD-CYBMUJFWSA-N 0 3 244.382 3.405 20 30 BGEDHN C=CCC[C@H](C)NCc1ccc2c(n1)CCCC2 ZINC000446901557 388043090 /nfs/dbraw/zinc/04/30/90/388043090.db2.gz CYHMCFYIVGWNRD-ZDUSSCGKSA-N 0 3 244.382 3.405 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578977 388079535 /nfs/dbraw/zinc/07/95/35/388079535.db2.gz IISKAOGSNCLIRL-HZMBPMFUSA-N 0 3 246.310 3.136 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578978 388080061 /nfs/dbraw/zinc/08/00/61/388080061.db2.gz IISKAOGSNCLIRL-IINYFYTJSA-N 0 3 246.310 3.136 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578979 388079978 /nfs/dbraw/zinc/07/99/78/388079978.db2.gz IISKAOGSNCLIRL-QMTHXVAHSA-N 0 3 246.310 3.136 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578981 388079863 /nfs/dbraw/zinc/07/98/63/388079863.db2.gz IISKAOGSNCLIRL-YGRLFVJLSA-N 0 3 246.310 3.136 20 30 BGEDHN C=CC1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000447740765 388090532 /nfs/dbraw/zinc/09/05/32/388090532.db2.gz KUXSTENPZVVJIM-UHFFFAOYSA-N 0 3 245.366 3.402 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C)c(OC)c1 ZINC000447793739 388092633 /nfs/dbraw/zinc/09/26/33/388092633.db2.gz FLANPEAEYOLZEL-UHFFFAOYSA-N 0 3 233.355 3.402 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@H](C(C)(C)C)C1 ZINC000447830033 384990198 /nfs/dbraw/zinc/99/01/98/384990198.db2.gz JRPIXZMFHIWCIQ-KBPBESRZSA-N 0 3 239.403 3.478 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@H](C(C)(C)C)C1 ZINC000447830034 384991056 /nfs/dbraw/zinc/99/10/56/384991056.db2.gz JRPIXZMFHIWCIQ-KGLIPLIRSA-N 0 3 239.403 3.478 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@@H](C(C)(C)C)C1 ZINC000447830035 384991286 /nfs/dbraw/zinc/99/12/86/384991286.db2.gz JRPIXZMFHIWCIQ-UONOGXRCSA-N 0 3 239.403 3.478 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@@H](C(C)(C)C)C1 ZINC000447830036 384991472 /nfs/dbraw/zinc/99/14/72/384991472.db2.gz JRPIXZMFHIWCIQ-ZIAGYGMSSA-N 0 3 239.403 3.478 20 30 BGEDHN CCCCN(C)CC#Cc1cccc(Cl)c1 ZINC000448196048 200708027 /nfs/dbraw/zinc/70/80/27/200708027.db2.gz HMZUFCMEIGURSU-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN C[C@H]1C[C@H](C)CN(CC#Cc2ccc(F)cc2)C1 ZINC000448520902 201161538 /nfs/dbraw/zinc/16/15/38/201161538.db2.gz OWBSELDSRGIGFO-KBPBESRZSA-N 0 3 245.341 3.155 20 30 BGEDHN C[C@@H]1C[C@H](C)CN(CC#Cc2ccc(F)cc2)C1 ZINC000448520903 201161524 /nfs/dbraw/zinc/16/15/24/201161524.db2.gz OWBSELDSRGIGFO-OKILXGFUSA-N 0 3 245.341 3.155 20 30 BGEDHN C[C@@H]1C[C@@H](C)CN(CC#Cc2ccc(F)cc2)C1 ZINC000448520904 201161173 /nfs/dbraw/zinc/16/11/73/201161173.db2.gz OWBSELDSRGIGFO-ZIAGYGMSSA-N 0 3 245.341 3.155 20 30 BGEDHN CC[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000448522475 201160779 /nfs/dbraw/zinc/16/07/79/201160779.db2.gz VRTGEBQGPRFGOU-INIZCTEOSA-N 0 3 245.341 3.442 20 30 BGEDHN CC[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000448522476 201161467 /nfs/dbraw/zinc/16/14/67/201161467.db2.gz VRTGEBQGPRFGOU-MRXNPFEDSA-N 0 3 245.341 3.442 20 30 BGEDHN C=C(C)CN(CC)Cc1csc(C)c1 ZINC000449002417 388127788 /nfs/dbraw/zinc/12/77/88/388127788.db2.gz KVQQABNAJCPCOI-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C=C(C)CN(CC)Cc1cc2cccnc2o1 ZINC000449002980 388127568 /nfs/dbraw/zinc/12/75/68/388127568.db2.gz OBHFDQXVYVOMCG-UHFFFAOYSA-N 0 3 230.311 3.226 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(F)cc(OC)c1 ZINC000449004703 388126657 /nfs/dbraw/zinc/12/66/57/388126657.db2.gz ZLBKDFHGKPJLEK-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CCCCN(C)Cc1csc(C)c1 ZINC000449026738 385422018 /nfs/dbraw/zinc/42/20/18/385422018.db2.gz GRLWSEOBLABUKI-UHFFFAOYSA-N 0 3 209.358 3.455 20 30 BGEDHN C=CCCCN(C)Cc1ccnn1C1CCCC1 ZINC000449026755 385421417 /nfs/dbraw/zinc/42/14/17/385421417.db2.gz GTPSDZSYWSKPRC-UHFFFAOYSA-N 0 3 247.386 3.396 20 30 BGEDHN C=CCCCN(C)Cc1cc(F)cc(OC)c1 ZINC000449029604 388132986 /nfs/dbraw/zinc/13/29/86/388132986.db2.gz PCOZWMNQHQYXGA-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=CC1CCN(Cc2cc(F)cc(OC)c2)CC1 ZINC000449032716 388132959 /nfs/dbraw/zinc/13/29/59/388132959.db2.gz AXAAETRFCVSQNK-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CC1CCN(Cc2csc(C)c2)CC1 ZINC000449036801 388134358 /nfs/dbraw/zinc/13/43/58/388134358.db2.gz VUJQOPGJGZFYSF-UHFFFAOYSA-N 0 3 221.369 3.455 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cccnc1OC ZINC000449074371 388139613 /nfs/dbraw/zinc/13/96/13/388139613.db2.gz KSLMTJAHIRKBHD-CYBMUJFWSA-N 0 3 248.370 3.315 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cccnc1OC ZINC000449074372 388139742 /nfs/dbraw/zinc/13/97/42/388139742.db2.gz KSLMTJAHIRKBHD-ZDUSSCGKSA-N 0 3 248.370 3.315 20 30 BGEDHN C=CC[C@@H](C)NCc1ccnn1C1CCCC1 ZINC000449146284 201821110 /nfs/dbraw/zinc/82/11/10/201821110.db2.gz BUVLZKYONVCCDW-GFCCVEGCSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CC[C@H](C)NCc1ccnn1C1CCCC1 ZINC000449146285 388148634 /nfs/dbraw/zinc/14/86/34/388148634.db2.gz BUVLZKYONVCCDW-LBPRGKRZSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1ccc(F)cn1 ZINC000449188520 388154758 /nfs/dbraw/zinc/15/47/58/388154758.db2.gz GGKDOTOPSZJDGU-GFCCVEGCSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCCCC[C@H](C)NCc1ccc(F)cn1 ZINC000449188521 388154980 /nfs/dbraw/zinc/15/49/80/388154980.db2.gz GGKDOTOPSZJDGU-LBPRGKRZSA-N 0 3 236.334 3.445 20 30 BGEDHN C=C(C)COCCNCc1cccc2ccoc21 ZINC000449189069 388154895 /nfs/dbraw/zinc/15/48/95/388154895.db2.gz OQTZBLGKUCBPTL-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=CCCOCCNCc1cccc2ccoc21 ZINC000449204299 201836749 /nfs/dbraw/zinc/83/67/49/201836749.db2.gz JNELYJHIWOKXAC-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(C)cc1OC ZINC000449222421 388159152 /nfs/dbraw/zinc/15/91/52/388159152.db2.gz CNNOUMGGOBYOQL-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cc(C)no1 ZINC000449224828 388158768 /nfs/dbraw/zinc/15/87/68/388158768.db2.gz MZSJOXSFMBDMIT-LLVKDONJSA-N 0 3 222.332 3.208 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cc(C)no1 ZINC000449224829 201841572 /nfs/dbraw/zinc/84/15/72/201841572.db2.gz MZSJOXSFMBDMIT-NSHDSACASA-N 0 3 222.332 3.208 20 30 BGEDHN CC#CCCNCc1ccccc1OCC(C)C ZINC000449229039 541456882 /nfs/dbraw/zinc/45/68/82/541456882.db2.gz XYGJBEWKOTUZMA-UHFFFAOYSA-N 0 3 245.366 3.224 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1ccon1 ZINC000449235621 388160366 /nfs/dbraw/zinc/16/03/66/388160366.db2.gz HEYWQWXCRMJLDF-NEPJUHHUSA-N 0 3 222.332 3.460 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H](C)c1ccon1 ZINC000449235622 388160438 /nfs/dbraw/zinc/16/04/38/388160438.db2.gz HEYWQWXCRMJLDF-NWDGAFQWSA-N 0 3 222.332 3.460 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H](C)c1ccon1 ZINC000449235623 388160468 /nfs/dbraw/zinc/16/04/68/388160468.db2.gz HEYWQWXCRMJLDF-RYUDHWBXSA-N 0 3 222.332 3.460 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@H](C)c1ccon1 ZINC000449235624 388160058 /nfs/dbraw/zinc/16/00/58/388160058.db2.gz HEYWQWXCRMJLDF-VXGBXAGGSA-N 0 3 222.332 3.460 20 30 BGEDHN CC(C)COc1ccccc1CNCCCC#N ZINC000449236249 388160309 /nfs/dbraw/zinc/16/03/09/388160309.db2.gz XICAFVXRKWRIBJ-UHFFFAOYSA-N 0 3 246.354 3.115 20 30 BGEDHN C=CCN(CCc1cccc(C)c1)C1CC1 ZINC000449238099 388160388 /nfs/dbraw/zinc/16/03/88/388160388.db2.gz QAYHNRMTVNLMSC-UHFFFAOYSA-N 0 3 215.340 3.188 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@H]1CCCC[C@H]1C ZINC000449241821 388160888 /nfs/dbraw/zinc/16/08/88/388160888.db2.gz UYHABPAKRHMGRC-AGIUHOORSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@@H]1CCCC[C@H]1C ZINC000449241822 201845417 /nfs/dbraw/zinc/84/54/17/201845417.db2.gz UYHABPAKRHMGRC-FRRDWIJNSA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@@H]1CCCC[C@H]1C ZINC000449241823 388160664 /nfs/dbraw/zinc/16/06/64/388160664.db2.gz UYHABPAKRHMGRC-JHJVBQTASA-N 0 3 222.376 3.341 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@H]1CCCC[C@H]1C ZINC000449241824 388160931 /nfs/dbraw/zinc/16/09/31/388160931.db2.gz UYHABPAKRHMGRC-UPJWGTAASA-N 0 3 222.376 3.341 20 30 BGEDHN C=CCCCC[C@@H](C)NCC(C)(C)C#N ZINC000449242619 388161979 /nfs/dbraw/zinc/16/19/79/388161979.db2.gz YDBWYTIFRZRWML-GFCCVEGCSA-N 0 3 208.349 3.261 20 30 BGEDHN C=CCCCC[C@H](C)NCC(C)(C)C#N ZINC000449242622 388162005 /nfs/dbraw/zinc/16/20/05/388162005.db2.gz YDBWYTIFRZRWML-LBPRGKRZSA-N 0 3 208.349 3.261 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449243936 388161843 /nfs/dbraw/zinc/16/18/43/388161843.db2.gz OIGPNJSZVBDBRQ-AAVRWANBSA-N 0 3 222.376 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449243937 388161459 /nfs/dbraw/zinc/16/14/59/388161459.db2.gz OIGPNJSZVBDBRQ-DGAVXFQQSA-N 0 3 222.376 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449243938 388161477 /nfs/dbraw/zinc/16/14/77/388161477.db2.gz OIGPNJSZVBDBRQ-REWJHTLYSA-N 0 3 222.376 3.483 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@H]1CCCC[C@H]1C ZINC000449243939 388162137 /nfs/dbraw/zinc/16/21/37/388162137.db2.gz OIGPNJSZVBDBRQ-SYQHCUMBSA-N 0 3 222.376 3.483 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@H](CC)CC#N ZINC000449244733 388161736 /nfs/dbraw/zinc/16/17/36/388161736.db2.gz VIOPUFLWKWKUMU-CHWSQXEVSA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@@H](CC)CC#N ZINC000449244734 388161927 /nfs/dbraw/zinc/16/19/27/388161927.db2.gz VIOPUFLWKWKUMU-OLZOCXBDSA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H](CC)CC#N ZINC000449244735 388161701 /nfs/dbraw/zinc/16/17/01/388161701.db2.gz VIOPUFLWKWKUMU-QWHCGFSZSA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H](CC)CC#N ZINC000449244736 388162097 /nfs/dbraw/zinc/16/20/97/388162097.db2.gz VIOPUFLWKWKUMU-STQMWFEESA-N 0 3 208.349 3.403 20 30 BGEDHN C=CCCCCNCc1ccnn1C1CCCC1 ZINC000449253090 388162284 /nfs/dbraw/zinc/16/22/84/388162284.db2.gz XIABHVMDFFPSIY-UHFFFAOYSA-N 0 3 247.386 3.444 20 30 BGEDHN C=CCCC[C@@H](C)NCc1ccncc1F ZINC000449253918 398286011 /nfs/dbraw/zinc/28/60/11/398286011.db2.gz VAHHHAKCPLWJMO-LLVKDONJSA-N 0 3 222.307 3.055 20 30 BGEDHN C=CCCC[C@H](C)NCc1ccncc1F ZINC000449253919 398285552 /nfs/dbraw/zinc/28/55/52/398285552.db2.gz VAHHHAKCPLWJMO-NSHDSACASA-N 0 3 222.307 3.055 20 30 BGEDHN C=CCN(C)Cc1cc2ccccc2c(OC)c1 ZINC000449256419 388163831 /nfs/dbraw/zinc/16/38/31/388163831.db2.gz DBPLPIUIEDQFJK-UHFFFAOYSA-N 0 3 241.334 3.466 20 30 BGEDHN C=CCN(C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449260346 388164129 /nfs/dbraw/zinc/16/41/29/388164129.db2.gz VRGWIAZXIYCZEM-JTQLQIEISA-N 0 3 225.282 3.186 20 30 BGEDHN C=CCN(C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449260347 388164260 /nfs/dbraw/zinc/16/42/60/388164260.db2.gz VRGWIAZXIYCZEM-SNVBAGLBSA-N 0 3 225.282 3.186 20 30 BGEDHN C=CCN(C)Cc1cccc2c(OC)cccc12 ZINC000449260975 397952884 /nfs/dbraw/zinc/95/28/84/397952884.db2.gz YOPOISWPIPMCLP-UHFFFAOYSA-N 0 3 241.334 3.466 20 30 BGEDHN C=CCCN(C)Cc1ccc(C)cc1OC ZINC000449267970 388164908 /nfs/dbraw/zinc/16/49/08/388164908.db2.gz CPGWENIDOIFQMM-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN C=CCCN(C)Cc1cccc(C)c1F ZINC000449271190 388165763 /nfs/dbraw/zinc/16/57/63/388165763.db2.gz RZKXBKQLEIPVRY-UHFFFAOYSA-N 0 3 207.292 3.142 20 30 BGEDHN C=CCN(CCOC)Cc1cccc2ccoc21 ZINC000449284580 388166939 /nfs/dbraw/zinc/16/69/39/388166939.db2.gz OHSRSERCJCPITA-UHFFFAOYSA-N 0 3 245.322 3.067 20 30 BGEDHN N#CCCN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449290601 388168196 /nfs/dbraw/zinc/16/81/96/388168196.db2.gz XSVQGLTWFBISHH-GXTWGEPZSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449290602 388167944 /nfs/dbraw/zinc/16/79/44/388167944.db2.gz XSVQGLTWFBISHH-JSGCOSHPSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449290603 388167921 /nfs/dbraw/zinc/16/79/21/388167921.db2.gz XSVQGLTWFBISHH-OCCSQVGLSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449290604 388167903 /nfs/dbraw/zinc/16/79/03/388167903.db2.gz XSVQGLTWFBISHH-TZMCWYRMSA-N 0 3 248.757 3.479 20 30 BGEDHN N#CCC1(CNCc2cccc3ccoc32)CC1 ZINC000449298211 388168752 /nfs/dbraw/zinc/16/87/52/388168752.db2.gz GWUXTOGPJFZPLR-UHFFFAOYSA-N 0 3 240.306 3.216 20 30 BGEDHN C=CCCCC[C@H](C)NCc1snnc1C ZINC000449336309 201871813 /nfs/dbraw/zinc/87/18/13/201871813.db2.gz MURNKANEEHHTGB-JTQLQIEISA-N 0 3 239.388 3.071 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1snnc1C ZINC000449336310 388174909 /nfs/dbraw/zinc/17/49/09/388174909.db2.gz MURNKANEEHHTGB-SNVBAGLBSA-N 0 3 239.388 3.071 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cnccc1OC ZINC000449340588 388175952 /nfs/dbraw/zinc/17/59/52/388175952.db2.gz PEHUQSNGNTXPBP-CYBMUJFWSA-N 0 3 248.370 3.315 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cnccc1OC ZINC000449340589 388176039 /nfs/dbraw/zinc/17/60/39/388176039.db2.gz PEHUQSNGNTXPBP-ZDUSSCGKSA-N 0 3 248.370 3.315 20 30 BGEDHN CC(C)(CCC#N)CN1CCC[C@@](C)(F)C1 ZINC000449351474 388178658 /nfs/dbraw/zinc/17/86/58/388178658.db2.gz PTKNGCMFMJKZCT-CYBMUJFWSA-N 0 3 226.339 3.140 20 30 BGEDHN CC(C)(CCC#N)CN1CCC[C@](C)(F)C1 ZINC000449351475 388178733 /nfs/dbraw/zinc/17/87/33/388178733.db2.gz PTKNGCMFMJKZCT-ZDUSSCGKSA-N 0 3 226.339 3.140 20 30 BGEDHN Cc1cc(CNCCC(C)(F)F)ccc1C#N ZINC000449353459 386796203 /nfs/dbraw/zinc/79/62/03/386796203.db2.gz BURLDHFCAZVCIS-UHFFFAOYSA-N 0 3 238.281 3.002 20 30 BGEDHN C=CCOc1cccc(CNC2CC(C)(F)C2)c1 ZINC000449369518 388184192 /nfs/dbraw/zinc/18/41/92/388184192.db2.gz CWVZLMXCPPLFLT-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccc(CNC2CC(C)(F)C2)cc1 ZINC000449371302 388185026 /nfs/dbraw/zinc/18/50/26/388185026.db2.gz STJLNINYEPFXQR-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CCOc1ccccc1CNC1CC(C)(F)C1 ZINC000449371593 388185508 /nfs/dbraw/zinc/18/55/08/388185508.db2.gz WQXVIOHGNNJOFZ-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000449372554 384042626 /nfs/dbraw/zinc/04/26/26/384042626.db2.gz JAKBSIAXXUOUEY-BZPMIXESSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@H]2CC[C@H](C#N)C2)cc1F ZINC000449372555 384042900 /nfs/dbraw/zinc/04/29/00/384042900.db2.gz JAKBSIAXXUOUEY-DYEKYZERSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000449372556 384042744 /nfs/dbraw/zinc/04/27/44/384042744.db2.gz JAKBSIAXXUOUEY-MBNYWOFBSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000449372557 384041692 /nfs/dbraw/zinc/04/16/92/384041692.db2.gz JAKBSIAXXUOUEY-YRGRVCCFSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc([C@@H](C)N[C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000449374204 388186217 /nfs/dbraw/zinc/18/62/17/388186217.db2.gz YBCHBVKHRLOQBL-BZPMIXESSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc([C@@H](C)N[C@H]2CC[C@H](C#N)C2)ccc1F ZINC000449374205 388186372 /nfs/dbraw/zinc/18/63/72/388186372.db2.gz YBCHBVKHRLOQBL-DYEKYZERSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000449374206 384055183 /nfs/dbraw/zinc/05/51/83/384055183.db2.gz YBCHBVKHRLOQBL-MBNYWOFBSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc([C@@H](C)N[C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000449374207 384053728 /nfs/dbraw/zinc/05/37/28/384053728.db2.gz YBCHBVKHRLOQBL-YRGRVCCFSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc(CNCC2=CCCCC2)ccc1C#N ZINC000449374730 388748449 /nfs/dbraw/zinc/74/84/49/388748449.db2.gz CFYUDLSKSUVHQB-UHFFFAOYSA-N 0 3 240.350 3.457 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000449406458 386198160 /nfs/dbraw/zinc/19/81/60/386198160.db2.gz XHQFTNUYKFNWKP-CHWSQXEVSA-N 0 3 246.354 3.457 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000449406459 388749483 /nfs/dbraw/zinc/74/94/83/388749483.db2.gz XHQFTNUYKFNWKP-OLZOCXBDSA-N 0 3 246.354 3.457 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000449406460 388749754 /nfs/dbraw/zinc/74/97/54/388749754.db2.gz XHQFTNUYKFNWKP-QWHCGFSZSA-N 0 3 246.354 3.457 20 30 BGEDHN CC[C@H]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000449406461 388749705 /nfs/dbraw/zinc/74/97/05/388749705.db2.gz XHQFTNUYKFNWKP-STQMWFEESA-N 0 3 246.354 3.457 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449423631 388201497 /nfs/dbraw/zinc/20/14/97/388201497.db2.gz IFWMDACQDCCQMH-INIZCTEOSA-N 0 3 243.350 3.236 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449423632 388202242 /nfs/dbraw/zinc/20/22/42/388202242.db2.gz IFWMDACQDCCQMH-MRXNPFEDSA-N 0 3 243.350 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@H]1C1CC1 ZINC000449427676 388202510 /nfs/dbraw/zinc/20/25/10/388202510.db2.gz SJQHHNPCOTUYPA-HNNXBMFYSA-N 0 3 243.350 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@@H]1C1CC1 ZINC000449427677 388202716 /nfs/dbraw/zinc/20/27/16/388202716.db2.gz SJQHHNPCOTUYPA-OAHLLOKOSA-N 0 3 243.350 3.236 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449430055 388204267 /nfs/dbraw/zinc/20/42/67/388204267.db2.gz YYAWDHCUILCLRB-INIZCTEOSA-N 0 3 243.350 3.236 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449430056 201919284 /nfs/dbraw/zinc/91/92/84/201919284.db2.gz YYAWDHCUILCLRB-MRXNPFEDSA-N 0 3 243.350 3.236 20 30 BGEDHN CC[C@@H]1CCC[C@H]1CNCc1ccc(C#N)o1 ZINC000449433868 388749638 /nfs/dbraw/zinc/74/96/38/388749638.db2.gz OECVWYINSZUWDL-NEPJUHHUSA-N 0 3 232.327 3.067 20 30 BGEDHN CC[C@H]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000449433869 388749887 /nfs/dbraw/zinc/74/98/87/388749887.db2.gz OECVWYINSZUWDL-NWDGAFQWSA-N 0 3 232.327 3.067 20 30 BGEDHN CC[C@H]1CCC[C@H]1CNCc1ccc(C#N)o1 ZINC000449433870 388748793 /nfs/dbraw/zinc/74/87/93/388748793.db2.gz OECVWYINSZUWDL-RYUDHWBXSA-N 0 3 232.327 3.067 20 30 BGEDHN CC[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000449433871 388750050 /nfs/dbraw/zinc/75/00/50/388750050.db2.gz OECVWYINSZUWDL-VXGBXAGGSA-N 0 3 232.327 3.067 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000449440940 388749356 /nfs/dbraw/zinc/74/93/56/388749356.db2.gz DPDCBLKPIAKPAH-LLVKDONJSA-N 0 3 249.383 3.239 20 30 BGEDHN CC(C)=CCC[C@H](C)NCc1nc(C#N)cs1 ZINC000449440941 388749673 /nfs/dbraw/zinc/74/96/73/388749673.db2.gz DPDCBLKPIAKPAH-NSHDSACASA-N 0 3 249.383 3.239 20 30 BGEDHN CCc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000449446359 388208775 /nfs/dbraw/zinc/20/87/75/388208775.db2.gz PQSHKONTCRWQCJ-RYUDHWBXSA-N 0 3 232.327 3.014 20 30 BGEDHN Cc1cc(CN2CCC(CF)CC2)ccc1C#N ZINC000449464755 388749188 /nfs/dbraw/zinc/74/91/88/388749188.db2.gz ZDQQIFNXQOODSL-UHFFFAOYSA-N 0 3 246.329 3.048 20 30 BGEDHN CCC[C@@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000449466946 384876622 /nfs/dbraw/zinc/87/66/22/384876622.db2.gz ICLQDLXJNJLACR-CYBMUJFWSA-N 0 3 234.343 3.456 20 30 BGEDHN CCC[C@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000449466952 384874773 /nfs/dbraw/zinc/87/47/73/384874773.db2.gz ICLQDLXJNJLACR-ZDUSSCGKSA-N 0 3 234.343 3.456 20 30 BGEDHN C=C(C)CCNCc1c[nH]c(-c2ccccc2)n1 ZINC000449470998 388212780 /nfs/dbraw/zinc/21/27/80/388212780.db2.gz BWWJZCYTWUOBLG-UHFFFAOYSA-N 0 3 241.338 3.133 20 30 BGEDHN C=C(C)CCNCc1ncc(C(C)(C)C)s1 ZINC000449471977 388212407 /nfs/dbraw/zinc/21/24/07/388212407.db2.gz DQZXJFBTFIMURV-UHFFFAOYSA-N 0 3 238.400 3.496 20 30 BGEDHN C=C(C)CCN[C@H](C)c1cc(C)ccn1 ZINC000449474385 388213613 /nfs/dbraw/zinc/21/36/13/388213613.db2.gz JNNJHBJRWAIQJW-GFCCVEGCSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1cc(C)ccn1 ZINC000449474386 388213928 /nfs/dbraw/zinc/21/39/28/388213928.db2.gz JNNJHBJRWAIQJW-LBPRGKRZSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(C)CCNCc1cnc(-c2ccco2)s1 ZINC000449475612 201936840 /nfs/dbraw/zinc/93/68/40/201936840.db2.gz LTFMICPFXPJETL-UHFFFAOYSA-N 0 3 248.351 3.459 20 30 BGEDHN C=C(C)CCNCc1ncc(CSC)s1 ZINC000449476106 388214305 /nfs/dbraw/zinc/21/43/05/388214305.db2.gz MJJQYVPQBYPNSQ-UHFFFAOYSA-N 0 3 242.413 3.062 20 30 BGEDHN C=C(C)CCNCc1cnc(C2CCC2)s1 ZINC000449477260 384944632 /nfs/dbraw/zinc/94/46/32/384944632.db2.gz OURUWTZKAICLGG-UHFFFAOYSA-N 0 3 236.384 3.466 20 30 BGEDHN C=C(C)CCNCc1cnc(CC(C)C)s1 ZINC000449477813 388214301 /nfs/dbraw/zinc/21/43/01/388214301.db2.gz PXLFUDFIZHMGAY-UHFFFAOYSA-N 0 3 238.400 3.397 20 30 BGEDHN C=C(C)CCNCc1ccnn1C1CCCC1 ZINC000449477831 388214565 /nfs/dbraw/zinc/21/45/65/388214565.db2.gz QAIUAMNPGSNQKI-UHFFFAOYSA-N 0 3 233.359 3.054 20 30 BGEDHN C=C(C)CCNCc1csc(C2CC2)n1 ZINC000449479155 388215540 /nfs/dbraw/zinc/21/55/40/388215540.db2.gz UPAVSEWQGJNSFG-UHFFFAOYSA-N 0 3 222.357 3.076 20 30 BGEDHN C=C(C)CCNCc1ncc(C(C)C)s1 ZINC000449479551 388215404 /nfs/dbraw/zinc/21/54/04/388215404.db2.gz VJFKUUIPPJPLSX-UHFFFAOYSA-N 0 3 224.373 3.322 20 30 BGEDHN C=C(C)CCNCc1ccc(OC)cc1Cl ZINC000449480147 388215556 /nfs/dbraw/zinc/21/55/56/388215556.db2.gz XJTZMJQQIJUODZ-UHFFFAOYSA-N 0 3 239.746 3.404 20 30 BGEDHN C=C(C)CCNCc1cnc(C(C)C)s1 ZINC000449480188 388215318 /nfs/dbraw/zinc/21/53/18/388215318.db2.gz XRIFMEJVFURZFC-UHFFFAOYSA-N 0 3 224.373 3.322 20 30 BGEDHN C=C(C)CCNCc1nc(CCC)cs1 ZINC000449480215 388215622 /nfs/dbraw/zinc/21/56/22/388215622.db2.gz XWKTTZJOSXTZCU-UHFFFAOYSA-N 0 3 224.373 3.151 20 30 BGEDHN C=C(C)CCNCc1coc(-c2ccccc2)n1 ZINC000449480557 388215230 /nfs/dbraw/zinc/21/52/30/388215230.db2.gz YSYOGCRRBHMMEK-UHFFFAOYSA-N 0 3 242.322 3.397 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cc(C)ccn1 ZINC000449484082 388216462 /nfs/dbraw/zinc/21/64/62/388216462.db2.gz DYUDLVUYDYSHAA-GFCCVEGCSA-N 0 3 218.344 3.253 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cc(C)ccn1 ZINC000449484083 388216473 /nfs/dbraw/zinc/21/64/73/388216473.db2.gz DYUDLVUYDYSHAA-LBPRGKRZSA-N 0 3 218.344 3.253 20 30 BGEDHN C=CC(C)(C)CNCc1ccnn1C1CCCC1 ZINC000449484836 388216229 /nfs/dbraw/zinc/21/62/29/388216229.db2.gz JOJPTAIIRRJQFV-UHFFFAOYSA-N 0 3 247.386 3.300 20 30 BGEDHN C=CC(C)(C)CNCc1csc(C2CC2)n1 ZINC000449486235 388216893 /nfs/dbraw/zinc/21/68/93/388216893.db2.gz RJPSKVDGJIEFIU-UHFFFAOYSA-N 0 3 236.384 3.322 20 30 BGEDHN C=CC(C)(C)CNCc1nc(CCC)cs1 ZINC000449486293 388217179 /nfs/dbraw/zinc/21/71/79/388217179.db2.gz RSKXRQKLOKPFQU-UHFFFAOYSA-N 0 3 238.400 3.397 20 30 BGEDHN C=CC(C)(C)CNCc1cc(OC)ccc1F ZINC000449486601 388217046 /nfs/dbraw/zinc/21/70/46/388217046.db2.gz TULZUJFSCNZPJI-UHFFFAOYSA-N 0 3 237.318 3.136 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(CCC)c1 ZINC000449520808 384178616 /nfs/dbraw/zinc/17/86/16/384178616.db2.gz QJPVHHUEJBHEGH-CVEARBPZSA-N 0 3 245.366 3.072 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccccc1F ZINC000449523686 388224390 /nfs/dbraw/zinc/22/43/90/388224390.db2.gz XYSJASMYSHHRAG-KFWWJZLASA-N 0 3 249.329 3.210 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccccc1F ZINC000449523688 388224510 /nfs/dbraw/zinc/22/45/10/388224510.db2.gz XYSJASMYSHHRAG-ZNMIVQPWSA-N 0 3 249.329 3.210 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)C)cc1 ZINC000449523845 388224411 /nfs/dbraw/zinc/22/44/11/388224411.db2.gz YVLJWJZYDKEMBV-CVEARBPZSA-N 0 3 245.366 3.243 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(CCC)cc1 ZINC000449524120 388224321 /nfs/dbraw/zinc/22/43/21/388224321.db2.gz YWRJBWVOFBJCMV-CVEARBPZSA-N 0 3 245.366 3.072 20 30 BGEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)o2)[C@H]1C(C)C ZINC000449551458 384519563 /nfs/dbraw/zinc/51/95/63/384519563.db2.gz GNCYFMJTKAXFAS-CABCVRRESA-N 0 3 246.354 3.264 20 30 BGEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)o2)[C@H]1C(C)C ZINC000449551462 384518839 /nfs/dbraw/zinc/51/88/39/384518839.db2.gz GNCYFMJTKAXFAS-GJZGRUSLSA-N 0 3 246.354 3.264 20 30 BGEDHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1ccc(C#N)o1 ZINC000449551463 384520014 /nfs/dbraw/zinc/52/00/14/384520014.db2.gz GNCYFMJTKAXFAS-HUUCEWRRSA-N 0 3 246.354 3.264 20 30 BGEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)o2)[C@@H]1C(C)C ZINC000449551464 388751365 /nfs/dbraw/zinc/75/13/65/388751365.db2.gz GNCYFMJTKAXFAS-LSDHHAIUSA-N 0 3 246.354 3.264 20 30 BGEDHN CC(C)[C@@H]1C[C@H]1CNCc1ccc(C#N)cc1F ZINC000449553766 388750877 /nfs/dbraw/zinc/75/08/77/388750877.db2.gz NLEXCMSSIMMQTQ-KBPBESRZSA-N 0 3 246.329 3.079 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nccn1CC ZINC000449562616 388232466 /nfs/dbraw/zinc/23/24/66/388232466.db2.gz MLJJPPAKFRBMRY-AVGNSLFASA-N 0 3 235.375 3.154 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nccn1CC ZINC000449562617 388232502 /nfs/dbraw/zinc/23/25/02/388232502.db2.gz MLJJPPAKFRBMRY-RWMBFGLXSA-N 0 3 235.375 3.154 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nccn1CC ZINC000449562618 388232585 /nfs/dbraw/zinc/23/25/85/388232585.db2.gz MLJJPPAKFRBMRY-XQQFMLRXSA-N 0 3 235.375 3.154 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nccn1CC ZINC000449562619 388232708 /nfs/dbraw/zinc/23/27/08/388232708.db2.gz MLJJPPAKFRBMRY-YNEHKIRRSA-N 0 3 235.375 3.154 20 30 BGEDHN C=CCC[C@@H](CC)N[C@H](C)c1nccn1CC ZINC000449563954 388233981 /nfs/dbraw/zinc/23/39/81/388233981.db2.gz ZYITYBNCDGAHED-CHWSQXEVSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCC[C@H](CC)N[C@H](C)c1nccn1CC ZINC000449563955 388233460 /nfs/dbraw/zinc/23/34/60/388233460.db2.gz ZYITYBNCDGAHED-OLZOCXBDSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nccn1CC ZINC000449563956 388233535 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CC#CCN(C)CC/C=C/c1ccccc1 ZINC000451077373 202347590 /nfs/dbraw/zinc/34/75/90/202347590.db2.gz JSDVWOXQOZSHMJ-XYOKQWHBSA-N 0 3 213.324 3.045 20 30 BGEDHN CC(C)(C#N)CCCN1CCC[C@@](C)(F)C1 ZINC000451113469 202351873 /nfs/dbraw/zinc/35/18/73/202351873.db2.gz JZAVLGMQJYYXBM-CYBMUJFWSA-N 0 3 226.339 3.140 20 30 BGEDHN CC(C)(C#N)CCCN1CCC[C@](C)(F)C1 ZINC000451113473 202351968 /nfs/dbraw/zinc/35/19/68/202351968.db2.gz JZAVLGMQJYYXBM-ZDUSSCGKSA-N 0 3 226.339 3.140 20 30 BGEDHN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1CCCC#N ZINC000451142086 202365678 /nfs/dbraw/zinc/36/56/78/202365678.db2.gz FKGGFQIYIOPWES-AXFHLTTASA-N 0 3 248.292 3.341 20 30 BGEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1CCCC#N ZINC000451142096 202365162 /nfs/dbraw/zinc/36/51/62/202365162.db2.gz FKGGFQIYIOPWES-HBNTYKKESA-N 0 3 248.292 3.341 20 30 BGEDHN C=CCN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451148422 202365514 /nfs/dbraw/zinc/36/55/14/202365514.db2.gz QMQHNSLSGOTEMY-AEJSXWLSSA-N 0 3 221.266 3.224 20 30 BGEDHN C=CCN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148533 202365565 /nfs/dbraw/zinc/36/55/65/202365565.db2.gz QMQHNSLSGOTEMY-IVZWLZJFSA-N 0 3 221.266 3.224 20 30 BGEDHN CC#CCN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150207 202365658 /nfs/dbraw/zinc/36/56/58/202365658.db2.gz VRQVNTCREAFPLQ-AXFHLTTASA-N 0 3 233.277 3.061 20 30 BGEDHN CC#CCN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150208 202365259 /nfs/dbraw/zinc/36/52/59/202365259.db2.gz VRQVNTCREAFPLQ-HBNTYKKESA-N 0 3 233.277 3.061 20 30 BGEDHN C=C(C)CCNCc1nc(-c2ccccc2)c[nH]1 ZINC000451207796 202381291 /nfs/dbraw/zinc/38/12/91/202381291.db2.gz LZURSZXXZBIZBW-UHFFFAOYSA-N 0 3 241.338 3.133 20 30 BGEDHN C=CC(C)(C)CNCc1c(OC)cccc1OC ZINC000451213004 202382242 /nfs/dbraw/zinc/38/22/42/202382242.db2.gz QXDWYRWHGVZXPG-UHFFFAOYSA-N 0 3 249.354 3.006 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1F ZINC000451230906 202384304 /nfs/dbraw/zinc/38/43/04/202384304.db2.gz XIYBEXIXZJTSRH-DFBGVHRSSA-N 0 3 249.329 3.210 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1F ZINC000451230907 202385024 /nfs/dbraw/zinc/38/50/24/202385024.db2.gz XIYBEXIXZJTSRH-GLQYFDAESA-N 0 3 249.329 3.210 20 30 BGEDHN Cc1cccc2c1CC(C)(C)N(CCCC#N)C2 ZINC000451264942 385767452 /nfs/dbraw/zinc/76/74/52/385767452.db2.gz VGCUZKFWBOMJFK-UHFFFAOYSA-N 0 3 242.366 3.436 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000451305356 202399954 /nfs/dbraw/zinc/39/99/54/202399954.db2.gz VXMHBNRFFLLBEQ-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H](NCC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000451305365 202399285 /nfs/dbraw/zinc/39/92/85/202399285.db2.gz VXMHBNRFFLLBEQ-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000451305366 388261718 /nfs/dbraw/zinc/26/17/18/388261718.db2.gz VXMHBNRFFLLBEQ-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000451305367 385777266 /nfs/dbraw/zinc/77/72/66/385777266.db2.gz VXMHBNRFFLLBEQ-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1ccccn1 ZINC000451366983 388265749 /nfs/dbraw/zinc/26/57/49/388265749.db2.gz KHVPVMLELMUHNF-CYBMUJFWSA-N 0 3 218.344 3.258 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1ccccn1 ZINC000451366984 388266198 /nfs/dbraw/zinc/26/61/98/388266198.db2.gz KHVPVMLELMUHNF-ZDUSSCGKSA-N 0 3 218.344 3.258 20 30 BGEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCCCC#N ZINC000451421438 388270867 /nfs/dbraw/zinc/27/08/67/388270867.db2.gz RVQQLTSBZHXHMM-GHMZBOCLSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCCC#N ZINC000451421439 388271100 /nfs/dbraw/zinc/27/11/00/388271100.db2.gz RVQQLTSBZHXHMM-MNOVXSKESA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCCCC#N ZINC000451421440 388271481 /nfs/dbraw/zinc/27/14/81/388271481.db2.gz RVQQLTSBZHXHMM-QWRGUYRKSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCCCC#N ZINC000451421441 388271218 /nfs/dbraw/zinc/27/12/18/388271218.db2.gz RVQQLTSBZHXHMM-WDEREUQCSA-N 0 3 248.292 3.343 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CCC1)C(C)(C)C ZINC000451437516 388273320 /nfs/dbraw/zinc/27/33/20/388273320.db2.gz LXWKZCVQQKKKNG-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN CCC[C@H](NCC1(C#N)CCC1)C(C)(C)C ZINC000451437518 388273091 /nfs/dbraw/zinc/27/30/91/388273091.db2.gz LXWKZCVQQKKKNG-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CC1)C(C)(C)C ZINC000451442351 388273913 /nfs/dbraw/zinc/27/39/13/388273913.db2.gz VNTSNFMYNIZLLR-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@H](NCC1(C#N)CC1)C(C)(C)C ZINC000451442352 388274196 /nfs/dbraw/zinc/27/41/96/388274196.db2.gz VNTSNFMYNIZLLR-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN C(#Cc1ccccc1)CN[C@H]1CCC12CCCC2 ZINC000451463600 388275941 /nfs/dbraw/zinc/27/59/41/388275941.db2.gz XQNOMWIHUJINAI-INIZCTEOSA-N 0 3 239.362 3.351 20 30 BGEDHN C(#Cc1ccccc1)CN[C@@H]1CCC12CCCC2 ZINC000451463601 388275758 /nfs/dbraw/zinc/27/57/58/388275758.db2.gz XQNOMWIHUJINAI-MRXNPFEDSA-N 0 3 239.362 3.351 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(F)cc1 ZINC000451605857 385994774 /nfs/dbraw/zinc/99/47/74/385994774.db2.gz KTOWPNBCSDREDR-KFWWJZLASA-N 0 3 249.329 3.210 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(F)cc1 ZINC000451605861 385995753 /nfs/dbraw/zinc/99/57/53/385995753.db2.gz KTOWPNBCSDREDR-ZNMIVQPWSA-N 0 3 249.329 3.210 20 30 BGEDHN C=CCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846158 388300749 /nfs/dbraw/zinc/30/07/49/388300749.db2.gz VVCNYGFKRLBKBL-CYBMUJFWSA-N 0 3 217.312 3.383 20 30 BGEDHN C=CCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846159 388300587 /nfs/dbraw/zinc/30/05/87/388300587.db2.gz VVCNYGFKRLBKBL-ZDUSSCGKSA-N 0 3 217.312 3.383 20 30 BGEDHN C=CCCCCCN1CCN([C@@H](C)CC)CC1 ZINC000451850752 388300982 /nfs/dbraw/zinc/30/09/82/388300982.db2.gz XVSXWYXIMHZYNA-HNNXBMFYSA-N 0 3 238.419 3.149 20 30 BGEDHN C=CCCCCCN1CCN([C@H](C)CC)CC1 ZINC000451850753 388301039 /nfs/dbraw/zinc/30/10/39/388301039.db2.gz XVSXWYXIMHZYNA-OAHLLOKOSA-N 0 3 238.419 3.149 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N(CC2(C#N)CCC2)C1 ZINC000451952628 387686795 /nfs/dbraw/zinc/68/67/95/387686795.db2.gz GVQBYNUZUWISBI-QWHCGFSZSA-N 0 3 220.360 3.191 20 30 BGEDHN C=CCN1CCC[C@H]1c1ccc(F)cc1C ZINC000451968730 387689933 /nfs/dbraw/zinc/68/99/33/387689933.db2.gz JHXUVTYIOXHPHE-AWEZNQCLSA-N 0 3 219.303 3.457 20 30 BGEDHN C=CCN1CCC[C@@H]1c1ccc(F)cc1C ZINC000451968735 387690443 /nfs/dbraw/zinc/69/04/43/387690443.db2.gz JHXUVTYIOXHPHE-CQSZACIVSA-N 0 3 219.303 3.457 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccccc1C#N ZINC000452001944 384325492 /nfs/dbraw/zinc/32/54/92/384325492.db2.gz GLPZLZHSIAXRKS-GFCCVEGCSA-N 0 3 228.339 3.321 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1ccccc1C#N ZINC000452001945 384326726 /nfs/dbraw/zinc/32/67/26/384326726.db2.gz GLPZLZHSIAXRKS-LBPRGKRZSA-N 0 3 228.339 3.321 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)c(F)c1 ZINC000452005486 384336051 /nfs/dbraw/zinc/33/60/51/384336051.db2.gz JWKQKTXJKSNZBM-LLVKDONJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)c(F)c1 ZINC000452005487 202507613 /nfs/dbraw/zinc/50/76/13/202507613.db2.gz JWKQKTXJKSNZBM-NSHDSACASA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1F ZINC000452010722 384381504 /nfs/dbraw/zinc/38/15/04/384381504.db2.gz WBDDBODQGODPGL-LLVKDONJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)cc1F ZINC000452010725 384385901 /nfs/dbraw/zinc/38/59/01/384385901.db2.gz WBDDBODQGODPGL-NSHDSACASA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1cc(C#N)ccc1F ZINC000452012494 384385833 /nfs/dbraw/zinc/38/58/33/384385833.db2.gz XXZPJJCIIVPRRG-LLVKDONJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1cc(C#N)ccc1F ZINC000452012496 384385224 /nfs/dbraw/zinc/38/52/24/384385224.db2.gz XXZPJJCIIVPRRG-NSHDSACASA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1cccc(C#N)c1F ZINC000452014446 384385460 /nfs/dbraw/zinc/38/54/60/384385460.db2.gz UNTJVYPFIRLRAC-LLVKDONJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1cccc(C#N)c1F ZINC000452014447 384385649 /nfs/dbraw/zinc/38/56/49/384385649.db2.gz UNTJVYPFIRLRAC-NSHDSACASA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1CC#Cc1ccccc1 ZINC000452015411 387702403 /nfs/dbraw/zinc/70/24/03/387702403.db2.gz VHFPPYRARUNWQP-AWEZNQCLSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1CC#Cc1ccccc1 ZINC000452015412 387702009 /nfs/dbraw/zinc/70/20/09/387702009.db2.gz VHFPPYRARUNWQP-CQSZACIVSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(F)c(C#N)c1 ZINC000452020415 384405917 /nfs/dbraw/zinc/40/59/17/384405917.db2.gz ZMZZRWNSEKXXFR-LLVKDONJSA-N 0 3 246.329 3.460 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(F)c(C#N)c1 ZINC000452020416 384402583 /nfs/dbraw/zinc/40/25/83/384402583.db2.gz ZMZZRWNSEKXXFR-NSHDSACASA-N 0 3 246.329 3.460 20 30 BGEDHN Cc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000452039081 387707297 /nfs/dbraw/zinc/70/72/97/387707297.db2.gz AFAVKLLHIWJVGK-GDBMZVCRSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000452039086 387708518 /nfs/dbraw/zinc/70/85/18/387708518.db2.gz AFAVKLLHIWJVGK-GOEBONIOSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000452039088 387708323 /nfs/dbraw/zinc/70/83/23/387708323.db2.gz AFAVKLLHIWJVGK-HOCLYGCPSA-N 0 3 242.366 3.428 20 30 BGEDHN Cc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000452039090 387708247 /nfs/dbraw/zinc/70/82/47/387708247.db2.gz AFAVKLLHIWJVGK-ZBFHGGJFSA-N 0 3 242.366 3.428 20 30 BGEDHN C[C@]12CN(CC3(C#N)CCC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452040953 387707016 /nfs/dbraw/zinc/70/70/16/387707016.db2.gz BSGZIZRZOUWNOL-CBBWQLFWSA-N 0 3 244.382 3.048 20 30 BGEDHN C[C@]12CN(CC3(C#N)CCC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452040954 387707964 /nfs/dbraw/zinc/70/79/64/387707964.db2.gz BSGZIZRZOUWNOL-LXTVHRRPSA-N 0 3 244.382 3.048 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@H]1CCC[C@H](C)C1 ZINC000452056893 387717409 /nfs/dbraw/zinc/71/74/09/387717409.db2.gz FLHLVKDZLRCJBQ-AVGNSLFASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000452056895 387715565 /nfs/dbraw/zinc/71/55/65/387715565.db2.gz FLHLVKDZLRCJBQ-RWMBFGLXSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452061374 202520063 /nfs/dbraw/zinc/52/00/63/202520063.db2.gz PCWNCJGRGQIRAV-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@H]1CCC[C@H](C)C1 ZINC000452061375 387719002 /nfs/dbraw/zinc/71/90/02/387719002.db2.gz PCWNCJGRGQIRAV-IHRRRGAJSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1CCC[C@H](C)C1 ZINC000452061376 387718340 /nfs/dbraw/zinc/71/83/40/387718340.db2.gz PCWNCJGRGQIRAV-MELADBBJSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCC1)[C@H]1CCC[C@@H](C)C1 ZINC000452061377 387720067 /nfs/dbraw/zinc/72/00/67/387720067.db2.gz PCWNCJGRGQIRAV-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C)C[C@H]1CCN(CC2(C#N)CCC2)C1 ZINC000452067877 387723480 /nfs/dbraw/zinc/72/34/80/387723480.db2.gz AXCRARPORXTKQO-CYBMUJFWSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(C)C[C@@H]1CCN(CC2(C#N)CCC2)C1 ZINC000452067884 387721762 /nfs/dbraw/zinc/72/17/62/387721762.db2.gz AXCRARPORXTKQO-ZDUSSCGKSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000452070524 387726340 /nfs/dbraw/zinc/72/63/40/387726340.db2.gz PTVXEYUTFJSKCO-BARDWOONSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452070528 386232283 /nfs/dbraw/zinc/23/22/83/386232283.db2.gz PTVXEYUTFJSKCO-CBBWQLFWSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452070538 386233752 /nfs/dbraw/zinc/23/37/52/386233752.db2.gz PTVXEYUTFJSKCO-LXTVHRRPSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000452070539 386232539 /nfs/dbraw/zinc/23/25/39/386232539.db2.gz PTVXEYUTFJSKCO-QPSCCSFWSA-N 0 3 247.386 3.234 20 30 BGEDHN CC(C)(C)C[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000452079341 387727860 /nfs/dbraw/zinc/72/78/60/387727860.db2.gz NFXRHAUANQIGOL-GFCCVEGCSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)(C)C[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000452079342 387728138 /nfs/dbraw/zinc/72/81/38/387728138.db2.gz NFXRHAUANQIGOL-LBPRGKRZSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)N(CC1(C#N)CC1)C1CC(C)(C)C1 ZINC000452098737 387735080 /nfs/dbraw/zinc/73/50/80/387735080.db2.gz BFFNBDYAHDNPGP-UHFFFAOYSA-N 0 3 220.360 3.189 20 30 BGEDHN C=CCSCCN[C@H](CC)c1ccncc1 ZINC000453129099 387992763 /nfs/dbraw/zinc/99/27/63/387992763.db2.gz DQEUERIBBOXWSI-CYBMUJFWSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCSCCN[C@@H](CC)c1ccncc1 ZINC000453129100 387992954 /nfs/dbraw/zinc/99/29/54/387992954.db2.gz DQEUERIBBOXWSI-ZDUSSCGKSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1nccn1CC ZINC000453182904 388005005 /nfs/dbraw/zinc/00/50/05/388005005.db2.gz SVMAAWGZRWUNNP-CHWSQXEVSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nccn1CC ZINC000453182905 388004671 /nfs/dbraw/zinc/00/46/71/388004671.db2.gz SVMAAWGZRWUNNP-OLZOCXBDSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1nccn1CC ZINC000453182906 388005263 /nfs/dbraw/zinc/00/52/63/388005263.db2.gz SVMAAWGZRWUNNP-QWHCGFSZSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1nccn1CC ZINC000453182907 202705838 /nfs/dbraw/zinc/70/58/38/202705838.db2.gz SVMAAWGZRWUNNP-STQMWFEESA-N 0 3 235.375 3.298 20 30 BGEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccsc1 ZINC000453214744 388011279 /nfs/dbraw/zinc/01/12/79/388011279.db2.gz NGPOZDFBOOMOOE-GFCCVEGCSA-N 0 3 234.368 3.483 20 30 BGEDHN CC[C@H](NCC1(CC#N)CC1)c1ccsc1 ZINC000453214746 388011401 /nfs/dbraw/zinc/01/14/01/388011401.db2.gz NGPOZDFBOOMOOE-LBPRGKRZSA-N 0 3 234.368 3.483 20 30 BGEDHN Cc1cc([C@@H](C)NCC2(CC#N)CC2)cs1 ZINC000453219045 388012587 /nfs/dbraw/zinc/01/25/87/388012587.db2.gz PZLZIEILRLNMAC-LLVKDONJSA-N 0 3 234.368 3.401 20 30 BGEDHN Cc1cc([C@H](C)NCC2(CC#N)CC2)cs1 ZINC000453219046 388012651 /nfs/dbraw/zinc/01/26/51/388012651.db2.gz PZLZIEILRLNMAC-NSHDSACASA-N 0 3 234.368 3.401 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1nccn1CC ZINC000453231008 388017945 /nfs/dbraw/zinc/01/79/45/388017945.db2.gz GKCOPYGAYFMKMO-GFCCVEGCSA-N 0 3 235.375 3.156 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1nccn1CC ZINC000453231010 388017837 /nfs/dbraw/zinc/01/78/37/388017837.db2.gz GKCOPYGAYFMKMO-LBPRGKRZSA-N 0 3 235.375 3.156 20 30 BGEDHN CCC1(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453286607 398175908 /nfs/dbraw/zinc/17/59/08/398175908.db2.gz KQMAENVWFLZOFH-JTQLQIEISA-N 0 3 232.302 3.291 20 30 BGEDHN CCC1(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453286618 386334472 /nfs/dbraw/zinc/33/44/72/386334472.db2.gz KQMAENVWFLZOFH-SNVBAGLBSA-N 0 3 232.302 3.291 20 30 BGEDHN C=CCC[C@H](NCC1=CCOCC1)c1ccco1 ZINC000453293142 388036537 /nfs/dbraw/zinc/03/65/37/388036537.db2.gz PQPFPEAUXLNKOW-AWEZNQCLSA-N 0 3 247.338 3.223 20 30 BGEDHN C=CCC[C@@H](NCC1=CCOCC1)c1ccco1 ZINC000453293145 388037416 /nfs/dbraw/zinc/03/74/16/388037416.db2.gz PQPFPEAUXLNKOW-CQSZACIVSA-N 0 3 247.338 3.223 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1ccncc1F ZINC000453305104 388040073 /nfs/dbraw/zinc/04/00/73/388040073.db2.gz HAZSOWKQXMFXFA-JTQLQIEISA-N 0 3 222.307 3.084 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1ccncc1F ZINC000453305105 388039568 /nfs/dbraw/zinc/03/95/68/388039568.db2.gz HAZSOWKQXMFXFA-SNVBAGLBSA-N 0 3 222.307 3.084 20 30 BGEDHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000453312623 386744835 /nfs/dbraw/zinc/74/48/35/386744835.db2.gz VOLDXMYKFWQPIC-RTXFEEFZSA-N 0 3 246.329 3.394 20 30 BGEDHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453312629 386743685 /nfs/dbraw/zinc/74/36/85/386743685.db2.gz VOLDXMYKFWQPIC-UHTWSYAYSA-N 0 3 246.329 3.394 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ncccc1CC ZINC000453314832 388044314 /nfs/dbraw/zinc/04/43/14/388044314.db2.gz JAAMYSMEHONSKQ-GFCCVEGCSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ncccc1CC ZINC000453314833 388043377 /nfs/dbraw/zinc/04/33/77/388043377.db2.gz JAAMYSMEHONSKQ-LBPRGKRZSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccc(CC)o1 ZINC000453322000 388046844 /nfs/dbraw/zinc/04/68/44/388046844.db2.gz QDYYVLPRHUGRRV-LLVKDONJSA-N 0 3 207.317 3.459 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccc(CC)o1 ZINC000453322001 388047029 /nfs/dbraw/zinc/04/70/29/388047029.db2.gz QDYYVLPRHUGRRV-NSHDSACASA-N 0 3 207.317 3.459 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000453322012 388046516 /nfs/dbraw/zinc/04/65/16/388046516.db2.gz QGARXVMIDWJPFT-JTQLQIEISA-N 0 3 236.384 3.249 20 30 BGEDHN C=C(C)CCN[C@H](C)c1nc2c(s1)CCC2 ZINC000453322013 388046898 /nfs/dbraw/zinc/04/68/98/388046898.db2.gz QGARXVMIDWJPFT-SNVBAGLBSA-N 0 3 236.384 3.249 20 30 BGEDHN CC/C=C\CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453322167 386745266 /nfs/dbraw/zinc/74/52/66/386745266.db2.gz PBUBJBFKWOLXSN-DOGVGXBMSA-N 0 3 232.302 3.314 20 30 BGEDHN CC/C=C\CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453322202 386743769 /nfs/dbraw/zinc/74/37/69/386743769.db2.gz PBUBJBFKWOLXSN-WYGGZMRJSA-N 0 3 232.302 3.314 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1csc(C)c1 ZINC000453322941 388046339 /nfs/dbraw/zinc/04/63/39/388046339.db2.gz AKRMDILARJGZCU-RTXFEEFZSA-N 0 3 237.368 3.051 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1csc(C)c1 ZINC000453322942 388046145 /nfs/dbraw/zinc/04/61/45/388046145.db2.gz AKRMDILARJGZCU-UHTWSYAYSA-N 0 3 237.368 3.051 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000453331144 388049214 /nfs/dbraw/zinc/04/92/14/388049214.db2.gz ZKOGBIVFKIGGJB-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=C(C)CCN[C@H](C)c1ccc(Cl)cn1 ZINC000453331147 388048899 /nfs/dbraw/zinc/04/88/99/388048899.db2.gz ZKOGBIVFKIGGJB-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN CC/C=C\CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000453332350 386747098 /nfs/dbraw/zinc/74/70/98/386747098.db2.gz WFOCWXCBSYBKJA-ABCZVMIZSA-N 0 3 226.323 3.101 20 30 BGEDHN CC/C=C/CN[C@H]1CCc2ccc(C#N)cc21 ZINC000453332351 386750521 /nfs/dbraw/zinc/75/05/21/386750521.db2.gz WFOCWXCBSYBKJA-BWPKMQGJSA-N 0 3 226.323 3.101 20 30 BGEDHN CC/C=C\CN[C@H]1CCc2ccc(C#N)cc21 ZINC000453332352 386746699 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NAKGFNVAERMFDD-AWEZNQCLSA-N 0 3 218.344 3.479 20 30 BGEDHN C=C(CC)CN[C@H](CCC)c1cccnc1 ZINC000453360863 388058803 /nfs/dbraw/zinc/05/88/03/388058803.db2.gz NAKGFNVAERMFDD-CQSZACIVSA-N 0 3 218.344 3.479 20 30 BGEDHN C=CCC1(CN[C@H](C)c2nccn2C)CCCC1 ZINC000453361468 388058778 /nfs/dbraw/zinc/05/87/78/388058778.db2.gz KBDJIRYJBHBBTQ-CYBMUJFWSA-N 0 3 247.386 3.207 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2nccn2C)CCCC1 ZINC000453361470 202749023 /nfs/dbraw/zinc/74/90/23/202749023.db2.gz KBDJIRYJBHBBTQ-ZDUSSCGKSA-N 0 3 247.386 3.207 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000453362232 388059835 /nfs/dbraw/zinc/05/98/35/388059835.db2.gz NSGOYZDIDGRHCI-CYBMUJFWSA-N 0 3 249.329 3.377 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2c1ccc(OC)c2F ZINC000453362234 388059849 /nfs/dbraw/zinc/05/98/49/388059849.db2.gz NSGOYZDIDGRHCI-ZDUSSCGKSA-N 0 3 249.329 3.377 20 30 BGEDHN C=CCC1(CN[C@H](C)c2ccncn2)CCCC1 ZINC000453364385 388059276 /nfs/dbraw/zinc/05/92/76/388059276.db2.gz LBBAFZQBQRPHPL-CYBMUJFWSA-N 0 3 245.370 3.264 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2ccncn2)CCCC1 ZINC000453364387 205801605 /nfs/dbraw/zinc/80/16/05/205801605.db2.gz LBBAFZQBQRPHPL-ZDUSSCGKSA-N 0 3 245.370 3.264 20 30 BGEDHN C=CCC[C@@H](NCCC1(CO)CC1)c1ccco1 ZINC000453365772 388061503 /nfs/dbraw/zinc/06/15/03/388061503.db2.gz VZIPEDZDRASQCB-CYBMUJFWSA-N 0 3 249.354 3.039 20 30 BGEDHN C=CCC[C@H](NCCC1(CO)CC1)c1ccco1 ZINC000453365774 386482288 /nfs/dbraw/zinc/48/22/88/386482288.db2.gz VZIPEDZDRASQCB-ZDUSSCGKSA-N 0 3 249.354 3.039 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccccc1N(C)C ZINC000453367080 388061883 /nfs/dbraw/zinc/06/18/83/388061883.db2.gz POYYYEQRRIDMEC-CYBMUJFWSA-N 0 3 232.371 3.369 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccccc1N(C)C ZINC000453367082 388061645 /nfs/dbraw/zinc/06/16/45/388061645.db2.gz POYYYEQRRIDMEC-ZDUSSCGKSA-N 0 3 232.371 3.369 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2c1cccc2OC ZINC000453367262 388061173 /nfs/dbraw/zinc/06/11/73/388061173.db2.gz PXKQGURBOJAUAI-AWEZNQCLSA-N 0 3 231.339 3.238 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2c1cccc2OC ZINC000453367265 388060805 /nfs/dbraw/zinc/06/08/05/388060805.db2.gz PXKQGURBOJAUAI-CQSZACIVSA-N 0 3 231.339 3.238 20 30 BGEDHN C=CCC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000453367379 488190362 /nfs/dbraw/zinc/19/03/62/488190362.db2.gz MJZOKCXNUUIXBT-GFCCVEGCSA-N 0 3 233.359 3.197 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000453367381 488189836 /nfs/dbraw/zinc/18/98/36/488189836.db2.gz MJZOKCXNUUIXBT-LBPRGKRZSA-N 0 3 233.359 3.197 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)COC2 ZINC000453373525 388062677 /nfs/dbraw/zinc/06/26/77/388062677.db2.gz SRQQSEPCZCNNRQ-GFCCVEGCSA-N 0 3 231.339 3.334 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000453373528 388062621 /nfs/dbraw/zinc/06/26/21/388062621.db2.gz SRQQSEPCZCNNRQ-LBPRGKRZSA-N 0 3 231.339 3.334 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cncc(C)c1 ZINC000453373642 202753507 /nfs/dbraw/zinc/75/35/07/202753507.db2.gz SYZFPTOAHDIQNC-GFCCVEGCSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cncc(C)c1 ZINC000453373645 388063299 /nfs/dbraw/zinc/06/32/99/388063299.db2.gz SYZFPTOAHDIQNC-LBPRGKRZSA-N 0 3 204.317 3.007 20 30 BGEDHN C=C(CC)CN[C@H](CC)c1ccncc1 ZINC000453374680 388063329 /nfs/dbraw/zinc/06/33/29/388063329.db2.gz TVJXTBBTSTZXDZ-CYBMUJFWSA-N 0 3 204.317 3.089 20 30 BGEDHN C=C(CC)CN[C@@H](CC)c1ccncc1 ZINC000453374681 388063228 /nfs/dbraw/zinc/06/32/28/388063228.db2.gz TVJXTBBTSTZXDZ-ZDUSSCGKSA-N 0 3 204.317 3.089 20 30 BGEDHN C=CCC[C@H](NCc1cnc(CCC)o1)C1CC1 ZINC000453375587 388064823 /nfs/dbraw/zinc/06/48/23/388064823.db2.gz JJZGVEDGTZOLPQ-AWEZNQCLSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CCC[C@@H](NCc1cnc(CCC)o1)C1CC1 ZINC000453375589 388064849 /nfs/dbraw/zinc/06/48/49/388064849.db2.gz JJZGVEDGTZOLPQ-CQSZACIVSA-N 0 3 248.370 3.462 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000453376118 202754095 /nfs/dbraw/zinc/75/40/95/202754095.db2.gz URLOCZXUWWBHLD-GFCCVEGCSA-N 0 3 246.354 3.262 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000453376121 388064789 /nfs/dbraw/zinc/06/47/89/388064789.db2.gz URLOCZXUWWBHLD-LBPRGKRZSA-N 0 3 246.354 3.262 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000453376837 398153789 /nfs/dbraw/zinc/15/37/89/398153789.db2.gz UVBYJHJRHYJGRD-LLVKDONJSA-N 0 3 235.327 3.018 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453376839 398153825 /nfs/dbraw/zinc/15/38/25/398153825.db2.gz UVBYJHJRHYJGRD-NSHDSACASA-N 0 3 235.327 3.018 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccsc1 ZINC000453376922 388064089 /nfs/dbraw/zinc/06/40/89/388064089.db2.gz YGQRDEDNXBIBJJ-RTXFEEFZSA-N 0 3 237.368 3.132 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccsc1 ZINC000453376924 388063880 /nfs/dbraw/zinc/06/38/80/388063880.db2.gz YGQRDEDNXBIBJJ-UHTWSYAYSA-N 0 3 237.368 3.132 20 30 BGEDHN C=C(CC)CN[C@H](c1cccnc1)C1CCC1 ZINC000453378191 388064281 /nfs/dbraw/zinc/06/42/81/388064281.db2.gz VRYGITAMDWAAKO-HNNXBMFYSA-N 0 3 230.355 3.479 20 30 BGEDHN C=C(CC)CN[C@@H](c1cccnc1)C1CCC1 ZINC000453378192 388064401 /nfs/dbraw/zinc/06/44/01/388064401.db2.gz VRYGITAMDWAAKO-OAHLLOKOSA-N 0 3 230.355 3.479 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)oc1C ZINC000453379248 388064405 /nfs/dbraw/zinc/06/44/05/388064405.db2.gz YVAMXHCEPUJESG-DFBGVHRSSA-N 0 3 249.354 3.281 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000453379249 388064410 /nfs/dbraw/zinc/06/44/10/388064410.db2.gz YVAMXHCEPUJESG-GLQYFDAESA-N 0 3 249.354 3.281 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1 ZINC000453379424 388064184 /nfs/dbraw/zinc/06/41/84/388064184.db2.gz ZGAGQFBLUSANSS-DFBGVHRSSA-N 0 3 249.329 3.210 20 30 BGEDHN C=CCC1(CN[C@H](C)c2cnccn2)CCCC1 ZINC000453379744 388066084 /nfs/dbraw/zinc/06/60/84/388066084.db2.gz QWWZRNFBUWZWEF-CYBMUJFWSA-N 0 3 245.370 3.264 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2cnccn2)CCCC1 ZINC000453379746 388065967 /nfs/dbraw/zinc/06/59/67/388065967.db2.gz QWWZRNFBUWZWEF-ZDUSSCGKSA-N 0 3 245.370 3.264 20 30 BGEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1 ZINC000453379912 386495241 /nfs/dbraw/zinc/49/52/41/386495241.db2.gz ZGAGQFBLUSANSS-GLQYFDAESA-N 0 3 249.329 3.210 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2ccc(F)cc21 ZINC000453379946 488189925 /nfs/dbraw/zinc/18/99/25/488189925.db2.gz WLGFRGNHFDMRIP-AWEZNQCLSA-N 0 3 219.303 3.369 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2ccc(F)cc21 ZINC000453379948 488190186 /nfs/dbraw/zinc/19/01/86/488190186.db2.gz WLGFRGNHFDMRIP-CQSZACIVSA-N 0 3 219.303 3.369 20 30 BGEDHN C=CCC[C@@H](NCc1cnc(CC)o1)C1CC1 ZINC000453381157 388065698 /nfs/dbraw/zinc/06/56/98/388065698.db2.gz LEFZCVJVJVFHDK-CYBMUJFWSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CCC[C@H](NCc1cnc(CC)o1)C1CC1 ZINC000453381161 388066063 /nfs/dbraw/zinc/06/60/63/388066063.db2.gz LEFZCVJVJVFHDK-ZDUSSCGKSA-N 0 3 234.343 3.071 20 30 BGEDHN C=C(CC)CN[C@H](c1ccc(F)cn1)C(C)C ZINC000453381263 388065796 /nfs/dbraw/zinc/06/57/96/388065796.db2.gz XKWMOXJLIOHNPY-AWEZNQCLSA-N 0 3 236.334 3.474 20 30 BGEDHN C=C(CC)CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000453381266 388066171 /nfs/dbraw/zinc/06/61/71/388066171.db2.gz XKWMOXJLIOHNPY-CQSZACIVSA-N 0 3 236.334 3.474 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ncccc1CC ZINC000453381283 388065356 /nfs/dbraw/zinc/06/53/56/388065356.db2.gz XMACZQWQOUMUAV-GFCCVEGCSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ncccc1CC ZINC000453381286 388065378 /nfs/dbraw/zinc/06/53/78/388065378.db2.gz XMACZQWQOUMUAV-LBPRGKRZSA-N 0 3 218.344 3.261 20 30 BGEDHN C=C(CC)CN[C@H](CCC)c1ccccn1 ZINC000453381809 388066204 /nfs/dbraw/zinc/06/62/04/388066204.db2.gz XRXJAJZMPFLXSV-CYBMUJFWSA-N 0 3 218.344 3.479 20 30 BGEDHN C=C(CC)CN[C@@H](CCC)c1ccccn1 ZINC000453381810 388066110 /nfs/dbraw/zinc/06/61/10/388066110.db2.gz XRXJAJZMPFLXSV-ZDUSSCGKSA-N 0 3 218.344 3.479 20 30 BGEDHN C=CCC[C@@H](NC[C@@H]1CCC[C@H]1O)c1ccco1 ZINC000453387313 386540979 /nfs/dbraw/zinc/54/09/79/386540979.db2.gz PSRKGCYVFLBSNE-BFHYXJOUSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CCC[C@H]1O)c1ccco1 ZINC000453387316 386540023 /nfs/dbraw/zinc/54/00/23/386540023.db2.gz PSRKGCYVFLBSNE-MELADBBJSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@H](O)C1CCC1)c1ccco1 ZINC000453387443 388068029 /nfs/dbraw/zinc/06/80/29/388068029.db2.gz PZPGFKDDDOHSFN-KBPBESRZSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@@H](NC[C@H](O)C1CCC1)c1ccco1 ZINC000453387445 388068056 /nfs/dbraw/zinc/06/80/56/388068056.db2.gz PZPGFKDDDOHSFN-KGLIPLIRSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC[C@@H](O)C1CCC1)c1ccco1 ZINC000453387446 386542450 /nfs/dbraw/zinc/54/24/50/386542450.db2.gz PZPGFKDDDOHSFN-UONOGXRCSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@@H](NC[C@@H](O)C1CCC1)c1ccco1 ZINC000453387447 386543930 /nfs/dbraw/zinc/54/39/30/386543930.db2.gz PZPGFKDDDOHSFN-ZIAGYGMSSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@@H](NCC1(CC)COC1)c1ccco1 ZINC000453393054 388069319 /nfs/dbraw/zinc/06/93/19/388069319.db2.gz ZOYPVJDIOUXQDC-CYBMUJFWSA-N 0 3 249.354 3.303 20 30 BGEDHN C=CCC[C@H](NCC1(CC)COC1)c1ccco1 ZINC000453393055 386564047 /nfs/dbraw/zinc/56/40/47/386564047.db2.gz ZOYPVJDIOUXQDC-ZDUSSCGKSA-N 0 3 249.354 3.303 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccco1 ZINC000453406556 388075268 /nfs/dbraw/zinc/07/52/68/388075268.db2.gz KVNXDFDWBZWJPA-IHRRRGAJSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccco1 ZINC000453406557 388074799 /nfs/dbraw/zinc/07/47/99/388074799.db2.gz KVNXDFDWBZWJPA-MCIONIFRSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccco1 ZINC000453406558 388074543 /nfs/dbraw/zinc/07/45/43/388074543.db2.gz KVNXDFDWBZWJPA-MJBXVCDLSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccco1 ZINC000453406559 388075254 /nfs/dbraw/zinc/07/52/54/388075254.db2.gz KVNXDFDWBZWJPA-RDBSUJKOSA-N 0 3 249.354 3.444 20 30 BGEDHN N#Cc1ccc(CNCC2(C3CCC3)CCC2)o1 ZINC000453581838 398203216 /nfs/dbraw/zinc/20/32/16/398203216.db2.gz HXLZSJCCSVCBOR-UHFFFAOYSA-N 0 3 244.338 3.211 20 30 BGEDHN C=CCOc1ccc(CN2CC(CC)C2)cc1 ZINC000453608145 388092146 /nfs/dbraw/zinc/09/21/46/388092146.db2.gz UARPIFUKNLMETA-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN C=CCOc1cccc(CN2CC(CC)C2)c1 ZINC000453609499 388092347 /nfs/dbraw/zinc/09/23/47/388092347.db2.gz WOTYWSVVLOGYMC-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN C=CCOc1ccccc1CN1CC(CC)C1 ZINC000453611123 388092420 /nfs/dbraw/zinc/09/24/20/388092420.db2.gz ZGNRHEHWDKCKJO-UHFFFAOYSA-N 0 3 231.339 3.093 20 30 BGEDHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(C#N)o1 ZINC000453613849 385772329 /nfs/dbraw/zinc/77/23/29/385772329.db2.gz PHCSCIALQXTOQD-KBPBESRZSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(C#N)o1 ZINC000453613850 385771859 /nfs/dbraw/zinc/77/18/59/385771859.db2.gz PHCSCIALQXTOQD-KGLIPLIRSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccc(C#N)o1 ZINC000453613851 385772250 /nfs/dbraw/zinc/77/22/50/385772250.db2.gz PHCSCIALQXTOQD-UONOGXRCSA-N 0 3 232.327 3.066 20 30 BGEDHN CC[C@]1(C(C)C)C[C@H]1NCc1ccc(C#N)o1 ZINC000453613852 385771405 /nfs/dbraw/zinc/77/14/05/385771405.db2.gz PHCSCIALQXTOQD-ZIAGYGMSSA-N 0 3 232.327 3.066 20 30 BGEDHN C=CCN(CC=C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459306224 203253623 /nfs/dbraw/zinc/25/36/23/203253623.db2.gz WBBUOSPTCAOEAX-HOTGVXAUSA-N 0 3 227.351 3.464 20 30 BGEDHN CCN(C[C@H](C)C#N)CC1CCC(F)(F)CC1 ZINC000459330449 203258138 /nfs/dbraw/zinc/25/81/38/203258138.db2.gz SVJSAPAQQIOPOW-LLVKDONJSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(C[C@@H](C)C#N)CC1CCC(F)(F)CC1 ZINC000459330450 203258766 /nfs/dbraw/zinc/25/87/66/203258766.db2.gz SVJSAPAQQIOPOW-NSHDSACASA-N 0 3 244.329 3.293 20 30 BGEDHN C=C1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000459354201 203263185 /nfs/dbraw/zinc/26/31/85/203263185.db2.gz SBDVDACBZROIFF-UHFFFAOYSA-N 0 3 229.314 3.464 20 30 BGEDHN CCN(CCC#N)CC1CCC(F)(F)CC1 ZINC000459356495 203269424 /nfs/dbraw/zinc/26/94/24/203269424.db2.gz LABQNQXJXCUGMW-UHFFFAOYSA-N 0 3 230.302 3.047 20 30 BGEDHN C[C@@H](CC#N)N(C)CC1CCC(F)(F)CC1 ZINC000459366141 203266624 /nfs/dbraw/zinc/26/66/24/203266624.db2.gz NDOGECGDVCPKOS-JTQLQIEISA-N 0 3 230.302 3.046 20 30 BGEDHN C[C@H](CC#N)N(C)CC1CCC(F)(F)CC1 ZINC000459366143 203267936 /nfs/dbraw/zinc/26/79/36/203267936.db2.gz NDOGECGDVCPKOS-SNVBAGLBSA-N 0 3 230.302 3.046 20 30 BGEDHN C=CCCCCCN[C@@H]1CCC[C@@H]1C#N ZINC000459453003 203284382 /nfs/dbraw/zinc/28/43/82/203284382.db2.gz CDTVBETZZZBXLH-CHWSQXEVSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCCCCCN[C@H]1CCC[C@@H]1C#N ZINC000459453005 203283468 /nfs/dbraw/zinc/28/34/68/203283468.db2.gz CDTVBETZZZBXLH-OLZOCXBDSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCCCCCN[C@@H]1CCC[C@H]1C#N ZINC000459453007 203283395 /nfs/dbraw/zinc/28/33/95/203283395.db2.gz CDTVBETZZZBXLH-QWHCGFSZSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCCCCCN[C@H]1CCC[C@H]1C#N ZINC000459453008 203283413 /nfs/dbraw/zinc/28/34/13/203283413.db2.gz CDTVBETZZZBXLH-STQMWFEESA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCCC[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000459463798 206126770 /nfs/dbraw/zinc/12/67/70/206126770.db2.gz LTEBPHYOAQOQQZ-GFCCVEGCSA-N 0 3 245.370 3.188 20 30 BGEDHN C=CCCC[C@H](C)NCc1cnc(C2CC2)nc1 ZINC000459463803 206127109 /nfs/dbraw/zinc/12/71/09/206127109.db2.gz LTEBPHYOAQOQQZ-LBPRGKRZSA-N 0 3 245.370 3.188 20 30 BGEDHN CCC(C)(C)CCN[C@H]1CCC[C@@H]1C#N ZINC000459465628 206128661 /nfs/dbraw/zinc/12/86/61/206128661.db2.gz NOBHMCQYSBZDEE-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC(C)(C)CCN[C@@H]1CCC[C@H]1C#N ZINC000459465629 206129514 /nfs/dbraw/zinc/12/95/14/206129514.db2.gz NOBHMCQYSBZDEE-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC(C)(C)CCN[C@H]1CCC[C@H]1C#N ZINC000459465630 206128809 /nfs/dbraw/zinc/12/88/09/206128809.db2.gz NOBHMCQYSBZDEE-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC(C)(C)CCN[C@@H]1CCC[C@@H]1C#N ZINC000459465631 206127495 /nfs/dbraw/zinc/12/74/95/206127495.db2.gz NOBHMCQYSBZDEE-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H](CC#N)NC1CC(C(C)(C)C)C1 ZINC000459476921 203286671 /nfs/dbraw/zinc/28/66/71/203286671.db2.gz HVEPFRCPUHIZIC-CXQJBGSLSA-N 0 3 208.349 3.093 20 30 BGEDHN CC[C@H](CC#N)NC1CC(C(C)(C)C)C1 ZINC000459476922 203286947 /nfs/dbraw/zinc/28/69/47/203286947.db2.gz 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C=CCC[C@H](CCC)N[C@H](C)c1ccn(C)n1 ZINC000459759865 203357608 /nfs/dbraw/zinc/35/76/08/203357608.db2.gz RKTYCDVLDPQJTC-OLZOCXBDSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1ccn(C)n1 ZINC000459759867 203359653 /nfs/dbraw/zinc/35/96/53/203359653.db2.gz RKTYCDVLDPQJTC-QWHCGFSZSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCC[C@H](CCC)N[C@@H](C)c1ccn(C)n1 ZINC000459759868 203359127 /nfs/dbraw/zinc/35/91/27/203359127.db2.gz RKTYCDVLDPQJTC-STQMWFEESA-N 0 3 235.375 3.206 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CCC1)C1CCC1 ZINC000459801717 203372494 /nfs/dbraw/zinc/37/24/94/203372494.db2.gz LQWJZQVZOOSHDQ-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CCC[C@H](NCC1(C#N)CCC1)C1CCC1 ZINC000459801718 203372703 /nfs/dbraw/zinc/37/27/03/203372703.db2.gz LQWJZQVZOOSHDQ-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN C=C(C)CN1CCN(c2ccccc2)C[C@@H]1CC ZINC000461367845 388260409 /nfs/dbraw/zinc/26/04/09/388260409.db2.gz UYGGWZNKNDJPKB-HNNXBMFYSA-N 0 3 244.382 3.163 20 30 BGEDHN C=C(C)CN1CCN(c2ccccc2)C[C@H]1CC ZINC000461367846 388260471 /nfs/dbraw/zinc/26/04/71/388260471.db2.gz UYGGWZNKNDJPKB-OAHLLOKOSA-N 0 3 244.382 3.163 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1ccc(F)cn1 ZINC000461895975 388262688 /nfs/dbraw/zinc/26/26/88/388262688.db2.gz SDYYQFYZIFHYEP-CYBMUJFWSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCC[C@H](CCC)NCc1ccc(F)cn1 ZINC000461896001 388262780 /nfs/dbraw/zinc/26/27/80/388262780.db2.gz SDYYQFYZIFHYEP-ZDUSSCGKSA-N 0 3 236.334 3.445 20 30 BGEDHN CC#CCCN(Cc1cccc(F)c1)C(C)C ZINC000462313884 388265275 /nfs/dbraw/zinc/26/52/75/388265275.db2.gz JXRVARUKKNPNKC-UHFFFAOYSA-N 0 3 233.330 3.450 20 30 BGEDHN CC#CCCN(Cc1ccccc1F)C(C)C ZINC000462314620 388265846 /nfs/dbraw/zinc/26/58/46/388265846.db2.gz OGJFSEQIBOKHJH-UHFFFAOYSA-N 0 3 233.330 3.450 20 30 BGEDHN CC#CCCN(C)Cc1ccc(CC)cc1 ZINC000462315877 388265333 /nfs/dbraw/zinc/26/53/33/388265333.db2.gz RHGCVYNABSLRJY-UHFFFAOYSA-N 0 3 215.340 3.094 20 30 BGEDHN CC#CCCN1CCSC2(CCCCC2)C1 ZINC000462318657 388265702 /nfs/dbraw/zinc/26/57/02/388265702.db2.gz PCMPQYFDPFWLDX-UHFFFAOYSA-N 0 3 237.412 3.152 20 30 BGEDHN CC#CCCN(Cc1ccccc1C)C1CC1 ZINC000462319167 388265567 /nfs/dbraw/zinc/26/55/67/388265567.db2.gz USYLJDHYUSSSSI-UHFFFAOYSA-N 0 3 227.351 3.373 20 30 BGEDHN CC#CCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000462319364 388265349 /nfs/dbraw/zinc/26/53/49/388265349.db2.gz XTEJSOVVCSUIOG-AWEZNQCLSA-N 0 3 231.314 3.028 20 30 BGEDHN CC#CCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000462319365 388265391 /nfs/dbraw/zinc/26/53/91/388265391.db2.gz XTEJSOVVCSUIOG-CQSZACIVSA-N 0 3 231.314 3.028 20 30 BGEDHN CC#CCCN(CCOC)[C@@H](C)c1ccccc1 ZINC000462326842 388266463 /nfs/dbraw/zinc/26/64/63/388266463.db2.gz MFQXVSZMQKJFLM-HNNXBMFYSA-N 0 3 245.366 3.109 20 30 BGEDHN CC#CCCN(CCOC)[C@H](C)c1ccccc1 ZINC000462326843 388266210 /nfs/dbraw/zinc/26/62/10/388266210.db2.gz MFQXVSZMQKJFLM-OAHLLOKOSA-N 0 3 245.366 3.109 20 30 BGEDHN CC#CCCN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000462329296 388266538 /nfs/dbraw/zinc/26/65/38/388266538.db2.gz 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C=CCCCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000464836133 388105577 /nfs/dbraw/zinc/10/55/77/388105577.db2.gz VTAFFYFCHHJNAM-ZBFHGGJFSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCN(C)CC#Cc1ccccc1Cl ZINC000467284747 527318347 /nfs/dbraw/zinc/31/83/47/527318347.db2.gz VIXSXGDIOAAPSW-UHFFFAOYSA-N 0 3 233.742 3.199 20 30 BGEDHN C=CCCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000467286290 527323835 /nfs/dbraw/zinc/32/38/35/527323835.db2.gz RXEDSRGRDMJHCO-GFCCVEGCSA-N 0 3 248.326 3.472 20 30 BGEDHN C=CCCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000467286291 527324333 /nfs/dbraw/zinc/32/43/33/527324333.db2.gz RXEDSRGRDMJHCO-LBPRGKRZSA-N 0 3 248.326 3.472 20 30 BGEDHN C=CCCN(C)CC#Cc1cccc(Cl)c1 ZINC000467289025 527318364 /nfs/dbraw/zinc/31/83/64/527318364.db2.gz AVPFUOQWILWBSS-UHFFFAOYSA-N 0 3 233.742 3.199 20 30 BGEDHN C=CCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000467302164 527318848 /nfs/dbraw/zinc/31/88/48/527318848.db2.gz WPOGNLRNOWFAGP-UHFFFAOYSA-N 0 3 233.742 3.199 20 30 BGEDHN C=CCCN(C)Cc1ccccc1OCC1CC1 ZINC000467388935 527322359 /nfs/dbraw/zinc/32/23/59/527322359.db2.gz IWMAIYBEBAHFLV-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468035688 527141482 /nfs/dbraw/zinc/14/14/82/527141482.db2.gz AKCNOWRTBAGWGH-COPLHBTASA-N 0 3 249.329 3.450 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468035689 527140906 /nfs/dbraw/zinc/14/09/06/527140906.db2.gz AKCNOWRTBAGWGH-MISXGVKJSA-N 0 3 249.329 3.450 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468035690 527142873 /nfs/dbraw/zinc/14/28/73/527142873.db2.gz AKCNOWRTBAGWGH-MJVIPROJSA-N 0 3 249.329 3.450 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468035691 527140754 /nfs/dbraw/zinc/14/07/54/527140754.db2.gz AKCNOWRTBAGWGH-WDMOLILDSA-N 0 3 249.329 3.450 20 30 BGEDHN CCCCCN(C(=O)C(C)C#N)[C@H](C)CCC ZINC000468738526 528160896 /nfs/dbraw/zinc/16/08/96/528160896.db2.gz MFUXUKXQPWEPKU-CHWSQXEVSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCCCN(C(=O)C(C)C#N)[C@@H](C)CCC ZINC000468738527 528160821 /nfs/dbraw/zinc/16/08/21/528160821.db2.gz MFUXUKXQPWEPKU-OLZOCXBDSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCCCN(C(=O)C(C)C#N)[C@H](C)CCC ZINC000468738528 528160986 /nfs/dbraw/zinc/16/09/86/528160986.db2.gz MFUXUKXQPWEPKU-QWHCGFSZSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCCCN(C(=O)C(C)C#N)[C@@H](C)CCC ZINC000468738529 528161111 /nfs/dbraw/zinc/16/11/11/528161111.db2.gz MFUXUKXQPWEPKU-STQMWFEESA-N 0 3 238.375 3.353 20 30 BGEDHN C=CC1CCN(CCc2ccccc2F)CC1 ZINC000469265706 526978433 /nfs/dbraw/zinc/97/84/33/526978433.db2.gz BLAZIJJEWSLULO-UHFFFAOYSA-N 0 3 233.330 3.266 20 30 BGEDHN C=C1CCN(Cc2cccc(CC)c2)CC1 ZINC000469600236 526904525 /nfs/dbraw/zinc/90/45/25/526904525.db2.gz FZISJQXAKBMDEE-UHFFFAOYSA-N 0 3 215.340 3.401 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(CC)c1 ZINC000469776367 526503400 /nfs/dbraw/zinc/50/34/00/526503400.db2.gz RBALVZXZSWWWHN-UHFFFAOYSA-N 0 3 203.329 3.257 20 30 BGEDHN C=CCN(Cc1cccc(CC)c1)C1CC1 ZINC000469786556 526346215 /nfs/dbraw/zinc/34/62/15/526346215.db2.gz OJZKJSUEHHMGPV-UHFFFAOYSA-N 0 3 215.340 3.399 20 30 BGEDHN C=CCN(C)C/C=C\c1ccc(Cl)cc1 ZINC000469799339 527572043 /nfs/dbraw/zinc/57/20/43/527572043.db2.gz WERJQXJJKSZTSW-PLNGDYQASA-N 0 3 221.731 3.471 20 30 BGEDHN C=CCN(C)C/C=C/c1ccc(Cl)cc1 ZINC000469799340 527572623 /nfs/dbraw/zinc/57/26/23/527572623.db2.gz WERJQXJJKSZTSW-SNAWJCMRSA-N 0 3 221.731 3.471 20 30 BGEDHN CC(C)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000469980421 527778166 /nfs/dbraw/zinc/77/81/66/527778166.db2.gz DSUZSSTYPSCFGR-HNNXBMFYSA-N 0 3 242.366 3.426 20 30 BGEDHN CC(C)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000469980427 528667502 /nfs/dbraw/zinc/66/75/02/528667502.db2.gz DSUZSSTYPSCFGR-OAHLLOKOSA-N 0 3 242.366 3.426 20 30 BGEDHN C=CCN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470204370 527573535 /nfs/dbraw/zinc/57/35/35/527573535.db2.gz VJESVRPXNIREGS-FMIVXFBMSA-N 0 3 246.310 3.116 20 30 BGEDHN C=CCN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470204371 527573027 /nfs/dbraw/zinc/57/30/27/527573027.db2.gz VJESVRPXNIREGS-XFXZXTDPSA-N 0 3 246.310 3.116 20 30 BGEDHN C=C(C)CN(CCOC(C)C)Cc1ccccc1 ZINC000470910669 526553279 /nfs/dbraw/zinc/55/32/79/526553279.db2.gz JZYOCJCJPXIEJE-UHFFFAOYSA-N 0 3 247.382 3.490 20 30 BGEDHN C=C(C)CN(CCCF)Cc1ccccc1 ZINC000470911237 526550698 /nfs/dbraw/zinc/55/06/98/526550698.db2.gz RFQQIEPKEMYTIU-UHFFFAOYSA-N 0 3 221.319 3.424 20 30 BGEDHN C=C(C)CN(CCC#CC)Cc1ccccc1 ZINC000470913151 526551056 /nfs/dbraw/zinc/55/10/56/526551056.db2.gz MMGKOSCRDYUWRV-UHFFFAOYSA-N 0 3 227.351 3.478 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000470924652 527275575 /nfs/dbraw/zinc/27/55/75/527275575.db2.gz YTUMSWKVGCICJW-GUTXKFCHSA-N 0 3 237.387 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000470924653 527275372 /nfs/dbraw/zinc/27/53/72/527275372.db2.gz YTUMSWKVGCICJW-GZBFAFLISA-N 0 3 237.387 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000470924654 527275404 /nfs/dbraw/zinc/27/54/04/527275404.db2.gz YTUMSWKVGCICJW-KCQAQPDRSA-N 0 3 237.387 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000470924655 527275929 /nfs/dbraw/zinc/27/59/29/527275929.db2.gz YTUMSWKVGCICJW-YDHLFZDLSA-N 0 3 237.387 3.231 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000470932259 527135701 /nfs/dbraw/zinc/13/57/01/527135701.db2.gz PQIYJXUIMLAULT-DZGCQCFKSA-N 0 3 237.387 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000470932260 527134264 /nfs/dbraw/zinc/13/42/64/527134264.db2.gz PQIYJXUIMLAULT-HIFRSBDPSA-N 0 3 237.387 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000470932261 527133594 /nfs/dbraw/zinc/13/35/94/527133594.db2.gz PQIYJXUIMLAULT-UKRRQHHQSA-N 0 3 237.387 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000470932262 527136826 /nfs/dbraw/zinc/13/68/26/527136826.db2.gz PQIYJXUIMLAULT-ZFWWWQNUSA-N 0 3 237.387 3.232 20 30 BGEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470938967 526851870 /nfs/dbraw/zinc/85/18/70/526851870.db2.gz AXMAHBMUBBSVMB-NXEZZACHSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470938968 526854468 /nfs/dbraw/zinc/85/44/68/526854468.db2.gz AXMAHBMUBBSVMB-UWVGGRQHSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470938969 526852197 /nfs/dbraw/zinc/85/21/97/526852197.db2.gz AXMAHBMUBBSVMB-VHSXEESVSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470938970 526854400 /nfs/dbraw/zinc/85/44/00/526854400.db2.gz AXMAHBMUBBSVMB-ZJUUUORDSA-N 0 3 221.266 3.225 20 30 BGEDHN CCN(CCCC1CCCC1)C[C@H](C)C#N ZINC000470970264 528431275 /nfs/dbraw/zinc/43/12/75/528431275.db2.gz VUWUQWGDJMMPRS-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN CCN(CCCC1CCCC1)C[C@@H](C)C#N ZINC000470970265 528431412 /nfs/dbraw/zinc/43/14/12/528431412.db2.gz VUWUQWGDJMMPRS-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN CCC(C)(C)N(C)CC#Cc1ccc(F)cc1 ZINC000471023531 528539082 /nfs/dbraw/zinc/53/90/82/528539082.db2.gz UPLROFIIALMEPN-UHFFFAOYSA-N 0 3 233.330 3.298 20 30 BGEDHN CC#CCN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471023713 526365224 /nfs/dbraw/zinc/36/52/24/526365224.db2.gz VJWUXMHHUAWHTL-HNNXBMFYSA-N 0 3 227.351 3.116 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471023714 526363826 /nfs/dbraw/zinc/36/38/26/526363826.db2.gz VJWUXMHHUAWHTL-OAHLLOKOSA-N 0 3 227.351 3.116 20 30 BGEDHN CCC(C)(C)N(C)CC#Cc1ccccc1 ZINC000471026442 528538725 /nfs/dbraw/zinc/53/87/25/528538725.db2.gz XJXJTBOEMRBPGA-UHFFFAOYSA-N 0 3 215.340 3.159 20 30 BGEDHN C=C[C@@H](C)NCc1cc2c(ccc(C)c2C)[nH]1 ZINC000472038315 527414774 /nfs/dbraw/zinc/41/47/74/527414774.db2.gz NIMDCDKHLUJGGO-LLVKDONJSA-N 0 3 228.339 3.449 20 30 BGEDHN C=C[C@H](C)NCc1cc2c(ccc(C)c2C)[nH]1 ZINC000472038316 527570411 /nfs/dbraw/zinc/57/04/11/527570411.db2.gz NIMDCDKHLUJGGO-NSHDSACASA-N 0 3 228.339 3.449 20 30 BGEDHN Cc1cc(C)c(CN[C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000472135254 225092508 /nfs/dbraw/zinc/09/25/08/225092508.db2.gz WOUXDVVTUNOOGY-CABCVRRESA-N 0 3 242.366 3.394 20 30 BGEDHN Cc1cc(C)c(CN[C@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000472135255 225093325 /nfs/dbraw/zinc/09/33/25/225093325.db2.gz WOUXDVVTUNOOGY-GJZGRUSLSA-N 0 3 242.366 3.394 20 30 BGEDHN Cc1cc(C)c(CN[C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000472135256 225093404 /nfs/dbraw/zinc/09/34/04/225093404.db2.gz WOUXDVVTUNOOGY-HUUCEWRRSA-N 0 3 242.366 3.394 20 30 BGEDHN CC#CCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472333641 526364297 /nfs/dbraw/zinc/36/42/97/526364297.db2.gz DJUXNFOTCPLNOR-DOMZBBRYSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472333642 526365069 /nfs/dbraw/zinc/36/50/69/526365069.db2.gz DJUXNFOTCPLNOR-IUODEOHRSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472333643 526364816 /nfs/dbraw/zinc/36/48/16/526364816.db2.gz DJUXNFOTCPLNOR-SWLSCSKDSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472333644 526364846 /nfs/dbraw/zinc/36/48/46/526364846.db2.gz DJUXNFOTCPLNOR-WFASDCNBSA-N 0 3 231.314 3.232 20 30 BGEDHN C=CCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350108 526455489 /nfs/dbraw/zinc/45/54/89/526455489.db2.gz NNDDVGURTOUUGH-BXUZGUMPSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472350460 526488457 /nfs/dbraw/zinc/48/84/57/526488457.db2.gz NNDDVGURTOUUGH-FZMZJTMJSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472350461 526457048 /nfs/dbraw/zinc/45/70/48/526457048.db2.gz NNDDVGURTOUUGH-RISCZKNCSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350462 526488031 /nfs/dbraw/zinc/48/80/31/526488031.db2.gz NNDDVGURTOUUGH-SMDDNHRTSA-N 0 3 219.303 3.395 20 30 BGEDHN C=CCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472923081 526415050 /nfs/dbraw/zinc/41/50/50/526415050.db2.gz CWBMWRVQABSJLU-UHFFFAOYSA-N 0 3 243.350 3.360 20 30 BGEDHN CC#CCN(Cc1ccc(F)cc1)C(C)(C)C ZINC000474151100 526362129 /nfs/dbraw/zinc/36/21/29/526362129.db2.gz DJQFUCZXXMTYKI-UHFFFAOYSA-N 0 3 233.330 3.450 20 30 BGEDHN CC#CCN1CCC[C@H]1c1cc(C)ccc1C ZINC000474234124 526362987 /nfs/dbraw/zinc/36/29/87/526362987.db2.gz RMWGHZJVKBWRHR-INIZCTEOSA-N 0 3 227.351 3.464 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234128 526362254 /nfs/dbraw/zinc/36/22/54/526362254.db2.gz RMWGHZJVKBWRHR-MRXNPFEDSA-N 0 3 227.351 3.464 20 30 BGEDHN C=CCCN(C)Cc1c(F)cccc1CC ZINC000475085197 527320993 /nfs/dbraw/zinc/32/09/93/527320993.db2.gz DWSYSGBDHVORMY-UHFFFAOYSA-N 0 3 221.319 3.396 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000475152616 528652681 /nfs/dbraw/zinc/65/26/81/528652681.db2.gz AQGBOJXHDVLJQM-ILXRZTDVSA-N 0 3 247.386 3.234 20 30 BGEDHN CC(C)[C@@H]1CCCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000475152617 528654766 /nfs/dbraw/zinc/65/47/66/528654766.db2.gz AQGBOJXHDVLJQM-QLFBSQMISA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000475159076 533817720 /nfs/dbraw/zinc/81/77/20/533817720.db2.gz WMMOXPPRGCNPTH-GRYCIOLGSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000475159081 225128840 /nfs/dbraw/zinc/12/88/40/225128840.db2.gz WMMOXPPRGCNPTH-IJLUTSLNSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000475159082 225129380 /nfs/dbraw/zinc/12/93/80/225129380.db2.gz WMMOXPPRGCNPTH-UTUOFQBUSA-N 0 3 248.395 3.486 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(C#N)s2)C1 ZINC000475159083 225129233 /nfs/dbraw/zinc/12/92/33/225129233.db2.gz WMMOXPPRGCNPTH-WOPDTQHZSA-N 0 3 248.395 3.486 20 30 BGEDHN C=C(CC)CN(C)[C@H](COC)Cc1ccccc1 ZINC000475735001 526850706 /nfs/dbraw/zinc/85/07/06/526850706.db2.gz AIJXOLGDKCERHM-INIZCTEOSA-N 0 3 247.382 3.142 20 30 BGEDHN C=C(CC)CN(C)[C@@H](COC)Cc1ccccc1 ZINC000475735002 526851119 /nfs/dbraw/zinc/85/11/19/526851119.db2.gz AIJXOLGDKCERHM-MRXNPFEDSA-N 0 3 247.382 3.142 20 30 BGEDHN C=C(C)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000476294137 526576543 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LRJUYTQVWNZRJA-UHFFFAOYSA-N 0 3 247.382 3.321 20 30 BGEDHN C=CCN(CCC1CC1)Cc1ccc(OC)cc1 ZINC000480513204 526272935 /nfs/dbraw/zinc/27/29/35/526272935.db2.gz YMEBZFCNIBTCRO-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=C(C)CN(CC)CCC(=O)c1ccc(C)cc1 ZINC000480533665 526547459 /nfs/dbraw/zinc/54/74/59/526547459.db2.gz URQXYKUCUVWEDF-UHFFFAOYSA-N 0 3 245.366 3.466 20 30 BGEDHN CC#CCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000480552248 526364751 /nfs/dbraw/zinc/36/47/51/526364751.db2.gz LNJPIGUIHUNEHT-DOMZBBRYSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000480552254 526363909 /nfs/dbraw/zinc/36/39/09/526363909.db2.gz LNJPIGUIHUNEHT-IUODEOHRSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000480552255 526363669 /nfs/dbraw/zinc/36/36/69/526363669.db2.gz LNJPIGUIHUNEHT-SWLSCSKDSA-N 0 3 231.314 3.232 20 30 BGEDHN CC#CCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000480552256 526363921 /nfs/dbraw/zinc/36/39/21/526363921.db2.gz LNJPIGUIHUNEHT-WFASDCNBSA-N 0 3 231.314 3.232 20 30 BGEDHN C=C(C)CN(C)Cc1cc(C)ccc1C ZINC000481235763 526502454 /nfs/dbraw/zinc/50/24/54/526502454.db2.gz XEVBEGNXJSXDLN-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN C=C(C)CN(C)CCO[C@H]1CCCC[C@@H]1C ZINC000481257646 526503373 /nfs/dbraw/zinc/50/33/73/526503373.db2.gz NLZIFUJQIKQMLG-KBPBESRZSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(C)CN(C)CCO[C@H]1CCCC[C@H]1C ZINC000481257647 526503443 /nfs/dbraw/zinc/50/34/43/526503443.db2.gz NLZIFUJQIKQMLG-KGLIPLIRSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(C)CN(C)CCO[C@@H]1CCCC[C@@H]1C ZINC000481257649 526501962 /nfs/dbraw/zinc/50/19/62/526501962.db2.gz NLZIFUJQIKQMLG-UONOGXRCSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(C)CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000481257650 526503145 /nfs/dbraw/zinc/50/31/45/526503145.db2.gz NLZIFUJQIKQMLG-ZIAGYGMSSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(C)CN(C)Cc1cc(C)cc(C)c1 ZINC000481258384 526503304 /nfs/dbraw/zinc/50/33/04/526503304.db2.gz ONMCKXASRUMNLU-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN C=C(C)CN(C)CCOc1cc(C)ccc1C ZINC000481265617 526501831 /nfs/dbraw/zinc/50/18/31/526501831.db2.gz BALOXOMVYXLSIS-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN C=C(C)CN(C)CCOc1cccc(CC)c1 ZINC000481267993 526502427 /nfs/dbraw/zinc/50/24/27/526502427.db2.gz ISRAHLOCPCQHGS-UHFFFAOYSA-N 0 3 233.355 3.136 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccccc1 ZINC000481268028 526499847 /nfs/dbraw/zinc/49/98/47/526499847.db2.gz IXSPIJJHBQCQLM-YFHOEESVSA-N 0 3 201.313 3.208 20 30 BGEDHN C=C(C)CN(C)CCSc1ccccc1F ZINC000481272875 526501622 /nfs/dbraw/zinc/50/16/22/526501622.db2.gz XISICANFOXDBMS-UHFFFAOYSA-N 0 3 239.359 3.426 20 30 BGEDHN C=C(C)CN(C)CCOc1c(C)cccc1C ZINC000481289925 526502716 /nfs/dbraw/zinc/50/27/16/526502716.db2.gz VLTCDGSGKZCSGZ-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN C=C(C)CN(C)CCc1ccccc1Cl ZINC000481300911 526503021 /nfs/dbraw/zinc/50/30/21/526503021.db2.gz MNLVLQVIESQKOS-UHFFFAOYSA-N 0 3 223.747 3.390 20 30 BGEDHN C=C(C)CN(C)Cc1c(C)cccc1C ZINC000481316109 526503254 /nfs/dbraw/zinc/50/32/54/526503254.db2.gz KMEIORVKUPVPCZ-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN C=C(C)CN(C)CCSc1ccc(F)cc1 ZINC000481330913 526501411 /nfs/dbraw/zinc/50/14/11/526501411.db2.gz NWDNGMZEKFUZHW-UHFFFAOYSA-N 0 3 239.359 3.426 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000481395362 529337290 /nfs/dbraw/zinc/33/72/90/529337290.db2.gz AQDQUVRBTOTUJL-BBRMVZONSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000481395363 529341589 /nfs/dbraw/zinc/34/15/89/529341589.db2.gz AQDQUVRBTOTUJL-CJNGLKHVSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000481395364 529483277 /nfs/dbraw/zinc/48/32/77/529483277.db2.gz AQDQUVRBTOTUJL-CZUORRHYSA-N 0 3 245.341 3.298 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000481395365 529478194 /nfs/dbraw/zinc/47/81/94/529478194.db2.gz AQDQUVRBTOTUJL-XJKSGUPXSA-N 0 3 245.341 3.298 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@H](C(C)C)C1 ZINC000481497495 527275510 /nfs/dbraw/zinc/27/55/10/527275510.db2.gz QYHSTCZZVGUACN-KBPBESRZSA-N 0 3 225.376 3.088 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@H](C(C)C)C1 ZINC000481497497 527250742 /nfs/dbraw/zinc/25/07/42/527250742.db2.gz QYHSTCZZVGUACN-KGLIPLIRSA-N 0 3 225.376 3.088 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000481497499 527275655 /nfs/dbraw/zinc/27/56/55/527275655.db2.gz QYHSTCZZVGUACN-UONOGXRCSA-N 0 3 225.376 3.088 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000481497501 527251006 /nfs/dbraw/zinc/25/10/06/527251006.db2.gz QYHSTCZZVGUACN-ZIAGYGMSSA-N 0 3 225.376 3.088 20 30 BGEDHN C[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000481571706 225216948 /nfs/dbraw/zinc/21/69/48/225216948.db2.gz PORYNDYOVBFDNS-AWEZNQCLSA-N 0 3 245.341 3.299 20 30 BGEDHN C[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000481571707 225216410 /nfs/dbraw/zinc/21/64/10/225216410.db2.gz PORYNDYOVBFDNS-CQSZACIVSA-N 0 3 245.341 3.299 20 30 BGEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)o2)[C@H]1C ZINC000481821202 225219056 /nfs/dbraw/zinc/21/90/56/225219056.db2.gz DNMBJZOBDIPPTF-AGIUHOORSA-N 0 3 246.354 3.313 20 30 BGEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)o2)[C@H]1C ZINC000481821203 533855655 /nfs/dbraw/zinc/85/56/55/533855655.db2.gz DNMBJZOBDIPPTF-FRRDWIJNSA-N 0 3 246.354 3.313 20 30 BGEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)o2)[C@@H]1C ZINC000481821204 533855696 /nfs/dbraw/zinc/85/56/96/533855696.db2.gz DNMBJZOBDIPPTF-JHJVBQTASA-N 0 3 246.354 3.313 20 30 BGEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)o2)[C@@H]1C ZINC000481821205 225219064 /nfs/dbraw/zinc/21/90/64/225219064.db2.gz DNMBJZOBDIPPTF-UPJWGTAASA-N 0 3 246.354 3.313 20 30 BGEDHN CC#CCCNCc1ccccc1OCCCC ZINC000482157642 526338507 /nfs/dbraw/zinc/33/85/07/526338507.db2.gz MRIZDBKWWPQENY-UHFFFAOYSA-N 0 3 245.366 3.369 20 30 BGEDHN Cc1cc(CN2CCC(C)=C(C)C2)ccc1C#N ZINC000482456636 533592765 /nfs/dbraw/zinc/59/27/65/533592765.db2.gz IFHLQDTZTYPQJM-UHFFFAOYSA-N 0 3 240.350 3.409 20 30 BGEDHN CCN(CC#Cc1ccc(F)cc1)CC1CCC1 ZINC000483116087 527878631 /nfs/dbraw/zinc/87/86/31/527878631.db2.gz GDUBTNPVWRZBAB-UHFFFAOYSA-N 0 3 245.341 3.299 20 30 BGEDHN CCN(CC#Cc1ccccc1)CC1CCC1 ZINC000483118141 527878748 /nfs/dbraw/zinc/87/87/48/527878748.db2.gz KBGHVEZZQFUANB-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN C=CCN(CC=C)CC1(OC)CCCCC1 ZINC000483139662 527642605 /nfs/dbraw/zinc/64/26/05/527642605.db2.gz CIBRDDVNWJPBQW-UHFFFAOYSA-N 0 3 223.360 3.010 20 30 BGEDHN C=CCNC(C)(C)c1ccc(OCCC)cc1 ZINC000483265584 526664294 /nfs/dbraw/zinc/66/42/94/526664294.db2.gz UFVARRYVEOMVJE-UHFFFAOYSA-N 0 3 233.355 3.486 20 30 BGEDHN CC#CCNC(C)(C)c1ccc(OCCC)cc1 ZINC000483269606 526383209 /nfs/dbraw/zinc/38/32/09/526383209.db2.gz HTARPWHCPDUFJX-UHFFFAOYSA-N 0 3 245.366 3.323 20 30 BGEDHN C(#Cc1ccccc1)CN(CC1CC1)C1CCC1 ZINC000483310238 527464567 /nfs/dbraw/zinc/46/45/67/527464567.db2.gz WEKTWOVQXVKAOK-UHFFFAOYSA-N 0 3 239.362 3.303 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCC2CC2)cc1 ZINC000483312115 526503042 /nfs/dbraw/zinc/50/30/42/526503042.db2.gz RRFREXMFZBHHGX-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=C(C)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483400046 526608242 /nfs/dbraw/zinc/60/82/42/526608242.db2.gz CMZVBUJRLJNDEB-HNNXBMFYSA-N 0 3 233.330 3.365 20 30 BGEDHN C=C(C)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483400047 526608226 /nfs/dbraw/zinc/60/82/26/526608226.db2.gz CMZVBUJRLJNDEB-OAHLLOKOSA-N 0 3 233.330 3.365 20 30 BGEDHN C=CCN(CCOC)C/C(C)=C\c1ccccc1 ZINC000483410949 526298321 /nfs/dbraw/zinc/29/83/21/526298321.db2.gz CPSCWMHPXFUXKG-SQFISAMPSA-N 0 3 245.366 3.224 20 30 BGEDHN CC#CCCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411289 526310725 /nfs/dbraw/zinc/31/07/25/526310725.db2.gz AYSDHAHVDGKBBB-INIZCTEOSA-N 0 3 245.341 3.203 20 30 BGEDHN CC#CCCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411294 526310707 /nfs/dbraw/zinc/31/07/07/526310707.db2.gz AYSDHAHVDGKBBB-MRXNPFEDSA-N 0 3 245.341 3.203 20 30 BGEDHN C=CCN(CCOC)C[C@H](CC)c1ccccc1 ZINC000483422891 526299809 /nfs/dbraw/zinc/29/98/09/526299809.db2.gz RUHTXHDKGXPDAC-HNNXBMFYSA-N 0 3 247.382 3.315 20 30 BGEDHN C=CCN(CCOC)C[C@@H](CC)c1ccccc1 ZINC000483422892 526299946 /nfs/dbraw/zinc/29/99/46/526299946.db2.gz RUHTXHDKGXPDAC-OAHLLOKOSA-N 0 3 247.382 3.315 20 30 BGEDHN C=CCN(CCOC)Cc1cc(C)c(C)cc1C ZINC000483433205 526300831 /nfs/dbraw/zinc/30/08/31/526300831.db2.gz TVWBSISNHSRYIS-UHFFFAOYSA-N 0 3 247.382 3.246 20 30 BGEDHN CCC[C@H](C)N(C)CC#Cc1ccccc1 ZINC000483519350 528045736 /nfs/dbraw/zinc/04/57/36/528045736.db2.gz OVGHOOKNBVCAPH-AWEZNQCLSA-N 0 3 215.340 3.159 20 30 BGEDHN CCC[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000483519351 528886693 /nfs/dbraw/zinc/88/66/93/528886693.db2.gz OVGHOOKNBVCAPH-CQSZACIVSA-N 0 3 215.340 3.159 20 30 BGEDHN CCCCN(CC#Cc1ccccc1)C1CC1 ZINC000483527165 528374654 /nfs/dbraw/zinc/37/46/54/528374654.db2.gz BVOQFUIKJYTPOX-UHFFFAOYSA-N 0 3 227.351 3.303 20 30 BGEDHN CC(C)[C@H](C)N(C)CC#Cc1ccccc1 ZINC000483531875 528958273 /nfs/dbraw/zinc/95/82/73/528958273.db2.gz UUZLDHONZFWEHW-AWEZNQCLSA-N 0 3 215.340 3.014 20 30 BGEDHN CC(C)[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000483531876 528406691 /nfs/dbraw/zinc/40/66/91/528406691.db2.gz UUZLDHONZFWEHW-CQSZACIVSA-N 0 3 215.340 3.014 20 30 BGEDHN CC(C)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000483542333 528674556 /nfs/dbraw/zinc/67/45/56/528674556.db2.gz VTRXRSCUTLWYIK-INIZCTEOSA-N 0 3 227.351 3.159 20 30 BGEDHN CC(C)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000483542334 527782744 /nfs/dbraw/zinc/78/27/44/527782744.db2.gz VTRXRSCUTLWYIK-MRXNPFEDSA-N 0 3 227.351 3.159 20 30 BGEDHN CC1(C)CCN(CC#Cc2ccccc2)CC1 ZINC000483569301 529008926 /nfs/dbraw/zinc/00/89/26/529008926.db2.gz ULDNYHPIICCTJI-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN CN(CC#Cc1ccccc1)CC(C)(C)C ZINC000483579164 529823333 /nfs/dbraw/zinc/82/33/33/529823333.db2.gz FTOXGYOJBSFHBZ-UHFFFAOYSA-N 0 3 215.340 3.016 20 30 BGEDHN C[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000483587259 225245345 /nfs/dbraw/zinc/24/53/45/225245345.db2.gz BXDMJLYSQHUWKB-HNNXBMFYSA-N 0 3 227.351 3.160 20 30 BGEDHN C[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000483587261 533679219 /nfs/dbraw/zinc/67/92/19/533679219.db2.gz BXDMJLYSQHUWKB-OAHLLOKOSA-N 0 3 227.351 3.160 20 30 BGEDHN C[C@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000483683829 225245662 /nfs/dbraw/zinc/24/56/62/225245662.db2.gz LQRIIROJDUXSGO-HNNXBMFYSA-N 0 3 241.378 3.406 20 30 BGEDHN C[C@@H]1CCN(CC#Cc2ccccc2)CC1(C)C ZINC000483683831 534023047 /nfs/dbraw/zinc/02/30/47/534023047.db2.gz LQRIIROJDUXSGO-OAHLLOKOSA-N 0 3 241.378 3.406 20 30 BGEDHN CCN(CC#Cc1ccccc1)CCC1CC1 ZINC000483697685 527879079 /nfs/dbraw/zinc/87/90/79/527879079.db2.gz JCUZMHVSSMKRJB-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN CC(C)(C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483710312 526732742 /nfs/dbraw/zinc/73/27/42/526732742.db2.gz LAWXQTXTAWSLNW-INIZCTEOSA-N 0 3 241.378 3.406 20 30 BGEDHN CC(C)(C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483710313 526671824 /nfs/dbraw/zinc/67/18/24/526671824.db2.gz LAWXQTXTAWSLNW-MRXNPFEDSA-N 0 3 241.378 3.406 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1CC#Cc1ccccc1 ZINC000483710454 529483406 /nfs/dbraw/zinc/48/34/06/529483406.db2.gz LYARKWVPUUMSQM-GDBMZVCRSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1CC#Cc1ccccc1 ZINC000483710455 529477809 /nfs/dbraw/zinc/47/78/09/529477809.db2.gz LYARKWVPUUMSQM-GOEBONIOSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1CC#Cc1ccccc1 ZINC000483710456 529337362 /nfs/dbraw/zinc/33/73/62/529337362.db2.gz LYARKWVPUUMSQM-HOCLYGCPSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1CC#Cc1ccccc1 ZINC000483710457 529341750 /nfs/dbraw/zinc/34/17/50/529341750.db2.gz LYARKWVPUUMSQM-ZBFHGGJFSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H]1CCCCCN1CC#Cc1ccccc1 ZINC000483711692 225244585 /nfs/dbraw/zinc/24/45/85/225244585.db2.gz LNZCJJKKQKKRMU-HNNXBMFYSA-N 0 3 227.351 3.303 20 30 BGEDHN C[C@@H]1CCCCCN1CC#Cc1ccccc1 ZINC000483712093 225245804 /nfs/dbraw/zinc/24/58/04/225245804.db2.gz LNZCJJKKQKKRMU-OAHLLOKOSA-N 0 3 227.351 3.303 20 30 BGEDHN C[C@@H]1CN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC000483722793 225246050 /nfs/dbraw/zinc/24/60/50/225246050.db2.gz JJDOUAFCJOWTJV-HNNXBMFYSA-N 0 3 241.378 3.406 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC000483722794 225246010 /nfs/dbraw/zinc/24/60/10/225246010.db2.gz JJDOUAFCJOWTJV-OAHLLOKOSA-N 0 3 241.378 3.406 20 30 BGEDHN C[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000483724133 225246775 /nfs/dbraw/zinc/24/67/75/225246775.db2.gz JTUNXTNEXJBXEJ-HNNXBMFYSA-N 0 3 227.351 3.160 20 30 BGEDHN C[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000483724134 225246570 /nfs/dbraw/zinc/24/65/70/225246570.db2.gz JTUNXTNEXJBXEJ-OAHLLOKOSA-N 0 3 227.351 3.160 20 30 BGEDHN CN(CC#Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000483725398 529823083 /nfs/dbraw/zinc/82/30/83/529823083.db2.gz IODBJJHUZUTWAG-KRWDZBQOSA-N 0 3 239.362 3.326 20 30 BGEDHN CN(CC#Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000483725444 529823037 /nfs/dbraw/zinc/82/30/37/529823037.db2.gz IODBJJHUZUTWAG-QGZVFWFLSA-N 0 3 239.362 3.326 20 30 BGEDHN CC[C@H](C)CN(CC)CC#Cc1ccccc1 ZINC000483929374 529657434 /nfs/dbraw/zinc/65/74/34/529657434.db2.gz VLQYKUACVWRRJL-HNNXBMFYSA-N 0 3 229.367 3.406 20 30 BGEDHN CC[C@@H](C)CN(CC)CC#Cc1ccccc1 ZINC000483929375 529318522 /nfs/dbraw/zinc/31/85/22/529318522.db2.gz VLQYKUACVWRRJL-OAHLLOKOSA-N 0 3 229.367 3.406 20 30 BGEDHN CC1(C)CCCN(CC#Cc2ccccc2)C1 ZINC000483932846 528932436 /nfs/dbraw/zinc/93/24/36/528932436.db2.gz VUAFNOCZDMYOAW-UHFFFAOYSA-N 0 3 227.351 3.160 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1CC#Cc1ccccc1 ZINC000483958267 529422948 /nfs/dbraw/zinc/42/29/48/529422948.db2.gz RGXDMDIHCRXISE-GDBMZVCRSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1CC#Cc1ccccc1 ZINC000483958270 529439265 /nfs/dbraw/zinc/43/92/65/529439265.db2.gz RGXDMDIHCRXISE-GOEBONIOSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1CC#Cc1ccccc1 ZINC000483958272 529325586 /nfs/dbraw/zinc/32/55/86/529325586.db2.gz RGXDMDIHCRXISE-HOCLYGCPSA-N 0 3 227.351 3.159 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1CC#Cc1ccccc1 ZINC000483958273 529316137 /nfs/dbraw/zinc/31/61/37/529316137.db2.gz RGXDMDIHCRXISE-ZBFHGGJFSA-N 0 3 227.351 3.159 20 30 BGEDHN CC(C)C1CCN(CC#Cc2ccccc2)CC1 ZINC000483959148 527651696 /nfs/dbraw/zinc/65/16/96/527651696.db2.gz RUODAHZIISQRGK-UHFFFAOYSA-N 0 3 241.378 3.406 20 30 BGEDHN CC[C@@]1(C)CCN(CC#Cc2ccccc2)C1 ZINC000483960613 529527309 /nfs/dbraw/zinc/52/73/09/529527309.db2.gz SVGFKLXNWVBJOU-INIZCTEOSA-N 0 3 227.351 3.160 20 30 BGEDHN CC[C@]1(C)CCN(CC#Cc2ccccc2)C1 ZINC000483960617 529400597 /nfs/dbraw/zinc/40/05/97/529400597.db2.gz SVGFKLXNWVBJOU-MRXNPFEDSA-N 0 3 227.351 3.160 20 30 BGEDHN CC(C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483965889 527800235 /nfs/dbraw/zinc/80/02/35/527800235.db2.gz RIXOOFZCZHJNOT-INIZCTEOSA-N 0 3 227.351 3.016 20 30 BGEDHN CC(C)[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483965890 528698400 /nfs/dbraw/zinc/69/84/00/528698400.db2.gz RIXOOFZCZHJNOT-MRXNPFEDSA-N 0 3 227.351 3.016 20 30 BGEDHN C[C@@H]1CN(CC#Cc2ccccc2)C(C)(C)C1 ZINC000483967895 225248446 /nfs/dbraw/zinc/24/84/46/225248446.db2.gz YOBOOUWCUFIYJY-AWEZNQCLSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H]1CN(CC#Cc2ccccc2)C(C)(C)C1 ZINC000483967896 225247898 /nfs/dbraw/zinc/24/78/98/225247898.db2.gz YOBOOUWCUFIYJY-CQSZACIVSA-N 0 3 227.351 3.159 20 30 BGEDHN CC(C)C[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483968204 528389146 /nfs/dbraw/zinc/38/91/46/528389146.db2.gz AVRFADZDUOBTEK-KRWDZBQOSA-N 0 3 241.378 3.406 20 30 BGEDHN CC(C)C[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483968205 528595923 /nfs/dbraw/zinc/59/59/23/528595923.db2.gz AVRFADZDUOBTEK-QGZVFWFLSA-N 0 3 241.378 3.406 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC#Cc2ccccc2)C1 ZINC000483973470 225248698 /nfs/dbraw/zinc/24/86/98/225248698.db2.gz IEQKYDJKHPOLLU-BZUAXINKSA-N 0 3 241.378 3.405 20 30 BGEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000483973473 225248743 /nfs/dbraw/zinc/24/87/43/225248743.db2.gz IEQKYDJKHPOLLU-OAGGEKHMSA-N 0 3 241.378 3.405 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC#Cc2ccccc2)C1 ZINC000483973476 533819090 /nfs/dbraw/zinc/81/90/90/533819090.db2.gz IEQKYDJKHPOLLU-OWCLPIDISA-N 0 3 241.378 3.405 20 30 BGEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000483973478 225248991 /nfs/dbraw/zinc/24/89/91/225248991.db2.gz IEQKYDJKHPOLLU-PMPSAXMXSA-N 0 3 241.378 3.405 20 30 BGEDHN C=C(CC)CN1CCc2cc(C)ccc2C1 ZINC000483984616 526854927 /nfs/dbraw/zinc/85/49/27/526854927.db2.gz YVIYOIDXSJPFKK-UHFFFAOYSA-N 0 3 215.340 3.319 20 30 BGEDHN CC(C)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000484020618 527776856 /nfs/dbraw/zinc/77/68/56/527776856.db2.gz UEGMSKNBQRRDEK-KRWDZBQOSA-N 0 3 241.378 3.406 20 30 BGEDHN CC(C)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000484020619 528665807 /nfs/dbraw/zinc/66/58/07/528665807.db2.gz UEGMSKNBQRRDEK-QGZVFWFLSA-N 0 3 241.378 3.406 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1CC#Cc1ccccc1 ZINC000484076531 529337766 /nfs/dbraw/zinc/33/77/66/529337766.db2.gz ZDYFTFXXPFQQGR-GDBMZVCRSA-N 0 3 227.351 3.301 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1CC#Cc1ccccc1 ZINC000484076532 529343507 /nfs/dbraw/zinc/34/35/07/529343507.db2.gz ZDYFTFXXPFQQGR-GOEBONIOSA-N 0 3 227.351 3.301 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1CC#Cc1ccccc1 ZINC000484076533 529253766 /nfs/dbraw/zinc/25/37/66/529253766.db2.gz ZDYFTFXXPFQQGR-HOCLYGCPSA-N 0 3 227.351 3.301 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1CC#Cc1ccccc1 ZINC000484076534 529249282 /nfs/dbraw/zinc/24/92/82/529249282.db2.gz ZDYFTFXXPFQQGR-ZBFHGGJFSA-N 0 3 227.351 3.301 20 30 BGEDHN C[C@@H](C1CCC1)N(C)CC#Cc1ccccc1 ZINC000484088883 533385848 /nfs/dbraw/zinc/38/58/48/533385848.db2.gz VXUUSKSMMWTQGT-AWEZNQCLSA-N 0 3 227.351 3.159 20 30 BGEDHN C[C@H](C1CCC1)N(C)CC#Cc1ccccc1 ZINC000484088884 533584776 /nfs/dbraw/zinc/58/47/76/533584776.db2.gz VXUUSKSMMWTQGT-CQSZACIVSA-N 0 3 227.351 3.159 20 30 BGEDHN C=CCN(CCCc1ccccc1C)CCOC ZINC000484557576 526275610 /nfs/dbraw/zinc/27/56/10/526275610.db2.gz LOWVKLXMKLPUFN-UHFFFAOYSA-N 0 3 247.382 3.062 20 30 BGEDHN C=CCN(CCCc1cccc(C)c1)CCOC ZINC000484585509 526275906 /nfs/dbraw/zinc/27/59/06/526275906.db2.gz QVDFYJUMCJDTMX-UHFFFAOYSA-N 0 3 247.382 3.062 20 30 BGEDHN C=CCN(CCCc1ccc(C)cc1)CCOC ZINC000484673849 526275696 /nfs/dbraw/zinc/27/56/96/526275696.db2.gz AVSHCIBLKIIUOR-UHFFFAOYSA-N 0 3 247.382 3.062 20 30 BGEDHN C=C(C)CN(C)Cc1cc(F)cc(Cl)c1 ZINC000485730138 526501803 /nfs/dbraw/zinc/50/18/03/526501803.db2.gz ZMPUVJVZZYXPSO-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCN(CC=C)CCCc1cccc(F)c1 ZINC000485739677 527642218 /nfs/dbraw/zinc/64/22/18/527642218.db2.gz SUMZTBVFQJYUFV-UHFFFAOYSA-N 0 3 233.330 3.432 20 30 BGEDHN C=C(C)CN1CCc2c(C)cc(C)cc2C1 ZINC000485881788 526608655 /nfs/dbraw/zinc/60/86/55/526608655.db2.gz NQNORVZGHOJEBK-UHFFFAOYSA-N 0 3 215.340 3.238 20 30 BGEDHN C[C@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000485882041 225259830 /nfs/dbraw/zinc/25/98/30/225259830.db2.gz NJVSKAWLHGNGEB-AWEZNQCLSA-N 0 3 245.341 3.442 20 30 BGEDHN C[C@@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000485882055 225260260 /nfs/dbraw/zinc/26/02/60/225260260.db2.gz NJVSKAWLHGNGEB-CQSZACIVSA-N 0 3 245.341 3.442 20 30 BGEDHN CC#CCCN1CCc2c(C)cc(C)cc2C1 ZINC000485888249 526309775 /nfs/dbraw/zinc/30/97/75/526309775.db2.gz KSBABOGZBOAKSC-UHFFFAOYSA-N 0 3 227.351 3.075 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000486737390 527134696 /nfs/dbraw/zinc/13/46/96/527134696.db2.gz KWFZVJMPBXGJBA-CYBMUJFWSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@H](C)OC(C)(C)C1 ZINC000486737392 527136703 /nfs/dbraw/zinc/13/67/03/527136703.db2.gz KWFZVJMPBXGJBA-ZDUSSCGKSA-N 0 3 225.376 3.232 20 30 BGEDHN CCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000486796571 527869551 /nfs/dbraw/zinc/86/95/51/527869551.db2.gz GYKQVWCWFNIFGD-UHFFFAOYSA-N 0 3 242.366 3.489 20 30 BGEDHN C=CCCCCCN1C[C@H](C)OC[C@@H]1CC ZINC000486805143 527135577 /nfs/dbraw/zinc/13/55/77/527135577.db2.gz VRDARFCKFWLBJV-KBPBESRZSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)OC[C@@H]1CC ZINC000486805145 527133824 /nfs/dbraw/zinc/13/38/24/527133824.db2.gz VRDARFCKFWLBJV-KGLIPLIRSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@H](C)OC[C@H]1CC ZINC000486805147 527136022 /nfs/dbraw/zinc/13/60/22/527136022.db2.gz VRDARFCKFWLBJV-UONOGXRCSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)OC[C@H]1CC ZINC000486805148 527133710 /nfs/dbraw/zinc/13/37/10/527133710.db2.gz VRDARFCKFWLBJV-ZIAGYGMSSA-N 0 3 225.376 3.232 20 30 BGEDHN Cc1cc(CN2CCCC(C)(C)C2)ccc1C#N ZINC000487899396 533599635 /nfs/dbraw/zinc/59/96/35/533599635.db2.gz VVJMFZONQABHPI-UHFFFAOYSA-N 0 3 242.366 3.489 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@@H](CC)C1 ZINC000487909757 527136768 /nfs/dbraw/zinc/13/67/68/527136768.db2.gz BNNXIQQPDJJJCU-KBPBESRZSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)O[C@@H](CC)C1 ZINC000487909758 527134651 /nfs/dbraw/zinc/13/46/51/527134651.db2.gz BNNXIQQPDJJJCU-KGLIPLIRSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](CC)O[C@@H](C)C1 ZINC000487909759 527135794 /nfs/dbraw/zinc/13/57/94/527135794.db2.gz BNNXIQQPDJJJCU-UONOGXRCSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1C[C@@H](C)O[C@H](CC)C1 ZINC000487909760 527135184 /nfs/dbraw/zinc/13/51/84/527135184.db2.gz BNNXIQQPDJJJCU-ZIAGYGMSSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000487916326 526980535 /nfs/dbraw/zinc/98/05/35/526980535.db2.gz RUDHOTWTKMJCJL-UHFFFAOYSA-N 0 3 240.350 3.265 20 30 BGEDHN Cc1cc(CN2CCCC3(CC3)C2)ccc1C#N ZINC000488003644 533600303 /nfs/dbraw/zinc/60/03/03/533600303.db2.gz TVRTUXBCTATRHY-UHFFFAOYSA-N 0 3 240.350 3.243 20 30 BGEDHN C=CCN(Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000488113927 526332506 /nfs/dbraw/zinc/33/25/06/526332506.db2.gz KKQFXYNJIGHVOE-UHFFFAOYSA-N 0 3 226.323 3.017 20 30 BGEDHN Cc1cc(CN2CC=C(C)CC2)ccc1C#N ZINC000488119787 533590506 /nfs/dbraw/zinc/59/05/06/533590506.db2.gz UHVDSDMXFHKXRN-UHFFFAOYSA-N 0 3 226.323 3.019 20 30 BGEDHN C=CCCCCCN1CCOCC12CCCC2 ZINC000488128943 527134021 /nfs/dbraw/zinc/13/40/21/527134021.db2.gz BLASTJPUZLNVFP-UHFFFAOYSA-N 0 3 237.387 3.378 20 30 BGEDHN C=CCCCCCN1CCO[C@@H](CCC)C1 ZINC000488143756 527134599 /nfs/dbraw/zinc/13/45/99/527134599.db2.gz GOVTWRZLOFHSJK-AWEZNQCLSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1CCO[C@H](CCC)C1 ZINC000488143757 527134814 /nfs/dbraw/zinc/13/48/14/527134814.db2.gz GOVTWRZLOFHSJK-CQSZACIVSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1CCOC[C@]1(C)CC ZINC000488146743 527133880 /nfs/dbraw/zinc/13/38/80/527133880.db2.gz IHGCFSGWHAATBE-AWEZNQCLSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1CCOC[C@@]1(C)CC ZINC000488146744 527134119 /nfs/dbraw/zinc/13/41/19/527134119.db2.gz IHGCFSGWHAATBE-CQSZACIVSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1CCOC(C)(C)[C@H]1C ZINC000488197091 527135168 /nfs/dbraw/zinc/13/51/68/527135168.db2.gz HBTSPPOBXZNEGN-CYBMUJFWSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1CCOC(C)(C)[C@@H]1C ZINC000488197092 527135053 /nfs/dbraw/zinc/13/50/53/527135053.db2.gz HBTSPPOBXZNEGN-ZDUSSCGKSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCCCCN1CCc2ccc(O)cc2C1 ZINC000488238662 527134800 /nfs/dbraw/zinc/13/48/00/527134800.db2.gz VLKXBYRNLFONQE-UHFFFAOYSA-N 0 3 245.366 3.497 20 30 BGEDHN C=CCCCCCN1CCOC2(CCCC2)C1 ZINC000488249322 527134889 /nfs/dbraw/zinc/13/48/89/527134889.db2.gz YRQZAGASRQSOPA-UHFFFAOYSA-N 0 3 237.387 3.378 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@@H]1C[C@H]1C ZINC000488309534 526377938 /nfs/dbraw/zinc/37/79/38/526377938.db2.gz DVFCYIJDJGLNLL-NEPJUHHUSA-N 0 3 221.369 3.392 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@H]1C[C@@H]1C ZINC000488309535 526377291 /nfs/dbraw/zinc/37/72/91/526377291.db2.gz DVFCYIJDJGLNLL-NWDGAFQWSA-N 0 3 221.369 3.392 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@@H]1C[C@@H]1C ZINC000488309536 526377114 /nfs/dbraw/zinc/37/71/14/526377114.db2.gz DVFCYIJDJGLNLL-RYUDHWBXSA-N 0 3 221.369 3.392 20 30 BGEDHN C=CCN(Cc1cccs1)C[C@H]1C[C@H]1C ZINC000488309537 526377546 /nfs/dbraw/zinc/37/75/46/526377546.db2.gz DVFCYIJDJGLNLL-VXGBXAGGSA-N 0 3 221.369 3.392 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1C[C@@H]1C ZINC000488311443 526346256 /nfs/dbraw/zinc/34/62/56/526346256.db2.gz ICPOTZWAIYUUMJ-BBRMVZONSA-N 0 3 240.350 3.202 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1C ZINC000488311444 526347306 /nfs/dbraw/zinc/34/73/06/526347306.db2.gz ICPOTZWAIYUUMJ-CJNGLKHVSA-N 0 3 240.350 3.202 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1C[C@H]1C ZINC000488311446 526347467 /nfs/dbraw/zinc/34/74/67/526347467.db2.gz ICPOTZWAIYUUMJ-CZUORRHYSA-N 0 3 240.350 3.202 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1C ZINC000488311448 526347319 /nfs/dbraw/zinc/34/73/19/526347319.db2.gz ICPOTZWAIYUUMJ-XJKSGUPXSA-N 0 3 240.350 3.202 20 30 BGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000488313051 533110819 /nfs/dbraw/zinc/11/08/19/533110819.db2.gz AGOALBPRCDMAKS-GXTWGEPZSA-N 0 3 248.370 3.107 20 30 BGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000488313052 533110378 /nfs/dbraw/zinc/11/03/78/533110378.db2.gz AGOALBPRCDMAKS-JSGCOSHPSA-N 0 3 248.370 3.107 20 30 BGEDHN CC(C#N)C(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000488313053 225369444 /nfs/dbraw/zinc/36/94/44/225369444.db2.gz AGOALBPRCDMAKS-OCCSQVGLSA-N 0 3 248.370 3.107 20 30 BGEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000488313054 225369943 /nfs/dbraw/zinc/36/99/43/225369943.db2.gz AGOALBPRCDMAKS-TZMCWYRMSA-N 0 3 248.370 3.107 20 30 BGEDHN C=CCCCCCN1CCO[C@H](C(C)C)C1 ZINC000488318589 527134960 /nfs/dbraw/zinc/13/49/60/527134960.db2.gz XMUYWVVXICHWOV-AWEZNQCLSA-N 0 3 225.376 3.090 20 30 BGEDHN C=CCCCCCN1CCO[C@@H](C(C)C)C1 ZINC000488318590 527133678 /nfs/dbraw/zinc/13/36/78/527133678.db2.gz XMUYWVVXICHWOV-CQSZACIVSA-N 0 3 225.376 3.090 20 30 BGEDHN C=CCN(Cc1ccccc1F)C[C@H]1C[C@@H]1C ZINC000488331406 526364167 /nfs/dbraw/zinc/36/41/67/526364167.db2.gz KAAPJKZKMWGZMY-GXTWGEPZSA-N 0 3 233.330 3.470 20 30 BGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1C[C@@H]1C ZINC000488331407 526364765 /nfs/dbraw/zinc/36/47/65/526364765.db2.gz KAAPJKZKMWGZMY-JSGCOSHPSA-N 0 3 233.330 3.470 20 30 BGEDHN C=CCN(Cc1ccccc1F)C[C@@H]1C[C@H]1C ZINC000488331409 526364928 /nfs/dbraw/zinc/36/49/28/526364928.db2.gz KAAPJKZKMWGZMY-OCCSQVGLSA-N 0 3 233.330 3.470 20 30 BGEDHN C=CCN(Cc1ccccc1F)C[C@H]1C[C@H]1C ZINC000488331411 526366040 /nfs/dbraw/zinc/36/60/40/526366040.db2.gz KAAPJKZKMWGZMY-TZMCWYRMSA-N 0 3 233.330 3.470 20 30 BGEDHN CCC(CC)CN(CCC#N)C[C@H]1C[C@@H]1C ZINC000488343476 528749559 /nfs/dbraw/zinc/74/95/59/528749559.db2.gz YJBXGMHZKKYVKQ-GXTWGEPZSA-N 0 3 222.376 3.294 20 30 BGEDHN CCC(CC)CN(CCC#N)C[C@@H]1C[C@@H]1C ZINC000488343477 528749883 /nfs/dbraw/zinc/74/98/83/528749883.db2.gz YJBXGMHZKKYVKQ-JSGCOSHPSA-N 0 3 222.376 3.294 20 30 BGEDHN CCC(CC)CN(CCC#N)C[C@@H]1C[C@H]1C ZINC000488343478 528750656 /nfs/dbraw/zinc/75/06/56/528750656.db2.gz YJBXGMHZKKYVKQ-OCCSQVGLSA-N 0 3 222.376 3.294 20 30 BGEDHN CCC(CC)CN(CCC#N)C[C@H]1C[C@H]1C ZINC000488343479 528749332 /nfs/dbraw/zinc/74/93/32/528749332.db2.gz YJBXGMHZKKYVKQ-TZMCWYRMSA-N 0 3 222.376 3.294 20 30 BGEDHN Cc1cc(CN2CCC(C)(C)C2)ccc1C#N ZINC000488436649 533594297 /nfs/dbraw/zinc/59/42/97/533594297.db2.gz UUMMQPUCGQSQER-UHFFFAOYSA-N 0 3 228.339 3.099 20 30 BGEDHN C=C(C)CN(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488521363 388183962 /nfs/dbraw/zinc/18/39/62/388183962.db2.gz XNCLQCCWFKEWDP-UHFFFAOYSA-N 0 3 232.302 3.315 20 30 BGEDHN C=CCCN(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488531301 388185166 /nfs/dbraw/zinc/18/51/66/388185166.db2.gz LSJUXBMNBMWHAL-UHFFFAOYSA-N 0 3 232.302 3.315 20 30 BGEDHN C=CCN(Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488548885 388185824 /nfs/dbraw/zinc/18/58/24/388185824.db2.gz VSVBKWDKMMPXLK-UHFFFAOYSA-N 0 3 244.313 3.457 20 30 BGEDHN C=CCCCCCN1CCO[C@@](C)(CC)C1 ZINC000488985705 388200677 /nfs/dbraw/zinc/20/06/77/388200677.db2.gz UXMIGTYURVTWTA-AWEZNQCLSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1CCO[C@](C)(CC)C1 ZINC000488985706 388201366 /nfs/dbraw/zinc/20/13/66/388201366.db2.gz UXMIGTYURVTWTA-CQSZACIVSA-N 0 3 225.376 3.234 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000488992242 388201224 /nfs/dbraw/zinc/20/12/24/388201224.db2.gz ZWTHLBVFEGFXKM-BFHYXJOUSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000488992243 388200970 /nfs/dbraw/zinc/20/09/70/388200970.db2.gz ZWTHLBVFEGFXKM-IHRRRGAJSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000488992244 388201290 /nfs/dbraw/zinc/20/12/90/388201290.db2.gz ZWTHLBVFEGFXKM-MELADBBJSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCCCCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000488992245 388200900 /nfs/dbraw/zinc/20/09/00/388200900.db2.gz ZWTHLBVFEGFXKM-MJBXVCDLSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCCCCN1CCc2ncsc2C1 ZINC000488996915 388201391 /nfs/dbraw/zinc/20/13/91/388201391.db2.gz ORBZXAJRDXZDNQ-UHFFFAOYSA-N 0 3 236.384 3.248 20 30 BGEDHN C=CCCCCCN1CC(C)(C)OC[C@@H]1C ZINC000489007744 388201865 /nfs/dbraw/zinc/20/18/65/388201865.db2.gz GDDWUDUEHKEWIZ-ZDUSSCGKSA-N 0 3 225.376 3.232 20 30 BGEDHN C=C1CCN(CCCc2cccc(F)c2)CC1 ZINC000489183471 388205114 /nfs/dbraw/zinc/20/51/14/388205114.db2.gz IPKABGSDTUPEDO-UHFFFAOYSA-N 0 3 233.330 3.410 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccc(OC)c1 ZINC000489404002 388211692 /nfs/dbraw/zinc/21/16/92/388211692.db2.gz LZLVSCINVAJIKT-AWEZNQCLSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccc(OC)c1 ZINC000489404003 388211946 /nfs/dbraw/zinc/21/19/46/388211946.db2.gz LZLVSCINVAJIKT-CQSZACIVSA-N 0 3 231.339 3.236 20 30 BGEDHN C=C[C@H]1CCCCN1CCC(=O)c1ccccc1 ZINC000489421731 388212303 /nfs/dbraw/zinc/21/23/03/388212303.db2.gz DGAJRKJGKMNNSV-HNNXBMFYSA-N 0 3 243.350 3.300 20 30 BGEDHN C=C[C@@H]1CCCCN1CCC(=O)c1ccccc1 ZINC000489421732 398023975 /nfs/dbraw/zinc/02/39/75/398023975.db2.gz DGAJRKJGKMNNSV-OAHLLOKOSA-N 0 3 243.350 3.300 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000489423301 388213010 /nfs/dbraw/zinc/21/30/10/388213010.db2.gz GUVLWSIQNISRTM-INIZCTEOSA-N 0 3 240.350 3.293 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000489423302 388212798 /nfs/dbraw/zinc/21/27/98/388212798.db2.gz GUVLWSIQNISRTM-MRXNPFEDSA-N 0 3 240.350 3.293 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccccc1N(C)C ZINC000489424928 398023890 /nfs/dbraw/zinc/02/38/90/398023890.db2.gz KYUPXGCKXDWACQ-HNNXBMFYSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccccc1N(C)C ZINC000489424942 388212963 /nfs/dbraw/zinc/21/29/63/388212963.db2.gz KYUPXGCKXDWACQ-OAHLLOKOSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C[C@H]1CCCCN1CCOc1cccc(F)c1 ZINC000489425887 398025059 /nfs/dbraw/zinc/02/50/59/398025059.db2.gz AYORKGQAPLRTNV-AWEZNQCLSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C[C@@H]1CCCCN1CCOc1cccc(F)c1 ZINC000489425888 388212444 /nfs/dbraw/zinc/21/24/44/388212444.db2.gz AYORKGQAPLRTNV-CQSZACIVSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000489432783 388213913 /nfs/dbraw/zinc/21/39/13/388213913.db2.gz RDRPRGVWALBXLM-INIZCTEOSA-N 0 3 240.350 3.407 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000489432784 388214045 /nfs/dbraw/zinc/21/40/45/388214045.db2.gz RDRPRGVWALBXLM-MRXNPFEDSA-N 0 3 240.350 3.407 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1sc(C)nc1C ZINC000489434164 388214100 /nfs/dbraw/zinc/21/41/00/388214100.db2.gz HZAAWXSGZBPOAC-GFCCVEGCSA-N 0 3 236.384 3.300 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1sc(C)nc1C ZINC000489434165 388213851 /nfs/dbraw/zinc/21/38/51/388213851.db2.gz HZAAWXSGZBPOAC-LBPRGKRZSA-N 0 3 236.384 3.300 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000489434403 388213806 /nfs/dbraw/zinc/21/38/06/388213806.db2.gz LJQIXLGRRIVUOO-AWEZNQCLSA-N 0 3 219.303 3.366 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000489434405 388214244 /nfs/dbraw/zinc/21/42/44/388214244.db2.gz LJQIXLGRRIVUOO-CQSZACIVSA-N 0 3 219.303 3.366 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccs1 ZINC000489439583 388214159 /nfs/dbraw/zinc/21/41/59/388214159.db2.gz QXYCPZHWJQBNGY-LLVKDONJSA-N 0 3 207.342 3.289 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccs1 ZINC000489439584 388213549 /nfs/dbraw/zinc/21/35/49/388213549.db2.gz QXYCPZHWJQBNGY-NSHDSACASA-N 0 3 207.342 3.289 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(C)nc1C ZINC000489441406 388214874 /nfs/dbraw/zinc/21/48/74/388214874.db2.gz VATJELKUADLIHE-HNNXBMFYSA-N 0 3 230.355 3.239 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C)nc1C ZINC000489441407 388214886 /nfs/dbraw/zinc/21/48/86/388214886.db2.gz VATJELKUADLIHE-OAHLLOKOSA-N 0 3 230.355 3.239 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000489442679 388214820 /nfs/dbraw/zinc/21/48/20/388214820.db2.gz BDMNSQRUVZNCHN-HNNXBMFYSA-N 0 3 226.323 3.099 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000489442681 388212535 /nfs/dbraw/zinc/21/25/35/388212535.db2.gz BDMNSQRUVZNCHN-OAHLLOKOSA-N 0 3 226.323 3.099 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000489466897 388215937 /nfs/dbraw/zinc/21/59/37/388215937.db2.gz ZXGTYZKRCMIFBG-HNNXBMFYSA-N 0 3 226.323 3.099 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000489466898 388215775 /nfs/dbraw/zinc/21/57/75/388215775.db2.gz ZXGTYZKRCMIFBG-OAHLLOKOSA-N 0 3 226.323 3.099 20 30 BGEDHN C=C[C@H]1CCCCN1CCOc1ccc(F)cc1 ZINC000489476980 388217018 /nfs/dbraw/zinc/21/70/18/388217018.db2.gz INPOFOGJYHKIOC-AWEZNQCLSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C[C@@H]1CCCCN1CCOc1ccc(F)cc1 ZINC000489476981 388216903 /nfs/dbraw/zinc/21/69/03/388216903.db2.gz INPOFOGJYHKIOC-CQSZACIVSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccc(COC)c1 ZINC000489481155 388217835 /nfs/dbraw/zinc/21/78/35/388217835.db2.gz SQUMNYULIJAMKW-INIZCTEOSA-N 0 3 245.366 3.374 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccc(COC)c1 ZINC000489481157 388217219 /nfs/dbraw/zinc/21/72/19/388217219.db2.gz SQUMNYULIJAMKW-MRXNPFEDSA-N 0 3 245.366 3.374 20 30 BGEDHN C=C[C@@H]1CCCCN1CCc1csc(C)n1 ZINC000489490750 388218317 /nfs/dbraw/zinc/21/83/17/388218317.db2.gz OAJFLTAYWHLVLG-CYBMUJFWSA-N 0 3 236.384 3.035 20 30 BGEDHN C=C[C@H]1CCCCN1CCc1csc(C)n1 ZINC000489490752 388218405 /nfs/dbraw/zinc/21/84/05/388218405.db2.gz OAJFLTAYWHLVLG-ZDUSSCGKSA-N 0 3 236.384 3.035 20 30 BGEDHN C=C[C@H]1CCCCN1CCOc1ccccc1 ZINC000489495076 388218232 /nfs/dbraw/zinc/21/82/32/388218232.db2.gz WCHGSDUPHCNCBR-AWEZNQCLSA-N 0 3 231.339 3.106 20 30 BGEDHN C=C[C@@H]1CCCCN1CCOc1ccccc1 ZINC000489495078 388218867 /nfs/dbraw/zinc/21/88/67/388218867.db2.gz WCHGSDUPHCNCBR-CQSZACIVSA-N 0 3 231.339 3.106 20 30 BGEDHN C=C[C@H]1CCCCN1CCOCCC(C)C ZINC000489499031 388218629 /nfs/dbraw/zinc/21/86/29/388218629.db2.gz PXRROFYYJTWTNO-AWEZNQCLSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C[C@@H]1CCCCN1CCOCCC(C)C ZINC000489499032 388218886 /nfs/dbraw/zinc/21/88/86/388218886.db2.gz PXRROFYYJTWTNO-CQSZACIVSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000489501595 388219420 /nfs/dbraw/zinc/21/94/20/388219420.db2.gz UQZSKGHKRJYUMF-AWEZNQCLSA-N 0 3 219.303 3.366 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000489501596 388219262 /nfs/dbraw/zinc/21/92/62/388219262.db2.gz UQZSKGHKRJYUMF-CQSZACIVSA-N 0 3 219.303 3.366 20 30 BGEDHN Cc1cc(CN(C)[C@H]2CC2(C)C)ccc1C#N ZINC000489502021 388741260 /nfs/dbraw/zinc/74/12/60/388741260.db2.gz QVOVQWZXDVMBCX-AWEZNQCLSA-N 0 3 228.339 3.097 20 30 BGEDHN Cc1cc(CN(C)[C@@H]2CC2(C)C)ccc1C#N ZINC000489502022 388740846 /nfs/dbraw/zinc/74/08/46/388740846.db2.gz QVOVQWZXDVMBCX-CQSZACIVSA-N 0 3 228.339 3.097 20 30 BGEDHN C=C[C@H]1CCCCN1CCCOc1ccccc1 ZINC000489502212 388219775 /nfs/dbraw/zinc/21/97/75/388219775.db2.gz XWIYHXQNCLDFMJ-HNNXBMFYSA-N 0 3 245.366 3.496 20 30 BGEDHN C=C[C@@H]1CCCCN1CCCOc1ccccc1 ZINC000489502213 388219246 /nfs/dbraw/zinc/21/92/46/388219246.db2.gz XWIYHXQNCLDFMJ-OAHLLOKOSA-N 0 3 245.366 3.496 20 30 BGEDHN C=C[C@H]1CCCCN1CCc1ccccc1F ZINC000489517919 388219439 /nfs/dbraw/zinc/21/94/39/388219439.db2.gz VHCKRULMATYKFI-AWEZNQCLSA-N 0 3 233.330 3.409 20 30 BGEDHN C=C[C@@H]1CCCCN1CCc1ccccc1F ZINC000489517920 388219473 /nfs/dbraw/zinc/21/94/73/388219473.db2.gz VHCKRULMATYKFI-CQSZACIVSA-N 0 3 233.330 3.409 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)C1(C)CCCC1 ZINC000489834354 388840967 /nfs/dbraw/zinc/84/09/67/388840967.db2.gz CXFBEHWAGRMKQQ-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1ccc(F)cc1C#N)C1(C)CCCC1 ZINC000489844480 388840299 /nfs/dbraw/zinc/84/02/99/388840299.db2.gz VDEAXBMSZIQSPB-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C1(C)CCCC1 ZINC000489848391 388840583 /nfs/dbraw/zinc/84/05/83/388840583.db2.gz YUFXEAJHRDRUAF-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1ccccc1C#N)C1(C)CCCC1 ZINC000489864636 388842375 /nfs/dbraw/zinc/84/23/75/388842375.db2.gz UXVWXVUPWHKJCG-UHFFFAOYSA-N 0 3 228.339 3.323 20 30 BGEDHN CN(Cc1cc(F)ccc1C#N)C1(C)CCCC1 ZINC000489878629 388589939 /nfs/dbraw/zinc/58/99/39/388589939.db2.gz XYHQYQKUTMCXIB-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN CN(Cc1cc(C#N)ccc1F)C1(C)CCCC1 ZINC000490110065 388848336 /nfs/dbraw/zinc/84/83/36/388848336.db2.gz ZDBQPNSFMGNOKJ-UHFFFAOYSA-N 0 3 246.329 3.462 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC000490714531 388249396 /nfs/dbraw/zinc/24/93/96/388249396.db2.gz PRGNDXICCGIKKM-JTQLQIEISA-N 0 3 223.266 3.078 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(C(F)F)c1 ZINC000490714540 388249290 /nfs/dbraw/zinc/24/92/90/388249290.db2.gz PRGNDXICCGIKKM-SNVBAGLBSA-N 0 3 223.266 3.078 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC000490718122 527333461 /nfs/dbraw/zinc/33/34/61/527333461.db2.gz HBWNLOLSQGQTCP-JTQLQIEISA-N 0 3 223.266 3.078 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC000490718123 527214523 /nfs/dbraw/zinc/21/45/23/527214523.db2.gz HBWNLOLSQGQTCP-SNVBAGLBSA-N 0 3 223.266 3.078 20 30 BGEDHN C#CCN(C[C@H](C)C(F)(F)F)C1CCCC1 ZINC000490841555 323075579 /nfs/dbraw/zinc/07/55/79/323075579.db2.gz VCQKNIQOIUGGPA-JTQLQIEISA-N 0 3 233.277 3.063 20 30 BGEDHN C#CCN(C[C@@H](C)C(F)(F)F)C1CCCC1 ZINC000490841556 323075526 /nfs/dbraw/zinc/07/55/26/323075526.db2.gz VCQKNIQOIUGGPA-SNVBAGLBSA-N 0 3 233.277 3.063 20 30 BGEDHN C#CCN(Cc1scnc1C)C1CCCCC1 ZINC000490877199 526913535 /nfs/dbraw/zinc/91/35/35/526913535.db2.gz XESMXYOUYAUNOU-UHFFFAOYSA-N 0 3 248.395 3.219 20 30 BGEDHN C#CCN(CC)Cc1cccc(C(F)F)c1 ZINC000491040630 388266996 /nfs/dbraw/zinc/26/69/96/388266996.db2.gz WCNNCMODTQRXFU-UHFFFAOYSA-N 0 3 223.266 3.079 20 30 BGEDHN C#CC(C)(C)N(C)Cc1ccc2ncccc2c1 ZINC000491164715 388273529 /nfs/dbraw/zinc/27/35/29/388273529.db2.gz DWQZMVYOIVJWSU-UHFFFAOYSA-N 0 3 238.334 3.078 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc2nc(C)sc2c1 ZINC000491327488 388286050 /nfs/dbraw/zinc/28/60/50/388286050.db2.gz VUNCMUBWXYAXPU-JTQLQIEISA-N 0 3 244.363 3.058 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc2nc(C)sc2c1 ZINC000491327489 388285935 /nfs/dbraw/zinc/28/59/35/388285935.db2.gz VUNCMUBWXYAXPU-SNVBAGLBSA-N 0 3 244.363 3.058 20 30 BGEDHN C=CCN(CCc1ccco1)CC(=C)CC ZINC000491397916 388291992 /nfs/dbraw/zinc/29/19/92/388291992.db2.gz RGOALUIRAQNDFG-UHFFFAOYSA-N 0 3 219.328 3.276 20 30 BGEDHN C=CCN(CCc1ccco1)[C@H]1C=CCCC1 ZINC000491399944 388291691 /nfs/dbraw/zinc/29/16/91/388291691.db2.gz YQTVXSZLAPQQOR-AWEZNQCLSA-N 0 3 231.339 3.419 20 30 BGEDHN C=CCN(CCc1ccco1)[C@@H]1C=CCCC1 ZINC000491399945 388291998 /nfs/dbraw/zinc/29/19/98/388291998.db2.gz YQTVXSZLAPQQOR-CQSZACIVSA-N 0 3 231.339 3.419 20 30 BGEDHN C=CCN(CC=C(C)C)CCc1ccco1 ZINC000491424780 388293980 /nfs/dbraw/zinc/29/39/80/388293980.db2.gz XAYAFRBGJOOXLX-UHFFFAOYSA-N 0 3 219.328 3.276 20 30 BGEDHN C#C[C@@H](NCc1scnc1C1CC1)C(C)(C)C ZINC000491506826 398044265 /nfs/dbraw/zinc/04/42/65/398044265.db2.gz RMWWGVDMFVSMKQ-GFCCVEGCSA-N 0 3 248.395 3.158 20 30 BGEDHN C#C[C@H](NCc1scnc1C1CC1)C(C)(C)C ZINC000491506831 398044510 /nfs/dbraw/zinc/04/45/10/398044510.db2.gz RMWWGVDMFVSMKQ-LBPRGKRZSA-N 0 3 248.395 3.158 20 30 BGEDHN C#CCN(C(C)C)[C@H](C)c1ccsc1 ZINC000491677857 388310196 /nfs/dbraw/zinc/31/01/96/388310196.db2.gz RRBNNXPYYKQRJT-LLVKDONJSA-N 0 3 207.342 3.153 20 30 BGEDHN C#CCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000491677859 388310262 /nfs/dbraw/zinc/31/02/62/388310262.db2.gz RRBNNXPYYKQRJT-NSHDSACASA-N 0 3 207.342 3.153 20 30 BGEDHN C#C[C@@H](CC)NCc1cc(C)c2ncccc2c1 ZINC000491696058 385521730 /nfs/dbraw/zinc/52/17/30/385521730.db2.gz NZLARAHRNHYXQL-HNNXBMFYSA-N 0 3 238.334 3.045 20 30 BGEDHN C#C[C@H](CC)NCc1cc(C)c2ncccc2c1 ZINC000491696067 385521313 /nfs/dbraw/zinc/52/13/13/385521313.db2.gz NZLARAHRNHYXQL-OAHLLOKOSA-N 0 3 238.334 3.045 20 30 BGEDHN C#CCN(CCC(C)(F)F)C1CCCCC1 ZINC000491747286 388317359 /nfs/dbraw/zinc/31/73/59/388317359.db2.gz ZSZYWSUCUQBPLJ-UHFFFAOYSA-N 0 3 229.314 3.300 20 30 BGEDHN C#C[C@H](CC)NCc1ccc2nc(C)sc2c1 ZINC000491752675 527361979 /nfs/dbraw/zinc/36/19/79/527361979.db2.gz YZZPCHQOXUAAGZ-GFCCVEGCSA-N 0 3 244.363 3.106 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc2nc(C)sc2c1 ZINC000491752682 527244738 /nfs/dbraw/zinc/24/47/38/527244738.db2.gz YZZPCHQOXUAAGZ-LBPRGKRZSA-N 0 3 244.363 3.106 20 30 BGEDHN C#C[C@@H](NCc1cnc(C2CCC2)s1)C(C)C ZINC000491755156 388318230 /nfs/dbraw/zinc/31/82/30/388318230.db2.gz YKJUWRSRYFMYKJ-CYBMUJFWSA-N 0 3 248.395 3.158 20 30 BGEDHN C#C[C@H](NCc1cnc(C2CCC2)s1)C(C)C ZINC000491755157 388318092 /nfs/dbraw/zinc/31/80/92/388318092.db2.gz YKJUWRSRYFMYKJ-ZDUSSCGKSA-N 0 3 248.395 3.158 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000493441580 527823685 /nfs/dbraw/zinc/82/36/85/527823685.db2.gz FRSTZNQVIXPDMO-KBPBESRZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)CC[C@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000493441581 527858080 /nfs/dbraw/zinc/85/80/80/527858080.db2.gz FRSTZNQVIXPDMO-KGLIPLIRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)CC[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000493441582 527827102 /nfs/dbraw/zinc/82/71/02/527827102.db2.gz FRSTZNQVIXPDMO-UONOGXRCSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)CC[C@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000493441583 527859759 /nfs/dbraw/zinc/85/97/59/527859759.db2.gz FRSTZNQVIXPDMO-ZIAGYGMSSA-N 0 3 234.387 3.485 20 30 BGEDHN C=CCN(C)C/C(C)=C\c1ccccc1 ZINC000494241730 527572155 /nfs/dbraw/zinc/57/21/55/527572155.db2.gz NSBOXWJAKGJYAV-QBFSEMIESA-N 0 3 201.313 3.208 20 30 BGEDHN C/C(=C/c1ccccc1)CN(C)CCCC#N ZINC000494263082 527505345 /nfs/dbraw/zinc/50/53/45/527505345.db2.gz VFJVBRAMUIBHBO-OWBHPGMISA-N 0 3 228.339 3.325 20 30 BGEDHN C/C(=C\c1ccccc1)CN(C)CCCC#N ZINC000494263083 527532681 /nfs/dbraw/zinc/53/26/81/527532681.db2.gz VFJVBRAMUIBHBO-WYMLVPIESA-N 0 3 228.339 3.325 20 30 BGEDHN CC#CCN(C)C/C(C)=C\c1ccccc1 ZINC000494263151 526357913 /nfs/dbraw/zinc/35/79/13/526357913.db2.gz VVQRYORTYHLJAY-OWBHPGMISA-N 0 3 213.324 3.045 20 30 BGEDHN CC#CCN(C)C/C(C)=C/c1ccccc1 ZINC000494263152 526359559 /nfs/dbraw/zinc/35/95/59/526359559.db2.gz VVQRYORTYHLJAY-WYMLVPIESA-N 0 3 213.324 3.045 20 30 BGEDHN CC#CCCN(C)C/C(C)=C/c1ccccc1 ZINC000494274036 526307117 /nfs/dbraw/zinc/30/71/17/526307117.db2.gz MQVYKQJUQVMWPC-FYWRMAATSA-N 0 3 227.351 3.435 20 30 BGEDHN CC#CCCN(C)C/C(C)=C\c1ccccc1 ZINC000494274037 526306442 /nfs/dbraw/zinc/30/64/42/526306442.db2.gz MQVYKQJUQVMWPC-SQFISAMPSA-N 0 3 227.351 3.435 20 30 BGEDHN C=C(CC)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000494468660 526860771 /nfs/dbraw/zinc/86/07/71/526860771.db2.gz CBLQDEOTFAFABQ-CABCVRRESA-N 0 3 231.339 3.072 20 30 BGEDHN C=C(CNCc1cncc(F)c1)c1ccccc1 ZINC000494575218 526881529 /nfs/dbraw/zinc/88/15/29/526881529.db2.gz QHCIRGPAXYLNIZ-UHFFFAOYSA-N 0 3 242.297 3.024 20 30 BGEDHN C=CCN(C)CCCOc1ccc(C)c(C)c1 ZINC000494625947 527571817 /nfs/dbraw/zinc/57/18/17/527571817.db2.gz MVKJUFMUYTZILE-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(C)CCCSCc1ccccc1 ZINC000494627111 527572660 /nfs/dbraw/zinc/57/26/60/527572660.db2.gz VVXYTXSWOAOTAZ-UHFFFAOYSA-N 0 3 235.396 3.428 20 30 BGEDHN C=CCN(C)Cc1ccc(CCC)cc1 ZINC000494628274 527573890 /nfs/dbraw/zinc/57/38/90/527573890.db2.gz BTZGROYMJCKYNZ-UHFFFAOYSA-N 0 3 203.329 3.257 20 30 BGEDHN C=CCN(C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000494674220 527577365 /nfs/dbraw/zinc/57/73/65/527577365.db2.gz UREZJIXNYAYFGT-CYBMUJFWSA-N 0 3 221.731 3.445 20 30 BGEDHN C=CCN(C)[C@H]1CCc2ccc(Cl)cc21 ZINC000494674222 527578228 /nfs/dbraw/zinc/57/82/28/527578228.db2.gz UREZJIXNYAYFGT-ZDUSSCGKSA-N 0 3 221.731 3.445 20 30 BGEDHN C=CCN(C)CCCOc1cc(C)cc(C)c1 ZINC000494680758 527572182 /nfs/dbraw/zinc/57/21/82/527572182.db2.gz JHFWLUXSEVORQE-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(C)CCOc1cccc2ccccc21 ZINC000494685048 527575442 /nfs/dbraw/zinc/57/54/42/527575442.db2.gz LVCWUAJTRWDHSM-UHFFFAOYSA-N 0 3 241.334 3.336 20 30 BGEDHN C=CCN(C)CCOc1ccc2ccccc2c1 ZINC000494690295 527575248 /nfs/dbraw/zinc/57/52/48/527575248.db2.gz NBFLBIMCPYDVPH-UHFFFAOYSA-N 0 3 241.334 3.336 20 30 BGEDHN C=CCN(C)CCCOc1cc(C)ccc1C ZINC000494703860 527572718 /nfs/dbraw/zinc/57/27/18/527572718.db2.gz QWQOIRDUIJPLIF-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN C=CCN(C)CCCOc1c(C)cccc1C ZINC000494706940 527573153 /nfs/dbraw/zinc/57/31/53/527573153.db2.gz HOJCCLOBRHONFU-UHFFFAOYSA-N 0 3 233.355 3.190 20 30 BGEDHN CC(C)CCN(CCC#N)C[C@H]1CCSC1 ZINC000494922744 527716161 /nfs/dbraw/zinc/71/61/61/527716161.db2.gz OXYSLTAHQSVMET-CYBMUJFWSA-N 0 3 240.416 3.001 20 30 BGEDHN CC(C)CCN(CCC#N)C[C@@H]1CCSC1 ZINC000494922749 527715176 /nfs/dbraw/zinc/71/51/76/527715176.db2.gz OXYSLTAHQSVMET-ZDUSSCGKSA-N 0 3 240.416 3.001 20 30 BGEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCSC1 ZINC000494924728 527681084 /nfs/dbraw/zinc/68/10/84/527681084.db2.gz RKBRFNATMBCUEV-GFCCVEGCSA-N 0 3 240.416 3.001 20 30 BGEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCSC1 ZINC000494924729 527680855 /nfs/dbraw/zinc/68/08/55/527680855.db2.gz RKBRFNATMBCUEV-LBPRGKRZSA-N 0 3 240.416 3.001 20 30 BGEDHN C=CCCCN(C)Cc1scnc1C1CC1 ZINC000494929178 538927029 /nfs/dbraw/zinc/92/70/29/538927029.db2.gz HLJQICSLZOHWGM-UHFFFAOYSA-N 0 3 236.384 3.419 20 30 BGEDHN C=CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494973766 538927539 /nfs/dbraw/zinc/92/75/39/538927539.db2.gz IIBFWKOCUZYDEV-UHFFFAOYSA-N 0 3 248.395 3.419 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(C)c1C ZINC000497099204 526502270 /nfs/dbraw/zinc/50/22/70/526502270.db2.gz QCQKNGJHIOYETA-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccc(F)cc1 ZINC000497114277 526499988 /nfs/dbraw/zinc/49/99/88/526499988.db2.gz KQRZKOARSWOXEI-PLNGDYQASA-N 0 3 219.303 3.347 20 30 BGEDHN C=C(C)CN(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000497130609 384318922 /nfs/dbraw/zinc/31/89/22/384318922.db2.gz ORMJRCNRESVCET-UHFFFAOYSA-N 0 3 245.366 3.408 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(F)c(Cl)c1 ZINC000497159485 385751031 /nfs/dbraw/zinc/75/10/31/385751031.db2.gz GLHFJDDLMAZWNN-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000497167774 384602656 /nfs/dbraw/zinc/60/26/56/384602656.db2.gz YYINNNGHMFWUHA-VURMDHGXSA-N 0 3 246.310 3.116 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccccc1OC ZINC000497197993 384857361 /nfs/dbraw/zinc/85/73/61/384857361.db2.gz ICGPYDWLCRRBPL-CLFYSBASSA-N 0 3 231.339 3.216 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(C)c(C)c1 ZINC000497245430 384905610 /nfs/dbraw/zinc/90/56/10/384905610.db2.gz FIVWUVYYPNGYKV-UHFFFAOYSA-N 0 3 203.329 3.311 20 30 BGEDHN CC#CCCNCc1ccc(-c2ccccc2)o1 ZINC000499209579 526337895 /nfs/dbraw/zinc/33/78/95/526337895.db2.gz FCHUZDSDJQODGM-UHFFFAOYSA-N 0 3 239.318 3.450 20 30 BGEDHN CC#CCCNCc1cccn1CCC(C)C ZINC000499211167 526338999 /nfs/dbraw/zinc/33/89/99/526338999.db2.gz HNMZJWPKHONCRG-UHFFFAOYSA-N 0 3 232.371 3.037 20 30 BGEDHN CC#CCCNCc1cccc(OCC(C)C)c1 ZINC000499213425 526338070 /nfs/dbraw/zinc/33/80/70/526338070.db2.gz TUKVBUBVAFUBGG-UHFFFAOYSA-N 0 3 245.366 3.224 20 30 BGEDHN CC#CCCNCc1ccc(OCC(C)C)cc1 ZINC000499213549 526338198 /nfs/dbraw/zinc/33/81/98/526338198.db2.gz NGOYOKORAFOSPI-UHFFFAOYSA-N 0 3 245.366 3.224 20 30 BGEDHN CC(C)C[C@@H](C)CN(C[C@H](C)C#N)C1CC1 ZINC000499573443 528250480 /nfs/dbraw/zinc/25/04/80/528250480.db2.gz GATVMNHSFMXRFN-CHWSQXEVSA-N 0 3 222.376 3.293 20 30 BGEDHN CC(C)C[C@@H](C)CN(C[C@@H](C)C#N)C1CC1 ZINC000499573456 528250075 /nfs/dbraw/zinc/25/00/75/528250075.db2.gz GATVMNHSFMXRFN-OLZOCXBDSA-N 0 3 222.376 3.293 20 30 BGEDHN CC(C)C[C@H](C)CN(C[C@H](C)C#N)C1CC1 ZINC000499573457 528458842 /nfs/dbraw/zinc/45/88/42/528458842.db2.gz GATVMNHSFMXRFN-QWHCGFSZSA-N 0 3 222.376 3.293 20 30 BGEDHN CC(C)C[C@H](C)CN(C[C@@H](C)C#N)C1CC1 ZINC000499573458 528458298 /nfs/dbraw/zinc/45/82/98/528458298.db2.gz GATVMNHSFMXRFN-STQMWFEESA-N 0 3 222.376 3.293 20 30 BGEDHN C=CCCCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501026365 527200859 /nfs/dbraw/zinc/20/08/59/527200859.db2.gz HZIRYKOYGUQQHZ-GDBMZVCRSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501026366 527201024 /nfs/dbraw/zinc/20/10/24/527201024.db2.gz HZIRYKOYGUQQHZ-GOEBONIOSA-N 0 3 245.366 3.415 20 30 BGEDHN C=CCCCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501026367 527200829 /nfs/dbraw/zinc/20/08/29/527200829.db2.gz 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RHESLDHEKIBJEI-UHFFFAOYSA-N 0 3 244.382 3.311 20 30 BGEDHN C=CCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000502877838 527327047 /nfs/dbraw/zinc/32/70/47/527327047.db2.gz XEQLTMDAZSVQBY-HNNXBMFYSA-N 0 3 233.330 3.442 20 30 BGEDHN C=CCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000502877840 527327387 /nfs/dbraw/zinc/32/73/87/527327387.db2.gz XEQLTMDAZSVQBY-OAHLLOKOSA-N 0 3 233.330 3.442 20 30 BGEDHN C=C(CC)CN1CCc2cc(F)cc(C)c2C1 ZINC000502901581 526854260 /nfs/dbraw/zinc/85/42/60/526854260.db2.gz BABPXEZIYVOWJI-UHFFFAOYSA-N 0 3 233.330 3.458 20 30 BGEDHN C=C(C)CCN1CCc2cc(F)cc(C)c2C1 ZINC000502938035 526447627 /nfs/dbraw/zinc/44/76/27/526447627.db2.gz GPXZZVKWNMYNJW-UHFFFAOYSA-N 0 3 233.330 3.458 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OC)cc1CC ZINC000503559148 526502050 /nfs/dbraw/zinc/50/20/50/526502050.db2.gz CBRGKKXSXOUPMD-UHFFFAOYSA-N 0 3 233.355 3.266 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(OC)cc1CC ZINC000503895792 527643430 /nfs/dbraw/zinc/64/34/30/527643430.db2.gz XIKSRCWOYANYPU-UHFFFAOYSA-N 0 3 245.366 3.432 20 30 BGEDHN C=C1CCN(Cc2ccc(OC)cc2CC)CC1 ZINC000503924234 362944285 /nfs/dbraw/zinc/94/42/85/362944285.db2.gz HTJWZGRITFNNNZ-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN C=C1CCN(CCCc2ccccc2OC)CC1 ZINC000505633695 526902902 /nfs/dbraw/zinc/90/29/02/526902902.db2.gz KWPMKTZJFDCIGC-UHFFFAOYSA-N 0 3 245.366 3.280 20 30 BGEDHN C=CCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505837180 526455643 /nfs/dbraw/zinc/45/56/43/526455643.db2.gz CSEIVGDHIJMPBG-AUECHBEKSA-N 0 3 213.324 3.350 20 30 BGEDHN C=CCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505837181 526456094 /nfs/dbraw/zinc/45/60/94/526456094.db2.gz CSEIVGDHIJMPBG-JQPIKURYSA-N 0 3 213.324 3.350 20 30 BGEDHN C=CCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000505837182 526456881 /nfs/dbraw/zinc/45/68/81/526456881.db2.gz CSEIVGDHIJMPBG-NKSUMMKUSA-N 0 3 213.324 3.350 20 30 BGEDHN C=CCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000505837183 526456647 /nfs/dbraw/zinc/45/66/47/526456647.db2.gz CSEIVGDHIJMPBG-WOLCWHLNSA-N 0 3 213.324 3.350 20 30 BGEDHN C=CCN(CC=C)C[C@H]1C[C@H]1c1ccccc1 ZINC000505843248 527642226 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MJUCUSRPKBKWEK-UHFFFAOYSA-N 0 3 215.340 3.477 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(OC)c(C)c1 ZINC000505865023 526546870 /nfs/dbraw/zinc/54/68/70/526546870.db2.gz UYENUQJLMVBCII-UHFFFAOYSA-N 0 3 233.355 3.402 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc2cccc(C)n12 ZINC000505871264 526547092 /nfs/dbraw/zinc/54/70/92/526547092.db2.gz ACXKFASNGCJBBV-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=CCOc1ccc(CN(CC=C)CC=C)cc1 ZINC000505890404 526863807 /nfs/dbraw/zinc/86/38/07/526863807.db2.gz AYNIWALCHWHVNW-UHFFFAOYSA-N 0 3 243.350 3.425 20 30 BGEDHN CC#CCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000505900574 526362661 /nfs/dbraw/zinc/36/26/61/526362661.db2.gz GGHMNTXKTLLIIG-JNSOCZORSA-N 0 3 225.335 3.188 20 30 BGEDHN CC#CCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505900575 526363329 /nfs/dbraw/zinc/36/33/29/526363329.db2.gz GGHMNTXKTLLIIG-LPQFERQCSA-N 0 3 225.335 3.188 20 30 BGEDHN CC#CCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000505900576 526361791 /nfs/dbraw/zinc/36/17/91/526361791.db2.gz GGHMNTXKTLLIIG-PCUGXKRQSA-N 0 3 225.335 3.188 20 30 BGEDHN CC#CCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505900577 526362619 /nfs/dbraw/zinc/36/26/19/526362619.db2.gz GGHMNTXKTLLIIG-YUQCYMQKSA-N 0 3 225.335 3.188 20 30 BGEDHN C=CCOc1ccccc1CN(C)CCCC ZINC000505906443 526930212 /nfs/dbraw/zinc/93/02/12/526930212.db2.gz AFUMOXBPRLSUFH-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCN(CC=C)Cc1cc(C)c(OC)c(C)c1 ZINC000505907040 527642094 /nfs/dbraw/zinc/64/20/94/527642094.db2.gz IOOPUDSBAYRTGF-UHFFFAOYSA-N 0 3 245.366 3.486 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(OC)c(C)c1 ZINC000505907063 527643740 /nfs/dbraw/zinc/64/37/40/527643740.db2.gz IYFXJAPYAYPOCT-UHFFFAOYSA-N 0 3 231.339 3.178 20 30 BGEDHN C=CCOc1ccc(CN2CCC(C)CC2)cc1 ZINC000505908027 526865091 /nfs/dbraw/zinc/86/50/91/526865091.db2.gz SQWZQUWFMYSRKQ-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(OCC)cc1 ZINC000505912020 526548129 /nfs/dbraw/zinc/54/81/29/526548129.db2.gz INSVYDFFVBWEBO-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(C)CN(CC)Cc1cccc(OCC)c1 ZINC000505913543 526546971 /nfs/dbraw/zinc/54/69/71/526546971.db2.gz UWCFFUVYERVHHT-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCOc1ccccc1CN(C)CC(C)C ZINC000506494462 526929322 /nfs/dbraw/zinc/92/93/22/526929322.db2.gz DVCPJIQMIANCNL-UHFFFAOYSA-N 0 3 233.355 3.339 20 30 BGEDHN CC(C)[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000507142580 527784863 /nfs/dbraw/zinc/78/48/63/527784863.db2.gz KBUGGUGKXWIHJR-CYBMUJFWSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000507142581 528674543 /nfs/dbraw/zinc/67/45/43/528674543.db2.gz KBUGGUGKXWIHJR-ZDUSSCGKSA-N 0 3 234.368 3.240 20 30 BGEDHN C=CCOc1ccccc1CN(C)[C@H](C)CC ZINC000507171631 526928884 /nfs/dbraw/zinc/92/88/84/526928884.db2.gz WLAZEKZEQHXYQT-CYBMUJFWSA-N 0 3 233.355 3.482 20 30 BGEDHN C=CCOc1ccccc1CN(C)[C@@H](C)CC ZINC000507171632 526929544 /nfs/dbraw/zinc/92/95/44/526929544.db2.gz WLAZEKZEQHXYQT-ZDUSSCGKSA-N 0 3 233.355 3.482 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000507203089 528959759 /nfs/dbraw/zinc/95/97/59/528959759.db2.gz LJUQLTMNLWWTFS-JTQLQIEISA-N 0 3 222.357 3.096 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000507203090 528407626 /nfs/dbraw/zinc/40/76/26/528407626.db2.gz LJUQLTMNLWWTFS-SNVBAGLBSA-N 0 3 222.357 3.096 20 30 BGEDHN CC(C)[C@H](C)N(C)Cc1cc(C#N)cs1 ZINC000507216167 528959017 /nfs/dbraw/zinc/95/90/17/528959017.db2.gz XHRNOHPAYDZIQY-JTQLQIEISA-N 0 3 222.357 3.096 20 30 BGEDHN CC(C)[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000507216168 528406739 /nfs/dbraw/zinc/40/67/39/528406739.db2.gz XHRNOHPAYDZIQY-SNVBAGLBSA-N 0 3 222.357 3.096 20 30 BGEDHN C=CCOc1ccccc1CN(CC)C1CC1 ZINC000507222433 526929231 /nfs/dbraw/zinc/92/92/31/526929231.db2.gz UPYWPOJEAODSOL-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN CCCCN(Cc1cc(C#N)cs1)C1CC1 ZINC000507223060 528442473 /nfs/dbraw/zinc/44/24/73/528442473.db2.gz XXKNWQKGTGFTGK-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN C=CCN(CC=C)C[C@H](C)c1ccccc1 ZINC000507423385 527642271 /nfs/dbraw/zinc/64/22/71/527642271.db2.gz CTKSKQHIPGCFDK-AWEZNQCLSA-N 0 3 215.340 3.464 20 30 BGEDHN C=CCN(CC=C)C[C@@H](C)c1ccccc1 ZINC000507423387 527642156 /nfs/dbraw/zinc/64/21/56/527642156.db2.gz CTKSKQHIPGCFDK-CQSZACIVSA-N 0 3 215.340 3.464 20 30 BGEDHN C=CCN(CC=C)CC1(c2ccccc2)CC1 ZINC000507426421 527641936 /nfs/dbraw/zinc/64/19/36/527641936.db2.gz XZPKZEKHBACVJM-UHFFFAOYSA-N 0 3 227.351 3.392 20 30 BGEDHN C=C(C)CCN1CCc2cc(OCC)ccc2C1 ZINC000508968095 526447931 /nfs/dbraw/zinc/44/79/31/526447931.db2.gz PIHNUDOXFVDOHM-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN C=C(C)CCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000508968554 526448315 /nfs/dbraw/zinc/44/83/15/526448315.db2.gz XLIYECXTFOLHSG-GDBMZVCRSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000508968555 526448493 /nfs/dbraw/zinc/44/84/93/526448493.db2.gz XLIYECXTFOLHSG-GOEBONIOSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000508968556 526448776 /nfs/dbraw/zinc/44/87/76/526448776.db2.gz XLIYECXTFOLHSG-HOCLYGCPSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000508968557 526449155 /nfs/dbraw/zinc/44/91/55/526449155.db2.gz XLIYECXTFOLHSG-ZBFHGGJFSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN[C@H](C)c1cc(F)ccc1OC ZINC000509023313 526455381 /nfs/dbraw/zinc/45/53/81/526455381.db2.gz PWCLTSIBXPBYFB-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1cc(F)ccc1OC ZINC000509023314 526455128 /nfs/dbraw/zinc/45/51/28/526455128.db2.gz PWCLTSIBXPBYFB-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C=CCN(CCc1ccccc1)CC[C@H](C)F ZINC000509266458 526314593 /nfs/dbraw/zinc/31/45/93/526314593.db2.gz YEAUCCSLNCSFIQ-AWEZNQCLSA-N 0 3 235.346 3.465 20 30 BGEDHN C=CCN(CCc1ccccc1)CC[C@@H](C)F ZINC000509266460 526314167 /nfs/dbraw/zinc/31/41/67/526314167.db2.gz YEAUCCSLNCSFIQ-CQSZACIVSA-N 0 3 235.346 3.465 20 30 BGEDHN C=C(C)CCN1CCN(c2ccccc2C)CC1 ZINC000509294799 526446240 /nfs/dbraw/zinc/44/62/40/526446240.db2.gz QFICSQCTVOOYNZ-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C=C(C)CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000509295590 526447803 /nfs/dbraw/zinc/44/78/03/526447803.db2.gz HCZILVFFNFPMRB-GDBMZVCRSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000509295591 526448544 /nfs/dbraw/zinc/44/85/44/526448544.db2.gz HCZILVFFNFPMRB-GOEBONIOSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000509295593 526448479 /nfs/dbraw/zinc/44/84/79/526448479.db2.gz HCZILVFFNFPMRB-HOCLYGCPSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000509295595 526447606 /nfs/dbraw/zinc/44/76/06/526447606.db2.gz HCZILVFFNFPMRB-ZBFHGGJFSA-N 0 3 245.366 3.415 20 30 BGEDHN C=C(C)CCN(C)Cc1ccccc1OCC ZINC000509314968 526438330 /nfs/dbraw/zinc/43/83/30/526438330.db2.gz QISUBBMAEFGVPQ-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(C)CCN1CCc2[nH]c3ccccc3c2C1 ZINC000509348025 526447851 /nfs/dbraw/zinc/44/78/51/526447851.db2.gz IZTSQEYFQALWAA-UHFFFAOYSA-N 0 3 240.350 3.492 20 30 BGEDHN C=C(C)CCN1CCOC2(C1)CCCCCC2 ZINC000509378931 526445324 /nfs/dbraw/zinc/44/53/24/526445324.db2.gz LWYBMFAULBRDGQ-UHFFFAOYSA-N 0 3 237.387 3.378 20 30 BGEDHN C=C(C)CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000509383207 526447132 /nfs/dbraw/zinc/44/71/32/526447132.db2.gz BBJRZDMPYVUDAD-CHWSQXEVSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(C)CCN1CCS[C@H]2CCCC[C@H]21 ZINC000509383208 526446886 /nfs/dbraw/zinc/44/68/86/526446886.db2.gz BBJRZDMPYVUDAD-OLZOCXBDSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(C)CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000509383209 526447756 /nfs/dbraw/zinc/44/77/56/526447756.db2.gz BBJRZDMPYVUDAD-QWHCGFSZSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(C)CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000509383576 526447677 /nfs/dbraw/zinc/44/76/77/526447677.db2.gz BBJRZDMPYVUDAD-STQMWFEESA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(C)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000509617581 526447338 /nfs/dbraw/zinc/44/73/38/526447338.db2.gz LLFISSNYXPWUNL-HNNXBMFYSA-N 0 3 237.387 3.234 20 30 BGEDHN C=C(C)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000509617583 526447366 /nfs/dbraw/zinc/44/73/66/526447366.db2.gz 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3.227 20 30 BGEDHN C=C(C)CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000509833323 526443502 /nfs/dbraw/zinc/44/35/02/526443502.db2.gz RDLWBNZJRFFYDY-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CNC1(c2cccc(OC)c2)CC1 ZINC000510176777 526858844 /nfs/dbraw/zinc/85/88/44/526858844.db2.gz QOJHUBIJXPCXQG-UHFFFAOYSA-N 0 3 231.339 3.240 20 30 BGEDHN CC#CCN1CCC(C)(c2ccccc2)CC1 ZINC000510784438 526361725 /nfs/dbraw/zinc/36/17/25/526361725.db2.gz PSEYFJNOGMTTGX-UHFFFAOYSA-N 0 3 227.351 3.063 20 30 BGEDHN C=C(C)CCN(CCC)[C@H](CC)C(=O)OCC ZINC000510807824 526441342 /nfs/dbraw/zinc/44/13/42/526441342.db2.gz DQSFFAYFYRMOJI-CYBMUJFWSA-N 0 3 241.375 3.006 20 30 BGEDHN C=C(C)CCN(CCC)[C@@H](CC)C(=O)OCC ZINC000510807825 526440448 /nfs/dbraw/zinc/44/04/48/526440448.db2.gz DQSFFAYFYRMOJI-ZDUSSCGKSA-N 0 3 241.375 3.006 20 30 BGEDHN N#CC1(F)CCN(CC2CCCCCC2)CC1 ZINC000510950763 534567089 /nfs/dbraw/zinc/56/70/89/534567089.db2.gz VBIJMGMAJWMEAY-UHFFFAOYSA-N 0 3 238.350 3.284 20 30 BGEDHN N#CC1(F)CCN(CCC2CCCCC2)CC1 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BGEDHN C=C1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000513466032 388429053 /nfs/dbraw/zinc/42/90/53/388429053.db2.gz BCPOMAGGSMNTFA-UHFFFAOYSA-N 0 3 215.340 3.455 20 30 BGEDHN C=C1CCN(Cc2ccc(CC)cc2)CC1 ZINC000513466782 388428578 /nfs/dbraw/zinc/42/85/78/388428578.db2.gz KPBBZGOBGWXCRS-UHFFFAOYSA-N 0 3 215.340 3.401 20 30 BGEDHN C=C1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000513491389 388430280 /nfs/dbraw/zinc/43/02/80/388430280.db2.gz TUKNQOSHRHMROA-UHFFFAOYSA-N 0 3 245.366 3.464 20 30 BGEDHN C=C1CCN(Cc2cccc(C)c2C)CC1 ZINC000513496659 388430092 /nfs/dbraw/zinc/43/00/92/388430092.db2.gz IOKYEKULNOCEJV-UHFFFAOYSA-N 0 3 215.340 3.455 20 30 BGEDHN C=C1CCN(Cc2ccc(C)cc2C)CC1 ZINC000513502925 388430922 /nfs/dbraw/zinc/43/09/22/388430922.db2.gz ITXCDOXWSRFYMR-UHFFFAOYSA-N 0 3 215.340 3.455 20 30 BGEDHN C=CCCCCN(C)Cc1cc(Cl)cn1C ZINC000514653667 387045460 /nfs/dbraw/zinc/04/54/60/387045460.db2.gz SBUXDSRMCFOBDW-UHFFFAOYSA-N 0 3 240.778 3.467 20 30 BGEDHN C=C(CC)CN1CC[C@H](Oc2ccccc2)C1 ZINC000514726057 387279229 /nfs/dbraw/zinc/27/92/29/387279229.db2.gz XCRDUYYHZVKOLP-HNNXBMFYSA-N 0 3 231.339 3.106 20 30 BGEDHN C=C(C)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000514748873 387286738 /nfs/dbraw/zinc/28/67/38/387286738.db2.gz YNJDOLRMAASVBC-UHFFFAOYSA-N 0 3 231.314 3.491 20 30 BGEDHN CC(C)CCN(CCC#N)CC1(C)CC1 ZINC000515029499 256730889 /nfs/dbraw/zinc/73/08/89/256730889.db2.gz SIUXKYOCCDKBGK-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C=CCCCCNCc1ccc2c(n1)CCC2 ZINC000515135088 387337312 /nfs/dbraw/zinc/33/73/12/387337312.db2.gz LYGPEUKGMOXFKR-UHFFFAOYSA-N 0 3 230.355 3.016 20 30 BGEDHN CCCCCN(Cc1ccc(C#N)cn1)C(C)C ZINC000515276403 388648123 /nfs/dbraw/zinc/64/81/23/388648123.db2.gz LTSMWFMMEHHCHH-UHFFFAOYSA-N 0 3 245.370 3.354 20 30 BGEDHN C=CCC[C@H](N[C@@H]1CO[C@H](C)C1)c1ccco1 ZINC000515383183 387373301 /nfs/dbraw/zinc/37/33/01/387373301.db2.gz VEVDARMVSHNESO-AGIUHOORSA-N 0 3 235.327 3.054 20 30 BGEDHN C=CCC[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccco1 ZINC000515383184 256744256 /nfs/dbraw/zinc/74/42/56/256744256.db2.gz VEVDARMVSHNESO-AVGNSLFASA-N 0 3 235.327 3.054 20 30 BGEDHN C=CCC[C@H](N[C@H]1CO[C@H](C)C1)c1ccco1 ZINC000515383185 387373169 /nfs/dbraw/zinc/37/31/69/387373169.db2.gz VEVDARMVSHNESO-UPJWGTAASA-N 0 3 235.327 3.054 20 30 BGEDHN C=CCC[C@H](N[C@H]1CO[C@@H](C)C1)c1ccco1 ZINC000515383186 387373027 /nfs/dbraw/zinc/37/30/27/387373027.db2.gz VEVDARMVSHNESO-XQQFMLRXSA-N 0 3 235.327 3.054 20 30 BGEDHN C=CCCCCCNCc1ncc(C)s1 ZINC000515433743 256745990 /nfs/dbraw/zinc/74/59/90/256745990.db2.gz ZSNOLMVWMUPHSN-UHFFFAOYSA-N 0 3 224.373 3.288 20 30 BGEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1cscn1 ZINC000515672844 387411223 /nfs/dbraw/zinc/41/12/23/387411223.db2.gz JXTPODLSHPHPSK-XSRFYTQQSA-N 0 3 249.383 3.266 20 30 BGEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1cscn1 ZINC000515672845 256752124 /nfs/dbraw/zinc/75/21/24/256752124.db2.gz JXTPODLSHPHPSK-ZBOXLXRLSA-N 0 3 249.383 3.266 20 30 BGEDHN C=CCN(CCOCCCC)Cc1ccccc1 ZINC000515782014 387426926 /nfs/dbraw/zinc/42/69/26/387426926.db2.gz OUDGOJGETGTINK-UHFFFAOYSA-N 0 3 247.382 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CC(C)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000517127058 388537791 /nfs/dbraw/zinc/53/77/91/388537791.db2.gz KIBMUUTUMGPBGT-RBSFLKMASA-N 0 3 247.386 3.234 20 30 BGEDHN CC(C)[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000517127059 388537747 /nfs/dbraw/zinc/53/77/47/388537747.db2.gz KIBMUUTUMGPBGT-RRFJBIMHSA-N 0 3 247.386 3.234 20 30 BGEDHN CC(C)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000517127060 388537627 /nfs/dbraw/zinc/53/76/27/388537627.db2.gz KIBMUUTUMGPBGT-ZNMIVQPWSA-N 0 3 247.386 3.234 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)C1NCc1ccccc1C#N ZINC000517185659 388660585 /nfs/dbraw/zinc/66/05/85/388660585.db2.gz UVZQJXSVCHQZKZ-CHWSQXEVSA-N 0 3 242.366 3.473 20 30 BGEDHN C[C@H]1CCC[C@H](C)C1NCc1ccccc1C#N ZINC000517185670 388660692 /nfs/dbraw/zinc/66/06/92/388660692.db2.gz UVZQJXSVCHQZKZ-STQMWFEESA-N 0 3 242.366 3.473 20 30 BGEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1ccccc1C#N ZINC000517185672 388661084 /nfs/dbraw/zinc/66/10/84/388661084.db2.gz UVZQJXSVCHQZKZ-VIKVFOODSA-N 0 3 242.366 3.473 20 30 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ZINC000522984232 388784040 /nfs/dbraw/zinc/78/40/40/388784040.db2.gz LATCKGLRDMMINR-CYBMUJFWSA-N 0 3 238.375 3.355 20 30 BGEDHN CCCCCN(CCCCC)C(=O)C(C)C#N ZINC000522984233 388784278 /nfs/dbraw/zinc/78/42/78/388784278.db2.gz LATCKGLRDMMINR-ZDUSSCGKSA-N 0 3 238.375 3.355 20 30 BGEDHN C=CCN1CCC(c2ccccc2F)CC1 ZINC000523017696 388789039 /nfs/dbraw/zinc/78/90/39/388789039.db2.gz ARNHBQGKPAIYEC-UHFFFAOYSA-N 0 3 219.303 3.191 20 30 BGEDHN C=CC1CCN(CCOc2ccccc2F)CC1 ZINC000523606558 324209234 /nfs/dbraw/zinc/20/92/34/324209234.db2.gz CZKQYCITPBISKL-UHFFFAOYSA-N 0 3 249.329 3.103 20 30 BGEDHN C=CC1CCN(CCOc2cccc(F)c2)CC1 ZINC000523609363 388846351 /nfs/dbraw/zinc/84/63/51/388846351.db2.gz KPVUAGKEHQJIOV-UHFFFAOYSA-N 0 3 249.329 3.103 20 30 BGEDHN C=CCN1CCC(Cc2ccccc2OC)CC1 ZINC000524002529 388345596 /nfs/dbraw/zinc/34/55/96/388345596.db2.gz MAOYRQOZYXQTMW-UHFFFAOYSA-N 0 3 245.366 3.136 20 30 BGEDHN C=C1CCN(CCCc2ccccc2)CC1 ZINC000524563453 388366120 /nfs/dbraw/zinc/36/61/20/388366120.db2.gz PYWDGBRDDMUWDV-UHFFFAOYSA-N 0 3 215.340 3.271 20 30 BGEDHN C=CCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000524619902 388368209 /nfs/dbraw/zinc/36/82/09/388368209.db2.gz NUBJAYUYFGHNTH-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN C=C1CCN(CCOC2CCCCCC2)CC1 ZINC000524907632 388413105 /nfs/dbraw/zinc/41/31/05/388413105.db2.gz YFIHMARPRXBSJC-UHFFFAOYSA-N 0 3 237.387 3.378 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000525109235 388416097 /nfs/dbraw/zinc/41/60/97/388416097.db2.gz YRMZJOATZLIOJF-CYBMUJFWSA-N 0 3 233.742 3.153 20 30 BGEDHN CC#CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000525109236 388415345 /nfs/dbraw/zinc/41/53/45/388415345.db2.gz YRMZJOATZLIOJF-ZDUSSCGKSA-N 0 3 233.742 3.153 20 30 BGEDHN CC#CCN(CCC)CCc1cccc(F)c1 ZINC000525109370 388415736 /nfs/dbraw/zinc/41/57/36/388415736.db2.gz ASMLQVSMLRJKHG-UHFFFAOYSA-N 0 3 233.330 3.104 20 30 BGEDHN CC#CCN1CCC[C@H](c2ccccc2)CC1 ZINC000525118912 388417210 /nfs/dbraw/zinc/41/72/10/388417210.db2.gz BCSYQFHFIDGYEM-INIZCTEOSA-N 0 3 227.351 3.279 20 30 BGEDHN CC#CCN1CCC[C@@H](c2ccccc2)CC1 ZINC000525118913 388416557 /nfs/dbraw/zinc/41/65/57/388416557.db2.gz BCSYQFHFIDGYEM-MRXNPFEDSA-N 0 3 227.351 3.279 20 30 BGEDHN CC#CCN(CCC)[C@H]1CCc2ccccc21 ZINC000525119941 388417134 /nfs/dbraw/zinc/41/71/34/388417134.db2.gz DQXANNNADGHWDO-INIZCTEOSA-N 0 3 227.351 3.409 20 30 BGEDHN CC#CCN(CCC)[C@@H]1CCc2ccccc21 ZINC000525119942 388416936 /nfs/dbraw/zinc/41/69/36/388416936.db2.gz DQXANNNADGHWDO-MRXNPFEDSA-N 0 3 227.351 3.409 20 30 BGEDHN CC#CCN(CC)[C@@H](CC)c1ccccc1 ZINC000525120065 388417018 /nfs/dbraw/zinc/41/70/18/388417018.db2.gz QGEPFFMZVGACOA-HNNXBMFYSA-N 0 3 215.340 3.483 20 30 BGEDHN CC#CCN(CC)[C@H](CC)c1ccccc1 ZINC000525120066 388417219 /nfs/dbraw/zinc/41/72/19/388417219.db2.gz QGEPFFMZVGACOA-OAHLLOKOSA-N 0 3 215.340 3.483 20 30 BGEDHN CC#CCN(Cc1ccccc1)CC1CCC1 ZINC000525120146 388415913 /nfs/dbraw/zinc/41/59/13/388415913.db2.gz XOZPFJVZMAAYEC-UHFFFAOYSA-N 0 3 227.351 3.312 20 30 BGEDHN CC#CCN1CCC(CCc2ccccc2)CC1 ZINC000525120155 388417181 /nfs/dbraw/zinc/41/71/81/388417181.db2.gz YCIULWGMOXGYEY-UHFFFAOYSA-N 0 3 241.378 3.355 20 30 BGEDHN CC#CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000525120363 388417034 /nfs/dbraw/zinc/41/70/34/388417034.db2.gz PBCMHRHWYNQIHZ-UHFFFAOYSA-N 0 3 245.341 3.104 20 30 BGEDHN CC#CCN(C)[C@H]1CCCc2ccccc21 ZINC000525120543 388416354 /nfs/dbraw/zinc/41/63/54/388416354.db2.gz FJOLSTIITKLHQT-HNNXBMFYSA-N 0 3 213.324 3.019 20 30 BGEDHN CC#CCN(C)[C@@H]1CCCc2ccccc21 ZINC000525120544 388416929 /nfs/dbraw/zinc/41/69/29/388416929.db2.gz FJOLSTIITKLHQT-OAHLLOKOSA-N 0 3 213.324 3.019 20 30 BGEDHN CC#CCN(Cc1ccc(CC)cc1)C1CC1 ZINC000525120989 388416341 /nfs/dbraw/zinc/41/63/41/388416341.db2.gz IPIUOUNHQNUWHT-UHFFFAOYSA-N 0 3 227.351 3.237 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525123138 388416400 /nfs/dbraw/zinc/41/64/00/388416400.db2.gz WTLTVCKDRUMONZ-GDBMZVCRSA-N 0 3 227.351 3.135 20 30 BGEDHN CC#CCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525123139 388416626 /nfs/dbraw/zinc/41/66/26/388416626.db2.gz 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CDVNGORWKKGKBK-LSDHHAIUSA-N 0 3 249.398 3.069 20 30 BGEDHN CC#CCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000525126108 388417677 /nfs/dbraw/zinc/41/76/77/388417677.db2.gz PIEUEWWMSZPZSG-UHFFFAOYSA-N 0 3 227.351 3.291 20 30 BGEDHN CC#CCN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000525127241 388417609 /nfs/dbraw/zinc/41/76/09/388417609.db2.gz ZWBYTPNDBQFIIK-GFCCVEGCSA-N 0 3 235.758 3.226 20 30 BGEDHN CC#CCN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000525127245 388417595 /nfs/dbraw/zinc/41/75/95/388417595.db2.gz ZWBYTPNDBQFIIK-LBPRGKRZSA-N 0 3 235.758 3.226 20 30 BGEDHN C=CCN(CC=C)CCOC1CCCCCC1 ZINC000525422671 388428920 /nfs/dbraw/zinc/42/89/20/388428920.db2.gz HEIANWHVBHSQFH-UHFFFAOYSA-N 0 3 237.387 3.400 20 30 BGEDHN CC#CCN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000525632878 259352322 /nfs/dbraw/zinc/35/23/22/259352322.db2.gz PSRBKUPTPOFPBE-INIZCTEOSA-N 0 3 227.351 3.464 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000525632879 259352384 /nfs/dbraw/zinc/35/23/84/259352384.db2.gz PSRBKUPTPOFPBE-MRXNPFEDSA-N 0 3 227.351 3.464 20 30 BGEDHN CC#CCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000525633013 259352314 /nfs/dbraw/zinc/35/23/14/259352314.db2.gz BPTDOXOWPTXRLR-GFCCVEGCSA-N 0 3 219.303 3.232 20 30 BGEDHN CC#CCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000525633014 259352279 /nfs/dbraw/zinc/35/22/79/259352279.db2.gz BPTDOXOWPTXRLR-LBPRGKRZSA-N 0 3 219.303 3.232 20 30 BGEDHN CC#CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000525633169 384460774 /nfs/dbraw/zinc/46/07/74/384460774.db2.gz PLNBTOKFDCWOMI-AWEZNQCLSA-N 0 3 247.769 3.370 20 30 BGEDHN CC#CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000525633170 384460650 /nfs/dbraw/zinc/46/06/50/384460650.db2.gz PLNBTOKFDCWOMI-CQSZACIVSA-N 0 3 247.769 3.370 20 30 BGEDHN CC#CCN1CCC[C@H]1c1cccc(C)c1 ZINC000525633254 384459672 /nfs/dbraw/zinc/45/96/72/384459672.db2.gz XXTBFNGCLGZSAG-HNNXBMFYSA-N 0 3 213.324 3.155 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1cccc(C)c1 ZINC000525633255 384460435 /nfs/dbraw/zinc/46/04/35/384460435.db2.gz XXTBFNGCLGZSAG-OAHLLOKOSA-N 0 3 213.324 3.155 20 30 BGEDHN CC#CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000525633559 259352543 /nfs/dbraw/zinc/35/25/43/259352543.db2.gz CCHNLUXJBRSPQF-LLVKDONJSA-N 0 3 221.731 3.356 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000525633560 259352443 /nfs/dbraw/zinc/35/24/43/259352443.db2.gz CCHNLUXJBRSPQF-NSHDSACASA-N 0 3 221.731 3.356 20 30 BGEDHN CC#CCN1CCC[C@H]1c1ccc(OCC)cc1 ZINC000525633885 259352449 /nfs/dbraw/zinc/35/24/49/259352449.db2.gz IBYFAXXVYOXEGC-INIZCTEOSA-N 0 3 243.350 3.246 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000525633886 259352603 /nfs/dbraw/zinc/35/26/03/259352603.db2.gz IBYFAXXVYOXEGC-MRXNPFEDSA-N 0 3 243.350 3.246 20 30 BGEDHN CC#CCN(Cc1ccccc1)CC(C)C ZINC000525633907 259352469 /nfs/dbraw/zinc/35/24/69/259352469.db2.gz KIKPGENXTXEXSW-UHFFFAOYSA-N 0 3 215.340 3.168 20 30 BGEDHN CC#CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000525634170 384477997 /nfs/dbraw/zinc/47/79/97/384477997.db2.gz DUVGGYPQVRZVCQ-LLVKDONJSA-N 0 3 221.731 3.356 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000525634171 384476875 /nfs/dbraw/zinc/47/68/75/384476875.db2.gz DUVGGYPQVRZVCQ-NSHDSACASA-N 0 3 221.731 3.356 20 30 BGEDHN CC#CCN1CCC[C@H]1c1cccc(C)c1C ZINC000525636684 259352990 /nfs/dbraw/zinc/35/29/90/259352990.db2.gz IMGBCZBUEJKLDI-INIZCTEOSA-N 0 3 227.351 3.464 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1cccc(C)c1C ZINC000525636685 259353078 /nfs/dbraw/zinc/35/30/78/259353078.db2.gz IMGBCZBUEJKLDI-MRXNPFEDSA-N 0 3 227.351 3.464 20 30 BGEDHN C=CCOc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000525996922 388452799 /nfs/dbraw/zinc/45/27/99/388452799.db2.gz VNNQEBUDNSZDLV-BETUJISGSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000525996923 388453010 /nfs/dbraw/zinc/45/30/10/388453010.db2.gz VNNQEBUDNSZDLV-CHWSQXEVSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000525996924 388452394 /nfs/dbraw/zinc/45/23/94/388452394.db2.gz VNNQEBUDNSZDLV-STQMWFEESA-N 0 3 231.339 3.234 20 30 BGEDHN CCc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000526058016 259376991 /nfs/dbraw/zinc/37/69/91/259376991.db2.gz BEEUBHJYDVYAFE-UHFFFAOYSA-N 0 3 242.366 3.375 20 30 BGEDHN C=CCN(Cc1ccccc1CC)C1CC1 ZINC000526083452 323188281 /nfs/dbraw/zinc/18/82/81/323188281.db2.gz CUCXOQUAIYXNQQ-UHFFFAOYSA-N 0 3 215.340 3.399 20 30 BGEDHN N#Cc1ccc(CNC2(C3CC3)CC2)c(Cl)c1 ZINC000526135317 268232540 /nfs/dbraw/zinc/23/25/40/268232540.db2.gz BAGSWFRPVUFDEC-UHFFFAOYSA-N 0 3 246.741 3.244 20 30 BGEDHN C=C1CCN(Cc2ccccc2CC)CC1 ZINC000527074034 386775721 /nfs/dbraw/zinc/77/57/21/386775721.db2.gz INUNXTAZNYBNAU-UHFFFAOYSA-N 0 3 215.340 3.401 20 30 BGEDHN CCN(CC1(F)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000527218736 388697370 /nfs/dbraw/zinc/69/73/70/388697370.db2.gz IYWNKDOTLVJMQK-GFCCVEGCSA-N 0 3 246.329 3.443 20 30 BGEDHN CCN(CC1(F)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000527218737 388696995 /nfs/dbraw/zinc/69/69/95/388696995.db2.gz IYWNKDOTLVJMQK-LBPRGKRZSA-N 0 3 246.329 3.443 20 30 BGEDHN CCCN(Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000527218987 388697464 /nfs/dbraw/zinc/69/74/64/388697464.db2.gz GZHOSNCBPRZPNY-UHFFFAOYSA-N 0 3 246.329 3.272 20 30 BGEDHN C=C1CCN(CCCCOc2ccccc2)CC1 ZINC000527366621 386446836 /nfs/dbraw/zinc/44/68/36/386446836.db2.gz GMBKMSVYLYRRNN-UHFFFAOYSA-N 0 3 245.366 3.498 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1C2CCC1CC2 ZINC000527481695 388700216 /nfs/dbraw/zinc/70/02/16/388700216.db2.gz ARWSWYJHXBOBBU-QGLTVNCISA-N 0 3 226.323 3.246 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1C2CCC1CC2 ZINC000527481696 388699452 /nfs/dbraw/zinc/69/94/52/388699452.db2.gz ARWSWYJHXBOBBU-VCANKDNSSA-N 0 3 226.323 3.246 20 30 BGEDHN C=CCOc1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000527529569 387597893 /nfs/dbraw/zinc/59/78/93/387597893.db2.gz CWGPTDUAOPZHHF-BETUJISGSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1ccccc1CN1[C@H](C)C[C@H]1C ZINC000527529570 387598655 /nfs/dbraw/zinc/59/86/55/387598655.db2.gz CWGPTDUAOPZHHF-CHWSQXEVSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000527529571 387598289 /nfs/dbraw/zinc/59/82/89/387598289.db2.gz CWGPTDUAOPZHHF-STQMWFEESA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCNCc1ccsc1C(F)(F)F ZINC000527630174 387641819 /nfs/dbraw/zinc/64/18/19/387641819.db2.gz YAZPRQRWQSTBMP-UHFFFAOYSA-N 0 3 221.247 3.043 20 30 BGEDHN C=C(C)CNCc1ccsc1C(F)(F)F ZINC000527703781 387668807 /nfs/dbraw/zinc/66/88/07/387668807.db2.gz BMPYAXPDVWLMAW-UHFFFAOYSA-N 0 3 235.274 3.433 20 30 BGEDHN CC1(C)CCC[C@@H]1CCNCc1ccc(C#N)o1 ZINC000527726753 388699609 /nfs/dbraw/zinc/69/96/09/388699609.db2.gz DNHQKFIVPTVNHG-GFCCVEGCSA-N 0 3 246.354 3.457 20 30 BGEDHN CC1(C)CCC[C@H]1CCNCc1ccc(C#N)o1 ZINC000527726761 388699527 /nfs/dbraw/zinc/69/95/27/388699527.db2.gz DNHQKFIVPTVNHG-LBPRGKRZSA-N 0 3 246.354 3.457 20 30 BGEDHN C=CC(C)(C)CCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000527927062 323732599 /nfs/dbraw/zinc/73/25/99/323732599.db2.gz RDEKDZUESJLZOK-NEPJUHHUSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CC(C)(C)CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000527927063 387792943 /nfs/dbraw/zinc/79/29/43/387792943.db2.gz RDEKDZUESJLZOK-NWDGAFQWSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CC(C)(C)CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000527927064 387793218 /nfs/dbraw/zinc/79/32/18/387793218.db2.gz RDEKDZUESJLZOK-RYUDHWBXSA-N 0 3 233.359 3.081 20 30 BGEDHN C=CC(C)(C)CCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000527927065 387792693 /nfs/dbraw/zinc/79/26/93/387792693.db2.gz RDEKDZUESJLZOK-VXGBXAGGSA-N 0 3 233.359 3.081 20 30 BGEDHN CC1(C)CC(CN(CCC#N)CC2CC2)C1 ZINC000528397502 387585523 /nfs/dbraw/zinc/58/55/23/387585523.db2.gz CWTYYEXGKGYMOB-UHFFFAOYSA-N 0 3 220.360 3.048 20 30 BGEDHN C/C(Cl)=C/CN[C@@H](C)c1ccc(C#N)cc1 ZINC000528439382 388707669 /nfs/dbraw/zinc/70/76/69/388707669.db2.gz UXDHMOPRRLNTLC-BRNRAETOSA-N 0 3 234.730 3.351 20 30 BGEDHN C/C(Cl)=C\CN[C@@H](C)c1ccc(C#N)cc1 ZINC000528439386 388708025 /nfs/dbraw/zinc/70/80/25/388708025.db2.gz UXDHMOPRRLNTLC-HUYFXPKMSA-N 0 3 234.730 3.351 20 30 BGEDHN C/C(Cl)=C\CN[C@H](C)c1ccc(C#N)cc1 ZINC000528439390 388708011 /nfs/dbraw/zinc/70/80/11/388708011.db2.gz UXDHMOPRRLNTLC-PFEDMVJOSA-N 0 3 234.730 3.351 20 30 BGEDHN C/C(Cl)=C/CN[C@H](C)c1ccc(C#N)cc1 ZINC000528439393 388707653 /nfs/dbraw/zinc/70/76/53/388707653.db2.gz UXDHMOPRRLNTLC-ZJRUKIMVSA-N 0 3 234.730 3.351 20 30 BGEDHN C=CCCN(C)Cc1cccnc1C(F)(F)F ZINC000528469880 388531145 /nfs/dbraw/zinc/53/11/45/388531145.db2.gz CIFDZSVWLHYNMP-UHFFFAOYSA-N 0 3 244.260 3.108 20 30 BGEDHN C=C(C)CN1CCC(Oc2cccc(F)c2)CC1 ZINC000528573680 388403158 /nfs/dbraw/zinc/40/31/58/388403158.db2.gz DZDWZFZOZSFKQJ-UHFFFAOYSA-N 0 3 249.329 3.245 20 30 BGEDHN C=CCN1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000528622338 384555194 /nfs/dbraw/zinc/55/51/94/384555194.db2.gz SNWGXJXUFWITDF-HNNXBMFYSA-N 0 3 245.366 3.307 20 30 BGEDHN C=CCN1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000528622343 384555165 /nfs/dbraw/zinc/55/51/65/384555165.db2.gz SNWGXJXUFWITDF-OAHLLOKOSA-N 0 3 245.366 3.307 20 30 BGEDHN C=C(C)CN[C@H](c1ccccn1)C1CCC1 ZINC000528652909 388555731 /nfs/dbraw/zinc/55/57/31/388555731.db2.gz VCQHDJZQSJRKCM-AWEZNQCLSA-N 0 3 216.328 3.089 20 30 BGEDHN C=C(C)CN[C@@H](c1ccccn1)C1CCC1 ZINC000528652912 388555646 /nfs/dbraw/zinc/55/56/46/388555646.db2.gz VCQHDJZQSJRKCM-CQSZACIVSA-N 0 3 216.328 3.089 20 30 BGEDHN C=C(CC)CN[C@H](c1ccccn1)C1CCC1 ZINC000528660158 388556646 /nfs/dbraw/zinc/55/66/46/388556646.db2.gz QCCBUGDFPWYDIP-HNNXBMFYSA-N 0 3 230.355 3.479 20 30 BGEDHN C=C(CC)CN[C@@H](c1ccccn1)C1CCC1 ZINC000528660160 388556274 /nfs/dbraw/zinc/55/62/74/388556274.db2.gz QCCBUGDFPWYDIP-OAHLLOKOSA-N 0 3 230.355 3.479 20 30 BGEDHN C=C(C)CNC(C)(C)c1ccc(OC)c(F)c1 ZINC000528676399 388557024 /nfs/dbraw/zinc/55/70/24/388557024.db2.gz TTWSSVPLWPFQRO-UHFFFAOYSA-N 0 3 237.318 3.235 20 30 BGEDHN C=CCN1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528734534 388564072 /nfs/dbraw/zinc/56/40/72/388564072.db2.gz KZKXEIYFJYEYHJ-INIZCTEOSA-N 0 3 243.350 3.032 20 30 BGEDHN C=CCN1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528734535 388564066 /nfs/dbraw/zinc/56/40/66/388564066.db2.gz KZKXEIYFJYEYHJ-MRXNPFEDSA-N 0 3 243.350 3.032 20 30 BGEDHN C=C(CC)CN1CCC(F)(F)C[C@@H]1C ZINC000528766387 388570580 /nfs/dbraw/zinc/57/05/80/388570580.db2.gz FFIZLRRNUBEIQE-JTQLQIEISA-N 0 3 203.276 3.072 20 30 BGEDHN C=C(CC)CN1CCC(F)(F)C[C@H]1C ZINC000528766395 388570408 /nfs/dbraw/zinc/57/04/08/388570408.db2.gz FFIZLRRNUBEIQE-SNVBAGLBSA-N 0 3 203.276 3.072 20 30 BGEDHN C[C@@H]1CC(F)(F)CCN1CCCC(C)(C)C#N ZINC000528769736 387658787 /nfs/dbraw/zinc/65/87/87/387658787.db2.gz SNFGMAMYHGVYJO-LLVKDONJSA-N 0 3 244.329 3.436 20 30 BGEDHN C[C@H]1CC(F)(F)CCN1CCCC(C)(C)C#N ZINC000528769752 387658234 /nfs/dbraw/zinc/65/82/34/387658234.db2.gz SNFGMAMYHGVYJO-NSHDSACASA-N 0 3 244.329 3.436 20 30 BGEDHN C[C@H]1CC(F)(F)CCN1CCC(C)(C)C#N ZINC000528773406 387691459 /nfs/dbraw/zinc/69/14/59/387691459.db2.gz QAYLDZQOZOTLSM-JTQLQIEISA-N 0 3 230.302 3.046 20 30 BGEDHN C[C@@H]1CC(F)(F)CCN1CCC(C)(C)C#N ZINC000528773411 387693141 /nfs/dbraw/zinc/69/31/41/387693141.db2.gz QAYLDZQOZOTLSM-SNVBAGLBSA-N 0 3 230.302 3.046 20 30 BGEDHN C=C(CC)CN[C@H](c1ccc(OC)nc1)C1CC1 ZINC000528853193 388579300 /nfs/dbraw/zinc/57/93/00/388579300.db2.gz QHXNYHGABUMLIC-HNNXBMFYSA-N 0 3 246.354 3.097 20 30 BGEDHN C=C(CC)CN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000528853195 388579551 /nfs/dbraw/zinc/57/95/51/388579551.db2.gz QHXNYHGABUMLIC-OAHLLOKOSA-N 0 3 246.354 3.097 20 30 BGEDHN C=C1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529532184 324327337 /nfs/dbraw/zinc/32/73/37/324327337.db2.gz WYCGUTOHURTANT-UHFFFAOYSA-N 0 3 226.323 3.320 20 30 BGEDHN C=CCN(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529543417 324333805 /nfs/dbraw/zinc/33/38/05/324333805.db2.gz UBRNGLXCAHXGCC-UHFFFAOYSA-N 0 3 226.323 3.318 20 30 BGEDHN C=C(C)CN(C)Cc1ccc2cc[nH]c2c1 ZINC000529544174 324334600 /nfs/dbraw/zinc/33/46/00/324334600.db2.gz XJHZRROLYBALMR-UHFFFAOYSA-N 0 3 214.312 3.176 20 30 BGEDHN CC(C)(CCC#N)CN1CC(Cc2ccco2)C1 ZINC000529648773 324371588 /nfs/dbraw/zinc/37/15/88/324371588.db2.gz KAZCOBCJUMGHTG-UHFFFAOYSA-N 0 3 246.354 3.084 20 30 BGEDHN C=CCN(CC=C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530465705 322814185 /nfs/dbraw/zinc/81/41/85/322814185.db2.gz HSLIIWZMFZECQY-AWEZNQCLSA-N 0 3 235.371 3.152 20 30 BGEDHN C=CCN(CC=C)C[C@H]1CCC2(CCCC2)O1 ZINC000530465709 322814208 /nfs/dbraw/zinc/81/42/08/322814208.db2.gz HSLIIWZMFZECQY-CQSZACIVSA-N 0 3 235.371 3.152 20 30 BGEDHN Clc1ccc(C#CCN2C3CCC2CC3)cc1 ZINC000530939458 322899337 /nfs/dbraw/zinc/89/93/37/322899337.db2.gz YYSLEONSOUIBGW-UHFFFAOYSA-N 0 3 245.753 3.318 20 30 BGEDHN CN(CCCC(C)(C)C#N)Cc1cccc(O)c1 ZINC000531378536 323088395 /nfs/dbraw/zinc/08/83/95/323088395.db2.gz ROXLTDMEMLBUOK-UHFFFAOYSA-N 0 3 246.354 3.154 20 30 BGEDHN C=CCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000531982384 323163197 /nfs/dbraw/zinc/16/31/97/323163197.db2.gz RKWLAHVRNBFUHG-UHFFFAOYSA-N 0 3 244.382 3.002 20 30 BGEDHN C=CCN1CCC(Cc2ccccc2F)CC1 ZINC000532292761 323213471 /nfs/dbraw/zinc/21/34/71/323213471.db2.gz MUSNWZGFCHBKBT-UHFFFAOYSA-N 0 3 233.330 3.266 20 30 BGEDHN CCCCN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000532604602 323279615 /nfs/dbraw/zinc/27/96/15/323279615.db2.gz CWERVZXEZHZZRI-UHFFFAOYSA-N 0 3 245.341 3.442 20 30 BGEDHN CCCN(CC)CC#Cc1cccc(Cl)c1 ZINC000532607241 323279601 /nfs/dbraw/zinc/27/96/01/323279601.db2.gz DQWGUVHENLMNTI-UHFFFAOYSA-N 0 3 235.758 3.423 20 30 BGEDHN CC(C)[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000532608912 323279808 /nfs/dbraw/zinc/27/98/08/323279808.db2.gz OQKAESNQFNFWPE-CYBMUJFWSA-N 0 3 233.330 3.154 20 30 BGEDHN CC(C)[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000532608913 323279456 /nfs/dbraw/zinc/27/94/56/323279456.db2.gz OQKAESNQFNFWPE-ZDUSSCGKSA-N 0 3 233.330 3.154 20 30 BGEDHN CC#CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000532688745 323290734 /nfs/dbraw/zinc/29/07/34/323290734.db2.gz WDPLZQJKVUVVID-HNNXBMFYSA-N 0 3 231.314 3.280 20 30 BGEDHN CC#CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000532688746 323290224 /nfs/dbraw/zinc/29/02/24/323290224.db2.gz WDPLZQJKVUVVID-OAHLLOKOSA-N 0 3 231.314 3.280 20 30 BGEDHN CC#CCNC1(c2ccc(F)cc2)CCCC1 ZINC000532698064 323289550 /nfs/dbraw/zinc/28/95/50/323289550.db2.gz ZHHNVMJKLBZXLN-UHFFFAOYSA-N 0 3 231.314 3.208 20 30 BGEDHN C=CCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000532699874 323289783 /nfs/dbraw/zinc/28/97/83/323289783.db2.gz CERGGGKUFMZWSP-UHFFFAOYSA-N 0 3 240.350 3.492 20 30 BGEDHN Clc1cccc(C#CCN2C3CCC2CC3)c1 ZINC000532995081 323808127 /nfs/dbraw/zinc/80/81/27/323808127.db2.gz RZKTUBWDICYMJE-UHFFFAOYSA-N 0 3 245.753 3.318 20 30 BGEDHN CC(C)N(Cc1ccc(F)cc1C#N)CC1CC1 ZINC000533035078 388723619 /nfs/dbraw/zinc/72/36/19/388723619.db2.gz LYFVBODJUHLHBU-UHFFFAOYSA-N 0 3 246.329 3.318 20 30 BGEDHN C=CCC[C@H](NCc1cc(CC)no1)C1CC1 ZINC000533038173 387925720 /nfs/dbraw/zinc/92/57/20/387925720.db2.gz RLZPSWIKUXOKHA-AWEZNQCLSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CCC[C@@H](NCc1cc(CC)no1)C1CC1 ZINC000533038174 387925132 /nfs/dbraw/zinc/92/51/32/387925132.db2.gz RLZPSWIKUXOKHA-CQSZACIVSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CCN(CC=C)CCc1ccc(C)cc1 ZINC000533239534 388032826 /nfs/dbraw/zinc/03/28/26/388032826.db2.gz VWAITUNGOJOJFY-UHFFFAOYSA-N 0 3 215.340 3.212 20 30 BGEDHN CCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000533323517 359792162 /nfs/dbraw/zinc/79/21/62/359792162.db2.gz SRHYLGAQYWSZKL-CYBMUJFWSA-N 0 3 233.330 3.298 20 30 BGEDHN CCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000533323524 359792297 /nfs/dbraw/zinc/79/22/97/359792297.db2.gz SRHYLGAQYWSZKL-ZDUSSCGKSA-N 0 3 233.330 3.298 20 30 BGEDHN C=C1CCN(CCc2ccc(C)cc2)CC1 ZINC000533418348 384290249 /nfs/dbraw/zinc/29/02/49/384290249.db2.gz LDHCRCVLIRCIJQ-UHFFFAOYSA-N 0 3 215.340 3.190 20 30 BGEDHN CC1(C)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000533469152 384346815 /nfs/dbraw/zinc/34/68/15/384346815.db2.gz ABCAYUPZEJMQMJ-UHFFFAOYSA-N 0 3 245.341 3.299 20 30 BGEDHN CC#CCN(C1CC1)[C@H]1CCc2ccccc21 ZINC000533487521 384364459 /nfs/dbraw/zinc/36/44/59/384364459.db2.gz BGEGVMZDIMTXMX-INIZCTEOSA-N 0 3 225.335 3.162 20 30 BGEDHN CC#CCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000533487523 384366036 /nfs/dbraw/zinc/36/60/36/384366036.db2.gz BGEGVMZDIMTXMX-MRXNPFEDSA-N 0 3 225.335 3.162 20 30 BGEDHN C=CCCN1CCc2cc(OCCC)ccc2C1 ZINC000533538459 384519891 /nfs/dbraw/zinc/51/98/91/384519891.db2.gz GXYFMICCUBLHLW-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN CC(C)N(Cc1ccc(C#N)s1)CC1CC1 ZINC000534337028 323117896 /nfs/dbraw/zinc/11/78/96/323117896.db2.gz HDPUPZCNCUMDPO-UHFFFAOYSA-N 0 3 234.368 3.240 20 30 BGEDHN C=C(C)CN1Cc2ccccc2C(C)(C)C1 ZINC000534668178 323158775 /nfs/dbraw/zinc/15/87/75/323158775.db2.gz MZQMGCXKQKHVOR-UHFFFAOYSA-N 0 3 215.340 3.356 20 30 BGEDHN C=CCOc1cccc(CN2C3CCC2CC3)c1 ZINC000535067329 323165112 /nfs/dbraw/zinc/16/51/12/323165112.db2.gz PSBVSJBCWNVGMV-UHFFFAOYSA-N 0 3 243.350 3.378 20 30 BGEDHN C[C@H](N(C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000535085030 323166002 /nfs/dbraw/zinc/16/60/02/323166002.db2.gz DJRBASWRQXMXAK-JTQLQIEISA-N 0 3 220.316 3.018 20 30 BGEDHN C[C@@H](N(C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000535085039 323165988 /nfs/dbraw/zinc/16/59/88/323165988.db2.gz DJRBASWRQXMXAK-SNVBAGLBSA-N 0 3 220.316 3.018 20 30 BGEDHN C[C@H](N(C)Cc1ccc(C#N)s1)C(C)(C)C ZINC000535085173 323165996 /nfs/dbraw/zinc/16/59/96/323165996.db2.gz GLSMLNVVRXUQAX-JTQLQIEISA-N 0 3 236.384 3.486 20 30 BGEDHN C[C@@H](N(C)Cc1ccc(C#N)s1)C(C)(C)C ZINC000535085178 323166014 /nfs/dbraw/zinc/16/60/14/323166014.db2.gz GLSMLNVVRXUQAX-SNVBAGLBSA-N 0 3 236.384 3.486 20 30 BGEDHN C=C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000535086264 323166355 /nfs/dbraw/zinc/16/63/55/323166355.db2.gz QHJUMVQDEVSYDN-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN C=CCN(CC=C)Cc1ccnc2ccccc12 ZINC000535775804 323191086 /nfs/dbraw/zinc/19/10/86/323191086.db2.gz AZMONXAMABYODL-UHFFFAOYSA-N 0 3 238.334 3.409 20 30 BGEDHN CCN(CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000535782398 323191294 /nfs/dbraw/zinc/19/12/94/323191294.db2.gz QDJYDXKLTVHKBB-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN CCN(CCC#N)C[C@H]1CCCC(C)(C)C1 ZINC000535782400 323191242 /nfs/dbraw/zinc/19/12/42/323191242.db2.gz QDJYDXKLTVHKBB-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@@H]1CCCC(C)(C)C1 ZINC000535787270 323191485 /nfs/dbraw/zinc/19/14/85/323191485.db2.gz OSLGKNXRRNTPCX-CHWSQXEVSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@H]1CCCC(C)(C)C1 ZINC000535787299 323191615 /nfs/dbraw/zinc/19/16/15/323191615.db2.gz OSLGKNXRRNTPCX-OLZOCXBDSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@@H]1CCCC(C)(C)C1 ZINC000535787300 323191599 /nfs/dbraw/zinc/19/15/99/323191599.db2.gz OSLGKNXRRNTPCX-QWHCGFSZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@H]1CCCC(C)(C)C1 ZINC000535787301 323191567 /nfs/dbraw/zinc/19/15/67/323191567.db2.gz OSLGKNXRRNTPCX-STQMWFEESA-N 0 3 222.376 3.294 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(Cl)c(F)c1 ZINC000536489089 384872676 /nfs/dbraw/zinc/87/26/76/384872676.db2.gz ZFEDXBXUAVCPSV-UHFFFAOYSA-N 0 3 227.710 3.487 20 30 BGEDHN C=CCOc1ccccc1CN1C2CCC1CC2 ZINC000536628132 323198847 /nfs/dbraw/zinc/19/88/47/323198847.db2.gz YOONTXPWFGLHPQ-UHFFFAOYSA-N 0 3 243.350 3.378 20 30 BGEDHN CCC(CC)N(Cc1ccc(C#N)o1)C1CC1 ZINC000536649633 323199627 /nfs/dbraw/zinc/19/96/27/323199627.db2.gz UJFHFYJBKNFELY-UHFFFAOYSA-N 0 3 232.327 3.304 20 30 BGEDHN C[C@H](N(C)Cc1cc(C#N)cs1)C(C)(C)C ZINC000536655983 323200062 /nfs/dbraw/zinc/20/00/62/323200062.db2.gz SDEHNUIMUGZAJC-JTQLQIEISA-N 0 3 236.384 3.486 20 30 BGEDHN C[C@@H](N(C)Cc1cc(C#N)cs1)C(C)(C)C ZINC000536655984 323199959 /nfs/dbraw/zinc/19/99/59/323199959.db2.gz SDEHNUIMUGZAJC-SNVBAGLBSA-N 0 3 236.384 3.486 20 30 BGEDHN C=C1CCN(Cc2ccc(CC)s2)CC1 ZINC000536657612 323199983 /nfs/dbraw/zinc/19/99/83/323199983.db2.gz ZOAUVAKEMOPXQD-UHFFFAOYSA-N 0 3 221.369 3.463 20 30 BGEDHN C=CC1CCN(Cc2cccc(OCC)c2)CC1 ZINC000536672320 323200588 /nfs/dbraw/zinc/20/05/88/323200588.db2.gz VDRYNRJIEOLCIW-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000536740720 323202473 /nfs/dbraw/zinc/20/24/73/323202473.db2.gz LMPJBWAKCFUBRO-BFHYXJOUSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000536740721 323202468 /nfs/dbraw/zinc/20/24/68/323202468.db2.gz LMPJBWAKCFUBRO-MCIONIFRSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000536740722 323202572 /nfs/dbraw/zinc/20/25/72/323202572.db2.gz LMPJBWAKCFUBRO-MGPQQGTHSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000536740723 323202609 /nfs/dbraw/zinc/20/26/09/323202609.db2.gz LMPJBWAKCFUBRO-MJBXVCDLSA-N 0 3 234.387 3.437 20 30 BGEDHN C=CCN(CCCOc1ccccc1C)C1CC1 ZINC000536742937 323202904 /nfs/dbraw/zinc/20/29/04/323202904.db2.gz GIZWWKQGMGFRMT-UHFFFAOYSA-N 0 3 245.366 3.414 20 30 BGEDHN C=C(CC)CN(C)CCOc1ccc(C)cc1 ZINC000536880743 388054440 /nfs/dbraw/zinc/05/44/40/388054440.db2.gz GGVQZIBBALDAMC-UHFFFAOYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(CC)CN(C)CCOc1ccccc1F ZINC000536881068 388069975 /nfs/dbraw/zinc/06/99/75/388069975.db2.gz IJAJOYKQKJORDU-UHFFFAOYSA-N 0 3 237.318 3.103 20 30 BGEDHN C=C(CC)CN(C)CCOc1ccc(F)cc1 ZINC000536882093 388069556 /nfs/dbraw/zinc/06/95/56/388069556.db2.gz UPZZQJNIBSHPTG-UHFFFAOYSA-N 0 3 237.318 3.103 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(OC)c(C)c1 ZINC000536890407 388081557 /nfs/dbraw/zinc/08/15/57/388081557.db2.gz UBBAFWFESOCHRX-UHFFFAOYSA-N 0 3 233.355 3.402 20 30 BGEDHN C=C(CC)CN1CCN(CCC(C)(C)C)CC1 ZINC000536893368 323890991 /nfs/dbraw/zinc/89/09/91/323890991.db2.gz LXCYVHMAUUTPSY-UHFFFAOYSA-N 0 3 238.419 3.006 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1ccccn1 ZINC000536893544 388078946 /nfs/dbraw/zinc/07/89/46/388078946.db2.gz NYFRSOWZRICFBD-AWEZNQCLSA-N 0 3 216.328 3.185 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1ccccn1 ZINC000536893555 388079530 /nfs/dbraw/zinc/07/95/30/388079530.db2.gz NYFRSOWZRICFBD-CQSZACIVSA-N 0 3 216.328 3.185 20 30 BGEDHN C=C(CC)CN1CC[C@H]1Cc1ccccc1 ZINC000536895005 388080285 /nfs/dbraw/zinc/08/02/85/388080285.db2.gz ZUXCJIHZZOHWFV-HNNXBMFYSA-N 0 3 215.340 3.270 20 30 BGEDHN C=C(CC)CN1CC[C@@H]1Cc1ccccc1 ZINC000536895009 388080945 /nfs/dbraw/zinc/08/09/45/388080945.db2.gz ZUXCJIHZZOHWFV-OAHLLOKOSA-N 0 3 215.340 3.270 20 30 BGEDHN C=CCCC[C@@H](C)N(CC)C[C@H](C)C#N ZINC000536994855 387136156 /nfs/dbraw/zinc/13/61/56/387136156.db2.gz XJQGUCLGHPKMTD-CHWSQXEVSA-N 0 3 208.349 3.213 20 30 BGEDHN C=CCCC[C@@H](C)N(CC)C[C@@H](C)C#N ZINC000536994856 387135942 /nfs/dbraw/zinc/13/59/42/387135942.db2.gz XJQGUCLGHPKMTD-QWHCGFSZSA-N 0 3 208.349 3.213 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1cnn(CC)c1 ZINC000537047283 324001260 /nfs/dbraw/zinc/00/12/60/324001260.db2.gz AKOYKLJZWDHRPY-CYBMUJFWSA-N 0 3 235.375 3.080 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1cnn(CC)c1 ZINC000537047284 324001156 /nfs/dbraw/zinc/00/11/56/324001156.db2.gz AKOYKLJZWDHRPY-ZDUSSCGKSA-N 0 3 235.375 3.080 20 30 BGEDHN C=C(CC)CNC1(c2ccc(OC)cc2)CC1 ZINC000537058354 323999317 /nfs/dbraw/zinc/99/93/17/323999317.db2.gz YNDYVHVXILVOLY-UHFFFAOYSA-N 0 3 231.339 3.240 20 30 BGEDHN C=C1CCN(C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000537181065 324027507 /nfs/dbraw/zinc/02/75/07/324027507.db2.gz IWOQYPKTYQJPRS-AWEZNQCLSA-N 0 3 245.366 3.451 20 30 BGEDHN C=C1CCN(C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000537181066 324027386 /nfs/dbraw/zinc/02/73/86/324027386.db2.gz IWOQYPKTYQJPRS-CQSZACIVSA-N 0 3 245.366 3.451 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@H]2C(C)C)c1 ZINC000537201559 324032151 /nfs/dbraw/zinc/03/21/51/324032151.db2.gz JESBNZKFXWGKOT-INIZCTEOSA-N 0 3 245.366 3.482 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@@H]2C(C)C)c1 ZINC000537201560 324032228 /nfs/dbraw/zinc/03/22/28/324032228.db2.gz JESBNZKFXWGKOT-MRXNPFEDSA-N 0 3 245.366 3.482 20 30 BGEDHN CC#CCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219130 324056481 /nfs/dbraw/zinc/05/64/81/324056481.db2.gz HLEJIRCJVOAFOV-HNNXBMFYSA-N 0 3 231.314 3.198 20 30 BGEDHN CC#CCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219145 324056574 /nfs/dbraw/zinc/05/65/74/324056574.db2.gz HLEJIRCJVOAFOV-OAHLLOKOSA-N 0 3 231.314 3.198 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccccn1 ZINC000537385854 324069901 /nfs/dbraw/zinc/06/99/01/324069901.db2.gz QPVFNUYHANCPSQ-AWEZNQCLSA-N 0 3 243.354 3.158 20 30 BGEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccccn1 ZINC000537385855 324069814 /nfs/dbraw/zinc/06/98/14/324069814.db2.gz QPVFNUYHANCPSQ-CQSZACIVSA-N 0 3 243.354 3.158 20 30 BGEDHN C=CCOc1cccc(CN2CC=C(C)CC2)c1 ZINC000537623176 324088208 /nfs/dbraw/zinc/08/82/08/324088208.db2.gz XJXNDCHOUCUFEL-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)s1 ZINC000537623259 324088529 /nfs/dbraw/zinc/08/85/29/324088529.db2.gz AOCBCZZSYIIDCN-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)s1 ZINC000537623263 324088130 /nfs/dbraw/zinc/08/81/30/324088130.db2.gz AOCBCZZSYIIDCN-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)s1 ZINC000537623264 324087826 /nfs/dbraw/zinc/08/78/26/324087826.db2.gz AOCBCZZSYIIDCN-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)s1 ZINC000537623265 324087777 /nfs/dbraw/zinc/08/77/77/324087777.db2.gz AOCBCZZSYIIDCN-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN C=CCOc1ccccc1CN(CC)CC1CC1 ZINC000537629710 324090535 /nfs/dbraw/zinc/09/05/35/324090535.db2.gz XUKSXWLRRBXART-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CCOc1cccc(CN2CCC2(C)C)c1 ZINC000537633021 324090102 /nfs/dbraw/zinc/09/01/02/324090102.db2.gz FBIXUODRSWUPLW-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN C=CCOc1ccccc1CN1CCC(C)(C)C1 ZINC000537633800 324091781 /nfs/dbraw/zinc/09/17/81/324091781.db2.gz KCGARHIJUIABCM-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CCOc1ccccc1CN(C)CCC1CC1 ZINC000537693282 324097674 /nfs/dbraw/zinc/09/76/74/324097674.db2.gz SXFQHBVHWVTQKQ-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000537710319 324098657 /nfs/dbraw/zinc/09/86/57/324098657.db2.gz MRDNRTFOSLKGSP-LLVKDONJSA-N 0 3 234.368 3.098 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000537710324 324098374 /nfs/dbraw/zinc/09/83/74/324098374.db2.gz MRDNRTFOSLKGSP-NSHDSACASA-N 0 3 234.368 3.098 20 30 BGEDHN C=CCN(CCc1ccc(C)cc1)C1CC1 ZINC000537853075 324108892 /nfs/dbraw/zinc/10/88/92/324108892.db2.gz FRGWVHLVQBSAPQ-UHFFFAOYSA-N 0 3 215.340 3.188 20 30 BGEDHN C=CCN(Cc1c(C)cccc1C)C1CC1 ZINC000537853577 324108947 /nfs/dbraw/zinc/10/89/47/324108947.db2.gz QGUGDNIBRQGXJA-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN C=CCN(CCOC1CCCCCC1)C1CC1 ZINC000537855107 324108221 /nfs/dbraw/zinc/10/82/21/324108221.db2.gz PWJPBYWPMSRQSY-UHFFFAOYSA-N 0 3 237.387 3.376 20 30 BGEDHN C=C(CC)CN(C)CCOc1cccc(C)c1 ZINC000537993122 388674704 /nfs/dbraw/zinc/67/47/04/388674704.db2.gz LGOFOLAMHBRTQK-UHFFFAOYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=C(CC)CN(Cc1ccccn1)C(C)C ZINC000537993319 388674511 /nfs/dbraw/zinc/67/45/11/388674511.db2.gz SCGBWQMACBMNDD-UHFFFAOYSA-N 0 3 218.344 3.258 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(C)cc1 ZINC000537993804 388674274 /nfs/dbraw/zinc/67/42/74/388674274.db2.gz WSBJIHNLBJOTAD-UHFFFAOYSA-N 0 3 203.329 3.393 20 30 BGEDHN C=C(CC)CN1CCOC2(C1)CCCCCC2 ZINC000538002605 388675330 /nfs/dbraw/zinc/67/53/30/388675330.db2.gz PBBOWIAARWNHGN-UHFFFAOYSA-N 0 3 237.387 3.378 20 30 BGEDHN C=C(CC)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000538002666 388675157 /nfs/dbraw/zinc/67/51/57/388675157.db2.gz QCAKAAWLLHTOEO-CHWSQXEVSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(CC)CN1CCS[C@H]2CCCC[C@H]21 ZINC000538002676 388675755 /nfs/dbraw/zinc/67/57/55/388675755.db2.gz QCAKAAWLLHTOEO-OLZOCXBDSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(CC)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000538002679 388675830 /nfs/dbraw/zinc/67/58/30/388675830.db2.gz QCAKAAWLLHTOEO-QWHCGFSZSA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(CC)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000538002680 388675821 /nfs/dbraw/zinc/67/58/21/388675821.db2.gz QCAKAAWLLHTOEO-STQMWFEESA-N 0 3 225.401 3.313 20 30 BGEDHN C=C(CC)CN1CCC(C(F)(F)F)CC1 ZINC000538002989 384281589 /nfs/dbraw/zinc/28/15/89/384281589.db2.gz USDZIKSIBNUWKQ-UHFFFAOYSA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CN1CCN(c2cccc(C)c2)CC1 ZINC000538011964 388675313 /nfs/dbraw/zinc/67/53/13/388675313.db2.gz GIUOCYISKPYCAP-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C=CCCC[C@H](C)N1CCOC2(CCCC2)C1 ZINC000538096574 388678630 /nfs/dbraw/zinc/67/86/30/388678630.db2.gz MEOQLYZAACOTBE-AWEZNQCLSA-N 0 3 237.387 3.376 20 30 BGEDHN C=CCCC[C@@H](C)N1CCOC2(CCCC2)C1 ZINC000538096575 388678209 /nfs/dbraw/zinc/67/82/09/388678209.db2.gz MEOQLYZAACOTBE-CQSZACIVSA-N 0 3 237.387 3.376 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cc(F)ccc1OC ZINC000538169730 388679500 /nfs/dbraw/zinc/67/95/00/388679500.db2.gz BOPBARCYZPVHTM-LLVKDONJSA-N 0 3 237.318 3.451 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cc(F)ccc1OC ZINC000538169731 388679165 /nfs/dbraw/zinc/67/91/65/388679165.db2.gz BOPBARCYZPVHTM-NSHDSACASA-N 0 3 237.318 3.451 20 30 BGEDHN C[C@@H]1CCN(CC2(C#N)CC2)[C@@H]2CCCC[C@@H]12 ZINC000538360727 388685286 /nfs/dbraw/zinc/68/52/86/388685286.db2.gz LQQYKAJKXXUHHL-HZSPNIEDSA-N 0 3 232.371 3.191 20 30 BGEDHN C[C@@H]1CCN(CC2(C#N)CC2)[C@H]2CCCC[C@H]12 ZINC000538360728 388684927 /nfs/dbraw/zinc/68/49/27/388684927.db2.gz LQQYKAJKXXUHHL-MCIONIFRSA-N 0 3 232.371 3.191 20 30 BGEDHN C[C@@H]1CCN(CC2(C#N)CC2)[C@@H]2CCCC[C@H]12 ZINC000538360729 388684858 /nfs/dbraw/zinc/68/48/58/388684858.db2.gz LQQYKAJKXXUHHL-MGPQQGTHSA-N 0 3 232.371 3.191 20 30 BGEDHN C[C@@H]1CCN(CC2(C#N)CC2)[C@H]2CCCC[C@@H]12 ZINC000538360730 388684914 /nfs/dbraw/zinc/68/49/14/388684914.db2.gz LQQYKAJKXXUHHL-RDBSUJKOSA-N 0 3 232.371 3.191 20 30 BGEDHN C[C@H](CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000538388755 324673827 /nfs/dbraw/zinc/67/38/27/324673827.db2.gz ZBKCYMWBVNSNPI-GFCCVEGCSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@@H](CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000538388756 384676140 /nfs/dbraw/zinc/67/61/40/384676140.db2.gz ZBKCYMWBVNSNPI-LBPRGKRZSA-N 0 3 246.354 3.457 20 30 BGEDHN CC[C@H](NCc1ccccc1C#N)C(C)(C)C ZINC000538393387 384676873 /nfs/dbraw/zinc/67/68/73/384676873.db2.gz XFSDRCHGAMJLAS-AWEZNQCLSA-N 0 3 230.355 3.473 20 30 BGEDHN CC[C@@H](NCc1ccccc1C#N)C(C)(C)C ZINC000538393388 384675243 /nfs/dbraw/zinc/67/52/43/384675243.db2.gz XFSDRCHGAMJLAS-CQSZACIVSA-N 0 3 230.355 3.473 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H]1CCCC(C)(C)C1 ZINC000538738905 388715874 /nfs/dbraw/zinc/71/58/74/388715874.db2.gz BRFXOSDXXIDYDX-CHWSQXEVSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@H]1CCCC(C)(C)C1 ZINC000538738906 388716469 /nfs/dbraw/zinc/71/64/69/388716469.db2.gz BRFXOSDXXIDYDX-OLZOCXBDSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@@H]1CCCC(C)(C)C1 ZINC000538738907 388716338 /nfs/dbraw/zinc/71/63/38/388716338.db2.gz BRFXOSDXXIDYDX-QWHCGFSZSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@H]1CCCC(C)(C)C1 ZINC000538738908 388715686 /nfs/dbraw/zinc/71/56/86/388715686.db2.gz BRFXOSDXXIDYDX-STQMWFEESA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000538811553 388728750 /nfs/dbraw/zinc/72/87/50/388728750.db2.gz VOEMPTWJMMZFBS-GFCCVEGCSA-N 0 3 234.368 3.098 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000538811554 384741875 /nfs/dbraw/zinc/74/18/75/384741875.db2.gz VOEMPTWJMMZFBS-LBPRGKRZSA-N 0 3 234.368 3.098 20 30 BGEDHN C=CCN(Cc1cc(C)ccc1C)C1CC1 ZINC000538953536 388742435 /nfs/dbraw/zinc/74/24/35/388742435.db2.gz KAIAHVOWFUHTSJ-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN C=CCN(C/C=C/c1ccccc1)C1CC1 ZINC000538954057 388741746 /nfs/dbraw/zinc/74/17/46/388741746.db2.gz NNKMSNCVZDUCLT-RMKNXTFCSA-N 0 3 213.324 3.350 20 30 BGEDHN C=CCN(C/C=C\c1ccccc1)C1CC1 ZINC000538954067 388741827 /nfs/dbraw/zinc/74/18/27/388741827.db2.gz NNKMSNCVZDUCLT-TWGQIWQCSA-N 0 3 213.324 3.350 20 30 BGEDHN C=C(CC)CN(C)Cc1ccccc1OCC ZINC000539094863 388747845 /nfs/dbraw/zinc/74/78/45/388747845.db2.gz VUVDKEDFVBFXRR-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(OCC)cc1 ZINC000539095713 384214865 /nfs/dbraw/zinc/21/48/65/384214865.db2.gz KBLANDMAZYIDCQ-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(CC)CN(C)Cc1cccc(C)c1 ZINC000539096009 388747576 /nfs/dbraw/zinc/74/75/76/388747576.db2.gz XTQBRMBPBWYLMR-UHFFFAOYSA-N 0 3 203.329 3.393 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000539117554 388749082 /nfs/dbraw/zinc/74/90/82/388749082.db2.gz WHNWHCZBWRDYCJ-BBRMVZONSA-N 0 3 245.366 3.277 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000539117555 388749185 /nfs/dbraw/zinc/74/91/85/388749185.db2.gz WHNWHCZBWRDYCJ-CJNGLKHVSA-N 0 3 245.366 3.277 20 30 BGEDHN C=C(CC)CN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000539117556 388748935 /nfs/dbraw/zinc/74/89/35/388748935.db2.gz WHNWHCZBWRDYCJ-CZUORRHYSA-N 0 3 245.366 3.277 20 30 BGEDHN C=C(CC)CN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000539117557 388749498 /nfs/dbraw/zinc/74/94/98/388749498.db2.gz WHNWHCZBWRDYCJ-XJKSGUPXSA-N 0 3 245.366 3.277 20 30 BGEDHN C=C(CC)CN1CCc2cc(OCC)ccc2C1 ZINC000539117710 388748990 /nfs/dbraw/zinc/74/89/90/388748990.db2.gz ZONKJPVLDCEZHU-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN CC(C)Oc1ccccc1[C@@H](C)NCCCC#N ZINC000539225701 388750213 /nfs/dbraw/zinc/75/02/13/388750213.db2.gz OQHIVTHLTLUFRD-CYBMUJFWSA-N 0 3 246.354 3.428 20 30 BGEDHN CC(C)Oc1ccccc1[C@H](C)NCCCC#N ZINC000539225738 324828168 /nfs/dbraw/zinc/82/81/68/324828168.db2.gz OQHIVTHLTLUFRD-ZDUSSCGKSA-N 0 3 246.354 3.428 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@H](CC)C1 ZINC000539250159 388751373 /nfs/dbraw/zinc/75/13/73/388751373.db2.gz DIKWHDKIAQDUTA-BFHYXJOUSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@@H](CC)C1 ZINC000539250160 388751357 /nfs/dbraw/zinc/75/13/57/388751357.db2.gz DIKWHDKIAQDUTA-IHRRRGAJSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000539250161 388751474 /nfs/dbraw/zinc/75/14/74/388751474.db2.gz DIKWHDKIAQDUTA-MELADBBJSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@@H](CC)C1 ZINC000539250162 388750940 /nfs/dbraw/zinc/75/09/40/388750940.db2.gz DIKWHDKIAQDUTA-MJBXVCDLSA-N 0 3 225.376 3.231 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@H]1C(C)C ZINC000539400822 388757063 /nfs/dbraw/zinc/75/70/63/388757063.db2.gz BSQMHRRLRBOYJU-HNNXBMFYSA-N 0 3 245.366 3.482 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@@H]1C(C)C ZINC000539400825 388756534 /nfs/dbraw/zinc/75/65/34/388756534.db2.gz BSQMHRRLRBOYJU-OAHLLOKOSA-N 0 3 245.366 3.482 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@H](C)CCc1ccccc1 ZINC000539408760 388758167 /nfs/dbraw/zinc/75/81/67/388758167.db2.gz LGWZODJRBCGFKK-CABCVRRESA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@@H](C)CCc1ccccc1 ZINC000539408762 388758894 /nfs/dbraw/zinc/75/88/94/388758894.db2.gz LGWZODJRBCGFKK-GJZGRUSLSA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@H](CCc1ccccc1)CN(C)C[C@H](C)C#N ZINC000539408764 388757987 /nfs/dbraw/zinc/75/79/87/388757987.db2.gz LGWZODJRBCGFKK-HUUCEWRRSA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@@H](C)CCc1ccccc1 ZINC000539408765 388758263 /nfs/dbraw/zinc/75/82/63/388758263.db2.gz LGWZODJRBCGFKK-LSDHHAIUSA-N 0 3 244.382 3.347 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CCNCc1ccc(C#N)o1 ZINC000539502396 384951657 /nfs/dbraw/zinc/95/16/57/384951657.db2.gz NDQJBEMPDCZVCV-CHWSQXEVSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CCNCc1ccc(C#N)o1 ZINC000539502401 384947777 /nfs/dbraw/zinc/94/77/77/384947777.db2.gz NDQJBEMPDCZVCV-OLZOCXBDSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CCNCc1ccc(C#N)o1 ZINC000539502403 384951513 /nfs/dbraw/zinc/95/15/13/384951513.db2.gz NDQJBEMPDCZVCV-QWHCGFSZSA-N 0 3 246.354 3.457 20 30 BGEDHN C[C@H]1CCCC[C@H]1CCNCc1ccc(C#N)o1 ZINC000539502405 324841717 /nfs/dbraw/zinc/84/17/17/324841717.db2.gz NDQJBEMPDCZVCV-STQMWFEESA-N 0 3 246.354 3.457 20 30 BGEDHN C=CCOc1ccccc1CN1CC=C(C)CC1 ZINC000539824547 388779337 /nfs/dbraw/zinc/77/93/37/388779337.db2.gz CHCNQTJLLZIDNJ-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN C=CCOc1ccc(CN2CC=C(C)CC2)cc1 ZINC000539825625 388781720 /nfs/dbraw/zinc/78/17/20/388781720.db2.gz FJBSUSPJQJQAEH-UHFFFAOYSA-N 0 3 243.350 3.403 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C#N)cs1 ZINC000539825819 385015417 /nfs/dbraw/zinc/01/54/17/385015417.db2.gz WHGOTZWQROGIMQ-CMPLNLGQSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1cc(C#N)cs1 ZINC000539825827 385016460 /nfs/dbraw/zinc/01/64/60/385016460.db2.gz WHGOTZWQROGIMQ-JQWIXIFHSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000539825830 385016308 /nfs/dbraw/zinc/01/63/08/385016308.db2.gz WHGOTZWQROGIMQ-PWSUYJOCSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000539825831 385015361 /nfs/dbraw/zinc/01/53/61/385015361.db2.gz WHGOTZWQROGIMQ-ZYHUDNBSSA-N 0 3 234.368 3.240 20 30 BGEDHN C=CC1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000539829299 324867916 /nfs/dbraw/zinc/86/79/16/324867916.db2.gz OVYFQZHXLGWQDQ-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CC1CCN(Cc2ccccc2OCC)CC1 ZINC000539830403 388782634 /nfs/dbraw/zinc/78/26/34/388782634.db2.gz SJHPPOHREDZUMJ-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CCN(Cc1cc(C)cc(C)c1)C1CC1 ZINC000540057065 388793014 /nfs/dbraw/zinc/79/30/14/388793014.db2.gz YOOORHHMZCSOKR-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000540057889 388794457 /nfs/dbraw/zinc/79/44/57/388794457.db2.gz WJPFYGXEMRAVLV-BBRMVZONSA-N 0 3 245.341 3.440 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000540057898 388795104 /nfs/dbraw/zinc/79/51/04/388795104.db2.gz WJPFYGXEMRAVLV-CJNGLKHVSA-N 0 3 245.341 3.440 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000540057901 388795447 /nfs/dbraw/zinc/79/54/47/388795447.db2.gz WJPFYGXEMRAVLV-CZUORRHYSA-N 0 3 245.341 3.440 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000540057903 388794588 /nfs/dbraw/zinc/79/45/88/388794588.db2.gz WJPFYGXEMRAVLV-XJKSGUPXSA-N 0 3 245.341 3.440 20 30 BGEDHN C=C(CC)CN1CCCc2cc(OC)ccc2C1 ZINC000540202095 388799605 /nfs/dbraw/zinc/79/96/05/388799605.db2.gz HVJNTRRUEGNXSQ-UHFFFAOYSA-N 0 3 245.366 3.410 20 30 BGEDHN C=C(CC)CN(C)CCc1ccccc1OC ZINC000540202619 388800762 /nfs/dbraw/zinc/80/07/62/388800762.db2.gz VYWAZAWXSWDECM-UHFFFAOYSA-N 0 3 233.355 3.136 20 30 BGEDHN C=C(CC)CN1CC[C@H](OCCC(C)C)C1 ZINC000540202712 388800648 /nfs/dbraw/zinc/80/06/48/388800648.db2.gz COIBYFMHQMJJSD-AWEZNQCLSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(CC)CN1CC[C@@H](OCCC(C)C)C1 ZINC000540202713 388800310 /nfs/dbraw/zinc/80/03/10/388800310.db2.gz COIBYFMHQMJJSD-CQSZACIVSA-N 0 3 225.376 3.090 20 30 BGEDHN C=C(CC)CN(C)CCN(C)c1ccccc1 ZINC000540202838 388799324 /nfs/dbraw/zinc/79/93/24/388799324.db2.gz GQBDRNISOYECAG-UHFFFAOYSA-N 0 3 232.371 3.021 20 30 BGEDHN C=C(CC)CN(CCOC)CCc1ccccc1 ZINC000540203836 388799754 /nfs/dbraw/zinc/79/97/54/388799754.db2.gz ZXHVIQQIOJXYBX-UHFFFAOYSA-N 0 3 247.382 3.144 20 30 BGEDHN C=C(CC)CN1CC[C@H]1c1ccccc1 ZINC000540203895 388799684 /nfs/dbraw/zinc/79/96/84/388799684.db2.gz ASKPNTHZHXPPBP-AWEZNQCLSA-N 0 3 201.313 3.400 20 30 BGEDHN C=C(CC)CN1CC[C@@H]1c1ccccc1 ZINC000540203896 388800175 /nfs/dbraw/zinc/80/01/75/388800175.db2.gz ASKPNTHZHXPPBP-CQSZACIVSA-N 0 3 201.313 3.400 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@@H](CCC)C1 ZINC000540331689 388804105 /nfs/dbraw/zinc/80/41/05/388804105.db2.gz YAIYKFRSLBUQOP-KBPBESRZSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@@H](CCC)C1 ZINC000540331690 388803910 /nfs/dbraw/zinc/80/39/10/388803910.db2.gz YAIYKFRSLBUQOP-KGLIPLIRSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@H](C)N1CCO[C@H](CCC)C1 ZINC000540331691 388803796 /nfs/dbraw/zinc/80/37/96/388803796.db2.gz YAIYKFRSLBUQOP-UONOGXRCSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCCC[C@@H](C)N1CCO[C@H](CCC)C1 ZINC000540331692 388803243 /nfs/dbraw/zinc/80/32/43/388803243.db2.gz YAIYKFRSLBUQOP-ZIAGYGMSSA-N 0 3 225.376 3.232 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@H]2C(C)C)cc1 ZINC000540500425 388807987 /nfs/dbraw/zinc/80/79/87/388807987.db2.gz XBLKCUXHCWRMKY-INIZCTEOSA-N 0 3 245.366 3.482 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@@H]2C(C)C)cc1 ZINC000540500427 388809075 /nfs/dbraw/zinc/80/90/75/388809075.db2.gz XBLKCUXHCWRMKY-MRXNPFEDSA-N 0 3 245.366 3.482 20 30 BGEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000540548631 324905393 /nfs/dbraw/zinc/90/53/93/324905393.db2.gz DALFCWDRSPTCFL-CHWSQXEVSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000540548633 388810032 /nfs/dbraw/zinc/81/00/32/388810032.db2.gz DALFCWDRSPTCFL-OLZOCXBDSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C)[C@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000540548634 388809627 /nfs/dbraw/zinc/80/96/27/388809627.db2.gz DALFCWDRSPTCFL-QWHCGFSZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C)[C@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000540548635 388810495 /nfs/dbraw/zinc/81/04/95/388810495.db2.gz DALFCWDRSPTCFL-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)N(CCC(C)(C)C#N)Cc1ccccn1 ZINC000540663770 388812874 /nfs/dbraw/zinc/81/28/74/388812874.db2.gz BWXIVSMJURJQGE-UHFFFAOYSA-N 0 3 245.370 3.232 20 30 BGEDHN CC(C)(C#N)CCNC1(c2ccc(F)cc2)CC1 ZINC000540666506 324912142 /nfs/dbraw/zinc/91/21/42/324912142.db2.gz LMCRVIXUHOWVJH-UHFFFAOYSA-N 0 3 246.329 3.344 20 30 BGEDHN CCN(CCc1ccccc1)CCC(C)(C)C#N ZINC000540667052 388813023 /nfs/dbraw/zinc/81/30/23/388813023.db2.gz RVLLXONVABFBJI-UHFFFAOYSA-N 0 3 244.382 3.491 20 30 BGEDHN N#CCC1CCN(CCCCC(F)(F)F)CC1 ZINC000541022755 388836658 /nfs/dbraw/zinc/83/66/58/388836658.db2.gz FNMIPZSLCUTRLR-UHFFFAOYSA-N 0 3 248.292 3.345 20 30 BGEDHN C=CCN(CC=C)CCc1cccc(F)c1F ZINC000541281849 324953728 /nfs/dbraw/zinc/95/37/28/324953728.db2.gz GCPROADSDQZHFE-UHFFFAOYSA-N 0 3 237.293 3.181 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN(C)C[C@@H](C)C#N)C1 ZINC000541534771 388854254 /nfs/dbraw/zinc/85/42/54/388854254.db2.gz YQMDAFNEBVNGKG-BFHYXJOUSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN(C)C[C@H](C)C#N)C1 ZINC000541534836 388854164 /nfs/dbraw/zinc/85/41/64/388854164.db2.gz YQMDAFNEBVNGKG-MCIONIFRSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN(C)C[C@H](C)C#N)C1 ZINC000541534837 388855527 /nfs/dbraw/zinc/85/55/27/388855527.db2.gz YQMDAFNEBVNGKG-MGPQQGTHSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN(C)C[C@@H](C)C#N)C1 ZINC000541534838 388855063 /nfs/dbraw/zinc/85/50/63/388855063.db2.gz YQMDAFNEBVNGKG-MJBXVCDLSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000541535243 388854647 /nfs/dbraw/zinc/85/46/47/388854647.db2.gz VBCIDUSCQXQDIZ-KBPBESRZSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000541535244 388855120 /nfs/dbraw/zinc/85/51/20/388855120.db2.gz VBCIDUSCQXQDIZ-KGLIPLIRSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000541535245 388855229 /nfs/dbraw/zinc/85/52/29/388855229.db2.gz VBCIDUSCQXQDIZ-UONOGXRCSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)N(CCC#N)C[C@H]1CCCC[C@H]1C ZINC000541535246 388854215 /nfs/dbraw/zinc/85/42/15/388854215.db2.gz VBCIDUSCQXQDIZ-ZIAGYGMSSA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)(C)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000541551877 385362358 /nfs/dbraw/zinc/36/23/58/385362358.db2.gz WEFCAESPHRPGKJ-GFCCVEGCSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)(C)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000541551894 385365390 /nfs/dbraw/zinc/36/53/90/385365390.db2.gz WEFCAESPHRPGKJ-LBPRGKRZSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000541553286 385368195 /nfs/dbraw/zinc/36/81/95/385368195.db2.gz GHYPFLTZNBGAMH-LLVKDONJSA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000541553288 385367118 /nfs/dbraw/zinc/36/71/18/385367118.db2.gz GHYPFLTZNBGAMH-NSHDSACASA-N 0 3 248.395 3.488 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H](C)Cc1ccccc1 ZINC000541589240 388857916 /nfs/dbraw/zinc/85/79/16/388857916.db2.gz CHVNHUYWVNFKOJ-HNNXBMFYSA-N 0 3 244.382 3.489 20 30 BGEDHN CC(C)N(CCC#N)C[C@H](C)Cc1ccccc1 ZINC000541589241 388858617 /nfs/dbraw/zinc/85/86/17/388858617.db2.gz CHVNHUYWVNFKOJ-OAHLLOKOSA-N 0 3 244.382 3.489 20 30 BGEDHN Clc1cccc(C#CCNC2(C3CC3)CC2)c1 ZINC000541597118 324968137 /nfs/dbraw/zinc/96/81/37/324968137.db2.gz SYHPNCWYFJUXNY-UHFFFAOYSA-N 0 3 245.753 3.224 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H](C)C1CCCCC1 ZINC000541601619 324968268 /nfs/dbraw/zinc/96/82/68/324968268.db2.gz JTBCFODWOZHJJZ-CHWSQXEVSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H](C)C1CCCCC1 ZINC000541601620 324968458 /nfs/dbraw/zinc/96/84/58/324968458.db2.gz JTBCFODWOZHJJZ-OLZOCXBDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@H](C)C1CCCCC1 ZINC000541601621 388860550 /nfs/dbraw/zinc/86/05/50/388860550.db2.gz JTBCFODWOZHJJZ-QWHCGFSZSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]([C@H](C)NCC1(C#N)CC1)C1CCCCC1 ZINC000541601622 388860383 /nfs/dbraw/zinc/86/03/83/388860383.db2.gz JTBCFODWOZHJJZ-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN C=CCN(Cc1ccc(C)cc1C)C1CC1 ZINC000541760049 388867141 /nfs/dbraw/zinc/86/71/41/388867141.db2.gz FDPZNYJFSHAHJO-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN C=CCN(CC=C)CCCc1ccsc1 ZINC000542091066 325007817 /nfs/dbraw/zinc/00/78/17/325007817.db2.gz WUSMCQGQPCVONC-UHFFFAOYSA-N 0 3 221.369 3.355 20 30 BGEDHN C[C@H](C#N)CN(C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000542466324 325028878 /nfs/dbraw/zinc/02/88/78/325028878.db2.gz ANMKEYKXDHSLFY-HZSPNIEDSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000542466325 325029352 /nfs/dbraw/zinc/02/93/52/325029352.db2.gz ANMKEYKXDHSLFY-MCIONIFRSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@H]1CCCC[C@H]1C)C1CC1 ZINC000542466326 325029082 /nfs/dbraw/zinc/02/90/82/325029082.db2.gz ANMKEYKXDHSLFY-MGPQQGTHSA-N 0 3 234.387 3.437 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000542466327 325028727 /nfs/dbraw/zinc/02/87/27/325028727.db2.gz ANMKEYKXDHSLFY-RDBSUJKOSA-N 0 3 234.387 3.437 20 30 BGEDHN C=CCN(Cc1cccc(C)c1C)C1CC1 ZINC000542690286 325042226 /nfs/dbraw/zinc/04/22/26/325042226.db2.gz CVGWOWBOZQUHOC-UHFFFAOYSA-N 0 3 215.340 3.454 20 30 BGEDHN C=CCN(Cc1cc(C)c(OC)c(C)c1)C1CC1 ZINC000542691374 325042451 /nfs/dbraw/zinc/04/24/51/325042451.db2.gz NNRNOSYQJLPNJU-UHFFFAOYSA-N 0 3 245.366 3.462 20 30 BGEDHN C[C@@H](C#N)CNC[C@@H](C)CCc1ccccc1 ZINC000542692991 325042026 /nfs/dbraw/zinc/04/20/26/325042026.db2.gz SREMKSHIBFYIOX-KBPBESRZSA-N 0 3 230.355 3.005 20 30 BGEDHN C[C@@H](C#N)CNC[C@H](C)CCc1ccccc1 ZINC000542692992 325042160 /nfs/dbraw/zinc/04/21/60/325042160.db2.gz SREMKSHIBFYIOX-KGLIPLIRSA-N 0 3 230.355 3.005 20 30 BGEDHN C[C@H](C#N)CNC[C@@H](C)CCc1ccccc1 ZINC000542692993 325041621 /nfs/dbraw/zinc/04/16/21/325041621.db2.gz SREMKSHIBFYIOX-UONOGXRCSA-N 0 3 230.355 3.005 20 30 BGEDHN C[C@H](CCc1ccccc1)CNC[C@H](C)C#N ZINC000542692994 325041474 /nfs/dbraw/zinc/04/14/74/325041474.db2.gz SREMKSHIBFYIOX-ZIAGYGMSSA-N 0 3 230.355 3.005 20 30 BGEDHN C=CCN(CC=C)[C@H](C)Cc1ccsc1 ZINC000543058795 325068874 /nfs/dbraw/zinc/06/88/74/325068874.db2.gz PRSZLEPZWMVTRI-GFCCVEGCSA-N 0 3 221.369 3.353 20 30 BGEDHN C=CCN(CC=C)[C@@H](C)Cc1ccsc1 ZINC000543058807 325068609 /nfs/dbraw/zinc/06/86/09/325068609.db2.gz PRSZLEPZWMVTRI-LBPRGKRZSA-N 0 3 221.369 3.353 20 30 BGEDHN C[C@H](Cc1ccsc1)N1CCC(C)(C#N)CC1 ZINC000543115123 325072500 /nfs/dbraw/zinc/07/25/00/325072500.db2.gz IANZXVGLCDYZFY-GFCCVEGCSA-N 0 3 248.395 3.305 20 30 BGEDHN C[C@@H](Cc1ccsc1)N1CCC(C)(C#N)CC1 ZINC000543115131 325072567 /nfs/dbraw/zinc/07/25/67/325072567.db2.gz IANZXVGLCDYZFY-LBPRGKRZSA-N 0 3 248.395 3.305 20 30 BGEDHN CC(C)n1cc([C@@H](C)NCCC(C)(C)C#N)cn1 ZINC000543504164 325091392 /nfs/dbraw/zinc/09/13/92/325091392.db2.gz GZTSOVYEBLYUOQ-GFCCVEGCSA-N 0 3 248.374 3.054 20 30 BGEDHN CC(C)n1cc([C@H](C)NCCC(C)(C)C#N)cn1 ZINC000543504175 325091484 /nfs/dbraw/zinc/09/14/84/325091484.db2.gz GZTSOVYEBLYUOQ-LBPRGKRZSA-N 0 3 248.374 3.054 20 30 BGEDHN C=CCN(Cc1ccnc2ccccc12)C1CC1 ZINC000543620810 325098914 /nfs/dbraw/zinc/09/89/14/325098914.db2.gz OBVPVMADCSJSSX-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CCN(Cc1ccc(CC)s1)C1CC1 ZINC000543621424 325098957 /nfs/dbraw/zinc/09/89/57/325098957.db2.gz PCWSCHUGHAWKPG-UHFFFAOYSA-N 0 3 221.369 3.461 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](CC)c1ccn(C)n1 ZINC000543636510 325099249 /nfs/dbraw/zinc/09/92/49/325099249.db2.gz QVCHCUJQUWKJQH-CHWSQXEVSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000543636511 325099286 /nfs/dbraw/zinc/09/92/86/325099286.db2.gz QVCHCUJQUWKJQH-OLZOCXBDSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](CC)c1ccn(C)n1 ZINC000543636513 325099337 /nfs/dbraw/zinc/09/93/37/325099337.db2.gz QVCHCUJQUWKJQH-QWHCGFSZSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000543636514 325099555 /nfs/dbraw/zinc/09/95/55/325099555.db2.gz QVCHCUJQUWKJQH-STQMWFEESA-N 0 3 235.375 3.206 20 30 BGEDHN C[C@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000543755050 325110629 /nfs/dbraw/zinc/11/06/29/325110629.db2.gz QPMVOMSPMVMADN-JTQLQIEISA-N 0 3 244.313 3.291 20 30 BGEDHN C[C@@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000543755051 325110402 /nfs/dbraw/zinc/11/04/02/325110402.db2.gz QPMVOMSPMVMADN-SNVBAGLBSA-N 0 3 244.313 3.291 20 30 BGEDHN C=C1CCN([C@H](C)Cc2ccsc2)CC1 ZINC000544012814 325127181 /nfs/dbraw/zinc/12/71/81/325127181.db2.gz QEEQYRAUBMZLEX-GFCCVEGCSA-N 0 3 221.369 3.331 20 30 BGEDHN C=C1CCN([C@@H](C)Cc2ccsc2)CC1 ZINC000544012815 325126860 /nfs/dbraw/zinc/12/68/60/325126860.db2.gz QEEQYRAUBMZLEX-LBPRGKRZSA-N 0 3 221.369 3.331 20 30 BGEDHN C=C(C)CN(CC)CCc1cccc(F)c1F ZINC000544069578 325129953 /nfs/dbraw/zinc/12/99/53/325129953.db2.gz FRBXOBLIVAYMJE-UHFFFAOYSA-N 0 3 239.309 3.405 20 30 BGEDHN CC#CCN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000544113917 325131799 /nfs/dbraw/zinc/13/17/99/325131799.db2.gz CWZLRPCTRBKSII-BBRMVZONSA-N 0 3 243.350 3.101 20 30 BGEDHN CC#CCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000544113924 325132062 /nfs/dbraw/zinc/13/20/62/325132062.db2.gz CWZLRPCTRBKSII-CJNGLKHVSA-N 0 3 243.350 3.101 20 30 BGEDHN CC#CCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000544113925 325132217 /nfs/dbraw/zinc/13/22/17/325132217.db2.gz CWZLRPCTRBKSII-CZUORRHYSA-N 0 3 243.350 3.101 20 30 BGEDHN CC#CCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000544113926 325131180 /nfs/dbraw/zinc/13/11/80/325131180.db2.gz CWZLRPCTRBKSII-XJKSGUPXSA-N 0 3 243.350 3.101 20 30 BGEDHN C[C@H]1CN(Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC000544118339 325131872 /nfs/dbraw/zinc/13/18/72/325131872.db2.gz VKDDMTMEHLYYDD-CYBMUJFWSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC000544118340 325131750 /nfs/dbraw/zinc/13/17/50/325131750.db2.gz VKDDMTMEHLYYDD-ZDUSSCGKSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC000544369437 325140043 /nfs/dbraw/zinc/14/00/43/325140043.db2.gz UIZIWVFCQNEOHT-LLVKDONJSA-N 0 3 248.395 3.488 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC000544369438 325139820 /nfs/dbraw/zinc/13/98/20/325139820.db2.gz UIZIWVFCQNEOHT-NSHDSACASA-N 0 3 248.395 3.488 20 30 BGEDHN N#CCCCN[C@@H](CC1CC1)c1ccccc1 ZINC000544386069 325139987 /nfs/dbraw/zinc/13/99/87/325139987.db2.gz QGSLTCJBVCGSQN-HNNXBMFYSA-N 0 3 228.339 3.421 20 30 BGEDHN N#CCCCN[C@H](CC1CC1)c1ccccc1 ZINC000544386089 325139754 /nfs/dbraw/zinc/13/97/54/325139754.db2.gz QGSLTCJBVCGSQN-OAHLLOKOSA-N 0 3 228.339 3.421 20 30 BGEDHN CC#CCN1CCC(c2ccccc2C)CC1 ZINC000544489965 325145057 /nfs/dbraw/zinc/14/50/57/325145057.db2.gz YEGBILFGQMZUAU-UHFFFAOYSA-N 0 3 227.351 3.198 20 30 BGEDHN C=CCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000544547880 325147765 /nfs/dbraw/zinc/14/77/65/325147765.db2.gz YXWJMWCEUDGZEO-HNNXBMFYSA-N 0 3 237.387 3.234 20 30 BGEDHN C=CCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000544547890 325147548 /nfs/dbraw/zinc/14/75/48/325147548.db2.gz YXWJMWCEUDGZEO-OAHLLOKOSA-N 0 3 237.387 3.234 20 30 BGEDHN C=CCN(C/C=C/c1ccccc1OC)C1CC1 ZINC000544598269 325150803 /nfs/dbraw/zinc/15/08/03/325150803.db2.gz GIGPSCPRDBWTOL-SOFGYWHQSA-N 0 3 243.350 3.359 20 30 BGEDHN C=CCN(C/C=C\c1ccccc1OC)C1CC1 ZINC000544598270 325150992 /nfs/dbraw/zinc/15/09/92/325150992.db2.gz GIGPSCPRDBWTOL-VURMDHGXSA-N 0 3 243.350 3.359 20 30 BGEDHN C=CCN(C/C=C\c1ccc(F)cc1)C1CC1 ZINC000544598570 325150641 /nfs/dbraw/zinc/15/06/41/325150641.db2.gz CKAVBDHVIZFCQY-ARJAWSKDSA-N 0 3 231.314 3.489 20 30 BGEDHN C=CCN(C/C=C/c1ccc(F)cc1)C1CC1 ZINC000544598573 325150970 /nfs/dbraw/zinc/15/09/70/325150970.db2.gz CKAVBDHVIZFCQY-ONEGZZNKSA-N 0 3 231.314 3.489 20 30 BGEDHN C=CCN([C@H](C)Cc1ccsc1)C1CC1 ZINC000544600431 325151668 /nfs/dbraw/zinc/15/16/68/325151668.db2.gz UNMYRCGQACPYEZ-LLVKDONJSA-N 0 3 221.369 3.330 20 30 BGEDHN C=CCN([C@@H](C)Cc1ccsc1)C1CC1 ZINC000544600432 325151832 /nfs/dbraw/zinc/15/18/32/325151832.db2.gz UNMYRCGQACPYEZ-NSHDSACASA-N 0 3 221.369 3.330 20 30 BGEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000544783035 325161269 /nfs/dbraw/zinc/16/12/69/325161269.db2.gz ZIMOFWUCOHVCNI-CYBMUJFWSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000544783040 325161341 /nfs/dbraw/zinc/16/13/41/325161341.db2.gz ZIMOFWUCOHVCNI-ZDUSSCGKSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000544942243 325168205 /nfs/dbraw/zinc/16/82/05/325168205.db2.gz HIZBJJWOHYJIAJ-LLVKDONJSA-N 0 3 248.395 3.488 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000544942244 325168366 /nfs/dbraw/zinc/16/83/66/325168366.db2.gz HIZBJJWOHYJIAJ-NSHDSACASA-N 0 3 248.395 3.488 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@@H]2NC[C@@H](C)C#N)cc1 ZINC000545240775 325199813 /nfs/dbraw/zinc/19/98/13/325199813.db2.gz HEICVIFRUNKOOS-BPUTZDHNSA-N 0 3 242.366 3.380 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@H]2NC[C@@H](C)C#N)cc1 ZINC000545240776 325199822 /nfs/dbraw/zinc/19/98/22/325199822.db2.gz HEICVIFRUNKOOS-CWRNSKLLSA-N 0 3 242.366 3.380 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@@H]2NC[C@H](C)C#N)cc1 ZINC000545240777 325199794 /nfs/dbraw/zinc/19/97/94/325199794.db2.gz HEICVIFRUNKOOS-KBMXLJTQSA-N 0 3 242.366 3.380 20 30 BGEDHN Cc1ccc([C@@H]2CCC[C@H]2NC[C@H](C)C#N)cc1 ZINC000545240778 325199831 /nfs/dbraw/zinc/19/98/31/325199831.db2.gz HEICVIFRUNKOOS-VNQPRFMTSA-N 0 3 242.366 3.380 20 30 BGEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125345 325267600 /nfs/dbraw/zinc/26/76/00/325267600.db2.gz CNTAZJJWWDFYCW-CYBMUJFWSA-N 0 3 242.366 3.426 20 30 BGEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125346 325267739 /nfs/dbraw/zinc/26/77/39/325267739.db2.gz CNTAZJJWWDFYCW-ZDUSSCGKSA-N 0 3 242.366 3.426 20 30 BGEDHN CCN(CC#Cc1ccc(F)cc1)CCC1CC1 ZINC000546226789 325272047 /nfs/dbraw/zinc/27/20/47/325272047.db2.gz HTWGRNNDWGRTCO-UHFFFAOYSA-N 0 3 245.341 3.299 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000546655389 325298809 /nfs/dbraw/zinc/29/88/09/325298809.db2.gz TZTKFHGQNADBFO-BPLDGKMQSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000546655390 325298969 /nfs/dbraw/zinc/29/89/69/325298969.db2.gz TZTKFHGQNADBFO-SNPRPXQTSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000546655391 325298837 /nfs/dbraw/zinc/29/88/37/325298837.db2.gz TZTKFHGQNADBFO-VHDGCEQUSA-N 0 3 228.339 3.072 20 30 BGEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000546655392 325298740 /nfs/dbraw/zinc/29/87/40/325298740.db2.gz TZTKFHGQNADBFO-YUELXQCFSA-N 0 3 228.339 3.072 20 30 BGEDHN CC#CCCN1CCC(c2ccccc2F)CC1 ZINC000547317006 325339553 /nfs/dbraw/zinc/33/95/53/325339553.db2.gz ZEZDKCAZMURPSR-UHFFFAOYSA-N 0 3 245.341 3.419 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1cc(C)ccc1C ZINC000547506296 325366002 /nfs/dbraw/zinc/36/60/02/325366002.db2.gz ZYXBERKUGMJOQN-AWEZNQCLSA-N 0 3 215.340 3.320 20 30 BGEDHN CC#CCN(C)[C@H](C)c1cc(C)ccc1C ZINC000547506297 325366152 /nfs/dbraw/zinc/36/61/52/325366152.db2.gz ZYXBERKUGMJOQN-CQSZACIVSA-N 0 3 215.340 3.320 20 30 BGEDHN C[C@@H]1C[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000547768674 325394432 /nfs/dbraw/zinc/39/44/32/325394432.db2.gz CUQBMHJODKYOCR-BETUJISGSA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@@H]1C[C@@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000547768675 325394208 /nfs/dbraw/zinc/39/42/08/325394208.db2.gz CUQBMHJODKYOCR-CHWSQXEVSA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@H]1C[C@H](C)N1Cc1ccccc1C(C)(C)C#N ZINC000547768676 325394237 /nfs/dbraw/zinc/39/42/37/325394237.db2.gz CUQBMHJODKYOCR-STQMWFEESA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1[C@H](C)C[C@@H]1C ZINC000547769582 325395137 /nfs/dbraw/zinc/39/51/37/325395137.db2.gz XJMBMBWIQWWUET-GRYCIOLGSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1[C@H](C)C[C@H]1C ZINC000547769583 325394997 /nfs/dbraw/zinc/39/49/97/325394997.db2.gz XJMBMBWIQWWUET-IJLUTSLNSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1[C@H](C)C[C@@H]1C ZINC000547769584 325394796 /nfs/dbraw/zinc/39/47/96/325394796.db2.gz XJMBMBWIQWWUET-TUAOUCFPSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1[C@H](C)C[C@H]1C ZINC000547769585 325395046 /nfs/dbraw/zinc/39/50/46/325395046.db2.gz XJMBMBWIQWWUET-UTUOFQBUSA-N 0 3 214.312 3.102 20 30 BGEDHN C=CCN(C)Cc1c(C)cc(C)cc1C ZINC000547970904 388499444 /nfs/dbraw/zinc/49/94/44/388499444.db2.gz UNBJWMCEHARICP-UHFFFAOYSA-N 0 3 203.329 3.230 20 30 BGEDHN CC1(C)CC(CNCc2ccc(C#N)cc2F)C1 ZINC000548045232 325423535 /nfs/dbraw/zinc/42/35/35/325423535.db2.gz NDBGLFPWMMKYSR-UHFFFAOYSA-N 0 3 246.329 3.223 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000548157161 491088493 /nfs/dbraw/zinc/08/84/93/491088493.db2.gz MOCAFSBASUTKFC-AWEZNQCLSA-N 0 3 215.340 3.320 20 30 BGEDHN CC#CCN(C)[C@H](C)c1ccc(C)cc1C ZINC000548157162 491088490 /nfs/dbraw/zinc/08/84/90/491088490.db2.gz MOCAFSBASUTKFC-CQSZACIVSA-N 0 3 215.340 3.320 20 30 BGEDHN CC#CCN(CC)Cc1ccc(Cl)cc1 ZINC000548159432 388518759 /nfs/dbraw/zinc/51/87/59/388518759.db2.gz QLHCZLJDHWWAMQ-UHFFFAOYSA-N 0 3 221.731 3.185 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1[C@H](C)C[C@@H]1C ZINC000548424912 388358803 /nfs/dbraw/zinc/35/88/03/388358803.db2.gz GQOZNJUXBNBFAK-GRYCIOLGSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1[C@H](C)C[C@H]1C ZINC000548424919 388359359 /nfs/dbraw/zinc/35/93/59/388359359.db2.gz GQOZNJUXBNBFAK-IJLUTSLNSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1[C@H](C)C[C@@H]1C ZINC000548424921 388358774 /nfs/dbraw/zinc/35/87/74/388358774.db2.gz GQOZNJUXBNBFAK-TUAOUCFPSA-N 0 3 214.312 3.102 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1[C@H](C)C[C@H]1C ZINC000548424922 325456133 /nfs/dbraw/zinc/45/61/33/325456133.db2.gz GQOZNJUXBNBFAK-UTUOFQBUSA-N 0 3 214.312 3.102 20 30 BGEDHN N#Cc1cc(Cl)ccc1CNC1(C2CC2)CC1 ZINC000548486626 325463124 /nfs/dbraw/zinc/46/31/24/325463124.db2.gz CCXWVHBSQFGPMF-UHFFFAOYSA-N 0 3 246.741 3.244 20 30 BGEDHN CC#CCN(Cc1ccc(OCC)cc1)C(C)C ZINC000548486856 388543555 /nfs/dbraw/zinc/54/35/55/388543555.db2.gz VMYOIKFRGKEGAA-UHFFFAOYSA-N 0 3 245.366 3.319 20 30 BGEDHN C=CCN(Cc1ccc(F)cc1C)C1CC1 ZINC000548488696 388543430 /nfs/dbraw/zinc/54/34/30/388543430.db2.gz DBAHIIVZGKTNHO-UHFFFAOYSA-N 0 3 219.303 3.285 20 30 BGEDHN C=C(CC)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928097 388569254 /nfs/dbraw/zinc/56/92/54/388569254.db2.gz ORIKKDMKXYMRLO-UHFFFAOYSA-N 0 3 248.326 3.035 20 30 BGEDHN C=CCN(C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136049 388573594 /nfs/dbraw/zinc/57/35/94/388573594.db2.gz KFJIAXAIKVVEKF-AWEZNQCLSA-N 0 3 235.371 3.129 20 30 BGEDHN C=CCN(C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136057 388573571 /nfs/dbraw/zinc/57/35/71/388573571.db2.gz KFJIAXAIKVVEKF-CQSZACIVSA-N 0 3 235.371 3.129 20 30 BGEDHN C=CCOCCN(CC)Cc1ccc(C)cc1 ZINC000549796591 388591525 /nfs/dbraw/zinc/59/15/25/388591525.db2.gz CZNFKYCDGJBVDD-UHFFFAOYSA-N 0 3 233.355 3.020 20 30 BGEDHN C=CCOCCN(CC(=C)C)Cc1ccccc1 ZINC000550000188 388596266 /nfs/dbraw/zinc/59/62/66/388596266.db2.gz PBQIYGNYHXWXDI-UHFFFAOYSA-N 0 3 245.366 3.267 20 30 BGEDHN C(#Cc1ccccc1)CN1CC[C@@H](CC2CC2)C1 ZINC000550049601 388597533 /nfs/dbraw/zinc/59/75/33/388597533.db2.gz SUWRVEYSDJULRW-KRWDZBQOSA-N 0 3 239.362 3.160 20 30 BGEDHN C(#Cc1ccccc1)CN1CC[C@H](CC2CC2)C1 ZINC000550049602 388597750 /nfs/dbraw/zinc/59/77/50/388597750.db2.gz SUWRVEYSDJULRW-QGZVFWFLSA-N 0 3 239.362 3.160 20 30 BGEDHN CC#CCN(C)[C@H]1CCc2ccc(Cl)cc21 ZINC000550491907 388609598 /nfs/dbraw/zinc/60/95/98/388609598.db2.gz UWMJMZNAGAUTCQ-AWEZNQCLSA-N 0 3 233.742 3.282 20 30 BGEDHN CC#CCN(C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000550491908 388609215 /nfs/dbraw/zinc/60/92/15/388609215.db2.gz UWMJMZNAGAUTCQ-CQSZACIVSA-N 0 3 233.742 3.282 20 30 BGEDHN CC#CCN(C)[C@@H](CC)c1ccccc1 ZINC000550491909 388609323 /nfs/dbraw/zinc/60/93/23/388609323.db2.gz UXJWNRPTBULBAC-AWEZNQCLSA-N 0 3 201.313 3.093 20 30 BGEDHN CC#CCN(C)[C@H](CC)c1ccccc1 ZINC000550491910 388609926 /nfs/dbraw/zinc/60/99/26/388609926.db2.gz UXJWNRPTBULBAC-CQSZACIVSA-N 0 3 201.313 3.093 20 30 BGEDHN CC#CCN(C)CCSC1CCCCC1 ZINC000550502801 388609685 /nfs/dbraw/zinc/60/96/85/388609685.db2.gz SGNAZJXJQWPFDT-UHFFFAOYSA-N 0 3 225.401 3.007 20 30 BGEDHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000550926061 384869934 /nfs/dbraw/zinc/86/99/34/384869934.db2.gz XSVSKGWEJJBDAU-KFWWJZLASA-N 0 3 246.329 3.490 20 30 BGEDHN CCN(CC(C(C)C)C(C)C)C[C@H](C)C#N ZINC000551559930 388633791 /nfs/dbraw/zinc/63/37/91/388633791.db2.gz VAXNLGJIBTUSMZ-CYBMUJFWSA-N 0 3 224.392 3.396 20 30 BGEDHN CCN(CC(C(C)C)C(C)C)C[C@@H](C)C#N ZINC000551559933 388633390 /nfs/dbraw/zinc/63/33/90/388633390.db2.gz VAXNLGJIBTUSMZ-ZDUSSCGKSA-N 0 3 224.392 3.396 20 30 BGEDHN CC(C)C(CN(C)C[C@H](C)C#N)C(C)C ZINC000551806303 388641592 /nfs/dbraw/zinc/64/15/92/388641592.db2.gz LNVJGTITCMYNGC-GFCCVEGCSA-N 0 3 210.365 3.006 20 30 BGEDHN CC(C)C(CN(C)C[C@@H](C)C#N)C(C)C ZINC000551806304 388641010 /nfs/dbraw/zinc/64/10/10/388641010.db2.gz LNVJGTITCMYNGC-LBPRGKRZSA-N 0 3 210.365 3.006 20 30 BGEDHN CCN(CCC#N)CC(C(C)C)C(C)C ZINC000551807510 388642499 /nfs/dbraw/zinc/64/24/99/388642499.db2.gz JNGGDTBMSNKDRD-UHFFFAOYSA-N 0 3 210.365 3.150 20 30 BGEDHN CC[C@H]1CC[C@H](NCc2nc(C#N)cs2)CC1 ZINC000552071815 325593880 /nfs/dbraw/zinc/59/38/80/325593880.db2.gz DTHLGKGSYFWKRT-XYPYZODXSA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN(C)CC(C)(C)C#N)C1 ZINC000552085027 388668292 /nfs/dbraw/zinc/66/82/92/388668292.db2.gz LSPXBJMZSQNFKT-CHWSQXEVSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H]1CCC[C@H](CN(C)CC(C)(C)C#N)C1 ZINC000552085028 388668922 /nfs/dbraw/zinc/66/89/22/388668922.db2.gz LSPXBJMZSQNFKT-OLZOCXBDSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H]1CCC[C@@H](CN(C)CC(C)(C)C#N)C1 ZINC000552085029 388668606 /nfs/dbraw/zinc/66/86/06/388668606.db2.gz LSPXBJMZSQNFKT-QWHCGFSZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H]1CCC[C@H](CN(C)CC(C)(C)C#N)C1 ZINC000552085030 388668624 /nfs/dbraw/zinc/66/86/24/388668624.db2.gz LSPXBJMZSQNFKT-STQMWFEESA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@H]1CC[C@H](NCc2ccc(C#N)o2)CC1 ZINC000552293099 411433786 /nfs/dbraw/zinc/43/37/86/411433786.db2.gz PGKIBEXBYVIOPD-HAQNSBGRSA-N 0 3 232.327 3.210 20 30 BGEDHN CC(C)[C@@H]1N(Cc2cccc(C#N)c2)CC1(C)C ZINC000552293132 398267245 /nfs/dbraw/zinc/26/72/45/398267245.db2.gz RJHJICFWTKPHHZ-HNNXBMFYSA-N 0 3 242.366 3.425 20 30 BGEDHN CC(C)[C@H]1N(Cc2cccc(C#N)c2)CC1(C)C ZINC000552293133 398267217 /nfs/dbraw/zinc/26/72/17/398267217.db2.gz RJHJICFWTKPHHZ-OAHLLOKOSA-N 0 3 242.366 3.425 20 30 BGEDHN C=C(CC)CN(CC)Cc1ccc(OC)cc1 ZINC000552604563 388731852 /nfs/dbraw/zinc/73/18/52/388731852.db2.gz NMZLIRMZKHCPPS-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1cccc(C)n1 ZINC000552950114 388741305 /nfs/dbraw/zinc/74/13/05/388741305.db2.gz DDRTZQXIPVGDTF-HNNXBMFYSA-N 0 3 230.355 3.493 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000552950115 388741115 /nfs/dbraw/zinc/74/11/15/388741115.db2.gz DDRTZQXIPVGDTF-OAHLLOKOSA-N 0 3 230.355 3.493 20 30 BGEDHN C=C(CC)CN1CCC[C@H](C(F)(F)F)C1 ZINC000552971542 388742730 /nfs/dbraw/zinc/74/27/30/388742730.db2.gz CGADGPHTHOMZJC-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000552971543 388742521 /nfs/dbraw/zinc/74/25/21/388742521.db2.gz CGADGPHTHOMZJC-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CN(C)Cc1ccccc1C ZINC000552971974 388742161 /nfs/dbraw/zinc/74/21/61/388742161.db2.gz ZVDPBPLMJRPWNO-UHFFFAOYSA-N 0 3 203.329 3.393 20 30 BGEDHN CC#CCCN(C)[C@@H](CC)c1ccccc1OC ZINC000554310784 388809246 /nfs/dbraw/zinc/80/92/46/388809246.db2.gz IVKMJBMFFVHOII-HNNXBMFYSA-N 0 3 245.366 3.492 20 30 BGEDHN CC#CCCN(C)[C@H](CC)c1ccccc1OC ZINC000554310786 388808675 /nfs/dbraw/zinc/80/86/75/388808675.db2.gz IVKMJBMFFVHOII-OAHLLOKOSA-N 0 3 245.366 3.492 20 30 BGEDHN CC1(C)CCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000554366679 388625885 /nfs/dbraw/zinc/62/58/85/388625885.db2.gz QCQBDAVICCLLJV-AWEZNQCLSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000554366681 325716297 /nfs/dbraw/zinc/71/62/97/325716297.db2.gz QCQBDAVICCLLJV-CQSZACIVSA-N 0 3 243.354 3.012 20 30 BGEDHN C=CCCCN(C)Cc1ccc(Cl)cn1 ZINC000554497852 388817306 /nfs/dbraw/zinc/81/73/06/388817306.db2.gz KDGKCOJBFHMAHR-UHFFFAOYSA-N 0 3 224.735 3.133 20 30 BGEDHN C=CCOCCN(C)[C@@H](C)c1cc(C)ccc1C ZINC000555333619 388846527 /nfs/dbraw/zinc/84/65/27/388846527.db2.gz DMHFUEFOLUIXSG-HNNXBMFYSA-N 0 3 247.382 3.499 20 30 BGEDHN C=CCOCCN(C)[C@H](C)c1cc(C)ccc1C ZINC000555333623 388845811 /nfs/dbraw/zinc/84/58/11/388845811.db2.gz DMHFUEFOLUIXSG-OAHLLOKOSA-N 0 3 247.382 3.499 20 30 BGEDHN C=CCN(CCOC)[C@H]1C=CCCCCC1 ZINC000555461105 388850105 /nfs/dbraw/zinc/85/01/05/388850105.db2.gz NSPMCWBZJBGSPO-AWEZNQCLSA-N 0 3 223.360 3.010 20 30 BGEDHN C=CCN(CCOC)[C@@H]1C=CCCCCC1 ZINC000555461106 388850725 /nfs/dbraw/zinc/85/07/25/388850725.db2.gz NSPMCWBZJBGSPO-CQSZACIVSA-N 0 3 223.360 3.010 20 30 BGEDHN CC#CCN(C)CCCSCc1ccccc1 ZINC000555759064 388859780 /nfs/dbraw/zinc/85/97/80/388859780.db2.gz FEVHFEBZXKIRDE-UHFFFAOYSA-N 0 3 247.407 3.265 20 30 BGEDHN CC#CCN(C)CCc1ccc2ccccc2c1 ZINC000555759483 388860436 /nfs/dbraw/zinc/86/04/36/388860436.db2.gz KWSHOXVRNKEKFK-UHFFFAOYSA-N 0 3 237.346 3.337 20 30 BGEDHN C=CCC1(NCc2nccn2CC)CCCCC1 ZINC000556161742 388869811 /nfs/dbraw/zinc/86/98/11/388869811.db2.gz HYTCFRZULBQRIV-UHFFFAOYSA-N 0 3 247.386 3.272 20 30 BGEDHN C=CCCCCN1CCc2sccc2C1 ZINC000556192505 388870882 /nfs/dbraw/zinc/87/08/82/388870882.db2.gz HEBNGMWUOABUDD-UHFFFAOYSA-N 0 3 221.369 3.463 20 30 BGEDHN C=CCCCCN1CCC[C@@H]1c1cc(C)no1 ZINC000556192589 388871030 /nfs/dbraw/zinc/87/10/30/388871030.db2.gz MKDOKDITDBNFJW-CYBMUJFWSA-N 0 3 234.343 3.476 20 30 BGEDHN C=CCCCCN1CCC[C@H]1c1cc(C)no1 ZINC000556192593 388870281 /nfs/dbraw/zinc/87/02/81/388870281.db2.gz MKDOKDITDBNFJW-ZDUSSCGKSA-N 0 3 234.343 3.476 20 30 BGEDHN C=CCCCCN(CC)Cc1ccncc1 ZINC000556247832 388871770 /nfs/dbraw/zinc/87/17/70/388871770.db2.gz FKNXDYKKXLFWLM-UHFFFAOYSA-N 0 3 218.344 3.260 20 30 BGEDHN C=CCCCCN1CCc2ccsc2C1 ZINC000556248230 388872225 /nfs/dbraw/zinc/87/22/25/388872225.db2.gz DTPKCYSZDOXIPB-UHFFFAOYSA-N 0 3 221.369 3.463 20 30 BGEDHN C=CCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000556257596 388873712 /nfs/dbraw/zinc/87/37/12/388873712.db2.gz SBGBPXFKMGWADL-AWEZNQCLSA-N 0 3 233.359 3.293 20 30 BGEDHN C=CCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000556257597 388873153 /nfs/dbraw/zinc/87/31/53/388873153.db2.gz SBGBPXFKMGWADL-CQSZACIVSA-N 0 3 233.359 3.293 20 30 BGEDHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000556257689 325788096 /nfs/dbraw/zinc/78/80/96/325788096.db2.gz JXTGNPZCOPIPGD-DDTOSNHZSA-N 0 3 232.302 3.099 20 30 BGEDHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000556257690 388352669 /nfs/dbraw/zinc/35/26/69/388352669.db2.gz JXTGNPZCOPIPGD-HONMWMINSA-N 0 3 232.302 3.099 20 30 BGEDHN CC#CCCN1CCC(CC(F)(F)F)CC1 ZINC000556506337 384418514 /nfs/dbraw/zinc/41/85/14/384418514.db2.gz CRVHCWWYJRHKKI-UHFFFAOYSA-N 0 3 233.277 3.064 20 30 BGEDHN C=C(C)CN1CCC=C(c2ccccc2)C1 ZINC000556507864 384417963 /nfs/dbraw/zinc/41/79/63/384417963.db2.gz GMEVEJGZJMYHBU-UHFFFAOYSA-N 0 3 213.324 3.352 20 30 BGEDHN CC(C)C(CN(C)CC(C)(C)C#N)C(C)C 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/nfs/dbraw/zinc/57/91/76/384579176.db2.gz BNWNPPMIYBUVMG-UHFFFAOYSA-N 0 3 245.366 3.483 20 30 BGEDHN C=CCOCCN(C)C/C(C)=C/c1ccccc1 ZINC000559187064 398268991 /nfs/dbraw/zinc/26/89/91/398268991.db2.gz YAUMNIPOFVKJCY-FYWRMAATSA-N 0 3 245.366 3.224 20 30 BGEDHN C=CCOCCN(C)C/C(C)=C\c1ccccc1 ZINC000559187065 398269030 /nfs/dbraw/zinc/26/90/30/398269030.db2.gz YAUMNIPOFVKJCY-SQFISAMPSA-N 0 3 245.366 3.224 20 30 BGEDHN C=CCCCCNCc1cc(OC)ccc1F ZINC000559295301 322962102 /nfs/dbraw/zinc/96/21/02/322962102.db2.gz WNWCNBLNEPTEMF-UHFFFAOYSA-N 0 3 237.318 3.280 20 30 BGEDHN C[C@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 ZINC000559333279 322963319 /nfs/dbraw/zinc/96/33/19/322963319.db2.gz QJBIDGRPGGPDKP-LLVKDONJSA-N 0 3 248.757 3.164 20 30 BGEDHN C[C@@H](Cc1ccc(Cl)cc1)NCC1(C#N)CC1 ZINC000559333283 385079939 /nfs/dbraw/zinc/07/99/39/385079939.db2.gz QJBIDGRPGGPDKP-NSHDSACASA-N 0 3 248.757 3.164 20 30 BGEDHN CC#CCN(C)[C@@H](CC)c1ccc(F)cc1 ZINC000559458256 384930446 /nfs/dbraw/zinc/93/04/46/384930446.db2.gz 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C=C(C)CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000560462924 384150088 /nfs/dbraw/zinc/15/00/88/384150088.db2.gz QXRRIVAWKKCPFJ-MRXNPFEDSA-N 0 3 245.366 3.200 20 30 BGEDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)s1 ZINC000560512497 344751062 /nfs/dbraw/zinc/75/10/62/344751062.db2.gz UDMXSOXMEXNTAZ-PHIMTYICSA-N 0 3 234.368 3.383 20 30 BGEDHN CC(C)C[C@@H](C)CN(C)CC(C)(C)C#N ZINC000560569001 384228163 /nfs/dbraw/zinc/22/81/63/384228163.db2.gz AZNTZCQJYIFDAA-GFCCVEGCSA-N 0 3 210.365 3.150 20 30 BGEDHN CC(C)C[C@H](C)CN(C)CC(C)(C)C#N ZINC000560569006 384227144 /nfs/dbraw/zinc/22/71/44/384227144.db2.gz AZNTZCQJYIFDAA-LBPRGKRZSA-N 0 3 210.365 3.150 20 30 BGEDHN CC1=C[C@H](C)C[C@@H](CN(C)CC(C)(C)C#N)C1 ZINC000560569827 384231033 /nfs/dbraw/zinc/23/10/33/384231033.db2.gz TWZSPPWIOQNYSK-GXTWGEPZSA-N 0 3 234.387 3.460 20 30 BGEDHN CC1=C[C@H](C)C[C@H](CN(C)CC(C)(C)C#N)C1 ZINC000560569830 384229707 /nfs/dbraw/zinc/22/97/07/384229707.db2.gz TWZSPPWIOQNYSK-JSGCOSHPSA-N 0 3 234.387 3.460 20 30 BGEDHN 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ZINC000562371919 323018108 /nfs/dbraw/zinc/01/81/08/323018108.db2.gz FIRKBWCMEIJMBI-UHFFFAOYSA-N 0 3 245.370 3.258 20 30 BGEDHN Cc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000562384237 345372220 /nfs/dbraw/zinc/37/22/20/345372220.db2.gz JRRBWNACDQOPRL-AWEZNQCLSA-N 0 3 242.366 3.210 20 30 BGEDHN Cc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000562384313 345372422 /nfs/dbraw/zinc/37/24/22/345372422.db2.gz JRRBWNACDQOPRL-CQSZACIVSA-N 0 3 242.366 3.210 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000562384339 345371996 /nfs/dbraw/zinc/37/19/96/345371996.db2.gz KULBJWZJMHLSQD-CABCVRRESA-N 0 3 240.350 3.216 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000562384345 345372402 /nfs/dbraw/zinc/37/24/02/345372402.db2.gz KULBJWZJMHLSQD-GJZGRUSLSA-N 0 3 240.350 3.216 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000562384347 345371906 /nfs/dbraw/zinc/37/19/06/345371906.db2.gz KULBJWZJMHLSQD-HUUCEWRRSA-N 0 3 240.350 3.216 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000562384348 345372244 /nfs/dbraw/zinc/37/22/44/345372244.db2.gz KULBJWZJMHLSQD-LSDHHAIUSA-N 0 3 240.350 3.216 20 30 BGEDHN CC(C)CC[C@@H]1CC[C@@H](NC[C@@H](C)C#N)C1 ZINC000562518008 323022582 /nfs/dbraw/zinc/02/25/82/323022582.db2.gz UKACXOWLNWQMIL-BFHYXJOUSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)CC[C@@H]1CC[C@H](NC[C@H](C)C#N)C1 ZINC000562518009 323022542 /nfs/dbraw/zinc/02/25/42/323022542.db2.gz UKACXOWLNWQMIL-MCIONIFRSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)CC[C@@H]1CC[C@@H](NC[C@H](C)C#N)C1 ZINC000562518010 323022587 /nfs/dbraw/zinc/02/25/87/323022587.db2.gz UKACXOWLNWQMIL-MGPQQGTHSA-N 0 3 222.376 3.341 20 30 BGEDHN CC(C)CC[C@@H]1CC[C@H](NC[C@@H](C)C#N)C1 ZINC000562518011 323022568 /nfs/dbraw/zinc/02/25/68/323022568.db2.gz UKACXOWLNWQMIL-MJBXVCDLSA-N 0 3 222.376 3.341 20 30 BGEDHN C=CCCCCN1Cc2ccccc2C1 ZINC000562529765 323022813 /nfs/dbraw/zinc/02/28/13/323022813.db2.gz KPTLKQPYPDGSKW-UHFFFAOYSA-N 0 3 201.313 3.359 20 30 BGEDHN C=CCCCCN(C)Cc1cccc(C)n1 ZINC000562535572 323023338 /nfs/dbraw/zinc/02/33/38/323023338.db2.gz ZAOBESUZKOOKLZ-UHFFFAOYSA-N 0 3 218.344 3.178 20 30 BGEDHN C=CCCCCN(C)Cc1conc1CC ZINC000562539805 323023913 /nfs/dbraw/zinc/02/39/13/323023913.db2.gz WNFKWXVTTZPDCO-UHFFFAOYSA-N 0 3 222.332 3.025 20 30 BGEDHN C=CCN(Cc1cccc(C#N)c1)CC1(C)CC1 ZINC000562626649 323025869 /nfs/dbraw/zinc/02/58/69/323025869.db2.gz QYKJRTUGSIIWFQ-UHFFFAOYSA-N 0 3 240.350 3.346 20 30 BGEDHN C=CCCCCN(C)CCC(F)(F)F ZINC000562689120 323027782 /nfs/dbraw/zinc/02/77/82/323027782.db2.gz XQMFREMADGRPJW-UHFFFAOYSA-N 0 3 209.255 3.227 20 30 BGEDHN C=CCCCCN(C)Cc1ccc(OC)c(O)c1 ZINC000562697625 323028139 /nfs/dbraw/zinc/02/81/39/323028139.db2.gz YUWLDPICHRJRLV-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=CCCCCCN(C)Cc1ccc(C#N)cn1 ZINC000563349614 323120093 /nfs/dbraw/zinc/12/00/93/323120093.db2.gz HYUXFEGXFKVEAY-UHFFFAOYSA-N 0 3 243.354 3.131 20 30 BGEDHN C=CCCCCCN[C@H](C)c1nccnc1C ZINC000563416804 323123571 /nfs/dbraw/zinc/12/35/71/323123571.db2.gz JWHBIMCOYYIMMU-GFCCVEGCSA-N 0 3 233.359 3.182 20 30 BGEDHN C=CCCCCCN[C@@H](C)c1nccnc1C ZINC000563416805 323123573 /nfs/dbraw/zinc/12/35/73/323123573.db2.gz JWHBIMCOYYIMMU-LBPRGKRZSA-N 0 3 233.359 3.182 20 30 BGEDHN C=CCCCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000563418394 323123732 /nfs/dbraw/zinc/12/37/32/323123732.db2.gz OXKVXDOLMWJIEZ-UHFFFAOYSA-N 0 3 237.318 3.367 20 30 BGEDHN C=CCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000563444891 323127038 /nfs/dbraw/zinc/12/70/38/323127038.db2.gz SFWIATBAQYGZAJ-NXEZZACHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000563444892 323126990 /nfs/dbraw/zinc/12/69/90/323126990.db2.gz SFWIATBAQYGZAJ-UWVGGRQHSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCC[C@H](C)N[C@H](C)c1cscn1 ZINC000563444893 323127027 /nfs/dbraw/zinc/12/70/27/323127027.db2.gz SFWIATBAQYGZAJ-VHSXEESVSA-N 0 3 210.346 3.148 20 30 BGEDHN C=CCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000563444894 323126961 /nfs/dbraw/zinc/12/69/61/323126961.db2.gz SFWIATBAQYGZAJ-ZJUUUORDSA-N 0 3 210.346 3.148 20 30 BGEDHN 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C=CCCCCN(Cc1ccccn1)C1CC1 ZINC000568832960 326378695 /nfs/dbraw/zinc/37/86/95/326378695.db2.gz IZFQYYZOFNYGSA-UHFFFAOYSA-N 0 3 230.355 3.402 20 30 BGEDHN CC(C)(CNCCC#N)C1=CCCCC1 ZINC000568976676 326384300 /nfs/dbraw/zinc/38/43/00/326384300.db2.gz BQDATSIUKWCMJW-UHFFFAOYSA-N 0 3 206.333 3.016 20 30 BGEDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C#N)s1 ZINC000569016786 326387066 /nfs/dbraw/zinc/38/70/66/326387066.db2.gz FEBADIPGUWZKCN-JTQLQIEISA-N 0 3 234.368 3.383 20 30 BGEDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C#N)s1 ZINC000569016787 326387071 /nfs/dbraw/zinc/38/70/71/326387071.db2.gz FEBADIPGUWZKCN-SNVBAGLBSA-N 0 3 234.368 3.383 20 30 BGEDHN C=CCOCCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000569083049 326388950 /nfs/dbraw/zinc/38/89/50/326388950.db2.gz OYBUWPMXKXNIIY-HNNXBMFYSA-N 0 3 247.382 3.499 20 30 BGEDHN C=CCOCCN(C)[C@H](C)c1ccc(C)cc1C ZINC000569083050 326389062 /nfs/dbraw/zinc/38/90/62/326389062.db2.gz OYBUWPMXKXNIIY-OAHLLOKOSA-N 0 3 247.382 3.499 20 30 BGEDHN C=CCCCN(C)Cc1c(C)nsc1C ZINC000569136584 326392376 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3.108 20 30 BGEDHN C=CCCCCCNCc1conc1CC ZINC000570176354 323052224 /nfs/dbraw/zinc/05/22/24/323052224.db2.gz RHUYSPZSJROTLS-UHFFFAOYSA-N 0 3 222.332 3.073 20 30 BGEDHN CC(C)(CC#N)CNCc1ccc2[nH]ccc2c1 ZINC000570226348 323053670 /nfs/dbraw/zinc/05/36/70/323053670.db2.gz XAKXZZVEQKJOFO-UHFFFAOYSA-N 0 3 241.338 3.197 20 30 BGEDHN CCc1ccc(CNCC(C)(C)CC#N)s1 ZINC000570296183 323055431 /nfs/dbraw/zinc/05/54/31/323055431.db2.gz HQZSFHUYZJTNDA-UHFFFAOYSA-N 0 3 236.384 3.340 20 30 BGEDHN C=C(CC)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000570358834 323057337 /nfs/dbraw/zinc/05/73/37/323057337.db2.gz UOATZNHYNABQDI-UHFFFAOYSA-N 0 3 235.375 3.105 20 30 BGEDHN CC(C)(C)CCCCNC[C@@H](C#N)CCC#N ZINC000570564668 323063004 /nfs/dbraw/zinc/06/30/04/323063004.db2.gz ZCNJLTXNMQAKGI-CYBMUJFWSA-N 0 3 235.375 3.236 20 30 BGEDHN CC(C)(C)CCCCNC[C@H](C#N)CCC#N ZINC000570564669 323062999 /nfs/dbraw/zinc/06/29/99/323062999.db2.gz ZCNJLTXNMQAKGI-ZDUSSCGKSA-N 0 3 235.375 3.236 20 30 BGEDHN CCc1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000570633281 323065401 /nfs/dbraw/zinc/06/54/01/323065401.db2.gz JHOMZPDQRRICRB-UHFFFAOYSA-N 0 3 246.354 3.358 20 30 BGEDHN CCC(CC)N(Cc1ccc(C#N)cn1)C1CC1 ZINC000570736010 323069057 /nfs/dbraw/zinc/06/90/57/323069057.db2.gz CZGLDBBIHXWBSV-UHFFFAOYSA-N 0 3 243.354 3.106 20 30 BGEDHN CCC[C@@H](NC[C@H](C#N)CCC#N)C1CCCC1 ZINC000570817943 323071358 /nfs/dbraw/zinc/07/13/58/323071358.db2.gz YMVSHHBVLGZMOD-DZGCQCFKSA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@H](NC[C@@H](C#N)CCC#N)C1CCCC1 ZINC000570817944 323071375 /nfs/dbraw/zinc/07/13/75/323071375.db2.gz YMVSHHBVLGZMOD-HIFRSBDPSA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@@H](NC[C@@H](C#N)CCC#N)C1CCCC1 ZINC000570817945 323071283 /nfs/dbraw/zinc/07/12/83/323071283.db2.gz YMVSHHBVLGZMOD-UKRRQHHQSA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@H](NC[C@H](C#N)CCC#N)C1CCCC1 ZINC000570817946 323071340 /nfs/dbraw/zinc/07/13/40/323071340.db2.gz YMVSHHBVLGZMOD-ZFWWWQNUSA-N 0 3 247.386 3.378 20 30 BGEDHN CC#CCN(C)[C@H]1CCc2c1cccc2Cl ZINC000570988854 323103130 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C=CC[C@H](CC)N[C@@H](C)c1cn2ccccc2n1 ZINC000571824889 387177568 /nfs/dbraw/zinc/17/75/68/387177568.db2.gz BTKCWRJELUFXBW-STQMWFEESA-N 0 3 243.354 3.340 20 30 BGEDHN N#CCCNCC1(Cc2ccccc2)CCCC1 ZINC000572029539 387223504 /nfs/dbraw/zinc/22/35/04/387223504.db2.gz OHAKXTRGSIYZPB-UHFFFAOYSA-N 0 3 242.366 3.293 20 30 BGEDHN C=CC[C@@H]1N(Cc2cnccn2)CCCC1(C)C ZINC000572120519 387239198 /nfs/dbraw/zinc/23/91/98/387239198.db2.gz RQLSUKSMJJBIRA-AWEZNQCLSA-N 0 3 245.370 3.043 20 30 BGEDHN C=CC[C@H]1N(Cc2cnccn2)CCCC1(C)C ZINC000572120520 387239541 /nfs/dbraw/zinc/23/95/41/387239541.db2.gz RQLSUKSMJJBIRA-CQSZACIVSA-N 0 3 245.370 3.043 20 30 BGEDHN CC#CCN(C)[C@H](C)c1cccc(C)c1 ZINC000572131336 387246908 /nfs/dbraw/zinc/24/69/08/387246908.db2.gz UMGWKPXKQAKJJO-CYBMUJFWSA-N 0 3 201.313 3.011 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1cccc(C)c1 ZINC000572131337 387246235 /nfs/dbraw/zinc/24/62/35/387246235.db2.gz UMGWKPXKQAKJJO-ZDUSSCGKSA-N 0 3 201.313 3.011 20 30 BGEDHN C=CCC[C@@H](C)NCc1noc2ccccc21 ZINC000572135445 387246429 /nfs/dbraw/zinc/24/64/29/387246429.db2.gz ZISQRPFFDAHEPO-LLVKDONJSA-N 0 3 230.311 3.272 20 30 BGEDHN C=CCC[C@H](C)NCc1noc2ccccc21 ZINC000572135446 323549862 /nfs/dbraw/zinc/54/98/62/323549862.db2.gz ZISQRPFFDAHEPO-NSHDSACASA-N 0 3 230.311 3.272 20 30 BGEDHN N#CCCNC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000572149446 387244372 /nfs/dbraw/zinc/24/43/72/387244372.db2.gz FKPLFIUBLNXVEY-CVEARBPZSA-N 0 3 242.366 3.464 20 30 BGEDHN N#CCCNC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000572149447 387244053 /nfs/dbraw/zinc/24/40/53/387244053.db2.gz FKPLFIUBLNXVEY-HOTGVXAUSA-N 0 3 242.366 3.464 20 30 BGEDHN N#CCCNC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000572149448 387243206 /nfs/dbraw/zinc/24/32/06/387243206.db2.gz FKPLFIUBLNXVEY-HZPDHXFCSA-N 0 3 242.366 3.464 20 30 BGEDHN N#CCCNC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000572149449 387243043 /nfs/dbraw/zinc/24/30/43/387243043.db2.gz FKPLFIUBLNXVEY-JKSUJKDBSA-N 0 3 242.366 3.464 20 30 BGEDHN C=CCCCCCNCc1ccnn1C(C)C ZINC000572256877 387288055 /nfs/dbraw/zinc/28/80/55/387288055.db2.gz YIDWGYWWGJCQKO-UHFFFAOYSA-N 0 3 235.375 3.300 20 30 BGEDHN CC1(C)CCC(C)(CNCCC#N)CC1 ZINC000572356561 387344457 /nfs/dbraw/zinc/34/44/57/387344457.db2.gz NLXRLRAGPNSROI-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN C=CCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000572391425 323618751 /nfs/dbraw/zinc/61/87/51/323618751.db2.gz IFCGUTIBMUQODM-UHFFFAOYSA-N 0 3 241.338 3.133 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN(C)CC(C)(C)C#N ZINC000572411197 387418593 /nfs/dbraw/zinc/41/85/93/387418593.db2.gz GWHVXURXYTTZDC-CHWSQXEVSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN(C)CC(C)(C)C#N ZINC000572411198 387417204 /nfs/dbraw/zinc/41/72/04/387417204.db2.gz GWHVXURXYTTZDC-OLZOCXBDSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H]1CCCC[C@@H]1CN(C)CC(C)(C)C#N ZINC000572411199 387419062 /nfs/dbraw/zinc/41/90/62/387419062.db2.gz GWHVXURXYTTZDC-QWHCGFSZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H]1CCCC[C@H]1CN(C)CC(C)(C)C#N ZINC000572411200 387418922 /nfs/dbraw/zinc/41/89/22/387418922.db2.gz GWHVXURXYTTZDC-STQMWFEESA-N 0 3 222.376 3.294 20 30 BGEDHN Cc1ccccc1C[C@H](C)N(C)CCCC#N ZINC000572468564 387536011 /nfs/dbraw/zinc/53/60/11/387536011.db2.gz FFIHAZCXZZVZDT-AWEZNQCLSA-N 0 3 230.355 3.162 20 30 BGEDHN Cc1ccccc1C[C@@H](C)N(C)CCCC#N ZINC000572468565 387534538 /nfs/dbraw/zinc/53/45/38/387534538.db2.gz FFIHAZCXZZVZDT-CQSZACIVSA-N 0 3 230.355 3.162 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000572710716 388368726 /nfs/dbraw/zinc/36/87/26/388368726.db2.gz XWRUFTGPNWURIA-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000572710717 326406079 /nfs/dbraw/zinc/40/60/79/326406079.db2.gz XWRUFTGPNWURIA-FRRDWIJNSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000572710718 388369002 /nfs/dbraw/zinc/36/90/02/388369002.db2.gz XWRUFTGPNWURIA-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000572710719 388368986 /nfs/dbraw/zinc/36/89/86/388368986.db2.gz XWRUFTGPNWURIA-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)N(CCC#N)CC1Cc2ccccc2C1 ZINC000572926844 323140911 /nfs/dbraw/zinc/14/09/11/323140911.db2.gz PPRWCDKYZIYDBS-UHFFFAOYSA-N 0 3 242.366 3.025 20 30 BGEDHN CC1(C)CC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000572971568 323037659 /nfs/dbraw/zinc/03/76/59/323037659.db2.gz FSDAAKNKIDCYGX-AWEZNQCLSA-N 0 3 247.769 3.470 20 30 BGEDHN CC1(C)CC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000572971573 323037708 /nfs/dbraw/zinc/03/77/08/323037708.db2.gz FSDAAKNKIDCYGX-CQSZACIVSA-N 0 3 247.769 3.470 20 30 BGEDHN C=CCCCNCc1coc(-c2ccccc2)n1 ZINC000573132853 388422764 /nfs/dbraw/zinc/42/27/64/388422764.db2.gz MIQZPVFHYTUZOH-UHFFFAOYSA-N 0 3 242.322 3.397 20 30 BGEDHN CCC(CC)CN(CCC#N)CC1(C)CC1 ZINC000573156219 388426817 /nfs/dbraw/zinc/42/68/17/388426817.db2.gz MAUIIROLFRVVBA-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cc(CC)no1 ZINC000573291709 326439895 /nfs/dbraw/zinc/43/98/95/326439895.db2.gz HEYQMGAGDOXTAS-GFCCVEGCSA-N 0 3 236.359 3.462 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cc(CC)no1 ZINC000573291710 388439521 /nfs/dbraw/zinc/43/95/21/388439521.db2.gz HEYQMGAGDOXTAS-LBPRGKRZSA-N 0 3 236.359 3.462 20 30 BGEDHN CCCCN(C(=O)C(C)C#N)C1CCCCC1 ZINC000573477305 364842575 /nfs/dbraw/zinc/84/25/75/364842575.db2.gz FAOCYNGNKWAARC-GFCCVEGCSA-N 0 3 236.359 3.107 20 30 BGEDHN CCCCN(C(=O)C(C)C#N)C1CCCCC1 ZINC000573477309 364842936 /nfs/dbraw/zinc/84/29/36/364842936.db2.gz FAOCYNGNKWAARC-LBPRGKRZSA-N 0 3 236.359 3.107 20 30 BGEDHN CCCN(Cc1cc(C#N)cs1)C(C)C ZINC000573625322 364878521 /nfs/dbraw/zinc/87/85/21/364878521.db2.gz ZQNLAOYLNHWBGM-UHFFFAOYSA-N 0 3 222.357 3.240 20 30 BGEDHN C[C@H](N(C)CC#Cc1ccccc1)C(C)(C)C ZINC000573680301 364891146 /nfs/dbraw/zinc/89/11/46/364891146.db2.gz RDOODXQQOXFYQS-AWEZNQCLSA-N 0 3 229.367 3.405 20 30 BGEDHN C[C@@H](N(C)CC#Cc1ccccc1)C(C)(C)C ZINC000573680302 364890740 /nfs/dbraw/zinc/89/07/40/364890740.db2.gz RDOODXQQOXFYQS-CQSZACIVSA-N 0 3 229.367 3.405 20 30 BGEDHN C=CCCCCN[C@H](C)c1nc(C)cs1 ZINC000573773408 364912260 /nfs/dbraw/zinc/91/22/60/364912260.db2.gz OBFASURLEXZEDI-LLVKDONJSA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCCN[C@@H](C)c1nc(C)cs1 ZINC000573773411 364912674 /nfs/dbraw/zinc/91/26/74/364912674.db2.gz OBFASURLEXZEDI-NSHDSACASA-N 0 3 224.373 3.458 20 30 BGEDHN C[C@@H](N(C)CC1(C#N)CCC1)C(C)(C)C ZINC000573791507 364916456 /nfs/dbraw/zinc/91/64/56/364916456.db2.gz JAICDKBSNXWTKT-LLVKDONJSA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@H](N(C)CC1(C#N)CCC1)C(C)(C)C ZINC000573791509 364916637 /nfs/dbraw/zinc/91/66/37/364916637.db2.gz JAICDKBSNXWTKT-NSHDSACASA-N 0 3 208.349 3.047 20 30 BGEDHN C=CCC(C)(C)CNCc1ccc2c(n1)CCC2 ZINC000573929371 364947962 /nfs/dbraw/zinc/94/79/62/364947962.db2.gz WUYQHKTYFREBNB-UHFFFAOYSA-N 0 3 244.382 3.262 20 30 BGEDHN CC(C)[C@@H]1N(Cc2ccc(C#N)cc2)CC1(C)C ZINC000574226294 365014787 /nfs/dbraw/zinc/01/47/87/365014787.db2.gz YAJKRFUPBMYHBR-HNNXBMFYSA-N 0 3 242.366 3.425 20 30 BGEDHN CC(C)[C@H]1N(Cc2ccc(C#N)cc2)CC1(C)C ZINC000574226295 365014503 /nfs/dbraw/zinc/01/45/03/365014503.db2.gz YAJKRFUPBMYHBR-OAHLLOKOSA-N 0 3 242.366 3.425 20 30 BGEDHN C=CC1CCN(Cc2ccc(OC)cc2F)CC1 ZINC000574283153 365029863 /nfs/dbraw/zinc/02/98/63/365029863.db2.gz KZWSRYJNTLLZMU-UHFFFAOYSA-N 0 3 249.329 3.232 20 30 BGEDHN N#CCCNCCCCCOC1CCCCC1 ZINC000574312540 365034606 /nfs/dbraw/zinc/03/46/06/365034606.db2.gz KZIFDYYHENHVOU-UHFFFAOYSA-N 0 3 238.375 3.009 20 30 BGEDHN CC(C)(CC#N)CNCc1cnc(C2CC2)s1 ZINC000574617022 365102099 /nfs/dbraw/zinc/10/20/99/365102099.db2.gz JBUVFSSANLOVJJ-UHFFFAOYSA-N 0 3 249.383 3.050 20 30 BGEDHN CC#CCN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000574675547 365118707 /nfs/dbraw/zinc/11/87/07/365118707.db2.gz NMWSNISUPRQJKK-KRWDZBQOSA-N 0 3 241.378 3.273 20 30 BGEDHN CC#CCN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000574675553 365117830 /nfs/dbraw/zinc/11/78/30/365117830.db2.gz NMWSNISUPRQJKK-QGZVFWFLSA-N 0 3 241.378 3.273 20 30 BGEDHN C=CCCCCN[C@H](CCOC)c1ccco1 ZINC000574720058 365129409 /nfs/dbraw/zinc/12/94/09/365129409.db2.gz GDNGIQVWTPLXFK-CYBMUJFWSA-N 0 3 237.343 3.303 20 30 BGEDHN C=CCCCCN[C@@H](CCOC)c1ccco1 ZINC000574720059 365129584 /nfs/dbraw/zinc/12/95/84/365129584.db2.gz GDNGIQVWTPLXFK-ZDUSSCGKSA-N 0 3 237.343 3.303 20 30 BGEDHN CCCC1CCC(CNCC2(C#N)CC2)CC1 ZINC000574731762 365122753 /nfs/dbraw/zinc/12/27/53/365122753.db2.gz BUFOXXQQLLZCDX-UHFFFAOYSA-N 0 3 234.387 3.486 20 30 BGEDHN C=C(CC)CN1CC[C@H](c2cc(C)ccn2)C1 ZINC000574767325 365140199 /nfs/dbraw/zinc/14/01/99/365140199.db2.gz ANDHCKRXILORFE-AWEZNQCLSA-N 0 3 230.355 3.146 20 30 BGEDHN C=C(CC)CN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000574767326 365140069 /nfs/dbraw/zinc/14/00/69/365140069.db2.gz ANDHCKRXILORFE-CQSZACIVSA-N 0 3 230.355 3.146 20 30 BGEDHN C=CCCCCN(Cc1ccncc1)C1CC1 ZINC000574957661 346461373 /nfs/dbraw/zinc/46/13/73/346461373.db2.gz ZEOFKCIURIBTIV-UHFFFAOYSA-N 0 3 230.355 3.402 20 30 BGEDHN CCCn1ccc(CN2CCC(CC#N)CC2)c1 ZINC000574973743 346478141 /nfs/dbraw/zinc/47/81/41/346478141.db2.gz OIZLQBFIBOBFHU-UHFFFAOYSA-N 0 3 245.370 3.024 20 30 BGEDHN CC(C)C[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000576213024 365523533 /nfs/dbraw/zinc/52/35/33/365523533.db2.gz GJUXBKIUYILEJF-KBPBESRZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)C[C@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000576213025 365523064 /nfs/dbraw/zinc/52/30/64/365523064.db2.gz GJUXBKIUYILEJF-KGLIPLIRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)C[C@@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000576213026 365523340 /nfs/dbraw/zinc/52/33/40/365523340.db2.gz GJUXBKIUYILEJF-UONOGXRCSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)C[C@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000576213027 365523288 /nfs/dbraw/zinc/52/32/88/365523288.db2.gz GJUXBKIUYILEJF-ZIAGYGMSSA-N 0 3 234.387 3.485 20 30 BGEDHN Cc1cccc(CC[C@H](C)NCC2(C#N)CC2)c1 ZINC000576416094 365591025 /nfs/dbraw/zinc/59/10/25/365591025.db2.gz CGYOYUCRJAITRC-AWEZNQCLSA-N 0 3 242.366 3.210 20 30 BGEDHN Cc1cccc(CC[C@@H](C)NCC2(C#N)CC2)c1 ZINC000576416095 365591079 /nfs/dbraw/zinc/59/10/79/365591079.db2.gz CGYOYUCRJAITRC-CQSZACIVSA-N 0 3 242.366 3.210 20 30 BGEDHN C[C@@H](CCNC[C@H](C#N)CCC#N)CC(C)(C)C ZINC000576512089 365613342 /nfs/dbraw/zinc/61/33/42/365613342.db2.gz UBCPCUCMVGWZDX-KBPBESRZSA-N 0 3 249.402 3.482 20 30 BGEDHN C[C@H](CCNC[C@H](C#N)CCC#N)CC(C)(C)C ZINC000576512090 365613352 /nfs/dbraw/zinc/61/33/52/365613352.db2.gz UBCPCUCMVGWZDX-KGLIPLIRSA-N 0 3 249.402 3.482 20 30 BGEDHN C[C@@H](CCNC[C@@H](C#N)CCC#N)CC(C)(C)C ZINC000576512091 365613716 /nfs/dbraw/zinc/61/37/16/365613716.db2.gz UBCPCUCMVGWZDX-UONOGXRCSA-N 0 3 249.402 3.482 20 30 BGEDHN C[C@H](CCNC[C@@H](C#N)CCC#N)CC(C)(C)C ZINC000576512092 365613136 /nfs/dbraw/zinc/61/31/36/365613136.db2.gz UBCPCUCMVGWZDX-ZIAGYGMSSA-N 0 3 249.402 3.482 20 30 BGEDHN C=CCCCCN(C)Cc1scnc1C ZINC000576700108 365661490 /nfs/dbraw/zinc/66/14/90/365661490.db2.gz MYMPUCSKMZKPBT-UHFFFAOYSA-N 0 3 224.373 3.240 20 30 BGEDHN C[C@H](C#N)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000577137468 365833917 /nfs/dbraw/zinc/83/39/17/365833917.db2.gz 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0 3 237.343 3.221 20 30 BGEDHN Cc1cc(OCC2(C#N)CCC2)c(C)c(C)n1 ZINC000577388856 365943059 /nfs/dbraw/zinc/94/30/59/365943059.db2.gz PSHKGLXYXBTLGX-UHFFFAOYSA-N 0 3 230.311 3.080 20 30 BGEDHN C=C(C)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000577398290 365945899 /nfs/dbraw/zinc/94/58/99/365945899.db2.gz KWGFUOSCWMHBDN-CYBMUJFWSA-N 0 3 219.303 3.191 20 30 BGEDHN C=C(C)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000577398291 365945720 /nfs/dbraw/zinc/94/57/20/365945720.db2.gz KWGFUOSCWMHBDN-ZDUSSCGKSA-N 0 3 219.303 3.191 20 30 BGEDHN CC(C)CC(C)(C)CNC[C@@H](C#N)CCC#N ZINC000577483784 365965950 /nfs/dbraw/zinc/96/59/50/365965950.db2.gz DHHCIGATNZCTOR-CYBMUJFWSA-N 0 3 235.375 3.092 20 30 BGEDHN CC(C)CC(C)(C)CNC[C@H](C#N)CCC#N ZINC000577483786 365965149 /nfs/dbraw/zinc/96/51/49/365965149.db2.gz DHHCIGATNZCTOR-ZDUSSCGKSA-N 0 3 235.375 3.092 20 30 BGEDHN CCCCN(CCCC)Cc1ccc(C#N)cn1 ZINC000577505243 365971516 /nfs/dbraw/zinc/97/15/16/365971516.db2.gz GDUTWIZMTPAYMR-UHFFFAOYSA-N 0 3 245.370 3.355 20 30 BGEDHN Cc1occc1CN1CCC(CCC#N)CC1 ZINC000577635172 366028726 /nfs/dbraw/zinc/02/87/26/366028726.db2.gz WPAUBSRIHKDLDZ-UHFFFAOYSA-N 0 3 232.327 3.104 20 30 BGEDHN C[C@@H]1c2c(F)cccc2CCN1CCCCC#N ZINC000577800423 366062373 /nfs/dbraw/zinc/06/23/73/366062373.db2.gz WJMREMBDQWHPMY-GFCCVEGCSA-N 0 3 246.329 3.439 20 30 BGEDHN C[C@H]1c2c(F)cccc2CCN1CCCCC#N ZINC000577800424 366062316 /nfs/dbraw/zinc/06/23/16/366062316.db2.gz WJMREMBDQWHPMY-LBPRGKRZSA-N 0 3 246.329 3.439 20 30 BGEDHN C[C@H](CCc1cccc(F)c1)NCC1(C#N)CC1 ZINC000577814524 366068715 /nfs/dbraw/zinc/06/87/15/366068715.db2.gz WSERWNPEYOYPFG-GFCCVEGCSA-N 0 3 246.329 3.040 20 30 BGEDHN C[C@@H](CCc1cccc(F)c1)NCC1(C#N)CC1 ZINC000577814525 366068228 /nfs/dbraw/zinc/06/82/28/366068228.db2.gz WSERWNPEYOYPFG-LBPRGKRZSA-N 0 3 246.329 3.040 20 30 BGEDHN C=CCCCCN(C)[C@H](C)c1cccnc1 ZINC000577933871 366108247 /nfs/dbraw/zinc/10/82/47/366108247.db2.gz JQGQTHUMRZPXOO-CYBMUJFWSA-N 0 3 218.344 3.431 20 30 BGEDHN C=CCCCCN(C)[C@@H](C)c1cccnc1 ZINC000577933872 366107418 /nfs/dbraw/zinc/10/74/18/366107418.db2.gz JQGQTHUMRZPXOO-ZDUSSCGKSA-N 0 3 218.344 3.431 20 30 BGEDHN CCCC[C@@H](C)N(CCCC)C(=O)C(C)C#N ZINC000577976136 366149750 /nfs/dbraw/zinc/14/97/50/366149750.db2.gz CGHGCZSOCYGRLK-CHWSQXEVSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCC[C@H](C)N(CCCC)C(=O)C(C)C#N ZINC000577976137 366156908 /nfs/dbraw/zinc/15/69/08/366156908.db2.gz CGHGCZSOCYGRLK-OLZOCXBDSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCC[C@@H](C)N(CCCC)C(=O)C(C)C#N ZINC000577976138 366156756 /nfs/dbraw/zinc/15/67/56/366156756.db2.gz CGHGCZSOCYGRLK-QWHCGFSZSA-N 0 3 238.375 3.353 20 30 BGEDHN CCCC[C@H](C)N(CCCC)C(=O)C(C)C#N ZINC000577976139 366157072 /nfs/dbraw/zinc/15/70/72/366157072.db2.gz CGHGCZSOCYGRLK-STQMWFEESA-N 0 3 238.375 3.353 20 30 BGEDHN Cc1cc(CNCC(C)(C)CC#N)c(C)s1 ZINC000577988733 366161652 /nfs/dbraw/zinc/16/16/52/366161652.db2.gz OMIHEIDSFYUAEW-UHFFFAOYSA-N 0 3 236.384 3.394 20 30 BGEDHN CC[C@@H](CC#N)NCCCc1cccc(F)c1 ZINC000578245085 366469816 /nfs/dbraw/zinc/46/98/16/366469816.db2.gz BZZZQUBHHWHRHS-AWEZNQCLSA-N 0 3 234.318 3.040 20 30 BGEDHN CC[C@H](CC#N)NCCCc1cccc(F)c1 ZINC000578245086 366469954 /nfs/dbraw/zinc/46/99/54/366469954.db2.gz BZZZQUBHHWHRHS-CQSZACIVSA-N 0 3 234.318 3.040 20 30 BGEDHN CC1(C)CC(NCC2(C#N)CC2)CC(C)(C)C1 ZINC000578299939 366476300 /nfs/dbraw/zinc/47/63/00/366476300.db2.gz ZDZIRNGSYWFIGE-UHFFFAOYSA-N 0 3 234.387 3.485 20 30 BGEDHN C=C(C)CN1Cc2ccccc2OC(C)(C)C1 ZINC000578310794 366484970 /nfs/dbraw/zinc/48/49/70/366484970.db2.gz IAQQTIJDDKRCHZ-UHFFFAOYSA-N 0 3 231.339 3.236 20 30 BGEDHN CC(C)C(C)(C)NCc1ccc(C#N)cc1F ZINC000578460252 366574665 /nfs/dbraw/zinc/57/46/65/366574665.db2.gz BCDGYJVUVRTUFX-UHFFFAOYSA-N 0 3 234.318 3.222 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CC1)C1CCCC1 ZINC000578483901 366577723 /nfs/dbraw/zinc/57/77/23/366577723.db2.gz NBWNENFUVYMIGT-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CCC[C@H](NCC1(C#N)CC1)C1CCCC1 ZINC000578483902 366577644 /nfs/dbraw/zinc/57/76/44/366577644.db2.gz NBWNENFUVYMIGT-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](Cc1ccc(Cl)cc1)NCCC#N ZINC000578499753 366580764 /nfs/dbraw/zinc/58/07/64/366580764.db2.gz YVSXEIVNQDQZEQ-CYBMUJFWSA-N 0 3 236.746 3.164 20 30 BGEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCCC#N ZINC000578499754 366580079 /nfs/dbraw/zinc/58/00/79/366580079.db2.gz YVSXEIVNQDQZEQ-ZDUSSCGKSA-N 0 3 236.746 3.164 20 30 BGEDHN C=CCN(C)CCc1ccc(F)cc1Cl ZINC000578585227 366601619 /nfs/dbraw/zinc/60/16/19/366601619.db2.gz YUYJODDNWGPNBT-UHFFFAOYSA-N 0 3 227.710 3.139 20 30 BGEDHN C=CCCCC[C@@H](C)NCC1(C#N)CC1 ZINC000578593547 366603192 /nfs/dbraw/zinc/60/31/92/366603192.db2.gz IZEFMSNECCWQSM-GFCCVEGCSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCCCC[C@H](C)NCC1(C#N)CC1 ZINC000578593548 366602928 /nfs/dbraw/zinc/60/29/28/366602928.db2.gz IZEFMSNECCWQSM-LBPRGKRZSA-N 0 3 206.333 3.015 20 30 BGEDHN CCc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000578754533 366639310 /nfs/dbraw/zinc/63/93/10/366639310.db2.gz BRRQLQDJQYNFET-DZGCQCFKSA-N 0 3 228.339 3.031 20 30 BGEDHN CC[C@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000578783926 366647370 /nfs/dbraw/zinc/64/73/70/366647370.db2.gz VOIAUCLDEKILJK-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CC[C@@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000578783927 366648737 /nfs/dbraw/zinc/64/87/37/366648737.db2.gz VOIAUCLDEKILJK-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN C[C@H](CCc1ccccc1F)NCC1(C#N)CC1 ZINC000579190061 366729906 /nfs/dbraw/zinc/72/99/06/366729906.db2.gz JXYDCRQZWBLQNU-GFCCVEGCSA-N 0 3 246.329 3.040 20 30 BGEDHN C[C@@H](CCc1ccccc1F)NCC1(C#N)CC1 ZINC000579190062 366730023 /nfs/dbraw/zinc/73/00/23/366730023.db2.gz JXYDCRQZWBLQNU-LBPRGKRZSA-N 0 3 246.329 3.040 20 30 BGEDHN C=CCC[C@H](NCc1ccn(C(C)C)n1)C1CC1 ZINC000579430969 366783518 /nfs/dbraw/zinc/78/35/18/366783518.db2.gz GFUWBOCGANJSBB-HNNXBMFYSA-N 0 3 247.386 3.298 20 30 BGEDHN C=CCC[C@@H](NCc1ccn(C(C)C)n1)C1CC1 ZINC000579430970 366783286 /nfs/dbraw/zinc/78/32/86/366783286.db2.gz GFUWBOCGANJSBB-OAHLLOKOSA-N 0 3 247.386 3.298 20 30 BGEDHN CC[C@@H](Cc1ccc(C)cc1)NCC1(C#N)CC1 ZINC000579546669 366859910 /nfs/dbraw/zinc/85/99/10/366859910.db2.gz UOOYHBJTVLVIIS-HNNXBMFYSA-N 0 3 242.366 3.210 20 30 BGEDHN CC[C@H](Cc1ccc(C)cc1)NCC1(C#N)CC1 ZINC000579546670 366860912 /nfs/dbraw/zinc/86/09/12/366860912.db2.gz UOOYHBJTVLVIIS-OAHLLOKOSA-N 0 3 242.366 3.210 20 30 BGEDHN C=C(C)CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000579650114 366927550 /nfs/dbraw/zinc/92/75/50/366927550.db2.gz WSDFARABLNEYKP-INIZCTEOSA-N 0 3 243.350 3.032 20 30 BGEDHN C=C(C)CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000579650121 366927836 /nfs/dbraw/zinc/92/78/36/366927836.db2.gz WSDFARABLNEYKP-MRXNPFEDSA-N 0 3 243.350 3.032 20 30 BGEDHN C=CCCCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000579972236 367109462 /nfs/dbraw/zinc/10/94/62/367109462.db2.gz RIWCJFIQYOQPPZ-CYBMUJFWSA-N 0 3 235.375 3.126 20 30 BGEDHN C=CCCCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000579972237 367109527 /nfs/dbraw/zinc/10/95/27/367109527.db2.gz RIWCJFIQYOQPPZ-ZDUSSCGKSA-N 0 3 235.375 3.126 20 30 BGEDHN CC1(C)c2ccccc2CCN1CCCC#N ZINC000579986235 411394746 /nfs/dbraw/zinc/39/47/46/411394746.db2.gz NYPKSMWBGRXLGQ-UHFFFAOYSA-N 0 3 228.339 3.084 20 30 BGEDHN C=C[C@H]1CCCCN1CCc1ncc(C)cc1C ZINC000580068530 346508137 /nfs/dbraw/zinc/50/81/37/346508137.db2.gz MCKHYFIXPRATBS-HNNXBMFYSA-N 0 3 244.382 3.281 20 30 BGEDHN C=C[C@@H]1CCCCN1CCc1ncc(C)cc1C ZINC000580068531 346508183 /nfs/dbraw/zinc/50/81/83/346508183.db2.gz MCKHYFIXPRATBS-OAHLLOKOSA-N 0 3 244.382 3.281 20 30 BGEDHN C=CCCCCN(CC)Cc1ccccn1 ZINC000580155803 346571799 /nfs/dbraw/zinc/57/17/99/346571799.db2.gz MJZISIFQXNKDDW-UHFFFAOYSA-N 0 3 218.344 3.260 20 30 BGEDHN CCC[C@@H](NC[C@@H](C#N)CCC#N)C(C)(C)C ZINC000580435861 359546465 /nfs/dbraw/zinc/54/64/65/359546465.db2.gz MZBVWPFYOHGPHN-CHWSQXEVSA-N 0 3 235.375 3.234 20 30 BGEDHN CCC[C@H](NC[C@@H](C#N)CCC#N)C(C)(C)C ZINC000580435863 359547213 /nfs/dbraw/zinc/54/72/13/359547213.db2.gz MZBVWPFYOHGPHN-OLZOCXBDSA-N 0 3 235.375 3.234 20 30 BGEDHN CCC[C@@H](NC[C@H](C#N)CCC#N)C(C)(C)C ZINC000580435864 359546792 /nfs/dbraw/zinc/54/67/92/359546792.db2.gz MZBVWPFYOHGPHN-QWHCGFSZSA-N 0 3 235.375 3.234 20 30 BGEDHN CCC[C@H](NC[C@H](C#N)CCC#N)C(C)(C)C ZINC000580435865 359547057 /nfs/dbraw/zinc/54/70/57/359547057.db2.gz MZBVWPFYOHGPHN-STQMWFEESA-N 0 3 235.375 3.234 20 30 BGEDHN C=CCCCCCNCc1cc(OC)cc(C)n1 ZINC000580449583 359556524 /nfs/dbraw/zinc/55/65/24/359556524.db2.gz USEQVUKORCWXKU-UHFFFAOYSA-N 0 3 248.370 3.235 20 30 BGEDHN C=CCCCCN(Cc1cccnc1)C1CC1 ZINC000580516996 365270633 /nfs/dbraw/zinc/27/06/33/365270633.db2.gz DEQCBQNUDFKNJS-UHFFFAOYSA-N 0 3 230.355 3.402 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cn2ccccc2n1 ZINC000580657982 365854532 /nfs/dbraw/zinc/85/45/32/365854532.db2.gz FOGFBMIZLJBUPX-GFCCVEGCSA-N 0 3 243.354 3.197 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000580657983 365854432 /nfs/dbraw/zinc/85/44/32/365854432.db2.gz FOGFBMIZLJBUPX-LBPRGKRZSA-N 0 3 243.354 3.197 20 30 BGEDHN C=CCOCCN(C)Cc1ccc(C(C)C)cc1 ZINC000580846539 367187181 /nfs/dbraw/zinc/18/71/81/367187181.db2.gz OMDKATTYHWYGMR-UHFFFAOYSA-N 0 3 247.382 3.444 20 30 BGEDHN C[C@H](CNCC1(C#N)CC1)c1cccc(Cl)c1 ZINC000580870030 367191699 /nfs/dbraw/zinc/19/16/99/367191699.db2.gz FAJANXRCJNOXMR-LLVKDONJSA-N 0 3 248.757 3.337 20 30 BGEDHN C[C@@H](CNCC1(C#N)CC1)c1cccc(Cl)c1 ZINC000580870031 367192293 /nfs/dbraw/zinc/19/22/93/367192293.db2.gz FAJANXRCJNOXMR-NSHDSACASA-N 0 3 248.757 3.337 20 30 BGEDHN CCC[C@@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC000580870170 367192633 /nfs/dbraw/zinc/19/26/33/367192633.db2.gz ZXTPSDLUSLBJPL-HNNXBMFYSA-N 0 3 242.366 3.291 20 30 BGEDHN CCC[C@H](Cc1ccccc1)NCC1(C#N)CC1 ZINC000580870174 367192012 /nfs/dbraw/zinc/19/20/12/367192012.db2.gz ZXTPSDLUSLBJPL-OAHLLOKOSA-N 0 3 242.366 3.291 20 30 BGEDHN C[C@@H]1C[C@H](C)N1CCC1(C#N)CCCCC1 ZINC000580938599 367210800 /nfs/dbraw/zinc/21/08/00/367210800.db2.gz SZXHYFHPAFBSBW-BETUJISGSA-N 0 3 220.360 3.333 20 30 BGEDHN C[C@@H]1C[C@@H](C)N1CCC1(C#N)CCCCC1 ZINC000580938600 367210531 /nfs/dbraw/zinc/21/05/31/367210531.db2.gz SZXHYFHPAFBSBW-CHWSQXEVSA-N 0 3 220.360 3.333 20 30 BGEDHN C[C@H]1C[C@H](C)N1CCC1(C#N)CCCCC1 ZINC000580938601 367210470 /nfs/dbraw/zinc/21/04/70/367210470.db2.gz SZXHYFHPAFBSBW-STQMWFEESA-N 0 3 220.360 3.333 20 30 BGEDHN C=CCN(C)CCn1ccc2cc(Cl)ccc21 ZINC000581100007 388571412 /nfs/dbraw/zinc/57/14/12/388571412.db2.gz LUECPBXLJOHZOZ-UHFFFAOYSA-N 0 3 248.757 3.413 20 30 BGEDHN C[C@@H]1[C@H](NCC2(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000581108871 367264385 /nfs/dbraw/zinc/26/43/85/367264385.db2.gz NFOWYZVSPWKBOC-AEGPPILISA-N 0 3 240.350 3.072 20 30 BGEDHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1(C#N)CC1 ZINC000581108872 367264202 /nfs/dbraw/zinc/26/42/02/367264202.db2.gz NFOWYZVSPWKBOC-CFVMTHIKSA-N 0 3 240.350 3.072 20 30 BGEDHN C[C@@H]1[C@H](NCC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000581108873 367263999 /nfs/dbraw/zinc/26/39/99/367263999.db2.gz NFOWYZVSPWKBOC-NWANDNLSSA-N 0 3 240.350 3.072 20 30 BGEDHN C[C@@H]1[C@@H](NCC2(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000581108874 367264489 /nfs/dbraw/zinc/26/44/89/367264489.db2.gz 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ONCARGSZAZMYOI-IHRRRGAJSA-N 0 3 234.387 3.341 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H](NCC2(C#N)CC2)C[C@H]1C ZINC000581168508 367281320 /nfs/dbraw/zinc/28/13/20/367281320.db2.gz ONCARGSZAZMYOI-MCIONIFRSA-N 0 3 234.387 3.341 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H](NCC2(C#N)CC2)C[C@@H]1C ZINC000581168510 367280805 /nfs/dbraw/zinc/28/08/05/367280805.db2.gz ONCARGSZAZMYOI-MJBXVCDLSA-N 0 3 234.387 3.341 20 30 BGEDHN CC(C)[C@@H]1CC[C@H](NCC2(C#N)CC2)C[C@H]1C ZINC000581168511 367280727 /nfs/dbraw/zinc/28/07/27/367280727.db2.gz ONCARGSZAZMYOI-RDBSUJKOSA-N 0 3 234.387 3.341 20 30 BGEDHN CN(CC#Cc1ccccc1Cl)C(C)(C)C ZINC000581189506 367288065 /nfs/dbraw/zinc/28/80/65/367288065.db2.gz TYZMJTNBWOKMEK-UHFFFAOYSA-N 0 3 235.758 3.422 20 30 BGEDHN CC[C@H](CC#N)NCC1CCC(F)(F)CC1 ZINC000581202599 367294926 /nfs/dbraw/zinc/29/49/26/367294926.db2.gz ZZHOUYJEHVRBCI-LLVKDONJSA-N 0 3 230.302 3.094 20 30 BGEDHN CC[C@@H](CC#N)NCC1CCC(F)(F)CC1 ZINC000581202600 367295036 /nfs/dbraw/zinc/29/50/36/367295036.db2.gz 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C[C@@]1(C#N)CCCN(CC23CCC(CC2)C3)C1 ZINC000590715465 347500296 /nfs/dbraw/zinc/50/02/96/347500296.db2.gz GFVPEZMXTNSGGH-SLTAFYQDSA-N 0 3 232.371 3.192 20 30 BGEDHN C[C@@H]1CCCCC[C@H]1NCC1(C#N)CCC1 ZINC000590717938 347686927 /nfs/dbraw/zinc/68/69/27/347686927.db2.gz QUJPBHRGRZTCHK-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCCCC[C@@H]1NCC1(C#N)CCC1 ZINC000590717939 347686990 /nfs/dbraw/zinc/68/69/90/347686990.db2.gz QUJPBHRGRZTCHK-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCCCC[C@H]1NCC1(C#N)CCC1 ZINC000590717940 347686853 /nfs/dbraw/zinc/68/68/53/347686853.db2.gz QUJPBHRGRZTCHK-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCCCC[C@@H]1NCC1(C#N)CCC1 ZINC000590717941 347686869 /nfs/dbraw/zinc/68/68/69/347686869.db2.gz QUJPBHRGRZTCHK-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN Cc1ccc(CN(C)CCCC(C)(C)C#N)nc1 ZINC000590754390 347505163 /nfs/dbraw/zinc/50/51/63/347505163.db2.gz DSAMOQVZRJASCE-UHFFFAOYSA-N 0 3 245.370 3.152 20 30 BGEDHN CC/C=C/CN[C@H]1CCCc2cc(C#N)ccc21 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Cc1ncc([C@H](C)NCC(C)(C)CC#N)s1 ZINC000591243341 347633668 /nfs/dbraw/zinc/63/36/68/347633668.db2.gz UHPYCUUCLSLMOQ-VIFPVBQESA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1ccc([C@@H](C)NCC(C)(C)CC#N)c(C)n1 ZINC000591243342 347633508 /nfs/dbraw/zinc/63/35/08/347633508.db2.gz UNJRYMTZDSAGCC-GFCCVEGCSA-N 0 3 245.370 3.289 20 30 BGEDHN Cc1ccc([C@H](C)NCC(C)(C)CC#N)c(C)n1 ZINC000591243343 347633784 /nfs/dbraw/zinc/63/37/84/347633784.db2.gz UNJRYMTZDSAGCC-LBPRGKRZSA-N 0 3 245.370 3.289 20 30 BGEDHN N#Cc1csc(CN2CC[C@@H](C3CCC3)C2)c1 ZINC000591267740 347635851 /nfs/dbraw/zinc/63/58/51/347635851.db2.gz JNSKHELBJNNSCA-CYBMUJFWSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1csc(CN2CC[C@H](C3CCC3)C2)c1 ZINC000591267741 347635968 /nfs/dbraw/zinc/63/59/68/347635968.db2.gz JNSKHELBJNNSCA-ZDUSSCGKSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000591267754 347635825 /nfs/dbraw/zinc/63/58/25/347635825.db2.gz KXBOOIFFOVCWBT-GFCCVEGCSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1ccc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000591267755 347636092 /nfs/dbraw/zinc/63/60/92/347636092.db2.gz KXBOOIFFOVCWBT-LBPRGKRZSA-N 0 3 246.379 3.242 20 30 BGEDHN CC[C@H](Cc1cccs1)NCC1(C#N)CCC1 ZINC000591357598 347644521 /nfs/dbraw/zinc/64/45/21/347644521.db2.gz AHFZMPPIZSWLSJ-GFCCVEGCSA-N 0 3 248.395 3.353 20 30 BGEDHN CC[C@@H](Cc1cccs1)NCC1(C#N)CCC1 ZINC000591357599 347644540 /nfs/dbraw/zinc/64/45/40/347644540.db2.gz AHFZMPPIZSWLSJ-LBPRGKRZSA-N 0 3 248.395 3.353 20 30 BGEDHN C=CCC1(CNC[C@H](C#N)CCC#N)CCCC1 ZINC000591374859 347649821 /nfs/dbraw/zinc/64/98/21/347649821.db2.gz ZRUSGVPRCVGXAQ-AWEZNQCLSA-N 0 3 245.370 3.156 20 30 BGEDHN C=CCC1(CNC[C@@H](C#N)CCC#N)CCCC1 ZINC000591374860 347649755 /nfs/dbraw/zinc/64/97/55/347649755.db2.gz ZRUSGVPRCVGXAQ-CQSZACIVSA-N 0 3 245.370 3.156 20 30 BGEDHN CC1(C)CCC[C@H](CNC[C@H](C#N)CCC#N)C1 ZINC000591376149 347650660 /nfs/dbraw/zinc/65/06/60/347650660.db2.gz IDPHITHPBFELKK-KBPBESRZSA-N 0 3 247.386 3.236 20 30 BGEDHN CC1(C)CCC[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC000591376150 347650106 /nfs/dbraw/zinc/65/01/06/347650106.db2.gz IDPHITHPBFELKK-KGLIPLIRSA-N 0 3 247.386 3.236 20 30 BGEDHN CC1(C)CCC[C@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000591376151 347650082 /nfs/dbraw/zinc/65/00/82/347650082.db2.gz IDPHITHPBFELKK-UONOGXRCSA-N 0 3 247.386 3.236 20 30 BGEDHN CC1(C)CCC[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC000591376152 347650642 /nfs/dbraw/zinc/65/06/42/347650642.db2.gz IDPHITHPBFELKK-ZIAGYGMSSA-N 0 3 247.386 3.236 20 30 BGEDHN C=CCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378885 347652004 /nfs/dbraw/zinc/65/20/04/347652004.db2.gz DDMDBNPXXLFMSW-UHFFFAOYSA-N 0 3 237.293 3.330 20 30 BGEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2C2CC2)C1 ZINC000591639806 347681871 /nfs/dbraw/zinc/68/18/71/347681871.db2.gz PULKKPYMBSEBKJ-DOMZBBRYSA-N 0 3 240.350 3.346 20 30 BGEDHN CCCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000591640192 347682497 /nfs/dbraw/zinc/68/24/97/347682497.db2.gz OLBNJBGFLHHNNU-JKSUJKDBSA-N 0 3 242.366 3.421 20 30 BGEDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000591659799 347684171 /nfs/dbraw/zinc/68/41/71/347684171.db2.gz SJKNJFBGBQMXOX-HZSPNIEDSA-N 0 3 243.354 3.041 20 30 BGEDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000591659800 347683622 /nfs/dbraw/zinc/68/36/22/347683622.db2.gz SJKNJFBGBQMXOX-MELADBBJSA-N 0 3 243.354 3.041 20 30 BGEDHN CCC1CCC(CNC[C@H](C#N)CCC#N)CC1 ZINC000591727894 347693515 /nfs/dbraw/zinc/69/35/15/347693515.db2.gz FUNFBFWIRICVQB-NRXISQOPSA-N 0 3 247.386 3.236 20 30 BGEDHN CCC1CCC(CNC[C@@H](C#N)CCC#N)CC1 ZINC000591727895 347693286 /nfs/dbraw/zinc/69/32/86/347693286.db2.gz FUNFBFWIRICVQB-YMAMQOFZSA-N 0 3 247.386 3.236 20 30 BGEDHN CCC[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000591733515 385562029 /nfs/dbraw/zinc/56/20/29/385562029.db2.gz BOWFQIYUZXRMPG-KFWWJZLASA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@@H]1CCCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000591733516 347693980 /nfs/dbraw/zinc/69/39/80/347693980.db2.gz BOWFQIYUZXRMPG-RBSFLKMASA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@@H]1CCCC[C@H]1NC[C@H](C#N)CCC#N ZINC000591733517 347693854 /nfs/dbraw/zinc/69/38/54/347693854.db2.gz BOWFQIYUZXRMPG-RRFJBIMHSA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000591733518 347693970 /nfs/dbraw/zinc/69/39/70/347693970.db2.gz BOWFQIYUZXRMPG-ZNMIVQPWSA-N 0 3 247.386 3.378 20 30 BGEDHN CCC[C@@H]1CCCC[C@@H]1CNCCC#N ZINC000591770409 347698046 /nfs/dbraw/zinc/69/80/46/347698046.db2.gz CQLAQCYKNFKPCD-CHWSQXEVSA-N 0 3 208.349 3.096 20 30 BGEDHN CCC[C@@H]1CCCC[C@H]1CNCCC#N ZINC000591770410 347698041 /nfs/dbraw/zinc/69/80/41/347698041.db2.gz CQLAQCYKNFKPCD-OLZOCXBDSA-N 0 3 208.349 3.096 20 30 BGEDHN CCC[C@H]1CCCC[C@@H]1CNCCC#N ZINC000591770411 347698025 /nfs/dbraw/zinc/69/80/25/347698025.db2.gz CQLAQCYKNFKPCD-QWHCGFSZSA-N 0 3 208.349 3.096 20 30 BGEDHN CCC[C@H]1CCCC[C@H]1CNCCC#N ZINC000591770412 347698035 /nfs/dbraw/zinc/69/80/35/347698035.db2.gz CQLAQCYKNFKPCD-STQMWFEESA-N 0 3 208.349 3.096 20 30 BGEDHN C=C(C)CN1CCCO[C@H](c2ccccc2)C1 ZINC000591815980 347700674 /nfs/dbraw/zinc/70/06/74/347700674.db2.gz XSOGOUDIXHXMRM-HNNXBMFYSA-N 0 3 231.339 3.026 20 30 BGEDHN C=C(C)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000591815984 347700434 /nfs/dbraw/zinc/70/04/34/347700434.db2.gz XSOGOUDIXHXMRM-OAHLLOKOSA-N 0 3 231.339 3.026 20 30 BGEDHN CN(CC1=CCCC1)Cc1ccc(C#N)cc1 ZINC000592058267 347731839 /nfs/dbraw/zinc/73/18/39/347731839.db2.gz GLUXTBJYAJZESY-UHFFFAOYSA-N 0 3 226.323 3.100 20 30 BGEDHN CC(C)CN(Cc1ccncc1C#N)CC(C)C ZINC000592058912 347732674 /nfs/dbraw/zinc/73/26/74/347732674.db2.gz QGFSDWUHECMZSB-UHFFFAOYSA-N 0 3 245.370 3.067 20 30 BGEDHN CC(C)(C)CC(C)(C)NCc1ccncc1C#N ZINC000592067032 347726709 /nfs/dbraw/zinc/72/67/09/347726709.db2.gz NGOBHXPZYCVEJB-UHFFFAOYSA-N 0 3 245.370 3.258 20 30 BGEDHN CC[C@H]1CCCCCN1Cc1ccncc1C#N ZINC000592072060 347728472 /nfs/dbraw/zinc/72/84/72/347728472.db2.gz HUUKBEHSUCJEDN-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CC[C@@H]1CCCCCN1Cc1ccncc1C#N ZINC000592072061 347728057 /nfs/dbraw/zinc/72/80/57/347728057.db2.gz HUUKBEHSUCJEDN-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN CC(C)N(Cc1ccncc1C#N)C1CCCC1 ZINC000592080875 584889283 /nfs/dbraw/zinc/88/92/83/584889283.db2.gz TXGPRJBELADUPF-UHFFFAOYSA-N 0 3 243.354 3.106 20 30 BGEDHN CCC(CC)(CC)NCc1ccncc1C#N ZINC000592082082 491072365 /nfs/dbraw/zinc/07/23/65/491072365.db2.gz DSDNHMRJYRDXKU-UHFFFAOYSA-N 0 3 231.343 3.012 20 30 BGEDHN C[C@@H](NCC1=CCCC1)c1cccc(C#N)c1 ZINC000592093120 347739974 /nfs/dbraw/zinc/73/99/74/347739974.db2.gz LBJWWKISWGHQJT-GFCCVEGCSA-N 0 3 226.323 3.319 20 30 BGEDHN C[C@H](NCC1=CCCC1)c1cccc(C#N)c1 ZINC000592093142 347740046 /nfs/dbraw/zinc/74/00/46/347740046.db2.gz LBJWWKISWGHQJT-LBPRGKRZSA-N 0 3 226.323 3.319 20 30 BGEDHN C[C@@H](NCc1ccncc1C#N)C1CCCCC1 ZINC000592095417 347739734 /nfs/dbraw/zinc/73/97/34/347739734.db2.gz WEVDLLDLUHUXPX-GFCCVEGCSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H](NCc1ccncc1C#N)C1CCCCC1 ZINC000592095418 347740130 /nfs/dbraw/zinc/74/01/30/347740130.db2.gz WEVDLLDLUHUXPX-LBPRGKRZSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H](NCC1=CCCC1)c1ccc(C#N)cc1F ZINC000592101499 347734171 /nfs/dbraw/zinc/73/41/71/347734171.db2.gz YSRYWOYSPIHBIZ-LLVKDONJSA-N 0 3 244.313 3.458 20 30 BGEDHN C[C@H](NCC1=CCCC1)c1ccc(C#N)cc1F ZINC000592101517 347734186 /nfs/dbraw/zinc/73/41/86/347734186.db2.gz YSRYWOYSPIHBIZ-NSHDSACASA-N 0 3 244.313 3.458 20 30 BGEDHN N#Cc1cccc(C2(NCC3=CCCC3)CC2)c1 ZINC000592104468 347734220 /nfs/dbraw/zinc/73/42/20/347734220.db2.gz KIKRFTADVDUOCO-UHFFFAOYSA-N 0 3 238.334 3.247 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592106711 347735050 /nfs/dbraw/zinc/73/50/50/347735050.db2.gz OHKKHXACSLUVBS-DOMZBBRYSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592106712 347734676 /nfs/dbraw/zinc/73/46/76/347734676.db2.gz OHKKHXACSLUVBS-IUODEOHRSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592106713 347734903 /nfs/dbraw/zinc/73/49/03/347734903.db2.gz OHKKHXACSLUVBS-SWLSCSKDSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592106714 347734943 /nfs/dbraw/zinc/73/49/43/347734943.db2.gz OHKKHXACSLUVBS-WFASDCNBSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCCC[C@@H]1NCc1ccncc1C#N ZINC000592106945 347735071 /nfs/dbraw/zinc/73/50/71/347735071.db2.gz XPLGQWASKDOALC-AWEZNQCLSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCCC[C@H]1NCc1ccncc1C#N ZINC000592106946 347734909 /nfs/dbraw/zinc/73/49/09/347734909.db2.gz XPLGQWASKDOALC-CQSZACIVSA-N 0 3 243.354 3.012 20 30 BGEDHN CCC[C@H](NCc1ccncc1C#N)C1CCC1 ZINC000592125179 347738192 /nfs/dbraw/zinc/73/81/92/347738192.db2.gz SPEYTVMABCUOEY-HNNXBMFYSA-N 0 3 243.354 3.012 20 30 BGEDHN CCC[C@@H](NCc1ccncc1C#N)C1CCC1 ZINC000592125180 347738417 /nfs/dbraw/zinc/73/84/17/347738417.db2.gz SPEYTVMABCUOEY-OAHLLOKOSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H]1CCCC[C@]1(C)NCc1ccncc1C#N ZINC000592125426 347738304 /nfs/dbraw/zinc/73/83/04/347738304.db2.gz XARRPNPSICNGMJ-DOMZBBRYSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H]1CCCC[C@@]1(C)NCc1ccncc1C#N ZINC000592125427 347738112 /nfs/dbraw/zinc/73/81/12/347738112.db2.gz XARRPNPSICNGMJ-IUODEOHRSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H]1CCCC[C@@]1(C)NCc1ccncc1C#N ZINC000592125428 347738043 /nfs/dbraw/zinc/73/80/43/347738043.db2.gz XARRPNPSICNGMJ-SWLSCSKDSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H]1CCCC[C@]1(C)NCc1ccncc1C#N ZINC000592125429 347738060 /nfs/dbraw/zinc/73/80/60/347738060.db2.gz XARRPNPSICNGMJ-WFASDCNBSA-N 0 3 243.354 3.012 20 30 BGEDHN CCC[C@H](NCc1ccncc1C#N)C(C)(C)C ZINC000592126877 347739140 /nfs/dbraw/zinc/73/91/40/347739140.db2.gz SDSOQEZYQRXVRY-AWEZNQCLSA-N 0 3 245.370 3.258 20 30 BGEDHN CCC[C@@H](NCc1ccncc1C#N)C(C)(C)C ZINC000592126883 347739116 /nfs/dbraw/zinc/73/91/16/347739116.db2.gz SDSOQEZYQRXVRY-CQSZACIVSA-N 0 3 245.370 3.258 20 30 BGEDHN N#CCCCNC1(c2ccccc2F)CCC1 ZINC000592144283 397945662 /nfs/dbraw/zinc/94/56/62/397945662.db2.gz HJXFJXFXZHHFDQ-UHFFFAOYSA-N 0 3 232.302 3.098 20 30 BGEDHN N#CCCCNC1(c2cccc(F)c2)CCC1 ZINC000592144730 397945683 /nfs/dbraw/zinc/94/56/83/397945683.db2.gz LEFTXBVXFQVBDR-UHFFFAOYSA-N 0 3 232.302 3.098 20 30 BGEDHN N#CCCCCNC1(c2ccccc2F)CCC1 ZINC000592145006 385567756 /nfs/dbraw/zinc/56/77/56/385567756.db2.gz SHQHGMXNJPFURJ-UHFFFAOYSA-N 0 3 246.329 3.488 20 30 BGEDHN Cc1cccc(C2(NCCCC#N)CCC2)c1 ZINC000592145776 385567774 /nfs/dbraw/zinc/56/77/74/385567774.db2.gz AMASHLIOBYJDRS-UHFFFAOYSA-N 0 3 228.339 3.268 20 30 BGEDHN CC1(C)CCC[C@H]1[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000592153898 347744191 /nfs/dbraw/zinc/74/41/91/347744191.db2.gz LUBGDQPRHSJUHQ-KBPBESRZSA-N 0 3 246.398 3.438 20 30 BGEDHN CC1(C)CCC[C@H]1[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000592153899 347744612 /nfs/dbraw/zinc/74/46/12/347744612.db2.gz LUBGDQPRHSJUHQ-KGLIPLIRSA-N 0 3 246.398 3.438 20 30 BGEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000592153900 347744369 /nfs/dbraw/zinc/74/43/69/347744369.db2.gz LUBGDQPRHSJUHQ-UONOGXRCSA-N 0 3 246.398 3.438 20 30 BGEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000592153901 347744167 /nfs/dbraw/zinc/74/41/67/347744167.db2.gz LUBGDQPRHSJUHQ-ZIAGYGMSSA-N 0 3 246.398 3.438 20 30 BGEDHN Cc1ccc(C2(NCCCC#N)CCC2)cc1 ZINC000592187856 347760525 /nfs/dbraw/zinc/76/05/25/347760525.db2.gz MAPYERAHRBKKIT-UHFFFAOYSA-N 0 3 228.339 3.268 20 30 BGEDHN CCN(CCSC)Cc1ccc(C#N)c(C)c1 ZINC000592203009 347754890 /nfs/dbraw/zinc/75/48/90/347754890.db2.gz VXUMQUYKHXRDFT-UHFFFAOYSA-N 0 3 248.395 3.052 20 30 BGEDHN CCN(CCSC)[C@H](C)c1cccc(C#N)c1 ZINC000592203686 347755678 /nfs/dbraw/zinc/75/56/78/347755678.db2.gz NNQZFJKDWJPHPW-GFCCVEGCSA-N 0 3 248.395 3.304 20 30 BGEDHN CCN(CCSC)[C@@H](C)c1cccc(C#N)c1 ZINC000592203687 347755695 /nfs/dbraw/zinc/75/56/95/347755695.db2.gz NNQZFJKDWJPHPW-LBPRGKRZSA-N 0 3 248.395 3.304 20 30 BGEDHN CCN(CCSC)Cc1ccc(C#N)cc1C ZINC000592203696 347755375 /nfs/dbraw/zinc/75/53/75/347755375.db2.gz NRSMERDGUOPJDQ-UHFFFAOYSA-N 0 3 248.395 3.052 20 30 BGEDHN C=CCN1CCCC[C@H]1c1ccccc1OC ZINC000592330151 347767899 /nfs/dbraw/zinc/76/78/99/347767899.db2.gz LNUJAWDTAKPOTO-AWEZNQCLSA-N 0 3 231.339 3.408 20 30 BGEDHN C=CCN1CCCC[C@@H]1c1ccccc1OC ZINC000592330152 347767806 /nfs/dbraw/zinc/76/78/06/347767806.db2.gz LNUJAWDTAKPOTO-CQSZACIVSA-N 0 3 231.339 3.408 20 30 BGEDHN CC(C)C[C@H](NCCCC#N)c1ccncc1 ZINC000592389112 385571712 /nfs/dbraw/zinc/57/17/12/385571712.db2.gz BTJADPBEANJTLP-AWEZNQCLSA-N 0 3 231.343 3.062 20 30 BGEDHN CC(C)C[C@@H](NCCCC#N)c1ccncc1 ZINC000592389113 385571379 /nfs/dbraw/zinc/57/13/79/385571379.db2.gz BTJADPBEANJTLP-CQSZACIVSA-N 0 3 231.343 3.062 20 30 BGEDHN Cc1ccccc1C1(N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000592391929 347776212 /nfs/dbraw/zinc/77/62/12/347776212.db2.gz YDFBHHQEYQZXSH-KBPBESRZSA-N 0 3 240.350 3.266 20 30 BGEDHN Cc1ccccc1C1(N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000592391930 347776088 /nfs/dbraw/zinc/77/60/88/347776088.db2.gz YDFBHHQEYQZXSH-KGLIPLIRSA-N 0 3 240.350 3.266 20 30 BGEDHN Cc1ccccc1C1(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000592391931 347775930 /nfs/dbraw/zinc/77/59/30/347775930.db2.gz YDFBHHQEYQZXSH-UONOGXRCSA-N 0 3 240.350 3.266 20 30 BGEDHN Cc1ccccc1C1(N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000592391932 347776028 /nfs/dbraw/zinc/77/60/28/347776028.db2.gz YDFBHHQEYQZXSH-ZIAGYGMSSA-N 0 3 240.350 3.266 20 30 BGEDHN CC(C)(CCC#N)CN1CC(C)(CC(F)F)C1 ZINC000592523446 347794841 /nfs/dbraw/zinc/79/48/41/347794841.db2.gz LUSJBKPSQDGUQW-UHFFFAOYSA-N 0 3 244.329 3.293 20 30 BGEDHN CN(CCC(C)(C)C)Cc1cc(C#N)cs1 ZINC000592523714 347794596 /nfs/dbraw/zinc/79/45/96/347794596.db2.gz RRRRCTVOHGVPGY-UHFFFAOYSA-N 0 3 236.384 3.488 20 30 BGEDHN CN(CCC(C)(C)C)Cc1ccc(C#N)o1 ZINC000592524035 347794679 /nfs/dbraw/zinc/79/46/79/347794679.db2.gz TWEXKILXVLCFRS-UHFFFAOYSA-N 0 3 220.316 3.019 20 30 BGEDHN CN(CCC(C)(C)C)Cc1ccc(C#N)s1 ZINC000592524072 347794928 /nfs/dbraw/zinc/79/49/28/347794928.db2.gz UVSOEIPZEPGNRO-UHFFFAOYSA-N 0 3 236.384 3.488 20 30 BGEDHN N#Cc1ccc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000592529539 347796336 /nfs/dbraw/zinc/79/63/36/347796336.db2.gz LRNCULDPDAXTSF-HNNXBMFYSA-N 0 3 244.338 3.306 20 30 BGEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000592529549 347796451 /nfs/dbraw/zinc/79/64/51/347796451.db2.gz LRNCULDPDAXTSF-OAHLLOKOSA-N 0 3 244.338 3.306 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000592882308 491073902 /nfs/dbraw/zinc/07/39/02/491073902.db2.gz TXMRUZWBUGIBMA-BXUZGUMPSA-N 0 3 248.370 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC000592882309 491073898 /nfs/dbraw/zinc/07/38/98/491073898.db2.gz TXMRUZWBUGIBMA-FZMZJTMJSA-N 0 3 248.370 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC000592882310 491073889 /nfs/dbraw/zinc/07/38/89/491073889.db2.gz TXMRUZWBUGIBMA-RISCZKNCSA-N 0 3 248.370 3.011 20 30 BGEDHN CC(C#N)C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC000592882311 491073905 /nfs/dbraw/zinc/07/39/05/491073905.db2.gz TXMRUZWBUGIBMA-SMDDNHRTSA-N 0 3 248.370 3.011 20 30 BGEDHN C=C(C)CN1CCCc2sccc2C1 ZINC000592984562 347836180 /nfs/dbraw/zinc/83/61/80/347836180.db2.gz RVWJZVSGOKLJEL-UHFFFAOYSA-N 0 3 207.342 3.072 20 30 BGEDHN N#Cc1cccc(CN2CCC23CCCC3)c1 ZINC000593037698 347843044 /nfs/dbraw/zinc/84/30/44/347843044.db2.gz CHHDPGJTPXMABP-UHFFFAOYSA-N 0 3 226.323 3.077 20 30 BGEDHN N#Cc1ccc(CN2CCC23CCCC3)cc1 ZINC000593037834 347843280 /nfs/dbraw/zinc/84/32/80/347843280.db2.gz DVBAFVCRVGPQOM-UHFFFAOYSA-N 0 3 226.323 3.077 20 30 BGEDHN N#Cc1ccccc1CN1CCC12CCCC2 ZINC000593038390 347843159 /nfs/dbraw/zinc/84/31/59/347843159.db2.gz IPWFLWRDKSSFKL-UHFFFAOYSA-N 0 3 226.323 3.077 20 30 BGEDHN N#Cc1ccc(CN2CCC23CCCC3)cc1F ZINC000593038953 347843236 /nfs/dbraw/zinc/84/32/36/347843236.db2.gz ODQKOXFBZCDYMH-UHFFFAOYSA-N 0 3 244.313 3.216 20 30 BGEDHN Cc1ccccc1C1(NCCCC#N)CCC1 ZINC000593039438 347843299 /nfs/dbraw/zinc/84/32/99/347843299.db2.gz LKEDSQWPCGGRTJ-UHFFFAOYSA-N 0 3 228.339 3.268 20 30 BGEDHN Cc1cc(CN2CCC23CCCC3)ccc1C#N ZINC000593039642 347843378 /nfs/dbraw/zinc/84/33/78/347843378.db2.gz UJFGXWMMKAEOJX-UHFFFAOYSA-N 0 3 240.350 3.385 20 30 BGEDHN C[C@]1(c2cccc(F)c2)CCN(CCCC#N)C1 ZINC000593041486 347844111 /nfs/dbraw/zinc/84/41/11/347844111.db2.gz UHHSCZCSCWTOCA-HNNXBMFYSA-N 0 3 246.329 3.093 20 30 BGEDHN C[C@@]1(c2cccc(F)c2)CCN(CCCC#N)C1 ZINC000593041487 347843742 /nfs/dbraw/zinc/84/37/42/347843742.db2.gz UHHSCZCSCWTOCA-OAHLLOKOSA-N 0 3 246.329 3.093 20 30 BGEDHN C[C@H](CSc1ccccc1)N(C)CCCC#N ZINC000593045403 347843974 /nfs/dbraw/zinc/84/39/74/347843974.db2.gz IREICDDUGZDWPG-CYBMUJFWSA-N 0 3 248.395 3.403 20 30 BGEDHN C[C@@H](CSc1ccccc1)N(C)CCCC#N ZINC000593045410 347843821 /nfs/dbraw/zinc/84/38/21/347843821.db2.gz IREICDDUGZDWPG-ZDUSSCGKSA-N 0 3 248.395 3.403 20 30 BGEDHN N#Cc1c(F)cccc1CNC1(C2CCC2)CC1 ZINC000593079547 347850831 /nfs/dbraw/zinc/85/08/31/347850831.db2.gz DEFYOUWOOZDKPF-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(F)c(CNC2(C3CCC3)CC2)c1 ZINC000593080851 347851536 /nfs/dbraw/zinc/85/15/36/347851536.db2.gz AQGDOJHYZHAGMD-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1cccc(CNC2(C3CCC3)CC2)c1F ZINC000593081305 347851662 /nfs/dbraw/zinc/85/16/62/347851662.db2.gz LZGTWTFDOIEGGS-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CNC2(C3CCC3)CC2)c(F)c1 ZINC000593083688 347852406 /nfs/dbraw/zinc/85/24/06/347852406.db2.gz LKUBNQWRSYBJCR-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN C[C@@H](NCc1cccc(F)c1C#N)C(C)(C)C ZINC000593103001 347858458 /nfs/dbraw/zinc/85/84/58/347858458.db2.gz IRSWMFLSEKLYCP-SNVBAGLBSA-N 0 3 234.318 3.222 20 30 BGEDHN C[C@@H]1CN(CCCC#N)CCc2ccc(F)cc21 ZINC000593117564 347862975 /nfs/dbraw/zinc/86/29/75/347862975.db2.gz PIQZXLMKUREIPV-GFCCVEGCSA-N 0 3 246.329 3.091 20 30 BGEDHN C[C@H]1CN(CCCC#N)CCc2ccc(F)cc21 ZINC000593117565 347862608 /nfs/dbraw/zinc/86/26/08/347862608.db2.gz PIQZXLMKUREIPV-LBPRGKRZSA-N 0 3 246.329 3.091 20 30 BGEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CC)CC#N)C1 ZINC000593614815 347915558 /nfs/dbraw/zinc/91/55/58/347915558.db2.gz CXJHOFYBHGHAKM-AGIUHOORSA-N 0 3 206.333 3.013 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CC)CC#N)C1 ZINC000593614816 347915484 /nfs/dbraw/zinc/91/54/84/347915484.db2.gz CXJHOFYBHGHAKM-FRRDWIJNSA-N 0 3 206.333 3.013 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CC)CC#N)C1 ZINC000593614817 347915335 /nfs/dbraw/zinc/91/53/35/347915335.db2.gz CXJHOFYBHGHAKM-JHJVBQTASA-N 0 3 206.333 3.013 20 30 BGEDHN C=CC[C@@H]1CC[C@H](N[C@H](CC)CC#N)C1 ZINC000593614818 347915617 /nfs/dbraw/zinc/91/56/17/347915617.db2.gz CXJHOFYBHGHAKM-UPJWGTAASA-N 0 3 206.333 3.013 20 30 BGEDHN CC[C@@]1(C)CCC[C@@H]1NCC(C)(C)C#N ZINC000593615510 347915296 /nfs/dbraw/zinc/91/52/96/347915296.db2.gz QRZUCAHXQOWGGM-AAEUAGOBSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@]1(C)CCC[C@H]1NCC(C)(C)C#N ZINC000593615511 347915348 /nfs/dbraw/zinc/91/53/48/347915348.db2.gz QRZUCAHXQOWGGM-DGCLKSJQSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@]1(C)CCC[C@@H]1NCC(C)(C)C#N ZINC000593615512 347915369 /nfs/dbraw/zinc/91/53/69/347915369.db2.gz QRZUCAHXQOWGGM-WCQYABFASA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@]1(C)CCC[C@H]1NCC(C)(C)C#N ZINC000593615513 347915342 /nfs/dbraw/zinc/91/53/42/347915342.db2.gz QRZUCAHXQOWGGM-YPMHNXCESA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@]1(C)CC ZINC000593615655 347915551 /nfs/dbraw/zinc/91/55/51/347915551.db2.gz RAERQLIMDLQZIG-AGIUHOORSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@]1(C)CC ZINC000593615656 347915620 /nfs/dbraw/zinc/91/56/20/347915620.db2.gz RAERQLIMDLQZIG-FRRDWIJNSA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@]1(C)CC ZINC000593615657 347915612 /nfs/dbraw/zinc/91/56/12/347915612.db2.gz RAERQLIMDLQZIG-JHJVBQTASA-N 0 3 208.349 3.237 20 30 BGEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@]1(C)CC ZINC000593615658 347915407 /nfs/dbraw/zinc/91/54/07/347915407.db2.gz RAERQLIMDLQZIG-UPJWGTAASA-N 0 3 208.349 3.237 20 30 BGEDHN CCC1(CC)CCC(NC[C@H](C)C#N)CC1 ZINC000593615837 347915474 /nfs/dbraw/zinc/91/54/74/347915474.db2.gz SUOWEULGAMDZPL-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN CCC1(CC)CCC(NC[C@@H](C)C#N)CC1 ZINC000593615838 347915839 /nfs/dbraw/zinc/91/58/39/347915839.db2.gz SUOWEULGAMDZPL-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN CCc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000593616637 347916233 /nfs/dbraw/zinc/91/62/33/347916233.db2.gz BRRQLQDJQYNFET-HIFRSBDPSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000593616638 347915925 /nfs/dbraw/zinc/91/59/25/347915925.db2.gz BRRQLQDJQYNFET-UKRRQHHQSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000593616639 347916132 /nfs/dbraw/zinc/91/61/32/347916132.db2.gz BRRQLQDJQYNFET-ZFWWWQNUSA-N 0 3 228.339 3.031 20 30 BGEDHN CCc1cccc(CNCC2(CC#N)CC2)c1 ZINC000593621276 347916641 /nfs/dbraw/zinc/91/66/41/347916641.db2.gz GUISWJUVJOCBGT-UHFFFAOYSA-N 0 3 228.339 3.032 20 30 BGEDHN CC[C@]1(C)CCC[C@H]1NCC1(C#N)CCC1 ZINC000593632304 347917849 /nfs/dbraw/zinc/91/78/49/347917849.db2.gz BXBIICOURMMPLK-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@@]1(C)CCC[C@H]1NCC1(C#N)CCC1 ZINC000593632305 347917961 /nfs/dbraw/zinc/91/79/61/347917961.db2.gz BXBIICOURMMPLK-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@]1(C)CCC[C@@H]1NCC1(C#N)CCC1 ZINC000593632306 347917988 /nfs/dbraw/zinc/91/79/88/347917988.db2.gz BXBIICOURMMPLK-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@@]1(C)CCC[C@@H]1NCC1(C#N)CCC1 ZINC000593632307 347917918 /nfs/dbraw/zinc/91/79/18/347917918.db2.gz BXBIICOURMMPLK-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000593634246 347918700 /nfs/dbraw/zinc/91/87/00/347918700.db2.gz ZQHKNTKVWLMILA-CHWSQXEVSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000593634248 347918690 /nfs/dbraw/zinc/91/86/90/347918690.db2.gz ZQHKNTKVWLMILA-OLZOCXBDSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000593634251 347918552 /nfs/dbraw/zinc/91/85/52/347918552.db2.gz ZQHKNTKVWLMILA-QWHCGFSZSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000593634254 347918585 /nfs/dbraw/zinc/91/85/85/347918585.db2.gz ZQHKNTKVWLMILA-STQMWFEESA-N 0 3 218.344 3.015 20 30 BGEDHN CC(C)(CC#N)CNCc1cccc2c1CCC2 ZINC000593641232 347925601 /nfs/dbraw/zinc/92/56/01/347925601.db2.gz GCYJZHWGKBLEON-UHFFFAOYSA-N 0 3 242.366 3.205 20 30 BGEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000593642620 347925715 /nfs/dbraw/zinc/92/57/15/347925715.db2.gz WPMQXIZLKVKSJR-WCQYABFASA-N 0 3 248.757 3.430 20 30 BGEDHN N#Cc1csc(CN2CCC23CCCC3)c1 ZINC000593647018 347926109 /nfs/dbraw/zinc/92/61/09/347926109.db2.gz VODRXBBHSFFHEG-UHFFFAOYSA-N 0 3 232.352 3.138 20 30 BGEDHN N#Cc1ccc(CN2CCC23CCCC3)s1 ZINC000593647214 347926428 /nfs/dbraw/zinc/92/64/28/347926428.db2.gz YBYGPMAKSGESSE-UHFFFAOYSA-N 0 3 232.352 3.138 20 30 BGEDHN C=CCC[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653460 347921320 /nfs/dbraw/zinc/92/13/20/347921320.db2.gz LWBSKFYNMYCYND-GFCCVEGCSA-N 0 3 206.333 3.015 20 30 BGEDHN C=CCC[C@H](C)NCC1(C#N)CCCC1 ZINC000593653461 347921323 /nfs/dbraw/zinc/92/13/23/347921323.db2.gz LWBSKFYNMYCYND-LBPRGKRZSA-N 0 3 206.333 3.015 20 30 BGEDHN C[C@@H](CCC(F)(F)F)NCC1(C#N)CCCC1 ZINC000593653532 347921317 /nfs/dbraw/zinc/92/13/17/347921317.db2.gz PNXDLOJDPCDQOF-JTQLQIEISA-N 0 3 248.292 3.391 20 30 BGEDHN C[C@H](CCC(F)(F)F)NCC1(C#N)CCCC1 ZINC000593653535 347921460 /nfs/dbraw/zinc/92/14/60/347921460.db2.gz PNXDLOJDPCDQOF-SNVBAGLBSA-N 0 3 248.292 3.391 20 30 BGEDHN CCC[C@@H](C)CNCC1(C#N)CCCC1 ZINC000593653588 347922229 /nfs/dbraw/zinc/92/22/29/347922229.db2.gz QWSDRGWEPQAJAK-GFCCVEGCSA-N 0 3 208.349 3.096 20 30 BGEDHN CCC[C@H](C)CNCC1(C#N)CCCC1 ZINC000593653589 347921941 /nfs/dbraw/zinc/92/19/41/347921941.db2.gz QWSDRGWEPQAJAK-LBPRGKRZSA-N 0 3 208.349 3.096 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653604 347921995 /nfs/dbraw/zinc/92/19/95/347921995.db2.gz RTPUEZMZZUOHBB-CHWSQXEVSA-N 0 3 220.360 3.261 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCC1(C#N)CCCC1 ZINC000593653605 347922331 /nfs/dbraw/zinc/92/23/31/347922331.db2.gz RTPUEZMZZUOHBB-OLZOCXBDSA-N 0 3 220.360 3.261 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)NCC1(C#N)CCCC1 ZINC000593653606 347922117 /nfs/dbraw/zinc/92/21/17/347922117.db2.gz RTPUEZMZZUOHBB-QWHCGFSZSA-N 0 3 220.360 3.261 20 30 BGEDHN C=CC[C@H](C)[C@H](C)NCC1(C#N)CCCC1 ZINC000593653607 347922029 /nfs/dbraw/zinc/92/20/29/347922029.db2.gz RTPUEZMZZUOHBB-STQMWFEESA-N 0 3 220.360 3.261 20 30 BGEDHN C[C@H](CC1CCC1)NCC1(C#N)CCCC1 ZINC000593653783 347922411 /nfs/dbraw/zinc/92/24/11/347922411.db2.gz XJJXLQJPRWQQID-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CC1CCC1)NCC1(C#N)CCCC1 ZINC000593653784 347922095 /nfs/dbraw/zinc/92/20/95/347922095.db2.gz XJJXLQJPRWQQID-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN C=CCC[C@@H](CC)NCC1(C#N)CCCC1 ZINC000593653813 347922073 /nfs/dbraw/zinc/92/20/73/347922073.db2.gz ZTQYYWFNOSCNGJ-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCC[C@H](CC)NCC1(C#N)CCCC1 ZINC000593653814 347921969 /nfs/dbraw/zinc/92/19/69/347921969.db2.gz ZTQYYWFNOSCNGJ-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653941 347921939 /nfs/dbraw/zinc/92/19/39/347921939.db2.gz KSMUHOWRGPEGOO-KBPBESRZSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653942 347922207 /nfs/dbraw/zinc/92/22/07/347922207.db2.gz KSMUHOWRGPEGOO-KGLIPLIRSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653943 347922237 /nfs/dbraw/zinc/92/22/37/347922237.db2.gz KSMUHOWRGPEGOO-UONOGXRCSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653944 347922169 /nfs/dbraw/zinc/92/21/69/347922169.db2.gz KSMUHOWRGPEGOO-ZIAGYGMSSA-N 0 3 232.371 3.405 20 30 BGEDHN CC(C)[C@@H]1CCC[C@@H]1NCC1(C#N)CCCC1 ZINC000593654486 347922402 /nfs/dbraw/zinc/92/24/02/347922402.db2.gz DHMICURVLOCMIH-KBPBESRZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@H]1CCC[C@@H]1NCC1(C#N)CCCC1 ZINC000593654488 347922183 /nfs/dbraw/zinc/92/21/83/347922183.db2.gz DHMICURVLOCMIH-KGLIPLIRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@@H]1CCC[C@H]1NCC1(C#N)CCCC1 ZINC000593654490 347922053 /nfs/dbraw/zinc/92/20/53/347922053.db2.gz DHMICURVLOCMIH-UONOGXRCSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@H]1CCC[C@H]1NCC1(C#N)CCCC1 ZINC000593654491 347922263 /nfs/dbraw/zinc/92/22/63/347922263.db2.gz DHMICURVLOCMIH-ZIAGYGMSSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)C[C@@H](C)CNCC1(C#N)CCCC1 ZINC000593654532 347921949 /nfs/dbraw/zinc/92/19/49/347921949.db2.gz FZURIVHRPANDNN-CYBMUJFWSA-N 0 3 222.376 3.342 20 30 BGEDHN CC(C)C[C@H](C)CNCC1(C#N)CCCC1 ZINC000593654533 347922140 /nfs/dbraw/zinc/92/21/40/347922140.db2.gz FZURIVHRPANDNN-ZDUSSCGKSA-N 0 3 222.376 3.342 20 30 BGEDHN N#CC1(CN[C@@H]2CCCC23CCC3)CCCC1 ZINC000593654598 347922154 /nfs/dbraw/zinc/92/21/54/347922154.db2.gz KAVUVBPNNIGASP-CYBMUJFWSA-N 0 3 232.371 3.383 20 30 BGEDHN N#CC1(CN[C@H]2CCCC23CCC3)CCCC1 ZINC000593654599 347922046 /nfs/dbraw/zinc/92/20/46/347922046.db2.gz KAVUVBPNNIGASP-ZDUSSCGKSA-N 0 3 232.371 3.383 20 30 BGEDHN C[C@@H]1CC(C)(C)C[C@H]1NCC1(C#N)CCCC1 ZINC000593654777 347922959 /nfs/dbraw/zinc/92/29/59/347922959.db2.gz OGOZRJVLRDBDLJ-CHWSQXEVSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC(C)(C)C[C@@H]1NCC1(C#N)CCCC1 ZINC000593654778 347922767 /nfs/dbraw/zinc/92/27/67/347922767.db2.gz OGOZRJVLRDBDLJ-OLZOCXBDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H]1CC(C)(C)C[C@H]1NCC1(C#N)CCCC1 ZINC000593654779 347922671 /nfs/dbraw/zinc/92/26/71/347922671.db2.gz OGOZRJVLRDBDLJ-QWHCGFSZSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H]1CC(C)(C)C[C@@H]1NCC1(C#N)CCCC1 ZINC000593654780 347922940 /nfs/dbraw/zinc/92/29/40/347922940.db2.gz OGOZRJVLRDBDLJ-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)C1CC(NCC2(C#N)CCCC2)C1 ZINC000593654817 347922849 /nfs/dbraw/zinc/92/28/49/347922849.db2.gz QEGIORCETJPHGQ-UHFFFAOYSA-N 0 3 220.360 3.095 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000593654952 347923001 /nfs/dbraw/zinc/92/30/01/347923001.db2.gz SBBAHZHOVBUGFG-KBPBESRZSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000593654953 347923011 /nfs/dbraw/zinc/92/30/11/347923011.db2.gz SBBAHZHOVBUGFG-KGLIPLIRSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000593654954 347922974 /nfs/dbraw/zinc/92/29/74/347922974.db2.gz SBBAHZHOVBUGFG-UONOGXRCSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000593654955 347922648 /nfs/dbraw/zinc/92/26/48/347922648.db2.gz SBBAHZHOVBUGFG-ZIAGYGMSSA-N 0 3 232.371 3.239 20 30 BGEDHN CC1=CC[C@@H](NCC2(C#N)CCCC2)CC1 ZINC000593655009 347922839 /nfs/dbraw/zinc/92/28/39/347922839.db2.gz UXLHUHOMHOOQMM-CYBMUJFWSA-N 0 3 218.344 3.159 20 30 BGEDHN CC1=CC[C@H](NCC2(C#N)CCCC2)CC1 ZINC000593655010 347922699 /nfs/dbraw/zinc/92/26/99/347922699.db2.gz UXLHUHOMHOOQMM-ZDUSSCGKSA-N 0 3 218.344 3.159 20 30 BGEDHN C[C@@H]1CC[C@H](C)[C@H](NCC2(C#N)CCCC2)C1 ZINC000593655038 347922772 /nfs/dbraw/zinc/92/27/72/347922772.db2.gz WCKYEGLCJMJRBU-HZSPNIEDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](C)[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593655039 347922628 /nfs/dbraw/zinc/92/26/28/347922628.db2.gz WCKYEGLCJMJRBU-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@@H](C)[C@H](NCC2(C#N)CCCC2)C1 ZINC000593655040 347922752 /nfs/dbraw/zinc/92/27/52/347922752.db2.gz WCKYEGLCJMJRBU-MGPQQGTHSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1CC[C@H](C)[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593655087 347922675 /nfs/dbraw/zinc/92/26/75/347922675.db2.gz WCKYEGLCJMJRBU-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN N#CC1(CNC2CCC3(CC3)CC2)CCCC1 ZINC000593655106 347922704 /nfs/dbraw/zinc/92/27/04/347922704.db2.gz WJMOTAKLUDJNSH-UHFFFAOYSA-N 0 3 232.371 3.383 20 30 BGEDHN CC1(C#N)CCC(NCC2(C#N)CCCC2)CC1 ZINC000593655151 347922900 /nfs/dbraw/zinc/92/29/00/347922900.db2.gz ZTGLZAJYTWBANR-UHFFFAOYSA-N 0 3 245.370 3.132 20 30 BGEDHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)o1 ZINC000593661314 347924015 /nfs/dbraw/zinc/92/40/15/347924015.db2.gz XSBOFHBHAMAMJI-GXFFZTMASA-N 0 3 232.327 3.066 20 30 BGEDHN N#Cc1ccc(CNC2(C3CCC3)CC2)s1 ZINC000593677178 347931608 /nfs/dbraw/zinc/93/16/08/347931608.db2.gz SYGOUSAPGSAMOO-UHFFFAOYSA-N 0 3 232.352 3.042 20 30 BGEDHN CCc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000593689859 347928348 /nfs/dbraw/zinc/92/83/48/347928348.db2.gz XRCJUHTVIDVUHO-GDBMZVCRSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000593689860 347928157 /nfs/dbraw/zinc/92/81/57/347928157.db2.gz XRCJUHTVIDVUHO-GOEBONIOSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000593689861 347928506 /nfs/dbraw/zinc/92/85/06/347928506.db2.gz XRCJUHTVIDVUHO-HOCLYGCPSA-N 0 3 242.366 3.421 20 30 BGEDHN CCc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000593689862 347928194 /nfs/dbraw/zinc/92/81/94/347928194.db2.gz XRCJUHTVIDVUHO-ZBFHGGJFSA-N 0 3 242.366 3.421 20 30 BGEDHN CCC(CC)CN(CC)Cc1ccc(C#N)cn1 ZINC000593945617 347976889 /nfs/dbraw/zinc/97/68/89/347976889.db2.gz ULSCSCOKSXOKCU-UHFFFAOYSA-N 0 3 245.370 3.211 20 30 BGEDHN CC(C)(CCN(CCC#N)CC1CC1)C1CC1 ZINC000593959825 347972253 /nfs/dbraw/zinc/97/22/53/347972253.db2.gz ISHZUOUDEPURMZ-UHFFFAOYSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(CCN1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000593978178 347986485 /nfs/dbraw/zinc/98/64/85/347986485.db2.gz ZTYWDJNPKRQSLV-HNNXBMFYSA-N 0 3 234.387 3.438 20 30 BGEDHN CC(C)(CCN1CCC[C@](C)(C#N)C1)C1CC1 ZINC000593978179 347986078 /nfs/dbraw/zinc/98/60/78/347986078.db2.gz ZTYWDJNPKRQSLV-OAHLLOKOSA-N 0 3 234.387 3.438 20 30 BGEDHN CN(CCC(C)(C)C1CC1)CC(C)(C)C#N ZINC000593993992 347981570 /nfs/dbraw/zinc/98/15/70/347981570.db2.gz TWFDZNWEIZEXPR-UHFFFAOYSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H]1CCc2ccccc2C1 ZINC000594006634 347984408 /nfs/dbraw/zinc/98/44/08/347984408.db2.gz JVLROIDRSUILRJ-BBRMVZONSA-N 0 3 242.366 3.073 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H]1CCc2ccccc2C1 ZINC000594006644 347984479 /nfs/dbraw/zinc/98/44/79/347984479.db2.gz JVLROIDRSUILRJ-CJNGLKHVSA-N 0 3 242.366 3.073 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCc2ccccc2C1 ZINC000594006645 347984364 /nfs/dbraw/zinc/98/43/64/347984364.db2.gz JVLROIDRSUILRJ-CZUORRHYSA-N 0 3 242.366 3.073 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCc2ccccc2C1 ZINC000594006646 347984295 /nfs/dbraw/zinc/98/42/95/347984295.db2.gz JVLROIDRSUILRJ-XJKSGUPXSA-N 0 3 242.366 3.073 20 30 BGEDHN CC[C@H](CC#N)NCCCSCC(C)C ZINC000594006817 347984134 /nfs/dbraw/zinc/98/41/34/347984134.db2.gz NMXQAIUWUHFDMZ-GFCCVEGCSA-N 0 3 228.405 3.048 20 30 BGEDHN CC[C@@H](CC#N)NCCCSCC(C)C ZINC000594006818 347984241 /nfs/dbraw/zinc/98/42/41/347984241.db2.gz NMXQAIUWUHFDMZ-LBPRGKRZSA-N 0 3 228.405 3.048 20 30 BGEDHN CC[C@@H](CC#N)NCCCc1ccccc1C ZINC000594008909 347984889 /nfs/dbraw/zinc/98/48/89/347984889.db2.gz KBXNXCXYSXDZNO-HNNXBMFYSA-N 0 3 230.355 3.210 20 30 BGEDHN CC[C@H](CC#N)NCCCc1ccccc1C ZINC000594008910 347985091 /nfs/dbraw/zinc/98/50/91/347985091.db2.gz KBXNXCXYSXDZNO-OAHLLOKOSA-N 0 3 230.355 3.210 20 30 BGEDHN CCCN(Cc1ccc(C#N)cc1OC)C(C)C ZINC000594023850 347991301 /nfs/dbraw/zinc/99/13/01/347991301.db2.gz 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20 30 BGEDHN C=C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594498420 348063413 /nfs/dbraw/zinc/06/34/13/348063413.db2.gz PIZWSNPJSYIJIU-GFCCVEGCSA-N 0 3 228.339 3.152 20 30 BGEDHN C=C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594498421 348063227 /nfs/dbraw/zinc/06/32/27/348063227.db2.gz PIZWSNPJSYIJIU-LBPRGKRZSA-N 0 3 228.339 3.152 20 30 BGEDHN Cc1cc2c(c(C)c1)[C@@H](NCCCC#N)CC2 ZINC000594499537 348063912 /nfs/dbraw/zinc/06/39/12/348063912.db2.gz FFOMKKJKIHKKPX-AWEZNQCLSA-N 0 3 228.339 3.184 20 30 BGEDHN Cc1cc2c(c(C)c1)[C@H](NCCCC#N)CC2 ZINC000594499538 348064029 /nfs/dbraw/zinc/06/40/29/348064029.db2.gz FFOMKKJKIHKKPX-CQSZACIVSA-N 0 3 228.339 3.184 20 30 BGEDHN C=C(C)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594506063 348065094 /nfs/dbraw/zinc/06/50/94/348065094.db2.gz KWJPEAMZJZVANN-UHFFFAOYSA-N 0 3 228.339 3.153 20 30 BGEDHN CCc1cc(N2Cc3ccc(C#N)cc3C2)ccn1 ZINC000594604717 348080332 /nfs/dbraw/zinc/08/03/32/348080332.db2.gz XQZBODLFFZCYGG-UHFFFAOYSA-N 0 3 249.317 3.036 20 30 BGEDHN CCC1CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594605896 348081638 /nfs/dbraw/zinc/08/16/38/348081638.db2.gz FTPKNCUFQZLNAB-UHFFFAOYSA-N 0 3 242.366 3.330 20 30 BGEDHN CCC(CC)CN1Cc2ccc(C#N)cc2C1 ZINC000594610297 348082447 /nfs/dbraw/zinc/08/24/47/348082447.db2.gz ASHHGACIHSMXCH-UHFFFAOYSA-N 0 3 228.339 3.310 20 30 BGEDHN N#Cc1ccc2c(c1)CN(C[C@@H]1CC=CCC1)C2 ZINC000594612198 348082966 /nfs/dbraw/zinc/08/29/66/348082966.db2.gz MIZSOXLALODWJZ-CYBMUJFWSA-N 0 3 238.334 3.230 20 30 BGEDHN N#Cc1ccc2c(c1)CN(C[C@H]1CC=CCC1)C2 ZINC000594612207 348082996 /nfs/dbraw/zinc/08/29/96/348082996.db2.gz MIZSOXLALODWJZ-ZDUSSCGKSA-N 0 3 238.334 3.230 20 30 BGEDHN C=CCCSCCN[C@H](C)c1ccncc1 ZINC000594708658 348103546 /nfs/dbraw/zinc/10/35/46/348103546.db2.gz BBJJYBHITZQVHG-GFCCVEGCSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1ccncc1 ZINC000594708659 348103540 /nfs/dbraw/zinc/10/35/40/348103540.db2.gz BBJJYBHITZQVHG-LBPRGKRZSA-N 0 3 236.384 3.042 20 30 BGEDHN C[C@H]1C[C@H](CNC[C@@H](C#N)CCC#N)C[C@@H](C)C1 ZINC000594714034 348104980 /nfs/dbraw/zinc/10/49/80/348104980.db2.gz WGJFBBZXPXDHTP-BARDWOONSA-N 0 3 247.386 3.092 20 30 BGEDHN C[C@H]1C[C@H](CNC[C@H](C#N)CCC#N)C[C@@H](C)C1 ZINC000594714036 348105050 /nfs/dbraw/zinc/10/50/50/348105050.db2.gz WGJFBBZXPXDHTP-LJISPDSOSA-N 0 3 247.386 3.092 20 30 BGEDHN C[C@H]1CC(CNC[C@H](C#N)CCC#N)C[C@H](C)C1 ZINC000594714037 348104935 /nfs/dbraw/zinc/10/49/35/348104935.db2.gz WGJFBBZXPXDHTP-MCIONIFRSA-N 0 3 247.386 3.092 20 30 BGEDHN C[C@H]1CC(CNC[C@@H](C#N)CCC#N)C[C@H](C)C1 ZINC000594714039 348105006 /nfs/dbraw/zinc/10/50/06/348105006.db2.gz WGJFBBZXPXDHTP-MGPQQGTHSA-N 0 3 247.386 3.092 20 30 BGEDHN C=CCCSCCN[C@H](C)c1cccnc1 ZINC000594714397 348105567 /nfs/dbraw/zinc/10/55/67/348105567.db2.gz ZNGRIOOZBUFOQK-GFCCVEGCSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1cccnc1 ZINC000594714398 348105719 /nfs/dbraw/zinc/10/57/19/348105719.db2.gz ZNGRIOOZBUFOQK-LBPRGKRZSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCC1(CNCCC#N)CCCC1 ZINC000594718813 348106819 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348150830 /nfs/dbraw/zinc/15/08/30/348150830.db2.gz SODLDFKSXFUJOL-UHFFFAOYSA-N 0 3 241.425 3.455 20 30 BGEDHN C=CCCSCCNCc1ccc(CC)o1 ZINC000594960558 348150797 /nfs/dbraw/zinc/15/07/97/348150797.db2.gz SVSNHAZKEPXDRB-UHFFFAOYSA-N 0 3 239.384 3.241 20 30 BGEDHN C=CCCSCCNCc1ccc(F)cc1 ZINC000594960605 348150981 /nfs/dbraw/zinc/15/09/81/348150981.db2.gz VSVICKWKHBXHNH-UHFFFAOYSA-N 0 3 239.359 3.225 20 30 BGEDHN CC/C=C\CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594962302 348151538 /nfs/dbraw/zinc/15/15/38/348151538.db2.gz ZJIFTBDIEMAXSA-ARJAWSKDSA-N 0 3 240.350 3.298 20 30 BGEDHN CC/C=C/CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594962303 348151657 /nfs/dbraw/zinc/15/16/57/348151657.db2.gz ZJIFTBDIEMAXSA-ONEGZZNKSA-N 0 3 240.350 3.298 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000594965157 348160681 /nfs/dbraw/zinc/16/06/81/348160681.db2.gz QTBYNMOSXFZRFI-DOMZBBRYSA-N 0 3 244.338 3.376 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000594965158 348160497 /nfs/dbraw/zinc/16/04/97/348160497.db2.gz QTBYNMOSXFZRFI-IUODEOHRSA-N 0 3 244.338 3.376 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000594965159 348160529 /nfs/dbraw/zinc/16/05/29/348160529.db2.gz QTBYNMOSXFZRFI-SWLSCSKDSA-N 0 3 244.338 3.376 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000594965160 348160493 /nfs/dbraw/zinc/16/04/93/348160493.db2.gz QTBYNMOSXFZRFI-WFASDCNBSA-N 0 3 244.338 3.376 20 30 BGEDHN CC[C@@H](C)CCNCc1ccc(C#N)cc1F ZINC000594966312 348160673 /nfs/dbraw/zinc/16/06/73/348160673.db2.gz FZQZQLUWLAHPOT-LLVKDONJSA-N 0 3 234.318 3.223 20 30 BGEDHN CC[C@H](C)CCNCc1ccc(C#N)cc1F ZINC000594966313 348160509 /nfs/dbraw/zinc/16/05/09/348160509.db2.gz FZQZQLUWLAHPOT-NSHDSACASA-N 0 3 234.318 3.223 20 30 BGEDHN C[C@H]1C[C@H](CNCc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594966401 348160664 /nfs/dbraw/zinc/16/06/64/348160664.db2.gz IFAKGYSJPWZIGL-ITGUQSILSA-N 0 3 246.354 3.313 20 30 BGEDHN C[C@@H]1CC(CNCc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594966405 348160684 /nfs/dbraw/zinc/16/06/84/348160684.db2.gz IFAKGYSJPWZIGL-RYUDHWBXSA-N 0 3 246.354 3.313 20 30 BGEDHN C[C@H]1CC(CNCc2ccc(C#N)o2)C[C@H](C)C1 ZINC000594966407 348160469 /nfs/dbraw/zinc/16/04/69/348160469.db2.gz IFAKGYSJPWZIGL-VXGBXAGGSA-N 0 3 246.354 3.313 20 30 BGEDHN CCC(C)(C)[C@@H](C)NCc1ccccc1C#N ZINC000594966843 348160636 /nfs/dbraw/zinc/16/06/36/348160636.db2.gz AYLNPWWCDSGLQT-GFCCVEGCSA-N 0 3 230.355 3.473 20 30 BGEDHN CCC(C)(C)[C@H](C)NCc1ccccc1C#N ZINC000594966845 348160575 /nfs/dbraw/zinc/16/05/75/348160575.db2.gz AYLNPWWCDSGLQT-LBPRGKRZSA-N 0 3 230.355 3.473 20 30 BGEDHN CCC(C)(C)[C@H](C)NCc1ccc(C#N)o1 ZINC000594966919 348161406 /nfs/dbraw/zinc/16/14/06/348161406.db2.gz DEGQUTYVPORYNL-JTQLQIEISA-N 0 3 220.316 3.066 20 30 BGEDHN CCC(C)(C)[C@@H](C)NCc1ccc(C#N)o1 ZINC000594966920 348161444 /nfs/dbraw/zinc/16/14/44/348161444.db2.gz DEGQUTYVPORYNL-SNVBAGLBSA-N 0 3 220.316 3.066 20 30 BGEDHN CC(C)=CCNC(C)(C)c1cccc(C#N)c1 ZINC000594966922 348161298 /nfs/dbraw/zinc/16/12/98/348161298.db2.gz DEYIUKPTDHGQHP-UHFFFAOYSA-N 0 3 228.339 3.349 20 30 BGEDHN N#Cc1ccc(CNCCCC2CCC2)c(F)c1 ZINC000594976374 348163696 /nfs/dbraw/zinc/16/36/96/348163696.db2.gz BPUFOQKSZCBCHK-UHFFFAOYSA-N 0 3 246.329 3.367 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000594980967 348163905 /nfs/dbraw/zinc/16/39/05/348163905.db2.gz DRDBCCDHCKVQFE-CHWSQXEVSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000594980982 348164117 /nfs/dbraw/zinc/16/41/17/348164117.db2.gz DRDBCCDHCKVQFE-OLZOCXBDSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000594980983 348164126 /nfs/dbraw/zinc/16/41/26/348164126.db2.gz DRDBCCDHCKVQFE-QWHCGFSZSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000594980985 348164266 /nfs/dbraw/zinc/16/42/66/348164266.db2.gz DRDBCCDHCKVQFE-STQMWFEESA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)(C)CNCC1(C#N)CCCCC1 ZINC000594981094 348163996 /nfs/dbraw/zinc/16/39/96/348163996.db2.gz GKMDEHGPXRTUHP-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN C[C@@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000594981110 348164048 /nfs/dbraw/zinc/16/40/48/348164048.db2.gz HADZERMFJRNDMX-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000594981111 348163960 /nfs/dbraw/zinc/16/39/60/348163960.db2.gz HADZERMFJRNDMX-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000594981112 348164243 /nfs/dbraw/zinc/16/42/43/348164243.db2.gz HADZERMFJRNDMX-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@@H]1NCC1(C#N)CCCCC1 ZINC000594981113 348164400 /nfs/dbraw/zinc/16/44/00/348164400.db2.gz HADZERMFJRNDMX-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN CC(C)(CCC#N)CNCC1(C#N)CCCCC1 ZINC000594981146 348164284 /nfs/dbraw/zinc/16/42/84/348164284.db2.gz HRLYIYJIFXFSDP-UHFFFAOYSA-N 0 3 247.386 3.380 20 30 BGEDHN CC1(CNCC2(C#N)CCCCC2)CCC1 ZINC000594981267 348163967 /nfs/dbraw/zinc/16/39/67/348163967.db2.gz MSSXXFDBUPTKSD-UHFFFAOYSA-N 0 3 220.360 3.240 20 30 BGEDHN CC[C@@H](C)CNCC1(C#N)CCCCC1 ZINC000594981339 348164089 /nfs/dbraw/zinc/16/40/89/348164089.db2.gz NNPBHOVXTZQHOK-GFCCVEGCSA-N 0 3 208.349 3.096 20 30 BGEDHN CC[C@H](C)CNCC1(C#N)CCCCC1 ZINC000594981341 348163931 /nfs/dbraw/zinc/16/39/31/348163931.db2.gz NNPBHOVXTZQHOK-LBPRGKRZSA-N 0 3 208.349 3.096 20 30 BGEDHN CCC[C@@H](C)CNCC1(C#N)CCCCC1 ZINC000594981712 348164376 /nfs/dbraw/zinc/16/43/76/348164376.db2.gz SWUUBWIWNYZSBS-CYBMUJFWSA-N 0 3 222.376 3.486 20 30 BGEDHN CCC[C@H](C)CNCC1(C#N)CCCCC1 ZINC000594981713 348164414 /nfs/dbraw/zinc/16/44/14/348164414.db2.gz SWUUBWIWNYZSBS-ZDUSSCGKSA-N 0 3 222.376 3.486 20 30 BGEDHN C[C@@H]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981763 348164333 /nfs/dbraw/zinc/16/43/33/348164333.db2.gz UZVXUPDPBORLCM-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981764 348164205 /nfs/dbraw/zinc/16/42/05/348164205.db2.gz UZVXUPDPBORLCM-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981765 348164037 /nfs/dbraw/zinc/16/40/37/348164037.db2.gz UZVXUPDPBORLCM-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981766 348164025 /nfs/dbraw/zinc/16/40/25/348164025.db2.gz UZVXUPDPBORLCM-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000594981774 348164056 /nfs/dbraw/zinc/16/40/56/348164056.db2.gz VKYSSLNMXSJARS-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000594981775 348164784 /nfs/dbraw/zinc/16/47/84/348164784.db2.gz VKYSSLNMXSJARS-FRRDWIJNSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000594981904 348164944 /nfs/dbraw/zinc/16/49/44/348164944.db2.gz VKYSSLNMXSJARS-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000594981905 348164741 /nfs/dbraw/zinc/16/47/41/348164741.db2.gz VKYSSLNMXSJARS-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)CCCNCC1(C#N)CCCCC1 ZINC000594981946 348164815 /nfs/dbraw/zinc/16/48/15/348164815.db2.gz WAKMGUDZYQNGLC-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN CC(C)C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000594982003 348165019 /nfs/dbraw/zinc/16/50/19/348165019.db2.gz WRUJJPBRLNNOLY-CYBMUJFWSA-N 0 3 222.376 3.485 20 30 BGEDHN CC(C)C[C@H](C)NCC1(C#N)CCCCC1 ZINC000594982004 348165063 /nfs/dbraw/zinc/16/50/63/348165063.db2.gz WRUJJPBRLNNOLY-ZDUSSCGKSA-N 0 3 222.376 3.485 20 30 BGEDHN C=CCC1(NCc2ccc(C#N)o2)CCCC1 ZINC000594987166 348166342 /nfs/dbraw/zinc/16/63/42/348166342.db2.gz IRUSHNLEFJTIST-UHFFFAOYSA-N 0 3 230.311 3.130 20 30 BGEDHN Cc1cc(CNCC2=CCCC2)ccc1C#N ZINC000594989962 348167065 /nfs/dbraw/zinc/16/70/65/348167065.db2.gz KUOULNUGBXUUEO-UHFFFAOYSA-N 0 3 226.323 3.067 20 30 BGEDHN N#CC1(CNC2CCCCC2)CCCCC1 ZINC000594993205 348167856 /nfs/dbraw/zinc/16/78/56/348167856.db2.gz AWENYBSPJUWEGF-UHFFFAOYSA-N 0 3 220.360 3.383 20 30 BGEDHN N#CC1(CNC[C@H]2CC=CCC2)CCCCC1 ZINC000594993651 348167851 /nfs/dbraw/zinc/16/78/51/348167851.db2.gz FGRREXPKGLQYRL-AWEZNQCLSA-N 0 3 232.371 3.406 20 30 BGEDHN N#CC1(CNC[C@@H]2CC=CCC2)CCCCC1 ZINC000594993652 348167839 /nfs/dbraw/zinc/16/78/39/348167839.db2.gz FGRREXPKGLQYRL-CQSZACIVSA-N 0 3 232.371 3.406 20 30 BGEDHN CCC(CC)CNCC1(C#N)CCCCC1 ZINC000594995966 348167792 /nfs/dbraw/zinc/16/77/92/348167792.db2.gz WKIRZHORDPMDLV-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN CC(C)CC1(NCc2ccc(C#N)cc2F)CC1 ZINC000595000830 348169492 /nfs/dbraw/zinc/16/94/92/348169492.db2.gz PNPCHEKKHJKCCV-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC(C)CC1(NCc2ccc(C#N)c(F)c2)CC1 ZINC000595001253 348169529 /nfs/dbraw/zinc/16/95/29/348169529.db2.gz SYPDMUVFMRMJMF-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC(C)CC1(NCc2ccc(C#N)s2)CC1 ZINC000595001488 348169340 /nfs/dbraw/zinc/16/93/40/348169340.db2.gz UZPRTKNPSTUGAB-UHFFFAOYSA-N 0 3 234.368 3.288 20 30 BGEDHN CC(C)CC1(NCc2ccccc2C#N)CC1 ZINC000595001495 348169345 /nfs/dbraw/zinc/16/93/45/348169345.db2.gz VEMOESUPHHBVBE-UHFFFAOYSA-N 0 3 228.339 3.227 20 30 BGEDHN CC(C)CC1(NCc2cc(C#N)cs2)CC1 ZINC000595001786 348169537 /nfs/dbraw/zinc/16/95/37/348169537.db2.gz YWKOVHGQWLVQLA-UHFFFAOYSA-N 0 3 234.368 3.288 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CCCC23CC3)c(F)c1 ZINC000595012124 348185119 /nfs/dbraw/zinc/18/51/19/348185119.db2.gz OENADYYGQBJJIU-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CCCC23CC3)c(F)c1 ZINC000595012126 348185395 /nfs/dbraw/zinc/18/53/95/348185395.db2.gz OENADYYGQBJJIU-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN C[C@H](NCCCC#N)c1cc2ccncc2s1 ZINC000595033089 348175135 /nfs/dbraw/zinc/17/51/35/348175135.db2.gz PPUJOXBWKOLVIC-JTQLQIEISA-N 0 3 245.351 3.251 20 30 BGEDHN C[C@@H](NCCCC#N)c1cc2ccncc2s1 ZINC000595033091 348175390 /nfs/dbraw/zinc/17/53/90/348175390.db2.gz PPUJOXBWKOLVIC-SNVBAGLBSA-N 0 3 245.351 3.251 20 30 BGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccoc1 ZINC000595055848 388376052 /nfs/dbraw/zinc/37/60/52/388376052.db2.gz KNUAAUSHGSIKIO-GFCCVEGCSA-N 0 3 240.306 3.045 20 30 BGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccoc1 ZINC000595055849 388376267 /nfs/dbraw/zinc/37/62/67/388376267.db2.gz KNUAAUSHGSIKIO-LBPRGKRZSA-N 0 3 240.306 3.045 20 30 BGEDHN C=CCCSCCN[C@H](C)c1ccccn1 ZINC000595057217 348183176 /nfs/dbraw/zinc/18/31/76/348183176.db2.gz BSLNYYCQYCEDRK-GFCCVEGCSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1ccccn1 ZINC000595057232 348182864 /nfs/dbraw/zinc/18/28/64/348182864.db2.gz BSLNYYCQYCEDRK-LBPRGKRZSA-N 0 3 236.384 3.042 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1cncs1 ZINC000595057763 348183082 /nfs/dbraw/zinc/18/30/82/348183082.db2.gz DTPHULQUGFBHKB-JTQLQIEISA-N 0 3 242.413 3.103 20 30 BGEDHN C=CCCSCCN[C@H](C)c1cncs1 ZINC000595057764 348182940 /nfs/dbraw/zinc/18/29/40/348182940.db2.gz DTPHULQUGFBHKB-SNVBAGLBSA-N 0 3 242.413 3.103 20 30 BGEDHN C=CCCSCCN[C@H](C)c1ccoc1 ZINC000595059851 348184664 /nfs/dbraw/zinc/18/46/64/348184664.db2.gz QFJNQOSLQBBSGA-LLVKDONJSA-N 0 3 225.357 3.240 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1ccoc1 ZINC000595059852 348184491 /nfs/dbraw/zinc/18/44/91/348184491.db2.gz QFJNQOSLQBBSGA-NSHDSACASA-N 0 3 225.357 3.240 20 30 BGEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595060261 348184545 /nfs/dbraw/zinc/18/45/45/348184545.db2.gz LPHVWHDFZAVTCN-GFCCVEGCSA-N 0 3 240.306 3.045 20 30 BGEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595060262 348184763 /nfs/dbraw/zinc/18/47/63/348184763.db2.gz LPHVWHDFZAVTCN-LBPRGKRZSA-N 0 3 240.306 3.045 20 30 BGEDHN C=CCCSCCN[C@H](C)c1ccco1 ZINC000595061252 348185422 /nfs/dbraw/zinc/18/54/22/348185422.db2.gz ZIFUJYMAPZPHTA-LLVKDONJSA-N 0 3 225.357 3.240 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1ccco1 ZINC000595061253 348185310 /nfs/dbraw/zinc/18/53/10/348185310.db2.gz ZIFUJYMAPZPHTA-NSHDSACASA-N 0 3 225.357 3.240 20 30 BGEDHN Cc1cc(C)cc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000595072739 348188716 /nfs/dbraw/zinc/18/87/16/348188716.db2.gz OZNLQIRYSFAUAN-GDBMZVCRSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1cc(C)cc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000595072740 348188681 /nfs/dbraw/zinc/18/86/81/348188681.db2.gz OZNLQIRYSFAUAN-GOEBONIOSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1cc(C)cc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000595072741 348188674 /nfs/dbraw/zinc/18/86/74/348188674.db2.gz OZNLQIRYSFAUAN-HOCLYGCPSA-N 0 3 242.366 3.475 20 30 BGEDHN Cc1cc(C)cc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000595072742 348188906 /nfs/dbraw/zinc/18/89/06/348188906.db2.gz OZNLQIRYSFAUAN-ZBFHGGJFSA-N 0 3 242.366 3.475 20 30 BGEDHN CC[C@@H]1CC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090085 348191139 /nfs/dbraw/zinc/19/11/39/348191139.db2.gz CIJMJNDZJAXRHY-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@@H]1CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090086 348190992 /nfs/dbraw/zinc/19/09/92/348190992.db2.gz CIJMJNDZJAXRHY-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H]1CC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090088 348191275 /nfs/dbraw/zinc/19/12/75/348191275.db2.gz CIJMJNDZJAXRHY-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H]1CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090090 348191182 /nfs/dbraw/zinc/19/11/82/348191182.db2.gz CIJMJNDZJAXRHY-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)C(C)(C)C ZINC000595090225 348191045 /nfs/dbraw/zinc/19/10/45/348191045.db2.gz GCCQFHAADIHVBC-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)C(C)(C)C ZINC000595090226 348191153 /nfs/dbraw/zinc/19/11/53/348191153.db2.gz GCCQFHAADIHVBC-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN C=CCC[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595090519 348191056 /nfs/dbraw/zinc/19/10/56/348191056.db2.gz GZSREIALMXDIGV-CYBMUJFWSA-N 0 3 220.360 3.405 20 30 BGEDHN C=CCC[C@H](C)NCC1(C#N)CCCCC1 ZINC000595090520 348191293 /nfs/dbraw/zinc/19/12/93/348191293.db2.gz GZSREIALMXDIGV-ZDUSSCGKSA-N 0 3 220.360 3.405 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCCCC1)C1CC1 ZINC000595090579 348190896 /nfs/dbraw/zinc/19/08/96/348190896.db2.gz IGYXLNLFVIXSPK-CYBMUJFWSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)C1CC1 ZINC000595090580 348190964 /nfs/dbraw/zinc/19/09/64/348190964.db2.gz IGYXLNLFVIXSPK-ZDUSSCGKSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CC(NCC2(C#N)CCCCC2)C1 ZINC000595090611 348191096 /nfs/dbraw/zinc/19/10/96/348191096.db2.gz IXJAQIPRFYZCOB-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN N#CC1(CNC(C2CC2)C2CC2)CCCCC1 ZINC000595090612 348190874 /nfs/dbraw/zinc/19/08/74/348190874.db2.gz IYUYBXGBIWKQSC-UHFFFAOYSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCCC23CC3)CCCCC1 ZINC000595091003 348191968 /nfs/dbraw/zinc/19/19/68/348191968.db2.gz QQEKXDCYNGZIIF-CYBMUJFWSA-N 0 3 232.371 3.383 20 30 BGEDHN N#CC1(CN[C@H]2CCCC23CC3)CCCCC1 ZINC000595091004 348191992 /nfs/dbraw/zinc/19/19/92/348191992.db2.gz QQEKXDCYNGZIIF-ZDUSSCGKSA-N 0 3 232.371 3.383 20 30 BGEDHN CCC[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595091049 348192084 /nfs/dbraw/zinc/19/20/84/348192084.db2.gz MLUCTFBMMISDBU-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN CCC[C@H](C)NCC1(C#N)CCCCC1 ZINC000595091050 348191669 /nfs/dbraw/zinc/19/16/69/348191669.db2.gz MLUCTFBMMISDBU-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN CC(C)C1CC(NCC2(C#N)CCCCC2)C1 ZINC000595091058 348192249 /nfs/dbraw/zinc/19/22/49/348192249.db2.gz MTJBGOJORZBEGS-UHFFFAOYSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)C1CCC1 ZINC000595091063 348191779 /nfs/dbraw/zinc/19/17/79/348191779.db2.gz MVXDONILXVPUCO-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)C1CCC1 ZINC000595091064 348192260 /nfs/dbraw/zinc/19/22/60/348192260.db2.gz MVXDONILXVPUCO-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CCC23CCC3)CCCCC1 ZINC000595091256 348191705 /nfs/dbraw/zinc/19/17/05/348191705.db2.gz OTTGSUCGQLQQEI-CYBMUJFWSA-N 0 3 232.371 3.383 20 30 BGEDHN N#CC1(CN[C@H]2CCC23CCC3)CCCCC1 ZINC000595091257 348191554 /nfs/dbraw/zinc/19/15/54/348191554.db2.gz OTTGSUCGQLQQEI-ZDUSSCGKSA-N 0 3 232.371 3.383 20 30 BGEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@H]1C ZINC000595091258 348192176 /nfs/dbraw/zinc/19/21/76/348192176.db2.gz OVBYNMGJQVQNFN-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@H]1C ZINC000595091259 348191853 /nfs/dbraw/zinc/19/18/53/348191853.db2.gz OVBYNMGJQVQNFN-FRRDWIJNSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@@H]1C ZINC000595091260 348191985 /nfs/dbraw/zinc/19/19/85/348191985.db2.gz OVBYNMGJQVQNFN-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@@H]1C ZINC000595091261 348191661 /nfs/dbraw/zinc/19/16/61/348191661.db2.gz OVBYNMGJQVQNFN-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000595092036 348191619 /nfs/dbraw/zinc/19/16/19/348191619.db2.gz VIJUTKQOFODKJT-BFHYXJOUSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000595092037 348191732 /nfs/dbraw/zinc/19/17/32/348191732.db2.gz VIJUTKQOFODKJT-MJBXVCDLSA-N 0 3 232.371 3.239 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@H]1C[C@@H]1C ZINC000595092060 348191766 /nfs/dbraw/zinc/19/17/66/348191766.db2.gz VUQWHEAUGAWZCV-IHRRRGAJSA-N 0 3 234.387 3.485 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000595092061 348191575 /nfs/dbraw/zinc/19/15/75/348191575.db2.gz VUQWHEAUGAWZCV-MCIONIFRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@@H]1C[C@@H]1C ZINC000595092062 348192206 /nfs/dbraw/zinc/19/22/06/348192206.db2.gz VUQWHEAUGAWZCV-MJBXVCDLSA-N 0 3 234.387 3.485 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000595092063 348191895 /nfs/dbraw/zinc/19/18/95/348191895.db2.gz VUQWHEAUGAWZCV-RDBSUJKOSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@H](CC1CC1)NCC1(C#N)CCCCC1 ZINC000595092073 348192694 /nfs/dbraw/zinc/19/26/94/348192694.db2.gz WBOCRJKZXDAFTN-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H](CC1CC1)NCC1(C#N)CCCCC1 ZINC000595092074 348193016 /nfs/dbraw/zinc/19/30/16/348193016.db2.gz WBOCRJKZXDAFTN-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CC[C@H]1NCC1(C#N)CCCCC1 ZINC000595092124 348192818 /nfs/dbraw/zinc/19/28/18/348192818.db2.gz XIFANVZCQLOKIX-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595092125 348192977 /nfs/dbraw/zinc/19/29/77/348192977.db2.gz XIFANVZCQLOKIX-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@@H](C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595096681 348193591 /nfs/dbraw/zinc/19/35/91/348193591.db2.gz FBQGKDOBBZYHTB-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595096682 348193738 /nfs/dbraw/zinc/19/37/38/348193738.db2.gz FBQGKDOBBZYHTB-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595096683 348193414 /nfs/dbraw/zinc/19/34/14/348193414.db2.gz FBQGKDOBBZYHTB-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595096684 348193880 /nfs/dbraw/zinc/19/38/80/348193880.db2.gz FBQGKDOBBZYHTB-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN N#Cc1ccc2c(c1)[C@@H](NCC1=CCCC1)CC2 ZINC000595097166 348194442 /nfs/dbraw/zinc/19/44/42/348194442.db2.gz RFNZDCSOJAPDDZ-INIZCTEOSA-N 0 3 238.334 3.245 20 30 BGEDHN N#Cc1ccc2c(c1)[C@H](NCC1=CCCC1)CC2 ZINC000595097167 348194388 /nfs/dbraw/zinc/19/43/88/348194388.db2.gz RFNZDCSOJAPDDZ-MRXNPFEDSA-N 0 3 238.334 3.245 20 30 BGEDHN C[C@@H](NCC1=CCCC1)c1ccc(C#N)c(F)c1 ZINC000595097205 348194193 /nfs/dbraw/zinc/19/41/93/348194193.db2.gz SPTSZTYVUULWKF-LLVKDONJSA-N 0 3 244.313 3.458 20 30 BGEDHN C[C@H](NCC1=CCCC1)c1ccc(C#N)c(F)c1 ZINC000595097206 348194200 /nfs/dbraw/zinc/19/42/00/348194200.db2.gz SPTSZTYVUULWKF-NSHDSACASA-N 0 3 244.313 3.458 20 30 BGEDHN CCC(CC)NCC1(C#N)CCCCC1 ZINC000595097465 348194396 /nfs/dbraw/zinc/19/43/96/348194396.db2.gz IQUUFQZCRSCECU-UHFFFAOYSA-N 0 3 208.349 3.239 20 30 BGEDHN CC(C)[C@@H](C)NCC1(C#N)CCCCC1 ZINC000595097478 348194382 /nfs/dbraw/zinc/19/43/82/348194382.db2.gz ITWMOIKVGQDFGJ-GFCCVEGCSA-N 0 3 208.349 3.095 20 30 BGEDHN CC(C)[C@H](C)NCC1(C#N)CCCCC1 ZINC000595097479 348194375 /nfs/dbraw/zinc/19/43/75/348194375.db2.gz ITWMOIKVGQDFGJ-LBPRGKRZSA-N 0 3 208.349 3.095 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCCCC1)C(C)C ZINC000595101593 348195172 /nfs/dbraw/zinc/19/51/72/348195172.db2.gz XGOSBIYPXCHPHQ-CYBMUJFWSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCCC1)C(C)C ZINC000595101595 348195084 /nfs/dbraw/zinc/19/50/84/348195084.db2.gz XGOSBIYPXCHPHQ-ZDUSSCGKSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC(F)F)CN(CC)C[C@H](C)C#N ZINC000595297468 348215956 /nfs/dbraw/zinc/21/59/56/348215956.db2.gz GNNLLISUJWSQAN-GHMZBOCLSA-N 0 3 232.318 3.149 20 30 BGEDHN CC[C@@H](CC(F)F)CN(CC)C[C@H](C)C#N ZINC000595297469 348215839 /nfs/dbraw/zinc/21/58/39/348215839.db2.gz GNNLLISUJWSQAN-MNOVXSKESA-N 0 3 232.318 3.149 20 30 BGEDHN CC[C@@H](CC(F)F)CN(CC)C[C@@H](C)C#N ZINC000595297470 348216307 /nfs/dbraw/zinc/21/63/07/348216307.db2.gz GNNLLISUJWSQAN-QWRGUYRKSA-N 0 3 232.318 3.149 20 30 BGEDHN CC[C@H](CC(F)F)CN(CC)C[C@@H](C)C#N ZINC000595297471 348215934 /nfs/dbraw/zinc/21/59/34/348215934.db2.gz GNNLLISUJWSQAN-WDEREUQCSA-N 0 3 232.318 3.149 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@H]1CCCCC1(C)C ZINC000595302970 348212349 /nfs/dbraw/zinc/21/23/49/348212349.db2.gz YMPRFIAWOSOUNL-CHWSQXEVSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@@H]1CCCCC1(C)C ZINC000595302971 348212457 /nfs/dbraw/zinc/21/24/57/348212457.db2.gz YMPRFIAWOSOUNL-OLZOCXBDSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@H]1CCCCC1(C)C ZINC000595302972 348212283 /nfs/dbraw/zinc/21/22/83/348212283.db2.gz YMPRFIAWOSOUNL-QWHCGFSZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@@H]1CCCCC1(C)C ZINC000595302973 348212278 /nfs/dbraw/zinc/21/22/78/348212278.db2.gz YMPRFIAWOSOUNL-STQMWFEESA-N 0 3 222.376 3.294 20 30 BGEDHN CCN(CCCC1CCC1)C[C@H](C)C#N ZINC000595304123 348221733 /nfs/dbraw/zinc/22/17/33/348221733.db2.gz NUCLMCAXADPJRN-GFCCVEGCSA-N 0 3 208.349 3.048 20 30 BGEDHN CCN(CCCC1CCC1)C[C@@H](C)C#N ZINC000595304124 348221359 /nfs/dbraw/zinc/22/13/59/348221359.db2.gz NUCLMCAXADPJRN-LBPRGKRZSA-N 0 3 208.349 3.048 20 30 BGEDHN CC(C)(C)CN(CCC#N)CC1CC=CC1 ZINC000595328403 348227430 /nfs/dbraw/zinc/22/74/30/348227430.db2.gz JNEXGIOJUACCQM-UHFFFAOYSA-N 0 3 220.360 3.214 20 30 BGEDHN CC(C)(C)CN(CCC#N)CCC1CCC1 ZINC000595329297 348227482 /nfs/dbraw/zinc/22/74/82/348227482.db2.gz PVJAURTUXUMSAK-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CC(C)(C)CN(CCC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595329555 348227474 /nfs/dbraw/zinc/22/74/74/348227474.db2.gz UOTWVXOFBLBYCW-BTTYYORXSA-N 0 3 234.387 3.294 20 30 BGEDHN CC[C@H](CC(F)F)CN(CCC#N)CC1CC1 ZINC000595331851 348228001 /nfs/dbraw/zinc/22/80/01/348228001.db2.gz FWOKLQUYMJCHIN-LLVKDONJSA-N 0 3 244.329 3.293 20 30 BGEDHN CC[C@@H](CC(F)F)CN(CCC#N)CC1CC1 ZINC000595331852 348228420 /nfs/dbraw/zinc/22/84/20/348228420.db2.gz FWOKLQUYMJCHIN-NSHDSACASA-N 0 3 244.329 3.293 20 30 BGEDHN N#CCCN(CC1CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595333245 348229132 /nfs/dbraw/zinc/22/91/32/348229132.db2.gz NYUQBFZJTPWHQW-KFWWJZLASA-N 0 3 232.371 3.048 20 30 BGEDHN N#CCCN(CC1CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595333246 348228821 /nfs/dbraw/zinc/22/88/21/348228821.db2.gz NYUQBFZJTPWHQW-QLFBSQMISA-N 0 3 232.371 3.048 20 30 BGEDHN N#CCCN(CCCC1CCC1)CC1CC1 ZINC000595333664 348229266 /nfs/dbraw/zinc/22/92/66/348229266.db2.gz OXDWEZBAXBFXJS-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN CC(C)CCN(CCC#N)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595343862 348234559 /nfs/dbraw/zinc/23/45/59/348234559.db2.gz GHKHPEWGHSMLDB-QDMKHBRRSA-N 0 3 234.387 3.294 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@H]1CCCCC1(C)C ZINC000595346552 348236292 /nfs/dbraw/zinc/23/62/92/348236292.db2.gz YKJOELUXWBFVRN-CHWSQXEVSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H]1CCCCC1(C)C ZINC000595346559 348236241 /nfs/dbraw/zinc/23/62/41/348236241.db2.gz YKJOELUXWBFVRN-OLZOCXBDSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@H]1CCCCC1(C)C ZINC000595346562 348236189 /nfs/dbraw/zinc/23/61/89/348236189.db2.gz YKJOELUXWBFVRN-QWHCGFSZSA-N 0 3 222.376 3.437 20 30 BGEDHN C[C@@H](CC#N)N(C)C[C@@H]1CCCCC1(C)C ZINC000595346564 348236203 /nfs/dbraw/zinc/23/62/03/348236203.db2.gz YKJOELUXWBFVRN-STQMWFEESA-N 0 3 222.376 3.437 20 30 BGEDHN CC(C)CCN(CCC#N)CCC1CCC1 ZINC000595346826 348236216 /nfs/dbraw/zinc/23/62/16/348236216.db2.gz MEBULYFPOWTWQT-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN CC(C)CCN(CCC#N)CC1CC=CC1 ZINC000595349123 348236855 /nfs/dbraw/zinc/23/68/55/348236855.db2.gz YRHXCMXVYYUHTP-UHFFFAOYSA-N 0 3 220.360 3.214 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595388648 348243131 /nfs/dbraw/zinc/24/31/31/348243131.db2.gz ISMDCKRHRDSAPC-SYQHCUMBSA-N 0 3 232.371 3.047 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595388649 348242966 /nfs/dbraw/zinc/24/29/66/348242966.db2.gz ISMDCKRHRDSAPC-YIYPIFLZSA-N 0 3 232.371 3.047 20 30 BGEDHN CC[C@H](CC(F)F)CN(C[C@H](C)C#N)C1CC1 ZINC000595390315 348243854 /nfs/dbraw/zinc/24/38/54/348243854.db2.gz VLPZNVMYFHTALP-GHMZBOCLSA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@@H](CC(F)F)CN(C[C@H](C)C#N)C1CC1 ZINC000595390316 348243686 /nfs/dbraw/zinc/24/36/86/348243686.db2.gz VLPZNVMYFHTALP-MNOVXSKESA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@@H](CC(F)F)CN(C[C@@H](C)C#N)C1CC1 ZINC000595390317 348243708 /nfs/dbraw/zinc/24/37/08/348243708.db2.gz VLPZNVMYFHTALP-QWRGUYRKSA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@H](CC(F)F)CN(C[C@@H](C)C#N)C1CC1 ZINC000595390318 348243800 /nfs/dbraw/zinc/24/38/00/348243800.db2.gz VLPZNVMYFHTALP-WDEREUQCSA-N 0 3 244.329 3.292 20 30 BGEDHN C[C@]1(C#N)CCCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000595423817 348246219 /nfs/dbraw/zinc/24/62/19/348246219.db2.gz HDDGVYDVPMFVPY-APIJFGDWSA-N 0 3 232.371 3.048 20 30 BGEDHN C[C@]1(C#N)CCCN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000595423821 348245921 /nfs/dbraw/zinc/24/59/21/348245921.db2.gz HDDGVYDVPMFVPY-LXTVHRRPSA-N 0 3 232.371 3.048 20 30 BGEDHN CC1(C#N)CCN(CCCC2CCC2)CC1 ZINC000595430034 348248535 /nfs/dbraw/zinc/24/85/35/348248535.db2.gz UUXDZQRXGZAMIY-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN CC[C@H](CC(F)F)CN1CCC(C)(C#N)CC1 ZINC000595431095 348249255 /nfs/dbraw/zinc/24/92/55/348249255.db2.gz XXJZBDSFWFKOSN-LLVKDONJSA-N 0 3 244.329 3.293 20 30 BGEDHN CC[C@@H](CC(F)F)CN1CCC(C)(C#N)CC1 ZINC000595431096 348249237 /nfs/dbraw/zinc/24/92/37/348249237.db2.gz XXJZBDSFWFKOSN-NSHDSACASA-N 0 3 244.329 3.293 20 30 BGEDHN CN(CCCC1CCC1)CC(C)(C)C#N ZINC000595500704 348263957 /nfs/dbraw/zinc/26/39/57/348263957.db2.gz KELCMJMHIRBQTD-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CC[C@@H](CC(F)F)CN(C)CC(C)(C)C#N ZINC000595502850 348264010 /nfs/dbraw/zinc/26/40/10/348264010.db2.gz WZJDFFQIABWTJU-JTQLQIEISA-N 0 3 232.318 3.149 20 30 BGEDHN CC[C@H](CC(F)F)CN(C)CC(C)(C)C#N ZINC000595502853 348264032 /nfs/dbraw/zinc/26/40/32/348264032.db2.gz WZJDFFQIABWTJU-SNVBAGLBSA-N 0 3 232.318 3.149 20 30 BGEDHN CC[C@@H](CC#N)NCC[C@H]1CCc2ccccc21 ZINC000595530036 348272591 /nfs/dbraw/zinc/27/25/91/348272591.db2.gz NKCRKUHCJGCYCY-CABCVRRESA-N 0 3 242.366 3.388 20 30 BGEDHN CC[C@@H](CC#N)NCC[C@@H]1CCc2ccccc21 ZINC000595530037 348272681 /nfs/dbraw/zinc/27/26/81/348272681.db2.gz NKCRKUHCJGCYCY-GJZGRUSLSA-N 0 3 242.366 3.388 20 30 BGEDHN CC[C@H](CC#N)NCC[C@H]1CCc2ccccc21 ZINC000595530038 348272632 /nfs/dbraw/zinc/27/26/32/348272632.db2.gz NKCRKUHCJGCYCY-HUUCEWRRSA-N 0 3 242.366 3.388 20 30 BGEDHN CC[C@H](CC#N)NCC[C@@H]1CCc2ccccc21 ZINC000595530039 348272666 /nfs/dbraw/zinc/27/26/66/348272666.db2.gz NKCRKUHCJGCYCY-LSDHHAIUSA-N 0 3 242.366 3.388 20 30 BGEDHN CC[C@H](CC#N)NC[C@H]1CCCCC1(C)C ZINC000595530241 348272571 /nfs/dbraw/zinc/27/25/71/348272571.db2.gz PYOQOSYCOVSXBU-CHWSQXEVSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H]1CCCCC1(C)C ZINC000595530242 348272672 /nfs/dbraw/zinc/27/26/72/348272672.db2.gz PYOQOSYCOVSXBU-OLZOCXBDSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H]1CCCCC1(C)C ZINC000595530243 348272651 /nfs/dbraw/zinc/27/26/51/348272651.db2.gz PYOQOSYCOVSXBU-QWHCGFSZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H]1CCCCC1(C)C ZINC000595530244 348272566 /nfs/dbraw/zinc/27/25/66/348272566.db2.gz PYOQOSYCOVSXBU-STQMWFEESA-N 0 3 222.376 3.485 20 30 BGEDHN Cc1cc(C#N)ccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000595565530 348282710 /nfs/dbraw/zinc/28/27/10/348282710.db2.gz AHIGMPBBAINLEZ-HOTGVXAUSA-N 0 3 240.350 3.241 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595565550 348282786 /nfs/dbraw/zinc/28/27/86/348282786.db2.gz ATKUJEMDLLRTSU-KCXAZCMYSA-N 0 3 240.350 3.494 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595565551 348282732 /nfs/dbraw/zinc/28/27/32/348282732.db2.gz ATKUJEMDLLRTSU-RCBQFDQVSA-N 0 3 240.350 3.494 20 30 BGEDHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000595565564 348282984 /nfs/dbraw/zinc/28/29/84/348282984.db2.gz BBNUUKSJIPGQIJ-HOTGVXAUSA-N 0 3 240.350 3.241 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595566122 348282742 /nfs/dbraw/zinc/28/27/42/348282742.db2.gz KJUOGVCKNAQDHG-KCXAZCMYSA-N 0 3 240.350 3.494 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595566123 348282930 /nfs/dbraw/zinc/28/29/30/348282930.db2.gz KJUOGVCKNAQDHG-RCBQFDQVSA-N 0 3 240.350 3.494 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1ccc(C#N)cc1OC ZINC000595598836 348294758 /nfs/dbraw/zinc/29/47/58/348294758.db2.gz HSLDWMDZOJIRTA-GFCCVEGCSA-N 0 3 246.354 3.187 20 30 BGEDHN CC[C@H](C)N(CC)Cc1ccc(C#N)cc1OC ZINC000595598837 348294972 /nfs/dbraw/zinc/29/49/72/348294972.db2.gz HSLDWMDZOJIRTA-LBPRGKRZSA-N 0 3 246.354 3.187 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000595602416 348286110 /nfs/dbraw/zinc/28/61/10/348286110.db2.gz ITPMLUXNGAPSHV-CHWSQXEVSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000595602427 348286085 /nfs/dbraw/zinc/28/60/85/348286085.db2.gz ITPMLUXNGAPSHV-OLZOCXBDSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCC1(C#N)CC1 ZINC000595602428 348286461 /nfs/dbraw/zinc/28/64/61/348286461.db2.gz ITPMLUXNGAPSHV-QWHCGFSZSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000595602429 348286356 /nfs/dbraw/zinc/28/63/56/348286356.db2.gz ITPMLUXNGAPSHV-STQMWFEESA-N 0 3 218.344 3.015 20 30 BGEDHN CC(C)(C#N)CCN1CCC(c2ccco2)CC1 ZINC000595614812 348288136 /nfs/dbraw/zinc/28/81/36/348288136.db2.gz IQLOGBRTRPRRDV-UHFFFAOYSA-N 0 3 246.354 3.399 20 30 BGEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)c(C)s1 ZINC000595616652 348289281 /nfs/dbraw/zinc/28/92/81/348289281.db2.gz VIJAFTPKEUOEKC-CYBMUJFWSA-N 0 3 248.395 3.491 20 30 BGEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)c(C)s1 ZINC000595616685 348289092 /nfs/dbraw/zinc/28/90/92/348289092.db2.gz VIJAFTPKEUOEKC-ZDUSSCGKSA-N 0 3 248.395 3.491 20 30 BGEDHN C[C@H](CCC#N)N1CCC(c2ccco2)CC1 ZINC000595617020 348290048 /nfs/dbraw/zinc/29/00/48/348290048.db2.gz UMTMADQENYBNBZ-GFCCVEGCSA-N 0 3 232.327 3.151 20 30 BGEDHN C[C@@H](CCC#N)N1CCC(c2ccco2)CC1 ZINC000595617021 348290065 /nfs/dbraw/zinc/29/00/65/348290065.db2.gz UMTMADQENYBNBZ-LBPRGKRZSA-N 0 3 232.327 3.151 20 30 BGEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccco3)CC2)C1 ZINC000595617983 348289766 /nfs/dbraw/zinc/28/97/66/348289766.db2.gz ZKCSUXTWMJCOJR-GXTWGEPZSA-N 0 3 244.338 3.151 20 30 BGEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccco3)CC2)C1 ZINC000595617984 348289963 /nfs/dbraw/zinc/28/99/63/348289963.db2.gz ZKCSUXTWMJCOJR-JSGCOSHPSA-N 0 3 244.338 3.151 20 30 BGEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccco3)CC2)C1 ZINC000595617985 348290031 /nfs/dbraw/zinc/29/00/31/348290031.db2.gz ZKCSUXTWMJCOJR-OCCSQVGLSA-N 0 3 244.338 3.151 20 30 BGEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccco3)CC2)C1 ZINC000595617986 348289833 /nfs/dbraw/zinc/28/98/33/348289833.db2.gz ZKCSUXTWMJCOJR-TZMCWYRMSA-N 0 3 244.338 3.151 20 30 BGEDHN N#CCCCCN1CCC(c2ccco2)CC1 ZINC000595618999 348290546 /nfs/dbraw/zinc/29/05/46/348290546.db2.gz YAINDMXOIPGOQB-UHFFFAOYSA-N 0 3 232.327 3.153 20 30 BGEDHN N#CC[C@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000595619506 348290584 /nfs/dbraw/zinc/29/05/84/348290584.db2.gz CDGWVECWWAAAOU-LLVKDONJSA-N 0 3 248.292 3.345 20 30 BGEDHN N#CC[C@@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000595619507 348290573 /nfs/dbraw/zinc/29/05/73/348290573.db2.gz CDGWVECWWAAAOU-NSHDSACASA-N 0 3 248.292 3.345 20 30 BGEDHN N#CC[C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000595621918 348291038 /nfs/dbraw/zinc/29/10/38/348291038.db2.gz ZRTYUSLSXYCLEA-NUEKZKHPSA-N 0 3 240.350 3.168 20 30 BGEDHN N#CC[C@@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC000595622608 348290956 /nfs/dbraw/zinc/29/09/56/348290956.db2.gz CAJMSHVCBZUWCE-BBRMVZONSA-N 0 3 240.350 3.300 20 30 BGEDHN N#CC[C@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC000595622619 348291230 /nfs/dbraw/zinc/29/12/30/348291230.db2.gz CAJMSHVCBZUWCE-CJNGLKHVSA-N 0 3 240.350 3.300 20 30 BGEDHN N#CC[C@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC000595622630 348291347 /nfs/dbraw/zinc/29/13/47/348291347.db2.gz CAJMSHVCBZUWCE-CZUORRHYSA-N 0 3 240.350 3.300 20 30 BGEDHN N#CC[C@@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC000595622640 348291161 /nfs/dbraw/zinc/29/11/61/348291161.db2.gz CAJMSHVCBZUWCE-XJKSGUPXSA-N 0 3 240.350 3.300 20 30 BGEDHN CCc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595623159 583150556 /nfs/dbraw/zinc/15/05/56/583150556.db2.gz JKQIGVDVQPUUMR-HNNXBMFYSA-N 0 3 242.366 3.375 20 30 BGEDHN CCc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595623160 583150726 /nfs/dbraw/zinc/15/07/26/583150726.db2.gz JKQIGVDVQPUUMR-OAHLLOKOSA-N 0 3 242.366 3.375 20 30 BGEDHN CCc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000595623457 397993672 /nfs/dbraw/zinc/99/36/72/397993672.db2.gz QFMMHMYWVUMOCN-AWEZNQCLSA-N 0 3 242.366 3.375 20 30 BGEDHN CCc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000595623458 397993335 /nfs/dbraw/zinc/99/33/35/397993335.db2.gz QFMMHMYWVUMOCN-CQSZACIVSA-N 0 3 242.366 3.375 20 30 BGEDHN N#CC[C@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000595623964 348291945 /nfs/dbraw/zinc/29/19/45/348291945.db2.gz ZRTYUSLSXYCLEA-FVQBIDKESA-N 0 3 240.350 3.168 20 30 BGEDHN CC(C)(NCC1=CCCC1)c1cccc(C#N)c1 ZINC000595633373 348286842 /nfs/dbraw/zinc/28/68/42/348286842.db2.gz QMAPWRXVCQOKRN-UHFFFAOYSA-N 0 3 240.350 3.493 20 30 BGEDHN CC(C)(N[C@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000595635430 348302907 /nfs/dbraw/zinc/30/29/07/348302907.db2.gz KQEKHKLJRWFMRI-HNNXBMFYSA-N 0 3 240.350 3.492 20 30 BGEDHN CC(C)(N[C@@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000595635432 348302673 /nfs/dbraw/zinc/30/26/73/348302673.db2.gz KQEKHKLJRWFMRI-OAHLLOKOSA-N 0 3 240.350 3.492 20 30 BGEDHN C=C(CC)CNC(C)(C)c1cccc(C#N)c1 ZINC000595639457 348303555 /nfs/dbraw/zinc/30/35/55/348303555.db2.gz ICZPJDVDTQRTPP-UHFFFAOYSA-N 0 3 228.339 3.349 20 30 BGEDHN N#CC1(CN2CCCC3(CCCC3)CC2)CC1 ZINC000595642764 348304845 /nfs/dbraw/zinc/30/48/45/348304845.db2.gz SYQYBKSWNQANJA-UHFFFAOYSA-N 0 3 232.371 3.336 20 30 BGEDHN Cc1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000595656869 348298121 /nfs/dbraw/zinc/29/81/21/348298121.db2.gz GRAZROAFVLFXLD-BBRMVZONSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656870 348297843 /nfs/dbraw/zinc/29/78/43/348297843.db2.gz GRAZROAFVLFXLD-CJNGLKHVSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656871 348297883 /nfs/dbraw/zinc/29/78/83/348297883.db2.gz GRAZROAFVLFXLD-CZUORRHYSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000595656872 348297967 /nfs/dbraw/zinc/29/79/67/348297967.db2.gz GRAZROAFVLFXLD-XJKSGUPXSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN([C@H](C)CCC#N)CC2 ZINC000595657176 348297958 /nfs/dbraw/zinc/29/79/58/348297958.db2.gz JZINYJULKHZGMN-CYBMUJFWSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN([C@@H](C)CCC#N)CC2 ZINC000595657177 348297668 /nfs/dbraw/zinc/29/76/68/348297668.db2.gz JZINYJULKHZGMN-ZDUSSCGKSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1ccc2c(c1)CN(CCC(C)(C)C#N)CC2 ZINC000595658836 348298940 /nfs/dbraw/zinc/29/89/40/348298940.db2.gz WXHCOBSYOBAKDO-UHFFFAOYSA-N 0 3 242.366 3.293 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000595660162 348299504 /nfs/dbraw/zinc/29/95/04/348299504.db2.gz RMAVOXBUKBCQFS-GFCCVEGCSA-N 0 3 246.379 3.408 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000595660163 348299585 /nfs/dbraw/zinc/29/95/85/348299585.db2.gz RMAVOXBUKBCQFS-LBPRGKRZSA-N 0 3 246.379 3.408 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000595661000 348300251 /nfs/dbraw/zinc/30/02/51/348300251.db2.gz VLOGJPFQQFOSSZ-AWEZNQCLSA-N 0 3 240.350 3.346 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000595661001 348300399 /nfs/dbraw/zinc/30/03/99/348300399.db2.gz VLOGJPFQQFOSSZ-CQSZACIVSA-N 0 3 240.350 3.346 20 30 BGEDHN C[C@H](NCCCC(C)(C)C#N)c1cscn1 ZINC000595668669 348302563 /nfs/dbraw/zinc/30/25/63/348302563.db2.gz OHMOYPRYZZKZBO-JTQLQIEISA-N 0 3 237.372 3.124 20 30 BGEDHN C[C@@H](NCCCC(C)(C)C#N)c1cscn1 ZINC000595668670 348302719 /nfs/dbraw/zinc/30/27/19/348302719.db2.gz OHMOYPRYZZKZBO-SNVBAGLBSA-N 0 3 237.372 3.124 20 30 BGEDHN CC(C)[C@H](NCCCC#N)c1ccccc1F ZINC000595686759 348312934 /nfs/dbraw/zinc/31/29/34/348312934.db2.gz BPAKKEAFCWMZHD-AWEZNQCLSA-N 0 3 234.318 3.416 20 30 BGEDHN CC(C)[C@@H](NCCCC#N)c1ccccc1F ZINC000595686760 348313405 /nfs/dbraw/zinc/31/34/05/348313405.db2.gz BPAKKEAFCWMZHD-CQSZACIVSA-N 0 3 234.318 3.416 20 30 BGEDHN N#CCCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000595706593 348319742 /nfs/dbraw/zinc/31/97/42/348319742.db2.gz ZDSCPVAZLLRYOA-AWEZNQCLSA-N 0 3 232.302 3.266 20 30 BGEDHN N#CCCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595706594 348319925 /nfs/dbraw/zinc/31/99/25/348319925.db2.gz ZDSCPVAZLLRYOA-CQSZACIVSA-N 0 3 232.302 3.266 20 30 BGEDHN N#CC1(CN2CC[C@H](C3CCCCC3)C2)CC1 ZINC000595732996 348317893 /nfs/dbraw/zinc/31/78/93/348317893.db2.gz HDUULPJAKJHPAU-AWEZNQCLSA-N 0 3 232.371 3.192 20 30 BGEDHN N#CC1(CN2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000595732997 348318253 /nfs/dbraw/zinc/31/82/53/348318253.db2.gz HDUULPJAKJHPAU-CQSZACIVSA-N 0 3 232.371 3.192 20 30 BGEDHN CC1(C)CCN(CCC#N)CC(C)(C)C1 ZINC000595749296 348340804 /nfs/dbraw/zinc/34/08/04/348340804.db2.gz JXNDFBKAEGDAKN-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC1(CC)CCCN(CC2(C#N)CC2)C1 ZINC000595752397 348341933 /nfs/dbraw/zinc/34/19/33/348341933.db2.gz LBDXXQIYLUCLOC-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN CC1(C)CCN(CC2(C#N)CC2)CC(C)(C)C1 ZINC000595752910 348342262 /nfs/dbraw/zinc/34/22/62/348342262.db2.gz ZAPSKECJSDRGQD-UHFFFAOYSA-N 0 3 234.387 3.438 20 30 BGEDHN N#Cc1cccc(CN2CCC[C@H](CCF)C2)c1 ZINC000595755352 348330110 /nfs/dbraw/zinc/33/01/10/348330110.db2.gz LWYOOYPHOWRJGO-CYBMUJFWSA-N 0 3 246.329 3.130 20 30 BGEDHN N#Cc1cccc(CN2CCC[C@@H](CCF)C2)c1 ZINC000595755353 348329963 /nfs/dbraw/zinc/32/99/63/348329963.db2.gz LWYOOYPHOWRJGO-ZDUSSCGKSA-N 0 3 246.329 3.130 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@@H](CCF)C2)cc1 ZINC000595757075 348331305 /nfs/dbraw/zinc/33/13/05/348331305.db2.gz YSIOLSZYSDXTRT-AWEZNQCLSA-N 0 3 246.329 3.130 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@H](CCF)C2)cc1 ZINC000595757076 348331063 /nfs/dbraw/zinc/33/10/63/348331063.db2.gz YSIOLSZYSDXTRT-CQSZACIVSA-N 0 3 246.329 3.130 20 30 BGEDHN C=CCN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000595763149 348333489 /nfs/dbraw/zinc/33/34/89/348333489.db2.gz IOCBVCWRLPOZFQ-UHFFFAOYSA-N 0 3 248.326 3.381 20 30 BGEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000595763579 348333369 /nfs/dbraw/zinc/33/33/69/348333369.db2.gz QXZXKCPKWIVMRD-UHFFFAOYSA-N 0 3 248.326 3.381 20 30 BGEDHN C=CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000595764250 348333677 /nfs/dbraw/zinc/33/36/77/348333677.db2.gz XRIRBZOCFCPGCW-UHFFFAOYSA-N 0 3 248.326 3.381 20 30 BGEDHN CC[C@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000595765149 348334074 /nfs/dbraw/zinc/33/40/74/348334074.db2.gz HNLXTPJHYILOBS-AWEZNQCLSA-N 0 3 248.757 3.490 20 30 BGEDHN CC[C@@H](NCc1ccc(Cl)cc1C#N)C1CC1 ZINC000595765151 348334043 /nfs/dbraw/zinc/33/40/43/348334043.db2.gz HNLXTPJHYILOBS-CQSZACIVSA-N 0 3 248.757 3.490 20 30 BGEDHN C=CCN(Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000595765554 348334079 /nfs/dbraw/zinc/33/40/79/348334079.db2.gz KQFIMGCCNGVYHX-UHFFFAOYSA-N 0 3 246.329 3.484 20 30 BGEDHN C=CCN(Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000595765773 348334345 /nfs/dbraw/zinc/33/43/45/348334345.db2.gz OAJFEVOUHOGSLS-UHFFFAOYSA-N 0 3 246.329 3.484 20 30 BGEDHN CC(C)CC1(NCc2cccc(C#N)c2F)CC1 ZINC000595829975 348364663 /nfs/dbraw/zinc/36/46/63/348364663.db2.gz BZACACWQKNMDBY-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC(C)CC1(NCc2cc(C#N)ccc2F)CC1 ZINC000595834254 348368038 /nfs/dbraw/zinc/36/80/38/348368038.db2.gz NFBQUDLABWOLBK-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CCC(C)(C)CCN1CC[C@](C)(C#N)C1 ZINC000595837491 348370941 /nfs/dbraw/zinc/37/09/41/348370941.db2.gz HWVGUTDSPJANCM-CYBMUJFWSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC(C)(C)CCN1CC[C@@](C)(C#N)C1 ZINC000595837492 348370855 /nfs/dbraw/zinc/37/08/55/348370855.db2.gz HWVGUTDSPJANCM-ZDUSSCGKSA-N 0 3 208.349 3.048 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC000595840825 348375393 /nfs/dbraw/zinc/37/53/93/348375393.db2.gz GDDSMPLZPSXKGH-IYBDPMFKSA-N 0 3 238.334 3.241 20 30 BGEDHN C[C@@H](CN1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595841127 348375291 /nfs/dbraw/zinc/37/52/91/348375291.db2.gz IFEFFFHGRVVDMS-DZGCQCFKSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@H](CN1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595841128 348375396 /nfs/dbraw/zinc/37/53/96/348375396.db2.gz IFEFFFHGRVVDMS-HIFRSBDPSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@H](CN1CC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595841129 348374966 /nfs/dbraw/zinc/37/49/66/348374966.db2.gz IFEFFFHGRVVDMS-UKRRQHHQSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H](CN1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595841130 348375166 /nfs/dbraw/zinc/37/51/66/348375166.db2.gz IFEFFFHGRVVDMS-ZFWWWQNUSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@H](CCc1ccccc1)N1CC[C@](C)(C#N)C1 ZINC000595841391 348376369 /nfs/dbraw/zinc/37/63/69/348376369.db2.gz VOPRHHRGMCAZPD-GDBMZVCRSA-N 0 3 242.366 3.243 20 30 BGEDHN C[C@@H](CCc1ccccc1)N1CC[C@](C)(C#N)C1 ZINC000595841393 348376068 /nfs/dbraw/zinc/37/60/68/348376068.db2.gz VOPRHHRGMCAZPD-GOEBONIOSA-N 0 3 242.366 3.243 20 30 BGEDHN C[C@@H](CCc1ccccc1)N1CC[C@@](C)(C#N)C1 ZINC000595841395 348375886 /nfs/dbraw/zinc/37/58/86/348375886.db2.gz VOPRHHRGMCAZPD-HOCLYGCPSA-N 0 3 242.366 3.243 20 30 BGEDHN C[C@H](CCc1ccccc1)N1CC[C@@](C)(C#N)C1 ZINC000595841397 348376421 /nfs/dbraw/zinc/37/64/21/348376421.db2.gz VOPRHHRGMCAZPD-ZBFHGGJFSA-N 0 3 242.366 3.243 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN1CC[C@](C)(C#N)C1 ZINC000595841526 348376445 /nfs/dbraw/zinc/37/64/45/348376445.db2.gz LRQZQWVHNSBHTP-HZSPNIEDSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN1CC[C@@](C)(C#N)C1 ZINC000595841527 348376408 /nfs/dbraw/zinc/37/64/08/348376408.db2.gz LRQZQWVHNSBHTP-MCIONIFRSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN1CC[C@](C)(C#N)C1 ZINC000595841528 348376396 /nfs/dbraw/zinc/37/63/96/348376396.db2.gz LRQZQWVHNSBHTP-MGPQQGTHSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN1CC[C@@](C)(C#N)C1 ZINC000595841530 348376307 /nfs/dbraw/zinc/37/63/07/348376307.db2.gz LRQZQWVHNSBHTP-RDBSUJKOSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@]1(C#N)CCN(CCC2CCCCC2)C1 ZINC000595841905 348377133 /nfs/dbraw/zinc/37/71/33/348377133.db2.gz WRUIBWNKEOESQD-AWEZNQCLSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@]1(C#N)CCN(CCC2CCCCC2)C1 ZINC000595841907 348377296 /nfs/dbraw/zinc/37/72/96/348377296.db2.gz WRUIBWNKEOESQD-CQSZACIVSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@@H]1CCC[C@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000595842779 348379280 /nfs/dbraw/zinc/37/92/80/348379280.db2.gz HFUGWMBMQOTSFQ-HZSPNIEDSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000595842780 348379158 /nfs/dbraw/zinc/37/91/58/348379158.db2.gz HFUGWMBMQOTSFQ-MCIONIFRSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000595842781 348378713 /nfs/dbraw/zinc/37/87/13/348378713.db2.gz HFUGWMBMQOTSFQ-MGPQQGTHSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H]1CCC[C@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000595842782 348379171 /nfs/dbraw/zinc/37/91/71/348379171.db2.gz HFUGWMBMQOTSFQ-RDBSUJKOSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)(CCN1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595843111 348379925 /nfs/dbraw/zinc/37/99/25/348379925.db2.gz ZFEVGNODUKRLAJ-AWEZNQCLSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)(CCN1CC[C@](C)(C#N)C1)C1CC1 ZINC000595843112 348380506 /nfs/dbraw/zinc/38/05/06/348380506.db2.gz ZFEVGNODUKRLAJ-CQSZACIVSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)(C)CCCN1CC[C@](C)(C#N)C1 ZINC000595844041 348380733 /nfs/dbraw/zinc/38/07/33/348380733.db2.gz PHKIBDDZEDJDCD-CYBMUJFWSA-N 0 3 208.349 3.048 20 30 BGEDHN CC(C)(C)CCCN1CC[C@@](C)(C#N)C1 ZINC000595844042 348381192 /nfs/dbraw/zinc/38/11/92/348381192.db2.gz PHKIBDDZEDJDCD-ZDUSSCGKSA-N 0 3 208.349 3.048 20 30 BGEDHN C[C@@]1(C#N)CCN(CC2CCCCCC2)C1 ZINC000595844508 348381821 /nfs/dbraw/zinc/38/18/21/348381821.db2.gz UIBBLDHGTVPQPA-AWEZNQCLSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@]1(C#N)CCN(CC2CCCCCC2)C1 ZINC000595844509 348382179 /nfs/dbraw/zinc/38/21/79/348382179.db2.gz UIBBLDHGTVPQPA-CQSZACIVSA-N 0 3 220.360 3.192 20 30 BGEDHN CCCC[C@H](CC)CN1CC[C@@](C)(C#N)C1 ZINC000595844845 348354166 /nfs/dbraw/zinc/35/41/66/348354166.db2.gz WHAGRBGLZPSVKM-KBPBESRZSA-N 0 3 222.376 3.438 20 30 BGEDHN CCCC[C@@H](CC)CN1CC[C@@](C)(C#N)C1 ZINC000595844847 348354394 /nfs/dbraw/zinc/35/43/94/348354394.db2.gz WHAGRBGLZPSVKM-KGLIPLIRSA-N 0 3 222.376 3.438 20 30 BGEDHN CCCC[C@H](CC)CN1CC[C@](C)(C#N)C1 ZINC000595844848 348354279 /nfs/dbraw/zinc/35/42/79/348354279.db2.gz WHAGRBGLZPSVKM-UONOGXRCSA-N 0 3 222.376 3.438 20 30 BGEDHN CCCC[C@@H](CC)CN1CC[C@](C)(C#N)C1 ZINC000595844850 348353800 /nfs/dbraw/zinc/35/38/00/348353800.db2.gz WHAGRBGLZPSVKM-ZIAGYGMSSA-N 0 3 222.376 3.438 20 30 BGEDHN CC1CCC(CN2CC[C@](C)(C#N)C2)CC1 ZINC000595845017 348354421 /nfs/dbraw/zinc/35/44/21/348354421.db2.gz XNUWQSKZGKUVTI-JXQTWKCFSA-N 0 3 220.360 3.048 20 30 BGEDHN CC1CCC(CN2CC[C@@](C)(C#N)C2)CC1 ZINC000595845019 348354321 /nfs/dbraw/zinc/35/43/21/348354321.db2.gz XNUWQSKZGKUVTI-RUXDESIVSA-N 0 3 220.360 3.048 20 30 BGEDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC000595858654 348358615 /nfs/dbraw/zinc/35/86/15/348358615.db2.gz YKWYVUBFDCTYEA-SFESLNEESA-N 0 3 240.350 3.321 20 30 BGEDHN CC[C@@H]1CCC[C@H](C)N1Cc1ccnc(C#N)c1 ZINC000595866532 348384749 /nfs/dbraw/zinc/38/47/49/348384749.db2.gz IOCGTDRMOHKWMG-SWLSCSKDSA-N 0 3 243.354 3.106 20 30 BGEDHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)cn1 ZINC000595868445 348385783 /nfs/dbraw/zinc/38/57/83/348385783.db2.gz WMPTVUSJUGFNQH-SWLSCSKDSA-N 0 3 243.354 3.106 20 30 BGEDHN N#CC1(CN2CCCC[C@H]2CC2CCC2)CC1 ZINC000595873265 348387010 /nfs/dbraw/zinc/38/70/10/348387010.db2.gz ZKJJZXJZRJJCGW-AWEZNQCLSA-N 0 3 232.371 3.335 20 30 BGEDHN N#CC1(CN2CCCC[C@@H]2CC2CCC2)CC1 ZINC000595873266 348387122 /nfs/dbraw/zinc/38/71/22/348387122.db2.gz ZKJJZXJZRJJCGW-CQSZACIVSA-N 0 3 232.371 3.335 20 30 BGEDHN CC1(C)C[C@]1(NCCCC#N)c1ccccc1 ZINC000595908285 348397122 /nfs/dbraw/zinc/39/71/22/348397122.db2.gz GLYMFJUJUYIWRR-HNNXBMFYSA-N 0 3 228.339 3.205 20 30 BGEDHN CC1(C)C[C@@]1(NCCCC#N)c1ccccc1 ZINC000595908286 348397182 /nfs/dbraw/zinc/39/71/82/348397182.db2.gz GLYMFJUJUYIWRR-OAHLLOKOSA-N 0 3 228.339 3.205 20 30 BGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CC1(C)C ZINC000595908653 348398005 /nfs/dbraw/zinc/39/80/05/348398005.db2.gz JJTXLUGZXAWTIF-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CC1(C)C ZINC000595908655 348397952 /nfs/dbraw/zinc/39/79/52/348397952.db2.gz JJTXLUGZXAWTIF-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CC1(C)C ZINC000595911023 348398825 /nfs/dbraw/zinc/39/88/25/348398825.db2.gz WODYWCOHZWRVQA-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CC1(C)C ZINC000595911024 348398864 /nfs/dbraw/zinc/39/88/64/348398864.db2.gz WODYWCOHZWRVQA-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1ccccc1C#N)C[C@@H]1CC1(C)C ZINC000595911499 348398723 /nfs/dbraw/zinc/39/87/23/348398723.db2.gz XLCBHSDRJMAIHL-AWEZNQCLSA-N 0 3 228.339 3.036 20 30 BGEDHN CN(Cc1ccccc1C#N)C[C@H]1CC1(C)C ZINC000595911500 348398713 /nfs/dbraw/zinc/39/87/13/348398713.db2.gz XLCBHSDRJMAIHL-CQSZACIVSA-N 0 3 228.339 3.036 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CC1(C)C ZINC000595911813 348399084 /nfs/dbraw/zinc/39/90/84/348399084.db2.gz YXOVVAQUIBYAHW-JTQLQIEISA-N 0 3 234.368 3.098 20 30 BGEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CC1(C)C ZINC000595911814 348398676 /nfs/dbraw/zinc/39/86/76/348398676.db2.gz YXOVVAQUIBYAHW-SNVBAGLBSA-N 0 3 234.368 3.098 20 30 BGEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CC1(C)C ZINC000595913411 348399507 /nfs/dbraw/zinc/39/95/07/348399507.db2.gz TWMDOZMIQSGYHV-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CC1(C)C ZINC000595913412 348399734 /nfs/dbraw/zinc/39/97/34/348399734.db2.gz TWMDOZMIQSGYHV-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C[C@H]1CC1(C)C ZINC000595914299 348399772 /nfs/dbraw/zinc/39/97/72/348399772.db2.gz XCPGLSXVAYZPJV-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CC1(C)C ZINC000595914300 348399804 /nfs/dbraw/zinc/39/98/04/348399804.db2.gz XCPGLSXVAYZPJV-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CC1(C)C ZINC000595915279 348399780 /nfs/dbraw/zinc/39/97/80/348399780.db2.gz YUOHLWHMRMASNN-CYBMUJFWSA-N 0 3 246.329 3.175 20 30 BGEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CC1(C)C ZINC000595915280 348399864 /nfs/dbraw/zinc/39/98/64/348399864.db2.gz YUOHLWHMRMASNN-ZDUSSCGKSA-N 0 3 246.329 3.175 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CC2CC1(C)C2 ZINC000595918532 348400983 /nfs/dbraw/zinc/40/09/83/348400983.db2.gz FGIMFGQOQARJLJ-NUYPLMSZSA-N 0 3 226.323 3.104 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CC2CC1(C)C2 ZINC000595918533 348401071 /nfs/dbraw/zinc/40/10/71/348401071.db2.gz FGIMFGQOQARJLJ-ZOODHJKOSA-N 0 3 226.323 3.104 20 30 BGEDHN C[C@@H](CNC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000596046557 348428879 /nfs/dbraw/zinc/42/88/79/348428879.db2.gz KVJZMANMTCSMKR-KBPBESRZSA-N 0 3 247.386 3.236 20 30 BGEDHN C[C@H](CNC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000596046575 348428703 /nfs/dbraw/zinc/42/87/03/348428703.db2.gz KVJZMANMTCSMKR-KGLIPLIRSA-N 0 3 247.386 3.236 20 30 BGEDHN C[C@@H](CNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000596046578 348428932 /nfs/dbraw/zinc/42/89/32/348428932.db2.gz KVJZMANMTCSMKR-UONOGXRCSA-N 0 3 247.386 3.236 20 30 BGEDHN C[C@H](CNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000596046580 348428755 /nfs/dbraw/zinc/42/87/55/348428755.db2.gz KVJZMANMTCSMKR-ZIAGYGMSSA-N 0 3 247.386 3.236 20 30 BGEDHN CC(C)c1cccc(CNCCCC#N)c1 ZINC000596050899 348432559 /nfs/dbraw/zinc/43/25/59/348432559.db2.gz RSFDEBGOQWYJGS-UHFFFAOYSA-N 0 3 216.328 3.203 20 30 BGEDHN Cc1cc(OCC2(CC#N)CC2)c(C)c(C)n1 ZINC000596285778 348488321 /nfs/dbraw/zinc/48/83/21/348488321.db2.gz PIJLLVYIVMETBD-UHFFFAOYSA-N 0 3 230.311 3.080 20 30 BGEDHN N#CC1(c2ccc(CN3CC=CCC3)cc2)CC1 ZINC000597075715 348652457 /nfs/dbraw/zinc/65/24/57/348652457.db2.gz KOPZYSNKEQVWFX-UHFFFAOYSA-N 0 3 238.334 3.004 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597076263 348652940 /nfs/dbraw/zinc/65/29/40/348652940.db2.gz MRVNNKRKCKZBSD-UHFFFAOYSA-N 0 3 240.350 3.250 20 30 BGEDHN C[C@H](C#N)CNC1CCC(C2CCC2)CC1 ZINC000597082979 348659631 /nfs/dbraw/zinc/65/96/31/348659631.db2.gz OSVQTIOXBRXYSD-LMWSTFAQSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@H](C#N)CNC1CCC(C2CCC2)CC1 ZINC000597082985 348659193 /nfs/dbraw/zinc/65/91/93/348659193.db2.gz OSVQTIOXBRXYSD-XGNXJENSSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C#N)CNC1CCC(C2CCC2)CC1 ZINC000597083785 348659448 /nfs/dbraw/zinc/65/94/48/348659448.db2.gz UCXSQLUNVAAQQS-UHFFFAOYSA-N 0 3 234.387 3.485 20 30 BGEDHN C[C@@H]1C[C@H](C)N1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597115077 348662403 /nfs/dbraw/zinc/66/24/03/348662403.db2.gz GHIPMOCAWCVCKS-BETUJISGSA-N 0 3 240.350 3.224 20 30 BGEDHN C[C@@H]1C[C@@H](C)N1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597115078 348662534 /nfs/dbraw/zinc/66/25/34/348662534.db2.gz GHIPMOCAWCVCKS-CHWSQXEVSA-N 0 3 240.350 3.224 20 30 BGEDHN C[C@H]1C[C@H](C)N1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597115079 348662350 /nfs/dbraw/zinc/66/23/50/348662350.db2.gz GHIPMOCAWCVCKS-STQMWFEESA-N 0 3 240.350 3.224 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCC2(C#N)CC2)CC1 ZINC000597120545 348663593 /nfs/dbraw/zinc/66/35/93/348663593.db2.gz GSSFQIMIYXIWLX-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCC2(C#N)CC2)CC1 ZINC000597120547 348663847 /nfs/dbraw/zinc/66/38/47/348663847.db2.gz GSSFQIMIYXIWLX-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCC2(C#N)CC2)CC1 ZINC000597120548 348663571 /nfs/dbraw/zinc/66/35/71/348663571.db2.gz GSSFQIMIYXIWLX-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H]1CCC[C@H](NCC2(C#N)CC2)CC1 ZINC000597120549 348663760 /nfs/dbraw/zinc/66/37/60/348663760.db2.gz GSSFQIMIYXIWLX-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN N#CC1(CNC2CCC(C3CCC3)CC2)CC1 ZINC000597120748 348663840 /nfs/dbraw/zinc/66/38/40/348663840.db2.gz JFEPADWJDRAGRD-UHFFFAOYSA-N 0 3 232.371 3.239 20 30 BGEDHN CC1(C)CCC[C@@H](NCC2(C#N)CC2)CC1 ZINC000597121051 348663757 /nfs/dbraw/zinc/66/37/57/348663757.db2.gz KYNBYBFSAMMCKL-GFCCVEGCSA-N 0 3 220.360 3.239 20 30 BGEDHN CC1(C)CCC[C@H](NCC2(C#N)CC2)CC1 ZINC000597121052 348663893 /nfs/dbraw/zinc/66/38/93/348663893.db2.gz KYNBYBFSAMMCKL-LBPRGKRZSA-N 0 3 220.360 3.239 20 30 BGEDHN CC[C@H]1CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129413 348659828 /nfs/dbraw/zinc/65/98/28/348659828.db2.gz JRXIWJNRRXLTSM-HNNXBMFYSA-N 0 3 240.350 3.226 20 30 BGEDHN CC[C@@H]1CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129414 348659894 /nfs/dbraw/zinc/65/98/94/348659894.db2.gz JRXIWJNRRXLTSM-OAHLLOKOSA-N 0 3 240.350 3.226 20 30 BGEDHN CCC1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597146642 348664438 /nfs/dbraw/zinc/66/44/38/348664438.db2.gz NNOLNNCPYPCPQJ-UHFFFAOYSA-N 0 3 240.350 3.084 20 30 BGEDHN Cc1cccc(CN2CCC[C@@H](CC#N)C2)c1C ZINC000597172503 348668899 /nfs/dbraw/zinc/66/88/99/348668899.db2.gz BHEYRKLWTJMQAY-HNNXBMFYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1cccc(CN2CCC[C@H](CC#N)C2)c1C ZINC000597172504 348668917 /nfs/dbraw/zinc/66/89/17/348668917.db2.gz BHEYRKLWTJMQAY-OAHLLOKOSA-N 0 3 242.366 3.429 20 30 BGEDHN C[C@H](Cc1ccsc1)N1CCC[C@H](CC#N)C1 ZINC000597175334 348669549 /nfs/dbraw/zinc/66/95/49/348669549.db2.gz AWABAQHWSVLPEF-CHWSQXEVSA-N 0 3 248.395 3.305 20 30 BGEDHN C[C@H](Cc1ccsc1)N1CCC[C@@H](CC#N)C1 ZINC000597175357 348669536 /nfs/dbraw/zinc/66/95/36/348669536.db2.gz AWABAQHWSVLPEF-OLZOCXBDSA-N 0 3 248.395 3.305 20 30 BGEDHN C[C@@H](Cc1ccsc1)N1CCC[C@H](CC#N)C1 ZINC000597175359 348669565 /nfs/dbraw/zinc/66/95/65/348669565.db2.gz AWABAQHWSVLPEF-QWHCGFSZSA-N 0 3 248.395 3.305 20 30 BGEDHN C[C@@H](Cc1ccsc1)N1CCC[C@@H](CC#N)C1 ZINC000597175361 348669496 /nfs/dbraw/zinc/66/94/96/348669496.db2.gz AWABAQHWSVLPEF-STQMWFEESA-N 0 3 248.395 3.305 20 30 BGEDHN Cc1sccc1CN1CCC[C@H](CC#N)C1 ZINC000597177559 348670020 /nfs/dbraw/zinc/67/00/20/348670020.db2.gz PFMHBRHZJXEWDQ-GFCCVEGCSA-N 0 3 234.368 3.182 20 30 BGEDHN Cc1sccc1CN1CCC[C@@H](CC#N)C1 ZINC000597177560 348670129 /nfs/dbraw/zinc/67/01/29/348670129.db2.gz PFMHBRHZJXEWDQ-LBPRGKRZSA-N 0 3 234.368 3.182 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000597188299 348685212 /nfs/dbraw/zinc/68/52/12/348685212.db2.gz UEFSBQQTGQIVHQ-GFCCVEGCSA-N 0 3 246.379 3.408 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000597188300 348685343 /nfs/dbraw/zinc/68/53/43/348685343.db2.gz UEFSBQQTGQIVHQ-LBPRGKRZSA-N 0 3 246.379 3.408 20 30 BGEDHN CC1(C)CCC[C@@H](CN2CC(CC#N)C2)C1 ZINC000597193639 348671660 /nfs/dbraw/zinc/67/16/60/348671660.db2.gz JSTYFMDETIRMIR-GFCCVEGCSA-N 0 3 220.360 3.048 20 30 BGEDHN CC1(C)CCC[C@H](CN2CC(CC#N)C2)C1 ZINC000597193640 348671563 /nfs/dbraw/zinc/67/15/63/348671563.db2.gz JSTYFMDETIRMIR-LBPRGKRZSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597194415 398011470 /nfs/dbraw/zinc/01/14/70/398011470.db2.gz SQXGJDIQYHWFTO-AWEZNQCLSA-N 0 3 228.339 3.026 20 30 BGEDHN CC[C@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597194417 398011562 /nfs/dbraw/zinc/01/15/62/398011562.db2.gz SQXGJDIQYHWFTO-CQSZACIVSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@H](CCN1CC(CC#N)C1)c1ccccc1 ZINC000597202895 348676935 /nfs/dbraw/zinc/67/69/35/348676935.db2.gz DYRZAFMSSIBQMK-CYBMUJFWSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@@H](CCN1CC(CC#N)C1)c1ccccc1 ZINC000597202896 348677026 /nfs/dbraw/zinc/67/70/26/348677026.db2.gz DYRZAFMSSIBQMK-ZDUSSCGKSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@H](CC1CCCCC1)CN1CC(CC#N)C1 ZINC000597203109 348677220 /nfs/dbraw/zinc/67/72/20/348677220.db2.gz FJRXVPSSZFUONP-CYBMUJFWSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H](CC1CCCCC1)CN1CC(CC#N)C1 ZINC000597203110 348676826 /nfs/dbraw/zinc/67/68/26/348676826.db2.gz FJRXVPSSZFUONP-ZDUSSCGKSA-N 0 3 234.387 3.438 20 30 BGEDHN N#CCC1CN(CCC2CCCCCC2)C1 ZINC000597203115 348677050 /nfs/dbraw/zinc/67/70/50/348677050.db2.gz FPCSQKRNSWTSEF-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN CC(C)[C@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597203182 348676850 /nfs/dbraw/zinc/67/68/50/348676850.db2.gz HMSCCGYYKIEALJ-INIZCTEOSA-N 0 3 242.366 3.272 20 30 BGEDHN CC(C)[C@@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597203184 348677170 /nfs/dbraw/zinc/67/71/70/348677170.db2.gz HMSCCGYYKIEALJ-MRXNPFEDSA-N 0 3 242.366 3.272 20 30 BGEDHN CC(C)C1CCC(CN2CC(CC#N)C2)CC1 ZINC000597203535 348677133 /nfs/dbraw/zinc/67/71/33/348677133.db2.gz JZKAJXRWMVRYSA-UHFFFAOYSA-N 0 3 234.387 3.294 20 30 BGEDHN CC[C@@H]1CCC[C@@H](CN2CC(CC#N)C2)C1 ZINC000597203553 348676780 /nfs/dbraw/zinc/67/67/80/348676780.db2.gz KORYRMIXVCVLGK-CHWSQXEVSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@@H]1CCC[C@H](CN2CC(CC#N)C2)C1 ZINC000597203554 348677096 /nfs/dbraw/zinc/67/70/96/348677096.db2.gz KORYRMIXVCVLGK-OLZOCXBDSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@H]1CCC[C@@H](CN2CC(CC#N)C2)C1 ZINC000597203555 348676873 /nfs/dbraw/zinc/67/68/73/348676873.db2.gz KORYRMIXVCVLGK-QWHCGFSZSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@H]1CCC[C@H](CN2CC(CC#N)C2)C1 ZINC000597203556 348677195 /nfs/dbraw/zinc/67/71/95/348677195.db2.gz KORYRMIXVCVLGK-STQMWFEESA-N 0 3 220.360 3.048 20 30 BGEDHN CC1(C)CCC(CN2CC(CC#N)C2)CC1 ZINC000597203587 348677254 /nfs/dbraw/zinc/67/72/54/348677254.db2.gz LOVDTJHEHAVNIQ-UHFFFAOYSA-N 0 3 220.360 3.048 20 30 BGEDHN CCC[C@@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597203590 348677696 /nfs/dbraw/zinc/67/76/96/348677696.db2.gz LRSMAQVHWYBSQU-INIZCTEOSA-N 0 3 242.366 3.416 20 30 BGEDHN CCC[C@H](CN1CC(CC#N)C1)c1ccccc1 ZINC000597203591 348677543 /nfs/dbraw/zinc/67/75/43/348677543.db2.gz LRSMAQVHWYBSQU-MRXNPFEDSA-N 0 3 242.366 3.416 20 30 BGEDHN C[C@@H](CCc1ccccc1)CN1CC(CC#N)C1 ZINC000597203597 348677525 /nfs/dbraw/zinc/67/75/25/348677525.db2.gz MAPAWAKDHFBHAK-AWEZNQCLSA-N 0 3 242.366 3.101 20 30 BGEDHN C[C@H](CCc1ccccc1)CN1CC(CC#N)C1 ZINC000597203598 348677909 /nfs/dbraw/zinc/67/79/09/348677909.db2.gz MAPAWAKDHFBHAK-CQSZACIVSA-N 0 3 242.366 3.101 20 30 BGEDHN CCCC1CCC(CN2CC(CC#N)C2)CC1 ZINC000597203605 348677849 /nfs/dbraw/zinc/67/78/49/348677849.db2.gz MIWPOUXHEGCRNK-UHFFFAOYSA-N 0 3 234.387 3.438 20 30 BGEDHN CCCC[C@@H](CC)CCN1CC(CC#N)C1 ZINC000597203713 711833840 /nfs/dbraw/zinc/83/38/40/711833840.db2.gz MUERURIVZQBUPV-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN CCCC[C@H](CC)CCN1CC(CC#N)C1 ZINC000597203714 348677882 /nfs/dbraw/zinc/67/78/82/348677882.db2.gz MUERURIVZQBUPV-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN N#CCC1CN(CCCC2CCCCC2)C1 ZINC000597204166 348677805 /nfs/dbraw/zinc/67/78/05/348677805.db2.gz RUNXGLZEWNNKPR-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000597216262 348690585 /nfs/dbraw/zinc/69/05/85/348690585.db2.gz VIJUTKQOFODKJT-HZSPNIEDSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000597216263 348690502 /nfs/dbraw/zinc/69/05/02/348690502.db2.gz VIJUTKQOFODKJT-RDBSUJKOSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CNC2CC3(CCC3)C2)CCCCC1 ZINC000597216587 348690649 /nfs/dbraw/zinc/69/06/49/348690649.db2.gz ZBGCPKSRMDUKKL-UHFFFAOYSA-N 0 3 232.371 3.383 20 30 BGEDHN CC(C)(C)CCNCC1(C#N)CCCCC1 ZINC000597224386 348694858 /nfs/dbraw/zinc/69/48/58/348694858.db2.gz HOWMAPHMQXWIPA-UHFFFAOYSA-N 0 3 222.376 3.486 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000597229358 348697586 /nfs/dbraw/zinc/69/75/86/348697586.db2.gz RJSDQBRNMAAXFK-CYBMUJFWSA-N 0 3 244.338 3.163 20 30 BGEDHN N#Cc1ccc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000597229359 348697811 /nfs/dbraw/zinc/69/78/11/348697811.db2.gz RJSDQBRNMAAXFK-ZDUSSCGKSA-N 0 3 244.338 3.163 20 30 BGEDHN CC[C@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597230024 348697926 /nfs/dbraw/zinc/69/79/26/348697926.db2.gz OSJQTCGVQSQYKW-GDBMZVCRSA-N 0 3 242.366 3.416 20 30 BGEDHN CC[C@@H](CN1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597230026 348697495 /nfs/dbraw/zinc/69/74/95/348697495.db2.gz OSJQTCGVQSQYKW-GOEBONIOSA-N 0 3 242.366 3.416 20 30 BGEDHN CC[C@@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597230029 348698019 /nfs/dbraw/zinc/69/80/19/348698019.db2.gz OSJQTCGVQSQYKW-HOCLYGCPSA-N 0 3 242.366 3.416 20 30 BGEDHN CC[C@H](CN1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597230030 348697446 /nfs/dbraw/zinc/69/74/46/348697446.db2.gz OSJQTCGVQSQYKW-ZBFHGGJFSA-N 0 3 242.366 3.416 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CN1CC[C@@](C)(C#N)C1 ZINC000597230865 348698472 /nfs/dbraw/zinc/69/84/72/348698472.db2.gz JLYLTWYEQRDJCY-KKUMJFAQSA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CN1CC[C@](C)(C#N)C1 ZINC000597230875 348698831 /nfs/dbraw/zinc/69/88/31/348698831.db2.gz JLYLTWYEQRDJCY-RRFJBIMHSA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=CCC[C@H](C)[C@H]1CN1CC[C@](C)(C#N)C1 ZINC000597230877 348698747 /nfs/dbraw/zinc/69/87/47/348698747.db2.gz JLYLTWYEQRDJCY-SOUVJXGZSA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@](C)(C#N)C1 ZINC000597230878 348698451 /nfs/dbraw/zinc/69/84/51/348698451.db2.gz JLYLTWYEQRDJCY-ZNMIVQPWSA-N 0 3 232.371 3.214 20 30 BGEDHN CC(C)C(CN1CC[C@@](C)(C#N)C1)C(C)C ZINC000597231374 348699997 /nfs/dbraw/zinc/69/99/97/348699997.db2.gz MCIYBTSINPFIRO-AWEZNQCLSA-N 0 3 222.376 3.150 20 30 BGEDHN CC(C)C(CN1CC[C@](C)(C#N)C1)C(C)C ZINC000597231375 348699363 /nfs/dbraw/zinc/69/93/63/348699363.db2.gz MCIYBTSINPFIRO-CQSZACIVSA-N 0 3 222.376 3.150 20 30 BGEDHN C[C@H](Cc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597232278 348699309 /nfs/dbraw/zinc/69/93/09/348699309.db2.gz SDVOEYSBIRRPFW-GDBMZVCRSA-N 0 3 242.366 3.101 20 30 BGEDHN C[C@@H](Cc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597232279 348699788 /nfs/dbraw/zinc/69/97/88/348699788.db2.gz SDVOEYSBIRRPFW-GOEBONIOSA-N 0 3 242.366 3.101 20 30 BGEDHN C[C@@H](Cc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597232280 348699903 /nfs/dbraw/zinc/69/99/03/348699903.db2.gz SDVOEYSBIRRPFW-HOCLYGCPSA-N 0 3 242.366 3.101 20 30 BGEDHN C[C@H](Cc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597232281 348699830 /nfs/dbraw/zinc/69/98/30/348699830.db2.gz SDVOEYSBIRRPFW-ZBFHGGJFSA-N 0 3 242.366 3.101 20 30 BGEDHN CC1=C[C@H](C)C[C@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000597232737 348700461 /nfs/dbraw/zinc/70/04/61/348700461.db2.gz WOYSKKIJRLQTPW-AEGPPILISA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=C[C@H](C)C[C@@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000597232738 348700576 /nfs/dbraw/zinc/70/05/76/348700576.db2.gz WOYSKKIJRLQTPW-CFVMTHIKSA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=C[C@H](C)C[C@@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000597232739 348700353 /nfs/dbraw/zinc/70/03/53/348700353.db2.gz WOYSKKIJRLQTPW-NWANDNLSSA-N 0 3 232.371 3.214 20 30 BGEDHN CC1=C[C@H](C)C[C@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000597232740 348700308 /nfs/dbraw/zinc/70/03/08/348700308.db2.gz WOYSKKIJRLQTPW-QEJZJMRPSA-N 0 3 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CCCCC[C@H]1CCCCN1C(=O)C(C)C#N ZINC000598459786 348977414 /nfs/dbraw/zinc/97/74/14/348977414.db2.gz HQSSQSMSNVMERL-STQMWFEESA-N 0 3 236.359 3.107 20 30 BGEDHN CCCc1ccc(CNCCCC#N)s1 ZINC000598636906 349014767 /nfs/dbraw/zinc/01/47/67/349014767.db2.gz JXNPBEOALAEURP-UHFFFAOYSA-N 0 3 222.357 3.094 20 30 BGEDHN CCCc1ccc(CNCC2(CC#N)CC2)s1 ZINC000598638453 349007605 /nfs/dbraw/zinc/00/76/05/349007605.db2.gz IYXDCIFPFPQECT-UHFFFAOYSA-N 0 3 248.395 3.484 20 30 BGEDHN CCCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000598645849 349009746 /nfs/dbraw/zinc/00/97/46/349009746.db2.gz NEJVCWYGLZIMIT-NWDGAFQWSA-N 0 3 248.395 3.482 20 30 BGEDHN C[C@H]1c2ccccc2CN1[C@H]1CC[C@H](C#N)C1 ZINC000598650663 349012386 /nfs/dbraw/zinc/01/23/86/349012386.db2.gz UXGHQTGUQKHJFX-OBJOEFQTSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@H]1c2ccccc2CN1[C@@H]1CC[C@@H](C#N)C1 ZINC000598650674 349011882 /nfs/dbraw/zinc/01/18/82/349011882.db2.gz UXGHQTGUQKHJFX-OUCADQQQSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@H]1c2ccccc2CN1[C@H]1CC[C@@H](C#N)C1 ZINC000598650676 349012237 /nfs/dbraw/zinc/01/22/37/349012237.db2.gz UXGHQTGUQKHJFX-SCRDCRAPSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@H]1c2ccccc2CN1[C@@H]1CC[C@H](C#N)C1 ZINC000598650677 349012037 /nfs/dbraw/zinc/01/20/37/349012037.db2.gz UXGHQTGUQKHJFX-SGMGOOAPSA-N 0 3 226.323 3.255 20 30 BGEDHN C[C@H](NCC1CC(C)C1)c1ccc(C#N)cc1F ZINC000598679027 349021172 /nfs/dbraw/zinc/02/11/72/349021172.db2.gz CXOVFIQIYDXXBD-AKJDGMEZSA-N 0 3 246.329 3.394 20 30 BGEDHN C[C@@H](NCC1CC(C)C1)c1ccc(C#N)cc1F ZINC000598679036 349021343 /nfs/dbraw/zinc/02/13/43/349021343.db2.gz CXOVFIQIYDXXBD-QWKFWESOSA-N 0 3 246.329 3.394 20 30 BGEDHN Cc1cc(CN2CC(CC3CC3)C2)ccc1C#N ZINC000598679204 349021319 /nfs/dbraw/zinc/02/13/19/349021319.db2.gz ZYJBCWBQSPTBJO-UHFFFAOYSA-N 0 3 240.350 3.099 20 30 BGEDHN N#CCCCNCc1csc(C(F)(F)F)c1 ZINC000598971986 349069299 /nfs/dbraw/zinc/06/92/99/349069299.db2.gz KRTZOGDDVXBCQN-UHFFFAOYSA-N 0 3 248.273 3.160 20 30 BGEDHN N#CCCCNCc1ccsc1C(F)(F)F 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/nfs/dbraw/zinc/17/62/62/349176262.db2.gz GUCREEGHHKXIHX-CHWSQXEVSA-N 0 3 210.365 3.485 20 30 BGEDHN CCC[C@@H](C)CCCN[C@@H](CC)CC#N ZINC000599436495 349176010 /nfs/dbraw/zinc/17/60/10/349176010.db2.gz GUCREEGHHKXIHX-OLZOCXBDSA-N 0 3 210.365 3.485 20 30 BGEDHN CCC[C@H](C)CCCN[C@H](CC)CC#N ZINC000599436496 349175845 /nfs/dbraw/zinc/17/58/45/349175845.db2.gz GUCREEGHHKXIHX-QWHCGFSZSA-N 0 3 210.365 3.485 20 30 BGEDHN CCC[C@H](C)CCCN[C@@H](CC)CC#N ZINC000599436497 349176169 /nfs/dbraw/zinc/17/61/69/349176169.db2.gz GUCREEGHHKXIHX-STQMWFEESA-N 0 3 210.365 3.485 20 30 BGEDHN CCN(CCSC)Cc1ccc(C)c(C#N)c1 ZINC000599452475 349199010 /nfs/dbraw/zinc/19/90/10/349199010.db2.gz QJKBNBBVCMTZTE-UHFFFAOYSA-N 0 3 248.395 3.052 20 30 BGEDHN Cc1ccc(CN2CCC23CCCC3)cc1C#N ZINC000599452791 349198644 /nfs/dbraw/zinc/19/86/44/349198644.db2.gz WXEGDIOZUZUBRV-UHFFFAOYSA-N 0 3 240.350 3.385 20 30 BGEDHN Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000599458631 349190628 /nfs/dbraw/zinc/19/06/28/349190628.db2.gz UUNVKKUQMPBLQP-HOCLYGCPSA-N 0 3 240.350 3.241 20 30 BGEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@@H](C)C1(F)F ZINC000599512827 349204838 /nfs/dbraw/zinc/20/48/38/349204838.db2.gz NUURXXZMXRWUOJ-GHMZBOCLSA-N 0 3 244.329 3.149 20 30 BGEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512828 349204039 /nfs/dbraw/zinc/20/40/39/349204039.db2.gz NUURXXZMXRWUOJ-PHIMTYICSA-N 0 3 244.329 3.149 20 30 BGEDHN C[C@H]1CN(CCC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512829 349204276 /nfs/dbraw/zinc/20/42/76/349204276.db2.gz NUURXXZMXRWUOJ-QWRGUYRKSA-N 0 3 244.329 3.149 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000599526037 349207243 /nfs/dbraw/zinc/20/72/43/349207243.db2.gz CFXBDAHBTQFFHQ-GFCCVEGCSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000599526038 349207919 /nfs/dbraw/zinc/20/79/19/349207919.db2.gz CFXBDAHBTQFFHQ-LBPRGKRZSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000599526268 349207757 /nfs/dbraw/zinc/20/77/57/349207757.db2.gz IZHASFXELNTURD-GFCCVEGCSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000599526269 349207734 /nfs/dbraw/zinc/20/77/34/349207734.db2.gz IZHASFXELNTURD-LBPRGKRZSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000599526500 349207836 /nfs/dbraw/zinc/20/78/36/349207836.db2.gz NLBLWZIDKFANRM-GFCCVEGCSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000599526501 349207747 /nfs/dbraw/zinc/20/77/47/349207747.db2.gz NLBLWZIDKFANRM-LBPRGKRZSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000599528395 349208539 /nfs/dbraw/zinc/20/85/39/349208539.db2.gz CLZRUXWCEMJHFB-LLVKDONJSA-N 0 3 232.352 3.018 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000599528396 349208481 /nfs/dbraw/zinc/20/84/81/349208481.db2.gz CLZRUXWCEMJHFB-NSHDSACASA-N 0 3 232.352 3.018 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000599529318 349209256 /nfs/dbraw/zinc/20/92/56/349209256.db2.gz MFAZGSZCEXVJOH-GFCCVEGCSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000599529319 349209423 /nfs/dbraw/zinc/20/94/23/349209423.db2.gz MFAZGSZCEXVJOH-LBPRGKRZSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000599529594 349209667 /nfs/dbraw/zinc/20/96/67/349209667.db2.gz OJJUMOZMHFHXNB-GFCCVEGCSA-N 0 3 244.313 3.095 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000599529595 349209340 /nfs/dbraw/zinc/20/93/40/349209340.db2.gz OJJUMOZMHFHXNB-LBPRGKRZSA-N 0 3 244.313 3.095 20 30 BGEDHN CC1(C)CCC(C)(C)N(CC2(C#N)CC2)C1 ZINC000599539381 349221036 /nfs/dbraw/zinc/22/10/36/349221036.db2.gz ZUMVNODDXKEJCM-UHFFFAOYSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)(C#N)CCN1CCCC(F)(F)CC1 ZINC000599553289 385662377 /nfs/dbraw/zinc/66/23/77/385662377.db2.gz YNOULONGWSQGPD-UHFFFAOYSA-N 0 3 230.302 3.047 20 30 BGEDHN C[C@H](CCC#N)N[C@H](c1ccccn1)C1CCC1 ZINC000599572761 349224342 /nfs/dbraw/zinc/22/43/42/349224342.db2.gz BJFBVGCHSSFELW-DOMZBBRYSA-N 0 3 243.354 3.205 20 30 BGEDHN C[C@H](CCC#N)N[C@@H](c1ccccn1)C1CCC1 ZINC000599572762 349224493 /nfs/dbraw/zinc/22/44/93/349224493.db2.gz BJFBVGCHSSFELW-IUODEOHRSA-N 0 3 243.354 3.205 20 30 BGEDHN C[C@@H](CCC#N)N[C@@H](c1ccccn1)C1CCC1 ZINC000599572763 349224510 /nfs/dbraw/zinc/22/45/10/349224510.db2.gz BJFBVGCHSSFELW-SWLSCSKDSA-N 0 3 243.354 3.205 20 30 BGEDHN C[C@@H](CCC#N)N[C@H](c1ccccn1)C1CCC1 ZINC000599572764 349224347 /nfs/dbraw/zinc/22/43/47/349224347.db2.gz BJFBVGCHSSFELW-WFASDCNBSA-N 0 3 243.354 3.205 20 30 BGEDHN N#CC1(CCN(C2CC2)C2CC2)CCCCC1 ZINC000599600923 349232679 /nfs/dbraw/zinc/23/26/79/349232679.db2.gz YAAZPRJCPMQFRH-UHFFFAOYSA-N 0 3 232.371 3.477 20 30 BGEDHN C=CCC1(NCC2(C#N)CC2)CCCCC1 ZINC000599609919 349227453 /nfs/dbraw/zinc/22/74/53/349227453.db2.gz LYAJQLJBNWXXGE-UHFFFAOYSA-N 0 3 218.344 3.159 20 30 BGEDHN C[C@H](CN(C)CC1(C#N)CC1)C1CCCCC1 ZINC000599633182 349236907 /nfs/dbraw/zinc/23/69/07/349236907.db2.gz NFLZUISIBXUCOL-CYBMUJFWSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H](CN(C)CC1(C#N)CC1)C1CCCCC1 ZINC000599633183 349237163 /nfs/dbraw/zinc/23/71/63/349237163.db2.gz NFLZUISIBXUCOL-ZDUSSCGKSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@]12CCCC[C@H]1CN2Cc1cccc(C#N)c1 ZINC000599669109 349247474 /nfs/dbraw/zinc/24/74/74/349247474.db2.gz BHMYUXLMQWRZBU-HOTGVXAUSA-N 0 3 240.350 3.323 20 30 BGEDHN C[C@]12CCCC[C@H]1CN2Cc1ccc(C#N)cc1 ZINC000599669781 349248463 /nfs/dbraw/zinc/24/84/63/349248463.db2.gz FJIUZYCLOOKOFT-HOTGVXAUSA-N 0 3 240.350 3.323 20 30 BGEDHN C[C@]12CCCC[C@H]1CN2Cc1ccccc1C#N ZINC000599671829 349240092 /nfs/dbraw/zinc/24/00/92/349240092.db2.gz SCPQJIQPMFVBIA-HOTGVXAUSA-N 0 3 240.350 3.323 20 30 BGEDHN N#Cc1ccc(CN2CCCC3(CC3)CC2)s1 ZINC000599672895 349241653 /nfs/dbraw/zinc/24/16/53/349241653.db2.gz IRHPSKNBMZDOJA-UHFFFAOYSA-N 0 3 246.379 3.386 20 30 BGEDHN N#Cc1ccccc1CN1CCCC2(CC2)CC1 ZINC000599673602 349241640 /nfs/dbraw/zinc/24/16/40/349241640.db2.gz RGTGSCJTGRFKIT-UHFFFAOYSA-N 0 3 240.350 3.324 20 30 BGEDHN C=C(CC)CN1CCc2c(CC#N)cccc2C1 ZINC000599676385 349242182 /nfs/dbraw/zinc/24/21/82/349242182.db2.gz CMGTWQNYCGSUBA-UHFFFAOYSA-N 0 3 240.350 3.077 20 30 BGEDHN CCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677676 349242860 /nfs/dbraw/zinc/24/28/60/349242860.db2.gz BVQFJAAOYYPOMJ-UHFFFAOYSA-N 0 3 242.366 3.301 20 30 BGEDHN C=C(C)CCN1CCc2c(CC#N)cccc2C1 ZINC000599679138 487964527 /nfs/dbraw/zinc/96/45/27/487964527.db2.gz WMLNSBRWPIJIRB-UHFFFAOYSA-N 0 3 240.350 3.077 20 30 BGEDHN C=CCCCN1CCc2c(CC#N)cccc2C1 ZINC000599679602 487964471 /nfs/dbraw/zinc/96/44/71/487964471.db2.gz VQNQHPCNLUKWSQ-UHFFFAOYSA-N 0 3 240.350 3.077 20 30 BGEDHN CC(C)=CCN1CCc2c(CC#N)cccc2C1 ZINC000599685232 349243483 /nfs/dbraw/zinc/24/34/83/349243483.db2.gz AYUTZMPFJTYAPY-UHFFFAOYSA-N 0 3 240.350 3.077 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CN(C)C[C@@H](C)C#N ZINC000600111452 342670273 /nfs/dbraw/zinc/67/02/73/342670273.db2.gz CZFCUPHFDPWPBR-BFHYXJOUSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CN(C)C[C@H](C)C#N ZINC000600111529 342670286 /nfs/dbraw/zinc/67/02/86/342670286.db2.gz CZFCUPHFDPWPBR-MCIONIFRSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CN(C)C[C@H](C)C#N ZINC000600111532 342670461 /nfs/dbraw/zinc/67/04/61/342670461.db2.gz CZFCUPHFDPWPBR-MGPQQGTHSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CN(C)C[C@@H](C)C#N ZINC000600111534 342670441 /nfs/dbraw/zinc/67/04/41/342670441.db2.gz CZFCUPHFDPWPBR-MJBXVCDLSA-N 0 3 222.376 3.294 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CN(C)[C@@H](C)CC#N ZINC000600117734 342673994 /nfs/dbraw/zinc/67/39/94/342673994.db2.gz NWEYBEVPAUSDGZ-BFHYXJOUSA-N 0 3 222.376 3.437 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CN(C)[C@H](C)CC#N ZINC000600117735 342674038 /nfs/dbraw/zinc/67/40/38/342674038.db2.gz NWEYBEVPAUSDGZ-MCIONIFRSA-N 0 3 222.376 3.437 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CN(C)[C@H](C)CC#N ZINC000600117736 342674324 /nfs/dbraw/zinc/67/43/24/342674324.db2.gz NWEYBEVPAUSDGZ-MGPQQGTHSA-N 0 3 222.376 3.437 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CN(C)[C@@H](C)CC#N ZINC000600117737 342674458 /nfs/dbraw/zinc/67/44/58/342674458.db2.gz NWEYBEVPAUSDGZ-MJBXVCDLSA-N 0 3 222.376 3.437 20 30 BGEDHN Cc1ccc([C@H](C)CNCC(C)(C)C#N)cc1 ZINC000600145403 342690036 /nfs/dbraw/zinc/69/00/36/342690036.db2.gz PNAYAJFZIVYDCC-CYBMUJFWSA-N 0 3 230.355 3.238 20 30 BGEDHN Cc1ccc([C@@H](C)CNCC(C)(C)C#N)cc1 ZINC000600145404 342690042 /nfs/dbraw/zinc/69/00/42/342690042.db2.gz PNAYAJFZIVYDCC-ZDUSSCGKSA-N 0 3 230.355 3.238 20 30 BGEDHN CC[C@H](CC#N)NC[C@H](C)c1ccc(C)cc1 ZINC000600152109 342691489 /nfs/dbraw/zinc/69/14/89/342691489.db2.gz RJXATAFVNRWRQV-DZGCQCFKSA-N 0 3 230.355 3.380 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H](C)c1ccc(C)cc1 ZINC000600152110 342691585 /nfs/dbraw/zinc/69/15/85/342691585.db2.gz RJXATAFVNRWRQV-HIFRSBDPSA-N 0 3 230.355 3.380 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H](C)c1ccc(C)cc1 ZINC000600152111 342691747 /nfs/dbraw/zinc/69/17/47/342691747.db2.gz RJXATAFVNRWRQV-UKRRQHHQSA-N 0 3 230.355 3.380 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H](C)c1ccc(C)cc1 ZINC000600152112 342691662 /nfs/dbraw/zinc/69/16/62/342691662.db2.gz RJXATAFVNRWRQV-ZFWWWQNUSA-N 0 3 230.355 3.380 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CNCC1(C#N)CC1 ZINC000600153353 342691821 /nfs/dbraw/zinc/69/18/21/342691821.db2.gz JNDVRFVVZWECIW-CHWSQXEVSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CNCC1(C#N)CC1 ZINC000600153354 342691799 /nfs/dbraw/zinc/69/17/99/342691799.db2.gz JNDVRFVVZWECIW-OLZOCXBDSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1CNCC1(C#N)CC1 ZINC000600153355 342691873 /nfs/dbraw/zinc/69/18/73/342691873.db2.gz JNDVRFVVZWECIW-QWHCGFSZSA-N 0 3 220.360 3.096 20 30 BGEDHN CC[C@H]1CCCC[C@H]1CNCC1(C#N)CC1 ZINC000600153356 342692144 /nfs/dbraw/zinc/69/21/44/342692144.db2.gz JNDVRFVVZWECIW-STQMWFEESA-N 0 3 220.360 3.096 20 30 BGEDHN Cc1ccc([C@@H](C)CNCC2(C#N)CCC2)cc1 ZINC000600164064 342693887 /nfs/dbraw/zinc/69/38/87/342693887.db2.gz BUGNBGOKQMKFHB-AWEZNQCLSA-N 0 3 242.366 3.382 20 30 BGEDHN Cc1ccc([C@H](C)CNCC2(C#N)CCC2)cc1 ZINC000600164065 342693799 /nfs/dbraw/zinc/69/37/99/342693799.db2.gz BUGNBGOKQMKFHB-CQSZACIVSA-N 0 3 242.366 3.382 20 30 BGEDHN CC[C@H]1CCCC[C@H]1CNCC1(C#N)CCC1 ZINC000600164662 342693877 /nfs/dbraw/zinc/69/38/77/342693877.db2.gz IKCVYJKKGGHTSP-KBPBESRZSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CNCC1(C#N)CCC1 ZINC000600164663 342693795 /nfs/dbraw/zinc/69/37/95/342693795.db2.gz IKCVYJKKGGHTSP-KGLIPLIRSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1CNCC1(C#N)CCC1 ZINC000600164665 342693857 /nfs/dbraw/zinc/69/38/57/342693857.db2.gz IKCVYJKKGGHTSP-UONOGXRCSA-N 0 3 234.387 3.486 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CNCC1(C#N)CCC1 ZINC000600164667 342693860 /nfs/dbraw/zinc/69/38/60/342693860.db2.gz IKCVYJKKGGHTSP-ZIAGYGMSSA-N 0 3 234.387 3.486 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000600172431 342695299 /nfs/dbraw/zinc/69/52/99/342695299.db2.gz BQAJGOQNXACBEN-UBHSHLNASA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000600172437 342695345 /nfs/dbraw/zinc/69/53/45/342695345.db2.gz BQAJGOQNXACBEN-XBFCOCLRSA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)C1CC(F)(F)C1 ZINC000600174075 342695915 /nfs/dbraw/zinc/69/59/15/342695915.db2.gz TVSJBXXMGNVLCG-JTQLQIEISA-N 0 3 242.313 3.094 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)C1CC(F)(F)C1 ZINC000600174081 342695945 /nfs/dbraw/zinc/69/59/45/342695945.db2.gz TVSJBXXMGNVLCG-SNVBAGLBSA-N 0 3 242.313 3.094 20 30 BGEDHN CC[C@H]1CCCC[C@H]1CN1CC(CC#N)C1 ZINC000600181379 342697166 /nfs/dbraw/zinc/69/71/66/342697166.db2.gz SDXHSXBIIXTRSE-KBPBESRZSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@@H]1CCCC[C@H]1CN1CC(CC#N)C1 ZINC000600181380 342697215 /nfs/dbraw/zinc/69/72/15/342697215.db2.gz SDXHSXBIIXTRSE-KGLIPLIRSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@H]1CCCC[C@@H]1CN1CC(CC#N)C1 ZINC000600181381 342697253 /nfs/dbraw/zinc/69/72/53/342697253.db2.gz SDXHSXBIIXTRSE-UONOGXRCSA-N 0 3 220.360 3.048 20 30 BGEDHN CC[C@@H]1CCCC[C@@H]1CN1CC(CC#N)C1 ZINC000600181382 342697112 /nfs/dbraw/zinc/69/71/12/342697112.db2.gz SDXHSXBIIXTRSE-ZIAGYGMSSA-N 0 3 220.360 3.048 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000600184959 342697951 /nfs/dbraw/zinc/69/79/51/342697951.db2.gz JCAKVMWHYIDBQF-LLVKDONJSA-N 0 3 232.352 3.018 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000600184960 342698046 /nfs/dbraw/zinc/69/80/46/342698046.db2.gz JCAKVMWHYIDBQF-NSHDSACASA-N 0 3 232.352 3.018 20 30 BGEDHN C/C=C/C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600212503 369515179 /nfs/dbraw/zinc/51/51/79/369515179.db2.gz FLFMYALCIGWRQQ-IBUXWKBASA-N 0 3 244.338 3.329 20 30 BGEDHN C/C=C\C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600212508 369514477 /nfs/dbraw/zinc/51/44/77/369514477.db2.gz FLFMYALCIGWRQQ-XQJDBVBESA-N 0 3 244.338 3.329 20 30 BGEDHN C/C=C/C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600212509 369514537 /nfs/dbraw/zinc/51/45/37/369514537.db2.gz FLFMYALCIGWRQQ-YWVDXFKGSA-N 0 3 244.338 3.329 20 30 BGEDHN C/C=C\C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600212510 369514651 /nfs/dbraw/zinc/51/46/51/369514651.db2.gz FLFMYALCIGWRQQ-ZRMMWKCHSA-N 0 3 244.338 3.329 20 30 BGEDHN N#Cc1csc(CN2CCCC3(CC3)CC2)c1 ZINC000600215825 369515978 /nfs/dbraw/zinc/51/59/78/369515978.db2.gz ONCFTMDHGJPGHH-UHFFFAOYSA-N 0 3 246.379 3.386 20 30 BGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(C)ccc1C ZINC000600517700 344253682 /nfs/dbraw/zinc/25/36/82/344253682.db2.gz QHYVYGFKVDBBJP-GXTWGEPZSA-N 0 3 244.338 3.030 20 30 BGEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(C)ccc1C ZINC000600517701 344253931 /nfs/dbraw/zinc/25/39/31/344253931.db2.gz QHYVYGFKVDBBJP-JSGCOSHPSA-N 0 3 244.338 3.030 20 30 BGEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(C)ccc1C ZINC000600517702 344254073 /nfs/dbraw/zinc/25/40/73/344254073.db2.gz QHYVYGFKVDBBJP-OCCSQVGLSA-N 0 3 244.338 3.030 20 30 BGEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(C)ccc1C ZINC000600517703 344253904 /nfs/dbraw/zinc/25/39/04/344253904.db2.gz QHYVYGFKVDBBJP-TZMCWYRMSA-N 0 3 244.338 3.030 20 30 BGEDHN CC1(C)CCC[C@H]1CCNC[C@H](C#N)CCC#N ZINC000600599946 344337721 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RPRMVNOJTWNPBO-UHFFFAOYSA-N 0 3 220.316 3.067 20 30 BGEDHN N#Cc1ccc(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000601149175 369596404 /nfs/dbraw/zinc/59/64/04/369596404.db2.gz KIGMEMSOINKLKN-GWCFXTLKSA-N 0 3 232.352 3.042 20 30 BGEDHN N#Cc1ccc(CN[C@]23C[C@H]2CCCC3)s1 ZINC000601149178 364542647 /nfs/dbraw/zinc/54/26/47/364542647.db2.gz KIGMEMSOINKLKN-ZWNOBZJWSA-N 0 3 232.352 3.042 20 30 BGEDHN N#Cc1ccc(CN[C@]23C[C@H]2CCCC3)c(F)c1 ZINC000601149565 369596621 /nfs/dbraw/zinc/59/66/21/369596621.db2.gz OCNWCXNWYAVTEN-UKRRQHHQSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CN[C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000601149566 364544935 /nfs/dbraw/zinc/54/49/35/364544935.db2.gz OCNWCXNWYAVTEN-ZFWWWQNUSA-N 0 3 244.313 3.120 20 30 BGEDHN Cc1ccc(CNC2CCC(C)(C#N)CC2)o1 ZINC000601151766 346435203 /nfs/dbraw/zinc/43/52/03/346435203.db2.gz DPIUNDDKYVWHIV-UHFFFAOYSA-N 0 3 232.327 3.150 20 30 BGEDHN CCC[C@@H](NCCCC#N)c1cc(C)ccn1 ZINC000601277499 347139995 /nfs/dbraw/zinc/13/99/95/347139995.db2.gz WKHYDOFOGYYDRT-CYBMUJFWSA-N 0 3 231.343 3.125 20 30 BGEDHN CCC[C@H](NCCCC#N)c1cc(C)ccn1 ZINC000601277500 347140417 /nfs/dbraw/zinc/14/04/17/347140417.db2.gz WKHYDOFOGYYDRT-ZDUSSCGKSA-N 0 3 231.343 3.125 20 30 BGEDHN CC(C)(F)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000601286838 364661322 /nfs/dbraw/zinc/66/13/22/364661322.db2.gz BUQYZDVDFFYZIM-AWEZNQCLSA-N 0 3 246.329 3.273 20 30 BGEDHN CC(C)(F)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000601286843 369620487 /nfs/dbraw/zinc/62/04/87/369620487.db2.gz BUQYZDVDFFYZIM-CQSZACIVSA-N 0 3 246.329 3.273 20 30 BGEDHN CC[C@@H](NCC(C)(C)F)c1ccc(C#N)cc1 ZINC000601288497 369620521 /nfs/dbraw/zinc/62/05/21/369620521.db2.gz ZCGFSRVABCIMQU-CYBMUJFWSA-N 0 3 234.318 3.347 20 30 BGEDHN CC[C@H](NCC(C)(C)F)c1ccc(C#N)cc1 ZINC000601288498 369619766 /nfs/dbraw/zinc/61/97/66/369619766.db2.gz ZCGFSRVABCIMQU-ZDUSSCGKSA-N 0 3 234.318 3.347 20 30 BGEDHN Cc1ncc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)s1 ZINC000601298369 347171219 /nfs/dbraw/zinc/17/12/19/347171219.db2.gz NLTLHJQNZUKSRU-DLOVCJGASA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1ncc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000601298370 347171699 /nfs/dbraw/zinc/17/16/99/347171699.db2.gz NLTLHJQNZUKSRU-MVWJERBFSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1ncc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000601298371 347171678 /nfs/dbraw/zinc/17/16/78/347171678.db2.gz NLTLHJQNZUKSRU-WCQGTBRESA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1ncc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000601298372 347171734 /nfs/dbraw/zinc/17/17/34/347171734.db2.gz NLTLHJQNZUKSRU-ZMLRMANQSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1ccccc1[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000601305459 347183524 /nfs/dbraw/zinc/18/35/24/347183524.db2.gz WCFXLHYBWUSUSL-MCIONIFRSA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000601305462 347183863 /nfs/dbraw/zinc/18/38/63/347183863.db2.gz WCFXLHYBWUSUSL-MGPQQGTHSA-N 0 3 228.339 3.338 20 30 BGEDHN Cc1ccccc1[C@@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000601305463 347183835 /nfs/dbraw/zinc/18/38/35/347183835.db2.gz WCFXLHYBWUSUSL-RDBSUJKOSA-N 0 3 228.339 3.338 20 30 BGEDHN C=CCCC(C)(C)CNC[C@@H](C#N)CCC#N ZINC000601934983 349388827 /nfs/dbraw/zinc/38/88/27/349388827.db2.gz ODVBBZXHTFHUBU-CYBMUJFWSA-N 0 3 233.359 3.012 20 30 BGEDHN C=CCCC(C)(C)CNC[C@H](C#N)CCC#N ZINC000601934999 349389043 /nfs/dbraw/zinc/38/90/43/349389043.db2.gz ODVBBZXHTFHUBU-ZDUSSCGKSA-N 0 3 233.359 3.012 20 30 BGEDHN N#Cc1c(F)cccc1CNC1CCCCC1 ZINC000601995562 369733783 /nfs/dbraw/zinc/73/37/83/369733783.db2.gz FAPHQXISWPIBCY-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN CC1(NCc2cccc(F)c2C#N)CCCC1 ZINC000602003247 369733830 /nfs/dbraw/zinc/73/38/30/369733830.db2.gz SILJDKBUBWMANA-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN N#Cc1c(F)cccc1CNC[C@@H]1CC=CCC1 ZINC000602004419 369733496 /nfs/dbraw/zinc/73/34/96/369733496.db2.gz DLRJEZGCUXMLQH-GFCCVEGCSA-N 0 3 244.313 3.143 20 30 BGEDHN N#Cc1c(F)cccc1CNC[C@H]1CC=CCC1 ZINC000602004442 369733689 /nfs/dbraw/zinc/73/36/89/369733689.db2.gz DLRJEZGCUXMLQH-LBPRGKRZSA-N 0 3 244.313 3.143 20 30 BGEDHN CC(C)C(C)(C)NCc1cccc(F)c1C#N ZINC000602008169 369733030 /nfs/dbraw/zinc/73/30/30/369733030.db2.gz QJKHMYFFMGFFEJ-UHFFFAOYSA-N 0 3 234.318 3.222 20 30 BGEDHN CCC1(NCc2cccc(F)c2C#N)CCC1 ZINC000602009828 369733073 /nfs/dbraw/zinc/73/30/73/369733073.db2.gz AYYQWNBZEQUYIV-UHFFFAOYSA-N 0 3 232.302 3.120 20 30 BGEDHN C=CC[C@@H](CC)NCc1cccc(F)c1C#N ZINC000602015707 349417341 /nfs/dbraw/zinc/41/73/41/349417341.db2.gz HMWVVNCYOGFDQR-GFCCVEGCSA-N 0 3 232.302 3.142 20 30 BGEDHN C=CC[C@H](CC)NCc1cccc(F)c1C#N ZINC000602015708 349417174 /nfs/dbraw/zinc/41/71/74/349417174.db2.gz HMWVVNCYOGFDQR-LBPRGKRZSA-N 0 3 232.302 3.142 20 30 BGEDHN CC(C)=CCCNCc1cccc(F)c1C#N ZINC000602015996 369735667 /nfs/dbraw/zinc/73/56/67/369735667.db2.gz CHAKEPUKCQFACA-UHFFFAOYSA-N 0 3 232.302 3.143 20 30 BGEDHN C[C@]1(NCc2cccc(F)c2C#N)CC=CCC1 ZINC000602016989 369736753 /nfs/dbraw/zinc/73/67/53/369736753.db2.gz BTSSQFBRCXEHKM-HNNXBMFYSA-N 0 3 244.313 3.286 20 30 BGEDHN C[C@@]1(NCc2cccc(F)c2C#N)CC=CCC1 ZINC000602016997 369735027 /nfs/dbraw/zinc/73/50/27/369735027.db2.gz BTSSQFBRCXEHKM-OAHLLOKOSA-N 0 3 244.313 3.286 20 30 BGEDHN N#Cc1c(F)cccc1CN[C@H]1CCCC12CC2 ZINC000602017705 369735690 /nfs/dbraw/zinc/73/56/90/369735690.db2.gz SISOKGJWMKYDEM-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCC12CC2 ZINC000602017706 369735359 /nfs/dbraw/zinc/73/53/59/369735359.db2.gz SISOKGJWMKYDEM-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN C=CCCCCNCc1cccc(F)c1C#N ZINC000602017842 349418215 /nfs/dbraw/zinc/41/82/15/349418215.db2.gz SCVMRILMLNGJEZ-UHFFFAOYSA-N 0 3 232.302 3.143 20 30 BGEDHN N#Cc1c(F)cccc1CN[C@]12C[C@H]1CCCC2 ZINC000602018333 369737215 /nfs/dbraw/zinc/73/72/15/369737215.db2.gz ZABHFAHWJGVNPD-IUODEOHRSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1c(F)cccc1CN[C@@]12C[C@@H]1CCCC2 ZINC000602018336 369735113 /nfs/dbraw/zinc/73/51/13/369735113.db2.gz ZABHFAHWJGVNPD-WFASDCNBSA-N 0 3 244.313 3.120 20 30 BGEDHN CC(C)(NCc1cccc(F)c1C#N)C1CCC1 ZINC000602018980 369732105 /nfs/dbraw/zinc/73/21/05/369732105.db2.gz BRMDBRVBPGAEGY-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC[C@](C)(NCc1cccc(F)c1C#N)C1CC1 ZINC000602028013 369738037 /nfs/dbraw/zinc/73/80/37/369738037.db2.gz LSORTSJXLVUOQZ-HNNXBMFYSA-N 0 3 246.329 3.366 20 30 BGEDHN CC[C@@](C)(NCc1cccc(F)c1C#N)C1CC1 ZINC000602028014 369736183 /nfs/dbraw/zinc/73/61/83/369736183.db2.gz LSORTSJXLVUOQZ-OAHLLOKOSA-N 0 3 246.329 3.366 20 30 BGEDHN CC(C)[C@H](NCc1cccc(F)c1C#N)C1CC1 ZINC000602028022 369738188 /nfs/dbraw/zinc/73/81/88/369738188.db2.gz LZRQMWABYMLWRY-HNNXBMFYSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@@H](NCc1cccc(F)c1C#N)C1CC1 ZINC000602028023 369738246 /nfs/dbraw/zinc/73/82/46/369738246.db2.gz LZRQMWABYMLWRY-OAHLLOKOSA-N 0 3 246.329 3.222 20 30 BGEDHN N#Cc1c(F)cccc1CNC1CC2(CCC2)C1 ZINC000602028515 369736477 /nfs/dbraw/zinc/73/64/77/369736477.db2.gz OGJYCBMOLNYVTC-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN CN(Cc1cccc(C#N)n1)C1CCCCCC1 ZINC000602429630 369786908 /nfs/dbraw/zinc/78/69/08/369786908.db2.gz IGJHCOVZGZFJRJ-UHFFFAOYSA-N 0 3 243.354 3.108 20 30 BGEDHN CCCCN(CCCC)Cc1cccc(C#N)n1 ZINC000602430353 369788630 /nfs/dbraw/zinc/78/86/30/369788630.db2.gz YKJJWTATTFRTEO-UHFFFAOYSA-N 0 3 245.370 3.355 20 30 BGEDHN COc1ccccc1CN(C)C[C@H](C)CCC#N ZINC000602432901 349536595 /nfs/dbraw/zinc/53/65/95/349536595.db2.gz IMHMITCVUPCTQC-CYBMUJFWSA-N 0 3 246.354 3.067 20 30 BGEDHN COc1ccccc1CN(C)C[C@@H](C)CCC#N ZINC000602432903 349536721 /nfs/dbraw/zinc/53/67/21/349536721.db2.gz IMHMITCVUPCTQC-ZDUSSCGKSA-N 0 3 246.354 3.067 20 30 BGEDHN C[C@H](CCC#N)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000602434748 349537754 /nfs/dbraw/zinc/53/77/54/349537754.db2.gz RAWCHGHPUIJBKC-GHMZBOCLSA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@H](CCC#N)CN1CCC[C@H](C(F)(F)F)C1 ZINC000602434757 349537886 /nfs/dbraw/zinc/53/78/86/349537886.db2.gz RAWCHGHPUIJBKC-MNOVXSKESA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@@H](CCC#N)CN1CCC[C@H](C(F)(F)F)C1 ZINC000602434759 349538105 /nfs/dbraw/zinc/53/81/05/349538105.db2.gz RAWCHGHPUIJBKC-QWRGUYRKSA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@@H](CCC#N)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000602434760 349537725 /nfs/dbraw/zinc/53/77/25/349537725.db2.gz RAWCHGHPUIJBKC-WDEREUQCSA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2sccc2C1 ZINC000602435339 349522333 /nfs/dbraw/zinc/52/23/33/349522333.db2.gz UBWNBSVMDHVXIB-LLVKDONJSA-N 0 3 234.368 3.046 20 30 BGEDHN C[C@H](CCC#N)CN(C)Cc1ccccc1F ZINC000602435346 349538863 /nfs/dbraw/zinc/53/88/63/349538863.db2.gz SPJGHZGYLPWAQE-GFCCVEGCSA-N 0 3 234.318 3.197 20 30 BGEDHN C[C@@H](CCC#N)CN(C)Cc1ccccc1F ZINC000602435348 349538549 /nfs/dbraw/zinc/53/85/49/349538549.db2.gz SPJGHZGYLPWAQE-LBPRGKRZSA-N 0 3 234.318 3.197 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2sccc2C1 ZINC000602435370 349522390 /nfs/dbraw/zinc/52/23/90/349522390.db2.gz UBWNBSVMDHVXIB-NSHDSACASA-N 0 3 234.368 3.046 20 30 BGEDHN C[C@@H](CCC#N)CN1CCC(C(F)(F)F)CC1 ZINC000602438495 349525491 /nfs/dbraw/zinc/52/54/91/349525491.db2.gz RTHSSQCHODZBAJ-JTQLQIEISA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@H](CCC#N)CN1CCC(C(F)(F)F)CC1 ZINC000602438496 349525243 /nfs/dbraw/zinc/52/52/43/349525243.db2.gz RTHSSQCHODZBAJ-SNVBAGLBSA-N 0 3 248.292 3.201 20 30 BGEDHN CCCCCN(Cc1cccc(C#N)n1)C(C)C ZINC000602441773 349527145 /nfs/dbraw/zinc/52/71/45/349527145.db2.gz ZXGPOZTVWBXRSY-UHFFFAOYSA-N 0 3 245.370 3.354 20 30 BGEDHN CCC(CC)N(Cc1cccc(C#N)n1)C1CC1 ZINC000602442099 369789880 /nfs/dbraw/zinc/78/98/80/369789880.db2.gz USKKDWNUVLNHPS-UHFFFAOYSA-N 0 3 243.354 3.106 20 30 BGEDHN Cc1ccc(CN(C[C@H](C)CCC#N)C2CC2)o1 ZINC000602442110 349533181 /nfs/dbraw/zinc/53/31/81/349533181.db2.gz VIKQTZWXTVMKQJ-GFCCVEGCSA-N 0 3 246.354 3.492 20 30 BGEDHN Cc1ccc(CN(C[C@@H](C)CCC#N)C2CC2)o1 ZINC000602442111 349533474 /nfs/dbraw/zinc/53/34/74/349533474.db2.gz VIKQTZWXTVMKQJ-LBPRGKRZSA-N 0 3 246.354 3.492 20 30 BGEDHN CCC(CC)CN(CC)Cc1cccc(C#N)n1 ZINC000602445231 349546099 /nfs/dbraw/zinc/54/60/99/349546099.db2.gz USGPQLADEZISFR-UHFFFAOYSA-N 0 3 245.370 3.211 20 30 BGEDHN Cc1cc([C@@H]2CCCN2C[C@@H](C)CCC#N)on1 ZINC000602448983 349549701 /nfs/dbraw/zinc/54/97/01/349549701.db2.gz XKKBPXLQQRJNOI-AAEUAGOBSA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@H]2CCCN2C[C@H](C)CCC#N)on1 ZINC000602448984 349549925 /nfs/dbraw/zinc/54/99/25/349549925.db2.gz XKKBPXLQQRJNOI-DGCLKSJQSA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@H]2CCCN2C[C@@H](C)CCC#N)on1 ZINC000602448985 349549518 /nfs/dbraw/zinc/54/95/18/349549518.db2.gz XKKBPXLQQRJNOI-WCQYABFASA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@@H]2CCCN2C[C@H](C)CCC#N)on1 ZINC000602448986 349549337 /nfs/dbraw/zinc/54/93/37/349549337.db2.gz XKKBPXLQQRJNOI-YPMHNXCESA-N 0 3 247.342 3.060 20 30 BGEDHN CC(C)C1(CN(CCC#N)CC2CC2)CC1 ZINC000602465279 349538949 /nfs/dbraw/zinc/53/89/49/349538949.db2.gz NPUWCUIMHOKMHB-UHFFFAOYSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)CCN(CCC#N)C[C@@H](C)CCC#N ZINC000602465542 349539083 /nfs/dbraw/zinc/53/90/83/349539083.db2.gz NZFHITKLNFRCSS-AWEZNQCLSA-N 0 3 235.375 3.188 20 30 BGEDHN CC(C)CCN(CCC#N)C[C@H](C)CCC#N ZINC000602465543 349539022 /nfs/dbraw/zinc/53/90/22/349539022.db2.gz NZFHITKLNFRCSS-CQSZACIVSA-N 0 3 235.375 3.188 20 30 BGEDHN C[C@H](CCC#N)CN(CCC#N)CC(C)(C)C ZINC000602466574 349539694 /nfs/dbraw/zinc/53/96/94/349539694.db2.gz XUSDGNOXQRBWSY-CYBMUJFWSA-N 0 3 235.375 3.188 20 30 BGEDHN C[C@@H](CCC#N)CN(CCC#N)CC(C)(C)C ZINC000602466576 349540237 /nfs/dbraw/zinc/54/02/37/349540237.db2.gz XUSDGNOXQRBWSY-ZDUSSCGKSA-N 0 3 235.375 3.188 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2cccc(F)c2C1 ZINC000602469860 349541164 /nfs/dbraw/zinc/54/11/64/349541164.db2.gz FLTQMYMROCDERJ-GFCCVEGCSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2cccc(F)c2C1 ZINC000602469862 349540862 /nfs/dbraw/zinc/54/08/62/349540862.db2.gz FLTQMYMROCDERJ-LBPRGKRZSA-N 0 3 246.329 3.124 20 30 BGEDHN CC[C@H]1CCCCCN1Cc1cccc(C#N)n1 ZINC000602471008 369792683 /nfs/dbraw/zinc/79/26/83/369792683.db2.gz BFBGSJLNCVLZTE-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CC[C@@H]1CCCCCN1Cc1cccc(C#N)n1 ZINC000602471009 369793523 /nfs/dbraw/zinc/79/35/23/369793523.db2.gz BFBGSJLNCVLZTE-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN C=CCCCCCN(C)Cc1cccc(C#N)n1 ZINC000602471911 349543226 /nfs/dbraw/zinc/54/32/26/349543226.db2.gz DALNMTZTKBMMSC-UHFFFAOYSA-N 0 3 243.354 3.131 20 30 BGEDHN C[C@@H](CCC#N)CN1CC=C(C(F)(F)F)CC1 ZINC000602473375 349544250 /nfs/dbraw/zinc/54/42/50/349544250.db2.gz GKZNXYVDYGWDGN-JTQLQIEISA-N 0 3 246.276 3.121 20 30 BGEDHN C[C@H](CCC#N)CN1CC=C(C(F)(F)F)CC1 ZINC000602473381 349544139 /nfs/dbraw/zinc/54/41/39/349544139.db2.gz GKZNXYVDYGWDGN-SNVBAGLBSA-N 0 3 246.276 3.121 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2ccsc2C1 ZINC000602473504 349543730 /nfs/dbraw/zinc/54/37/30/349543730.db2.gz UNFOCHVHKLTAES-LLVKDONJSA-N 0 3 234.368 3.046 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2ccsc2C1 ZINC000602473511 349544078 /nfs/dbraw/zinc/54/40/78/349544078.db2.gz UNFOCHVHKLTAES-NSHDSACASA-N 0 3 234.368 3.046 20 30 BGEDHN C[C@H](CCC#N)CNc1cccc(CN(C)C)c1 ZINC000602485974 349568132 /nfs/dbraw/zinc/56/81/32/349568132.db2.gz WGZVXZDGIQNPGF-CYBMUJFWSA-N 0 3 245.370 3.100 20 30 BGEDHN C[C@@H](CCC#N)CNc1cccc(CN(C)C)c1 ZINC000602485976 349567937 /nfs/dbraw/zinc/56/79/37/349567937.db2.gz WGZVXZDGIQNPGF-ZDUSSCGKSA-N 0 3 245.370 3.100 20 30 BGEDHN N#CC1CCC(NCc2ccc(Cl)o2)CC1 ZINC000602502993 349560427 /nfs/dbraw/zinc/56/04/27/349560427.db2.gz JTVBEWOHCLAOIB-UHFFFAOYSA-N 0 3 238.718 3.105 20 30 BGEDHN CCCC[C@@H](CC)CNCc1cccc(C#N)n1 ZINC000602504350 369797668 /nfs/dbraw/zinc/79/76/68/369797668.db2.gz MRZAUNKSMZVGSM-CYBMUJFWSA-N 0 3 245.370 3.259 20 30 BGEDHN CCCC[C@H](CC)CNCc1cccc(C#N)n1 ZINC000602504352 369797811 /nfs/dbraw/zinc/79/78/11/369797811.db2.gz MRZAUNKSMZVGSM-ZDUSSCGKSA-N 0 3 245.370 3.259 20 30 BGEDHN CC(C)CCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000602505153 369797984 /nfs/dbraw/zinc/79/79/84/369797984.db2.gz UGXYVHCSQSJXBH-CYBMUJFWSA-N 0 3 245.370 3.258 20 30 BGEDHN CC(C)CCC[C@H](C)NCc1cccc(C#N)n1 ZINC000602505155 369799014 /nfs/dbraw/zinc/79/90/14/369799014.db2.gz UGXYVHCSQSJXBH-ZDUSSCGKSA-N 0 3 245.370 3.258 20 30 BGEDHN N#Cc1cccc(CNCCCC2CCCC2)n1 ZINC000602507901 369797707 /nfs/dbraw/zinc/79/77/07/369797707.db2.gz LTFBBSVKZJCSOE-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN CC(C)(C)CC(C)(C)NCc1cccc(C#N)n1 ZINC000602510692 369802012 /nfs/dbraw/zinc/80/20/12/369802012.db2.gz LYHKLWHGBFDXMV-UHFFFAOYSA-N 0 3 245.370 3.258 20 30 BGEDHN N#Cc1cccc(CNCCC2CCCCC2)n1 ZINC000602513661 369802214 /nfs/dbraw/zinc/80/22/14/369802214.db2.gz ZFDSTUIPNAMGIV-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN C[C@H](CCC#N)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000602517314 385799466 /nfs/dbraw/zinc/79/94/66/385799466.db2.gz GEJMPDJPAYOGLU-BZPMIXESSA-N 0 3 246.354 3.432 20 30 BGEDHN C[C@H](CCC#N)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000602517315 385798633 /nfs/dbraw/zinc/79/86/33/385798633.db2.gz GEJMPDJPAYOGLU-DYEKYZERSA-N 0 3 246.354 3.432 20 30 BGEDHN C[C@H](CCC#N)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000602517316 385799337 /nfs/dbraw/zinc/79/93/37/385799337.db2.gz GEJMPDJPAYOGLU-MBNYWOFBSA-N 0 3 246.354 3.432 20 30 BGEDHN C[C@H](CCC#N)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000602517317 385798925 /nfs/dbraw/zinc/79/89/25/385798925.db2.gz GEJMPDJPAYOGLU-YRGRVCCFSA-N 0 3 246.354 3.432 20 30 BGEDHN Cc1csc([C@H](C)NC2CCC(C#N)CC2)n1 ZINC000602531774 349579978 /nfs/dbraw/zinc/57/99/78/349579978.db2.gz JUYVRRDMLZCWNO-UNXYVOJBSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1csc([C@@H](C)NC2CCC(C#N)CC2)n1 ZINC000602531775 349580453 /nfs/dbraw/zinc/58/04/53/349580453.db2.gz JUYVRRDMLZCWNO-VOMCLLRMSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1csc([C@@H](C)NC[C@@H](C)CCC#N)n1 ZINC000602535419 349602806 /nfs/dbraw/zinc/60/28/06/349602806.db2.gz YVGZJUILPFAXGE-GXSJLCMTSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1csc([C@H](C)NC[C@H](C)CCC#N)n1 ZINC000602535422 349603135 /nfs/dbraw/zinc/60/31/35/349603135.db2.gz YVGZJUILPFAXGE-KOLCDFICSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1csc([C@@H](C)NC[C@H](C)CCC#N)n1 ZINC000602535423 349602857 /nfs/dbraw/zinc/60/28/57/349602857.db2.gz YVGZJUILPFAXGE-MWLCHTKSSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1csc([C@H](C)NC[C@@H](C)CCC#N)n1 ZINC000602535424 349602820 /nfs/dbraw/zinc/60/28/20/349602820.db2.gz YVGZJUILPFAXGE-ONGXEEELSA-N 0 3 237.372 3.042 20 30 BGEDHN CC1CCC(C)(NCc2cccc(C#N)n2)CC1 ZINC000602536682 369808879 /nfs/dbraw/zinc/80/88/79/369808879.db2.gz JIEYSQZXCLQSCS-UHFFFAOYSA-N 0 3 243.354 3.012 20 30 BGEDHN CC(C)(C)CCCCNCc1cccc(C#N)n1 ZINC000602539611 369808845 /nfs/dbraw/zinc/80/88/45/369808845.db2.gz SEFXCRFXPGDLBQ-UHFFFAOYSA-N 0 3 245.370 3.259 20 30 BGEDHN Cc1nc([C@H](C)NC2CCC(C#N)CC2)cs1 ZINC000602540830 349605515 /nfs/dbraw/zinc/60/55/15/349605515.db2.gz KONBXMRYYOOZEW-GCVQQVDUSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1nc([C@@H](C)NC2CCC(C#N)CC2)cs1 ZINC000602540834 349605577 /nfs/dbraw/zinc/60/55/77/349605577.db2.gz KONBXMRYYOOZEW-OIKLOGQESA-N 0 3 249.383 3.185 20 30 BGEDHN CC1(C)CCC(NCc2cccc(C#N)n2)CC1 ZINC000602550230 369810254 /nfs/dbraw/zinc/81/02/54/369810254.db2.gz JIUVBYHCQFCVKK-UHFFFAOYSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@H](NC[C@H](C)CCC#N)c1nccs1 ZINC000602550904 349592354 /nfs/dbraw/zinc/59/23/54/349592354.db2.gz FNBWLYBOWWFSIJ-GHMZBOCLSA-N 0 3 237.372 3.124 20 30 BGEDHN CC[C@H](NC[C@H](C)CCC#N)c1nccs1 ZINC000602550905 349591768 /nfs/dbraw/zinc/59/17/68/349591768.db2.gz FNBWLYBOWWFSIJ-MNOVXSKESA-N 0 3 237.372 3.124 20 30 BGEDHN CC[C@H](NC[C@@H](C)CCC#N)c1nccs1 ZINC000602550906 349592347 /nfs/dbraw/zinc/59/23/47/349592347.db2.gz FNBWLYBOWWFSIJ-QWRGUYRKSA-N 0 3 237.372 3.124 20 30 BGEDHN CC[C@@H](NC[C@@H](C)CCC#N)c1nccs1 ZINC000602550907 349592949 /nfs/dbraw/zinc/59/29/49/349592949.db2.gz FNBWLYBOWWFSIJ-WDEREUQCSA-N 0 3 237.372 3.124 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602551404 343912767 /nfs/dbraw/zinc/91/27/67/343912767.db2.gz JRTHELJKNPTLNU-CHWSQXEVSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H](NCc1cccc(C#N)n1)C1CCCCC1 ZINC000602551613 369812260 /nfs/dbraw/zinc/81/22/60/369812260.db2.gz QMOTURXJLXXNKL-GFCCVEGCSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H](NCc1cccc(C#N)n1)C1CCCCC1 ZINC000602551614 369812455 /nfs/dbraw/zinc/81/24/55/369812455.db2.gz QMOTURXJLXXNKL-LBPRGKRZSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602551725 369812629 /nfs/dbraw/zinc/81/26/29/369812629.db2.gz JRTHELJKNPTLNU-OLZOCXBDSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602551726 343911150 /nfs/dbraw/zinc/91/11/50/343911150.db2.gz JRTHELJKNPTLNU-QWHCGFSZSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602551727 369812638 /nfs/dbraw/zinc/81/26/38/369812638.db2.gz JRTHELJKNPTLNU-STQMWFEESA-N 0 3 243.354 3.012 20 30 BGEDHN Cc1noc(C)c1[C@H](C)NC1CCC(C#N)CC1 ZINC000602552221 349593629 /nfs/dbraw/zinc/59/36/29/349593629.db2.gz HCRXNCUHYKKKJF-ALXWSUNGSA-N 0 3 247.342 3.024 20 30 BGEDHN Cc1noc(C)c1[C@@H](C)NC1CCC(C#N)CC1 ZINC000602552222 349593588 /nfs/dbraw/zinc/59/35/88/349593588.db2.gz HCRXNCUHYKKKJF-UHEGKEBESA-N 0 3 247.342 3.024 20 30 BGEDHN CC[C@@H](NC1CCC(C#N)CC1)c1nccs1 ZINC000602554513 349596028 /nfs/dbraw/zinc/59/60/28/349596028.db2.gz ZHWXGBCEVSEUGD-HTAVTVPLSA-N 0 3 249.383 3.266 20 30 BGEDHN CC[C@H](NC1CCC(C#N)CC1)c1nccs1 ZINC000602554515 349596201 /nfs/dbraw/zinc/59/62/01/349596201.db2.gz ZHWXGBCEVSEUGD-MCIGGMRASA-N 0 3 249.383 3.266 20 30 BGEDHN C[C@H](CCC(C)(C)C)NCc1cccc(C#N)n1 ZINC000602557163 369812239 /nfs/dbraw/zinc/81/22/39/369812239.db2.gz NHJKOJCWWJBCJG-GFCCVEGCSA-N 0 3 245.370 3.258 20 30 BGEDHN C[C@@H](CCC(C)(C)C)NCc1cccc(C#N)n1 ZINC000602557164 369812160 /nfs/dbraw/zinc/81/21/60/369812160.db2.gz NHJKOJCWWJBCJG-LBPRGKRZSA-N 0 3 245.370 3.258 20 30 BGEDHN C[C@H](CCC#N)CNC1(c2ccccc2F)CC1 ZINC000602559340 349599363 /nfs/dbraw/zinc/59/93/63/349599363.db2.gz YIGRUVGRFSWFFN-GFCCVEGCSA-N 0 3 246.329 3.344 20 30 BGEDHN C[C@@H](CCC#N)CNC1(c2ccccc2F)CC1 ZINC000602559342 349599129 /nfs/dbraw/zinc/59/91/29/349599129.db2.gz YIGRUVGRFSWFFN-LBPRGKRZSA-N 0 3 246.329 3.344 20 30 BGEDHN CCCC1(CNCc2cccc(C#N)n2)CCC1 ZINC000602567640 369813670 /nfs/dbraw/zinc/81/36/70/369813670.db2.gz IZGDQNLAUFJANP-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN CCC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602568020 369813830 /nfs/dbraw/zinc/81/38/30/369813830.db2.gz MMOYZCIDZASNJJ-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN CC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602568266 369813603 /nfs/dbraw/zinc/81/36/03/369813603.db2.gz IOMDWJHORVAZOD-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN CC1(C)CCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602569747 343916619 /nfs/dbraw/zinc/91/66/19/343916619.db2.gz RTXNVCDACVSYKM-AWEZNQCLSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602569748 369813699 /nfs/dbraw/zinc/81/36/99/369813699.db2.gz RTXNVCDACVSYKM-CQSZACIVSA-N 0 3 243.354 3.012 20 30 BGEDHN CC(C)CC(C)(C)CNCc1cccc(C#N)n1 ZINC000602572009 369816181 /nfs/dbraw/zinc/81/61/81/369816181.db2.gz IQQXIEQROJYNGL-UHFFFAOYSA-N 0 3 245.370 3.115 20 30 BGEDHN CCCC[C@@H](CCC)NCc1cccc(C#N)n1 ZINC000602572155 369816072 /nfs/dbraw/zinc/81/60/72/369816072.db2.gz YHVYXGLUQHHLFG-CYBMUJFWSA-N 0 3 245.370 3.402 20 30 BGEDHN CCCC[C@H](CCC)NCc1cccc(C#N)n1 ZINC000602572156 369816493 /nfs/dbraw/zinc/81/64/93/369816493.db2.gz YHVYXGLUQHHLFG-ZDUSSCGKSA-N 0 3 245.370 3.402 20 30 BGEDHN CCC(CC)(CC)CNCc1cccc(C#N)n1 ZINC000602572389 349622453 /nfs/dbraw/zinc/62/24/53/349622453.db2.gz YYWVOQICEWIQBC-UHFFFAOYSA-N 0 3 245.370 3.259 20 30 BGEDHN C[C@@H](CCC#N)CNCc1nc(C2CC2)cs1 ZINC000602572655 349622650 /nfs/dbraw/zinc/62/26/50/349622650.db2.gz SPOVLBZCOWXNTP-JTQLQIEISA-N 0 3 249.383 3.050 20 30 BGEDHN C[C@H](CCC#N)CNCc1nc(C2CC2)cs1 ZINC000602572758 349622564 /nfs/dbraw/zinc/62/25/64/349622564.db2.gz SPOVLBZCOWXNTP-SNVBAGLBSA-N 0 3 249.383 3.050 20 30 BGEDHN Cc1cnc([C@H](C)NC2CCC(C#N)CC2)s1 ZINC000602573458 349623107 /nfs/dbraw/zinc/62/31/07/349623107.db2.gz QFQHTKZMBXIRDP-UNXYVOJBSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1cnc([C@@H](C)NC2CCC(C#N)CC2)s1 ZINC000602573461 349623019 /nfs/dbraw/zinc/62/30/19/349623019.db2.gz QFQHTKZMBXIRDP-VOMCLLRMSA-N 0 3 249.383 3.185 20 30 BGEDHN Cc1cc(C)nc(NC[C@@H](C)CCC#N)c1 ZINC000602574020 349622944 /nfs/dbraw/zinc/62/29/44/349622944.db2.gz DIRATMIDCNYYFS-JTQLQIEISA-N 0 3 217.316 3.050 20 30 BGEDHN Cc1cc(C)nc(NC[C@H](C)CCC#N)c1 ZINC000602574021 349623501 /nfs/dbraw/zinc/62/35/01/349623501.db2.gz DIRATMIDCNYYFS-SNVBAGLBSA-N 0 3 217.316 3.050 20 30 BGEDHN Cc1cc(C)nc(NC2CCC(C#N)CC2)c1 ZINC000602574642 349624207 /nfs/dbraw/zinc/62/42/07/349624207.db2.gz KSSIMODEWJKNII-UHFFFAOYSA-N 0 3 229.327 3.193 20 30 BGEDHN Cc1ccc(CN2CCC(CC#N)CC2)c(F)c1 ZINC000602595455 349643818 /nfs/dbraw/zinc/64/38/18/349643818.db2.gz ADHCNZNADCWTDV-UHFFFAOYSA-N 0 3 246.329 3.260 20 30 BGEDHN Cc1scc(CN2CCC(CC#N)CC2)c1C ZINC000602596987 349644416 /nfs/dbraw/zinc/64/44/16/349644416.db2.gz PEQSZPINIOYFSS-UHFFFAOYSA-N 0 3 248.395 3.491 20 30 BGEDHN CC(C)O[C@@H](CNCCCC#N)c1ccccc1 ZINC000602605223 349627307 /nfs/dbraw/zinc/62/73/07/349627307.db2.gz VEGSLZXMGVPONU-HNNXBMFYSA-N 0 3 246.354 3.046 20 30 BGEDHN CC(C)O[C@H](CNCCCC#N)c1ccccc1 ZINC000602605224 349627515 /nfs/dbraw/zinc/62/75/15/349627515.db2.gz VEGSLZXMGVPONU-OAHLLOKOSA-N 0 3 246.354 3.046 20 30 BGEDHN Cc1scc(CN2CCC(C)(C#N)CC2)c1C ZINC000602605715 349628060 /nfs/dbraw/zinc/62/80/60/349628060.db2.gz KPNSEPIRHCZRCD-UHFFFAOYSA-N 0 3 248.395 3.491 20 30 BGEDHN CC(C)(C#N)CNC1CCc2ccccc2CC1 ZINC000602607101 349629088 /nfs/dbraw/zinc/62/90/88/349629088.db2.gz GZZSCXJMBPVADR-UHFFFAOYSA-N 0 3 242.366 3.073 20 30 BGEDHN C[C@H](C#N)CNC1CCC(=C2CCC2)CC1 ZINC000602607119 349629373 /nfs/dbraw/zinc/62/93/73/349629373.db2.gz HDHDJJJUNYLAEL-LLVKDONJSA-N 0 3 218.344 3.159 20 30 BGEDHN C[C@@H](C#N)CNC1CCC(=C2CCC2)CC1 ZINC000602607120 349629074 /nfs/dbraw/zinc/62/90/74/349629074.db2.gz HDHDJJJUNYLAEL-NSHDSACASA-N 0 3 218.344 3.159 20 30 BGEDHN CC(C)C1(CN2CCC[C@](C)(C#N)C2)CC1 ZINC000602607314 349629999 /nfs/dbraw/zinc/62/99/99/349629999.db2.gz IEUQICUXOCCCPZ-CYBMUJFWSA-N 0 3 220.360 3.048 20 30 BGEDHN CC(C)C1(CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000602607315 349629889 /nfs/dbraw/zinc/62/98/89/349629889.db2.gz IEUQICUXOCCCPZ-ZDUSSCGKSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000602607433 349630333 /nfs/dbraw/zinc/63/03/33/349630333.db2.gz JSXAIEVJPFYKBP-QEJZJMRPSA-N 0 3 242.366 3.318 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000602607434 349629950 /nfs/dbraw/zinc/62/99/50/349629950.db2.gz JSXAIEVJPFYKBP-SNPRPXQTSA-N 0 3 242.366 3.318 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@@H]1C[C@H]1c1cccs1 ZINC000602607481 349629613 /nfs/dbraw/zinc/62/96/13/349629613.db2.gz LFIRRNRRIMJYMD-GRYCIOLGSA-N 0 3 248.395 3.379 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@@H]1C[C@H]1c1cccs1 ZINC000602607482 349630250 /nfs/dbraw/zinc/63/02/50/349630250.db2.gz LFIRRNRRIMJYMD-SDDRHHMPSA-N 0 3 248.395 3.379 20 30 BGEDHN CC1=C(C)C[C@H]([C@H](C)NC[C@H](C)C#N)CC1 ZINC000602608129 349630961 /nfs/dbraw/zinc/63/09/61/349630961.db2.gz PGSIKDOAWAQKQL-DDTOSNHZSA-N 0 3 220.360 3.261 20 30 BGEDHN CC1=C(C)C[C@H]([C@@H](C)NC[C@H](C)C#N)CC1 ZINC000602608130 349631203 /nfs/dbraw/zinc/63/12/03/349631203.db2.gz PGSIKDOAWAQKQL-LERXQTSPSA-N 0 3 220.360 3.261 20 30 BGEDHN CC1=C(C)C[C@H]([C@H](C)NC[C@@H](C)C#N)CC1 ZINC000602608131 349631061 /nfs/dbraw/zinc/63/10/61/349631061.db2.gz PGSIKDOAWAQKQL-LEWSCRJBSA-N 0 3 220.360 3.261 20 30 BGEDHN CC1=C(C)C[C@H]([C@@H](C)NC[C@@H](C)C#N)CC1 ZINC000602608132 349631175 /nfs/dbraw/zinc/63/11/75/349631175.db2.gz PGSIKDOAWAQKQL-ZLKJLUDKSA-N 0 3 220.360 3.261 20 30 BGEDHN CCC[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602611006 343935128 /nfs/dbraw/zinc/93/51/28/343935128.db2.gz CATGXTSQGASVKZ-HNNXBMFYSA-N 0 3 243.354 3.108 20 30 BGEDHN CCC[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602611008 369827675 /nfs/dbraw/zinc/82/76/75/369827675.db2.gz CATGXTSQGASVKZ-OAHLLOKOSA-N 0 3 243.354 3.108 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602612226 349635660 /nfs/dbraw/zinc/63/56/60/349635660.db2.gz OMVFGCMSKSUFHX-ARFHVFGLSA-N 0 3 242.366 3.462 20 30 BGEDHN CC[C@H](CC#N)NC[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602612228 349635396 /nfs/dbraw/zinc/63/53/96/349635396.db2.gz OMVFGCMSKSUFHX-BZUAXINKSA-N 0 3 242.366 3.462 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613850 349637348 /nfs/dbraw/zinc/63/73/48/349637348.db2.gz XLDQJUZJQWSBNA-OEAJRASXSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613852 349637471 /nfs/dbraw/zinc/63/74/71/349637471.db2.gz XLDQJUZJQWSBNA-OJLVUWQFSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613853 349637261 /nfs/dbraw/zinc/63/72/61/349637261.db2.gz XLDQJUZJQWSBNA-TUUVXOQKSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613855 349637484 /nfs/dbraw/zinc/63/74/84/349637484.db2.gz XLDQJUZJQWSBNA-UKMLZYKCSA-N 0 3 242.366 3.460 20 30 BGEDHN CC[C@@H](CC#N)NC1CCc2ccccc2CC1 ZINC000602614418 349637397 /nfs/dbraw/zinc/63/73/97/349637397.db2.gz YMQTXPZLTMQDHT-HNNXBMFYSA-N 0 3 242.366 3.216 20 30 BGEDHN CC[C@H](CC#N)NC1CCc2ccccc2CC1 ZINC000602614419 349637313 /nfs/dbraw/zinc/63/73/13/349637313.db2.gz YMQTXPZLTMQDHT-OAHLLOKOSA-N 0 3 242.366 3.216 20 30 BGEDHN CC(C)(C#N)CNC[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602617089 349639083 /nfs/dbraw/zinc/63/90/83/349639083.db2.gz XGNWZCBGUVSYEF-GDBMZVCRSA-N 0 3 242.366 3.320 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)CC1 ZINC000602625664 343937466 /nfs/dbraw/zinc/93/74/66/343937466.db2.gz GBHISZHUPSUTCA-CHWSQXEVSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)CC1 ZINC000602625665 369830157 /nfs/dbraw/zinc/83/01/57/369830157.db2.gz GBHISZHUPSUTCA-OLZOCXBDSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)CC1 ZINC000602625666 369830704 /nfs/dbraw/zinc/83/07/04/369830704.db2.gz GBHISZHUPSUTCA-QWHCGFSZSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H]1CCC[C@H](NCc2cccc(C#N)n2)CC1 ZINC000602625667 369831129 /nfs/dbraw/zinc/83/11/29/369831129.db2.gz GBHISZHUPSUTCA-STQMWFEESA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602627247 343938135 /nfs/dbraw/zinc/93/81/35/343938135.db2.gz PLQJCTHTEZMXPK-GFCCVEGCSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602627248 369830983 /nfs/dbraw/zinc/83/09/83/369830983.db2.gz PLQJCTHTEZMXPK-LBPRGKRZSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@H](CNCC1(C#N)CC1)C1CCCCC1 ZINC000602641375 349653919 /nfs/dbraw/zinc/65/39/19/349653919.db2.gz AKGDBJFCHFXAJD-GFCCVEGCSA-N 0 3 220.360 3.096 20 30 BGEDHN C[C@@H](CNCC1(C#N)CC1)C1CCCCC1 ZINC000602641376 349654037 /nfs/dbraw/zinc/65/40/37/349654037.db2.gz AKGDBJFCHFXAJD-LBPRGKRZSA-N 0 3 220.360 3.096 20 30 BGEDHN CCC[C@H](NCC1(C#N)CC1)[C@H]1CC1(C)C ZINC000602641422 349653642 /nfs/dbraw/zinc/65/36/42/349653642.db2.gz BABNCTLPNUJULN-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CC1)[C@@H]1CC1(C)C ZINC000602641425 349653816 /nfs/dbraw/zinc/65/38/16/349653816.db2.gz BABNCTLPNUJULN-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN CCC[C@H](NCC1(C#N)CC1)[C@@H]1CC1(C)C ZINC000602641427 349653786 /nfs/dbraw/zinc/65/37/86/349653786.db2.gz BABNCTLPNUJULN-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN CCC[C@@H](NCC1(C#N)CC1)[C@H]1CC1(C)C ZINC000602641430 349654068 /nfs/dbraw/zinc/65/40/68/349654068.db2.gz BABNCTLPNUJULN-VXGBXAGGSA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@@]1(CNCC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000602642054 349654550 /nfs/dbraw/zinc/65/45/50/349654550.db2.gz HLZVEJYHMQVPIW-GJZGRUSLSA-N 0 3 240.350 3.074 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602642368 349654554 /nfs/dbraw/zinc/65/45/54/349654554.db2.gz KNFKYMIUMQXQNX-QEJZJMRPSA-N 0 3 240.350 3.072 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602642369 349654460 /nfs/dbraw/zinc/65/44/60/349654460.db2.gz KNFKYMIUMQXQNX-SNPRPXQTSA-N 0 3 240.350 3.072 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000602642378 349654486 /nfs/dbraw/zinc/65/44/86/349654486.db2.gz KWRDEDSICATQIK-ABXWRUBCSA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@H]1CC2CCC1CC2 ZINC000602642379 349654652 /nfs/dbraw/zinc/65/46/52/349654652.db2.gz KWRDEDSICATQIK-BLYZHGLHSA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@H]1CC2CCC1CC2 ZINC000602642380 349654747 /nfs/dbraw/zinc/65/47/47/349654747.db2.gz KWRDEDSICATQIK-GFJIZPEISA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000602642381 349654413 /nfs/dbraw/zinc/65/44/13/349654413.db2.gz KWRDEDSICATQIK-RYSNWHEDSA-N 0 3 232.371 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602643990 349656336 /nfs/dbraw/zinc/65/63/36/349656336.db2.gz UGFUJBHBUSJSQQ-GRYCIOLGSA-N 0 3 246.379 3.133 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602643991 349656030 /nfs/dbraw/zinc/65/60/30/349656030.db2.gz UGFUJBHBUSJSQQ-SDDRHHMPSA-N 0 3 246.379 3.133 20 30 BGEDHN CC1=C(C)C[C@@H]([C@H](C)NCC2(C#N)CC2)CC1 ZINC000602644166 349656300 /nfs/dbraw/zinc/65/63/00/349656300.db2.gz WKJKWOOXHRLZQW-KBPBESRZSA-N 0 3 232.371 3.405 20 30 BGEDHN CC1=C(C)C[C@@H]([C@@H](C)NCC2(C#N)CC2)CC1 ZINC000602644167 349656008 /nfs/dbraw/zinc/65/60/08/349656008.db2.gz WKJKWOOXHRLZQW-KGLIPLIRSA-N 0 3 232.371 3.405 20 30 BGEDHN CC1=C(C)C[C@H]([C@H](C)NCC2(C#N)CC2)CC1 ZINC000602644168 349656371 /nfs/dbraw/zinc/65/63/71/349656371.db2.gz WKJKWOOXHRLZQW-UONOGXRCSA-N 0 3 232.371 3.405 20 30 BGEDHN CC1=C(C)C[C@H]([C@@H](C)NCC2(C#N)CC2)CC1 ZINC000602644169 349656074 /nfs/dbraw/zinc/65/60/74/349656074.db2.gz WKJKWOOXHRLZQW-ZIAGYGMSSA-N 0 3 232.371 3.405 20 30 BGEDHN N#CC1(CNC2CCC(=C3CCC3)CC2)CC1 ZINC000602644656 349656686 /nfs/dbraw/zinc/65/66/86/349656686.db2.gz ZYSUTASBNJTXCQ-UHFFFAOYSA-N 0 3 230.355 3.303 20 30 BGEDHN C[C@H](CCC#N)CN1CCC=C(c2ccco2)C1 ZINC000602648527 349658392 /nfs/dbraw/zinc/65/83/92/349658392.db2.gz BIQKMKIYNNVYCQ-CYBMUJFWSA-N 0 3 244.338 3.309 20 30 BGEDHN C[C@@H](CCC#N)CN1CCC=C(c2ccco2)C1 ZINC000602648529 349658663 /nfs/dbraw/zinc/65/86/63/349658663.db2.gz BIQKMKIYNNVYCQ-ZDUSSCGKSA-N 0 3 244.338 3.309 20 30 BGEDHN CC[C@H]1CC[C@H](NCc2cccc(C#N)n2)CC1 ZINC000602668956 349685457 /nfs/dbraw/zinc/68/54/57/349685457.db2.gz GVVQKIMATVOOMY-JOCQHMNTSA-N 0 3 243.354 3.012 20 30 BGEDHN CC(C)(C)C(C)(C)CNCc1cccc(C#N)n1 ZINC000602670575 369839790 /nfs/dbraw/zinc/83/97/90/369839790.db2.gz PREOWHSLKSCKHT-UHFFFAOYSA-N 0 3 245.370 3.115 20 30 BGEDHN N#Cc1cccc(CNCC2CCCCCC2)n1 ZINC000602673518 369840103 /nfs/dbraw/zinc/84/01/03/369840103.db2.gz CIHHOOQBOJUEKG-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN C[C@H](CCC#N)CN1CC(c2ccccc2F)C1 ZINC000602675389 349668411 /nfs/dbraw/zinc/66/84/11/349668411.db2.gz IFXMRAZNKBYBGS-GFCCVEGCSA-N 0 3 246.329 3.165 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(c2ccccc2F)C1 ZINC000602675390 349668401 /nfs/dbraw/zinc/66/84/01/349668401.db2.gz IFXMRAZNKBYBGS-LBPRGKRZSA-N 0 3 246.329 3.165 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000602678971 369839946 /nfs/dbraw/zinc/83/99/46/369839946.db2.gz HCAQMDSQKJGYJB-CYBMUJFWSA-N 0 3 243.354 3.178 20 30 BGEDHN CC(C)=CCC[C@H](C)NCc1cccc(C#N)n1 ZINC000602678972 369839695 /nfs/dbraw/zinc/83/96/95/369839695.db2.gz HCAQMDSQKJGYJB-ZDUSSCGKSA-N 0 3 243.354 3.178 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(C)(CC(F)(F)F)C1 ZINC000602689085 349679651 /nfs/dbraw/zinc/67/96/51/349679651.db2.gz QJHYJDFOSHQHSP-JTQLQIEISA-N 0 3 248.292 3.201 20 30 BGEDHN C[C@H](CCC#N)CN1CC(C)(CC(F)(F)F)C1 ZINC000602689087 349679331 /nfs/dbraw/zinc/67/93/31/349679331.db2.gz QJHYJDFOSHQHSP-SNVBAGLBSA-N 0 3 248.292 3.201 20 30 BGEDHN COc1cccc(C)c1CNCC(C)(C)CC#N ZINC000602691256 349688439 /nfs/dbraw/zinc/68/84/39/349688439.db2.gz PPXRDNVUSOGTIW-UHFFFAOYSA-N 0 3 246.354 3.033 20 30 BGEDHN C[C@H](CCC#N)CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000602693228 349689769 /nfs/dbraw/zinc/68/97/69/349689769.db2.gz DGDQELPWUOXQED-BPLDGKMQSA-N 0 3 246.329 3.153 20 30 BGEDHN C[C@H](CCC#N)CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000602693230 349689854 /nfs/dbraw/zinc/68/98/54/349689854.db2.gz DGDQELPWUOXQED-SNPRPXQTSA-N 0 3 246.329 3.153 20 30 BGEDHN C[C@H](CCC#N)CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000602693232 349689899 /nfs/dbraw/zinc/68/98/99/349689899.db2.gz DGDQELPWUOXQED-VHDGCEQUSA-N 0 3 246.329 3.153 20 30 BGEDHN C[C@H](CCC#N)CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000602693233 349689669 /nfs/dbraw/zinc/68/96/69/349689669.db2.gz DGDQELPWUOXQED-YUELXQCFSA-N 0 3 246.329 3.153 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)[C@H]1C[C@H]1C ZINC000602700483 349696069 /nfs/dbraw/zinc/69/60/69/349696069.db2.gz SUJSMCUUOYVNOD-AGIUHOORSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)[C@H]1C[C@@H]1C ZINC000602700484 349696119 /nfs/dbraw/zinc/69/61/19/349696119.db2.gz SUJSMCUUOYVNOD-AVGNSLFASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)[C@@H]1C[C@H]1C ZINC000602700486 349696517 /nfs/dbraw/zinc/69/65/17/349696517.db2.gz SUJSMCUUOYVNOD-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@H](NCC1(C#N)CCCC1)[C@@H]1C[C@@H]1C ZINC000602700487 349696435 /nfs/dbraw/zinc/69/64/35/349696435.db2.gz SUJSMCUUOYVNOD-XQQFMLRXSA-N 0 3 220.360 3.095 20 30 BGEDHN Cc1ccc(CCNCC2(C#N)CCCC2)cc1 ZINC000602700497 349696347 /nfs/dbraw/zinc/69/63/47/349696347.db2.gz TYXCJVZNZGSKFV-UHFFFAOYSA-N 0 3 242.366 3.211 20 30 BGEDHN Cc1scc(CN2CCC[C@H](CC#N)C2)c1C ZINC000602705513 349698802 /nfs/dbraw/zinc/69/88/02/349698802.db2.gz HJKYQHDKVDCJJV-CYBMUJFWSA-N 0 3 248.395 3.491 20 30 BGEDHN Cc1scc(CN2CCC[C@@H](CC#N)C2)c1C ZINC000602705514 349699340 /nfs/dbraw/zinc/69/93/40/349699340.db2.gz HJKYQHDKVDCJJV-ZDUSSCGKSA-N 0 3 248.395 3.491 20 30 BGEDHN C[C@@]1(CN2CC(CC#N)C2)C[C@H]1c1ccccc1 ZINC000602708247 349701513 /nfs/dbraw/zinc/70/15/13/349701513.db2.gz NANSFGSITUBSHO-HOTGVXAUSA-N 0 3 240.350 3.026 20 30 BGEDHN C[C@H](CN1CC(CC#N)C1)C1CCCCC1 ZINC000602709336 349702563 /nfs/dbraw/zinc/70/25/63/349702563.db2.gz QUGWVVZLGWHSNV-GFCCVEGCSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@@H](CN1CC(CC#N)C1)C1CCCCC1 ZINC000602709337 349702644 /nfs/dbraw/zinc/70/26/44/349702644.db2.gz QUGWVVZLGWHSNV-LBPRGKRZSA-N 0 3 220.360 3.048 20 30 BGEDHN C[C@H](CCC#N)CN1CC(Cc2ccsc2)C1 ZINC000602713472 349705406 /nfs/dbraw/zinc/70/54/06/349705406.db2.gz BRRHMUFAPANNHL-GFCCVEGCSA-N 0 3 248.395 3.162 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(Cc2ccsc2)C1 ZINC000602713473 349705539 /nfs/dbraw/zinc/70/55/39/349705539.db2.gz BRRHMUFAPANNHL-LBPRGKRZSA-N 0 3 248.395 3.162 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(C)(c2ccccc2)C1 ZINC000602715072 349706197 /nfs/dbraw/zinc/70/61/97/349706197.db2.gz MVPRGUGMRLWGGY-AWEZNQCLSA-N 0 3 242.366 3.200 20 30 BGEDHN C[C@H](CCC#N)CN1CC(C)(c2ccccc2)C1 ZINC000602715073 349706486 /nfs/dbraw/zinc/70/64/86/349706486.db2.gz MVPRGUGMRLWGGY-CQSZACIVSA-N 0 3 242.366 3.200 20 30 BGEDHN N#CC1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000602718765 349687820 /nfs/dbraw/zinc/68/78/20/349687820.db2.gz LBMMDAWVSLFQOA-UHFFFAOYSA-N 0 3 245.370 3.132 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1CC1(F)F ZINC000602718774 349687710 /nfs/dbraw/zinc/68/77/10/349687710.db2.gz SWBKMMKAPMSUCT-GHMZBOCLSA-N 0 3 242.313 3.094 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CC1(F)F ZINC000602718778 349687641 /nfs/dbraw/zinc/68/76/41/349687641.db2.gz SWBKMMKAPMSUCT-MNOVXSKESA-N 0 3 242.313 3.094 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1CC1(F)F ZINC000602718781 349687508 /nfs/dbraw/zinc/68/75/08/349687508.db2.gz SWBKMMKAPMSUCT-QWRGUYRKSA-N 0 3 242.313 3.094 20 30 BGEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1CC1(F)F ZINC000602718785 349687563 /nfs/dbraw/zinc/68/75/63/349687563.db2.gz SWBKMMKAPMSUCT-WDEREUQCSA-N 0 3 242.313 3.094 20 30 BGEDHN N#CC1(CNC[C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC000602719129 349696960 /nfs/dbraw/zinc/69/69/60/349696960.db2.gz XSPWIQPYVLSBPU-BTTYYORXSA-N 0 3 232.371 3.096 20 30 BGEDHN CC(C)(CCC#N)CN1CC(c2ccccc2)C1 ZINC000602728110 349716722 /nfs/dbraw/zinc/71/67/22/349716722.db2.gz IUEZEFXWGFNAHU-UHFFFAOYSA-N 0 3 242.366 3.416 20 30 BGEDHN C[C@H](CCC#N)CN1CC(c2ccccc2)C1 ZINC000602728346 349716189 /nfs/dbraw/zinc/71/61/89/349716189.db2.gz JMCGRSWETZCJSQ-CYBMUJFWSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(c2ccccc2)C1 ZINC000602728347 349716577 /nfs/dbraw/zinc/71/65/77/349716577.db2.gz JMCGRSWETZCJSQ-ZDUSSCGKSA-N 0 3 228.339 3.026 20 30 BGEDHN C[C@H](CCC#N)CN1CC(Cc2cccs2)C1 ZINC000602729370 349717271 /nfs/dbraw/zinc/71/72/71/349717271.db2.gz JFSVRKVZSXZUEF-GFCCVEGCSA-N 0 3 248.395 3.162 20 30 BGEDHN C[C@@H](CCC#N)CN1CC(Cc2cccs2)C1 ZINC000602729371 349717198 /nfs/dbraw/zinc/71/71/98/349717198.db2.gz JFSVRKVZSXZUEF-LBPRGKRZSA-N 0 3 248.395 3.162 20 30 BGEDHN N#Cc1ccc(CN2CCC(CCF)CC2)cc1 ZINC000602731670 371836822 /nfs/dbraw/zinc/83/68/22/371836822.db2.gz AFRGJTOEMOTDEB-UHFFFAOYSA-N 0 3 246.329 3.130 20 30 BGEDHN C=CCCC(C)(C)CNCc1cccc(C#N)n1 ZINC000602733918 349718820 /nfs/dbraw/zinc/71/88/20/349718820.db2.gz NCKKFTPHCOQLQF-UHFFFAOYSA-N 0 3 243.354 3.035 20 30 BGEDHN N#Cc1cccc(CN2CCC(CCF)CC2)c1 ZINC000602735258 349720730 /nfs/dbraw/zinc/72/07/30/349720730.db2.gz VJGRRQXQAJOYGZ-UHFFFAOYSA-N 0 3 246.329 3.130 20 30 BGEDHN Cc1cc(CN2CCC(C)(F)CC2)ccc1C#N ZINC000602741807 349710009 /nfs/dbraw/zinc/71/00/09/349710009.db2.gz NILSZYIFDLDKFH-UHFFFAOYSA-N 0 3 246.329 3.191 20 30 BGEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000602750823 349730142 /nfs/dbraw/zinc/73/01/42/349730142.db2.gz COXVIWYIUXIYEK-UHFFFAOYSA-N 0 3 240.350 3.084 20 30 BGEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)C2)cc1 ZINC000602752678 349731009 /nfs/dbraw/zinc/73/10/09/349731009.db2.gz YOVCKXFPHWGTLJ-UHFFFAOYSA-N 0 3 242.366 3.330 20 30 BGEDHN C[C@H](CN(C)Cc1cccc(C#N)n1)C(C)(C)C ZINC000602760585 369850483 /nfs/dbraw/zinc/85/04/83/369850483.db2.gz PNXLLSVKWOWRLQ-GFCCVEGCSA-N 0 3 245.370 3.067 20 30 BGEDHN C[C@@H](CN(C)Cc1cccc(C#N)n1)C(C)(C)C ZINC000602760586 369850271 /nfs/dbraw/zinc/85/02/71/369850271.db2.gz PNXLLSVKWOWRLQ-LBPRGKRZSA-N 0 3 245.370 3.067 20 30 BGEDHN CN(CC1(CC#N)CC1)[C@H]1CCc2ccccc21 ZINC000602762591 349733332 /nfs/dbraw/zinc/73/33/32/349733332.db2.gz NMSHYLHGNSTQRL-HNNXBMFYSA-N 0 3 240.350 3.300 20 30 BGEDHN CN(CC1(CC#N)CC1)[C@@H]1CCc2ccccc21 ZINC000602762592 349733709 /nfs/dbraw/zinc/73/37/09/349733709.db2.gz NMSHYLHGNSTQRL-OAHLLOKOSA-N 0 3 240.350 3.300 20 30 BGEDHN C[C@H](CN(C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000602762701 349733305 /nfs/dbraw/zinc/73/33/05/349733305.db2.gz ZCNVFOVFRJDPTB-LLVKDONJSA-N 0 3 234.343 3.265 20 30 BGEDHN C[C@@H](CN(C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000602762702 343988880 /nfs/dbraw/zinc/98/88/80/343988880.db2.gz ZCNVFOVFRJDPTB-NSHDSACASA-N 0 3 234.343 3.265 20 30 BGEDHN CN(CCCc1ccccc1)CC1(CC#N)CC1 ZINC000602763065 349733035 /nfs/dbraw/zinc/73/30/35/349733035.db2.gz MDZBHBCZVGPQNS-UHFFFAOYSA-N 0 3 242.366 3.245 20 30 BGEDHN CCN(CCc1cccs1)CC1(CC#N)CC1 ZINC000602767066 349723180 /nfs/dbraw/zinc/72/31/80/349723180.db2.gz VBCIXCRKDCSRTA-UHFFFAOYSA-N 0 3 248.395 3.306 20 30 BGEDHN CCN(CCc1ccccc1)CC1(CC#N)CC1 ZINC000602767295 349723169 /nfs/dbraw/zinc/72/31/69/349723169.db2.gz SWHAZOZDTGFWEF-UHFFFAOYSA-N 0 3 242.366 3.245 20 30 BGEDHN Cc1ccc(CN(C)CC2(CC#N)CC2)s1 ZINC000602773310 385820280 /nfs/dbraw/zinc/82/02/80/385820280.db2.gz NJEQMVRIPKOWJA-UHFFFAOYSA-N 0 3 234.368 3.182 20 30 BGEDHN C[C@@H](CN(C)CC1(CC#N)CC1)c1ccccc1 ZINC000602773844 349727095 /nfs/dbraw/zinc/72/70/95/349727095.db2.gz WULZTJDSGYYIMU-AWEZNQCLSA-N 0 3 242.366 3.416 20 30 BGEDHN C[C@H](CN(C)CC1(CC#N)CC1)c1ccccc1 ZINC000602773845 349727607 /nfs/dbraw/zinc/72/76/07/349727607.db2.gz WULZTJDSGYYIMU-CQSZACIVSA-N 0 3 242.366 3.416 20 30 BGEDHN N#CCC1(CN2CCCc3sccc3C2)CC1 ZINC000602775320 349728208 /nfs/dbraw/zinc/72/82/08/349728208.db2.gz HMULRZSVRDYMET-UHFFFAOYSA-N 0 3 246.379 3.190 20 30 BGEDHN C[C@H]1CN(CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602776337 349729133 /nfs/dbraw/zinc/72/91/33/349729133.db2.gz FBGFTSSNVYYYJF-DZGCQCFKSA-N 0 3 240.350 3.373 20 30 BGEDHN C[C@@H]1CN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602776338 349729791 /nfs/dbraw/zinc/72/97/91/349729791.db2.gz FBGFTSSNVYYYJF-HIFRSBDPSA-N 0 3 240.350 3.373 20 30 BGEDHN C[C@@H]1CN(CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602776339 349729808 /nfs/dbraw/zinc/72/98/08/349729808.db2.gz FBGFTSSNVYYYJF-UKRRQHHQSA-N 0 3 240.350 3.373 20 30 BGEDHN C[C@H]1CN(CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602776340 349729673 /nfs/dbraw/zinc/72/96/73/349729673.db2.gz FBGFTSSNVYYYJF-ZFWWWQNUSA-N 0 3 240.350 3.373 20 30 BGEDHN C[C@@H]1c2ccccc2CCN1CC1(CC#N)CC1 ZINC000602777471 349743850 /nfs/dbraw/zinc/74/38/50/349743850.db2.gz WPVRGUGNRJQMMJ-CYBMUJFWSA-N 0 3 240.350 3.300 20 30 BGEDHN C[C@H]1c2ccccc2CCN1CC1(CC#N)CC1 ZINC000602777472 349743503 /nfs/dbraw/zinc/74/35/03/349743503.db2.gz WPVRGUGNRJQMMJ-ZDUSSCGKSA-N 0 3 240.350 3.300 20 30 BGEDHN C[C@@H]1Cc2ccccc2CN1CC1(CC#N)CC1 ZINC000602778056 349745230 /nfs/dbraw/zinc/74/52/30/349745230.db2.gz AWFRGCKAJXLQDA-CYBMUJFWSA-N 0 3 240.350 3.127 20 30 BGEDHN C[C@H]1Cc2ccccc2CN1CC1(CC#N)CC1 ZINC000602778058 349744565 /nfs/dbraw/zinc/74/45/65/349744565.db2.gz AWFRGCKAJXLQDA-ZDUSSCGKSA-N 0 3 240.350 3.127 20 30 BGEDHN N#CCC1(CN2CC[C@H]2c2ccccc2)CC1 ZINC000602780494 349745760 /nfs/dbraw/zinc/74/57/60/349745760.db2.gz VKIFOUCJIPZTJC-AWEZNQCLSA-N 0 3 226.323 3.127 20 30 BGEDHN N#CCC1(CN2CC[C@@H]2c2ccccc2)CC1 ZINC000602780498 349746278 /nfs/dbraw/zinc/74/62/78/349746278.db2.gz VKIFOUCJIPZTJC-CQSZACIVSA-N 0 3 226.323 3.127 20 30 BGEDHN N#CCC1(CNC2(c3ccccc3)CCC2)CC1 ZINC000602780833 349747489 /nfs/dbraw/zinc/74/74/89/349747489.db2.gz AFIIYNHXVQUAQU-UHFFFAOYSA-N 0 3 240.350 3.349 20 30 BGEDHN C[C@H](c1cccc(O)c1)N(C)CC1(CC#N)CC1 ZINC000602791320 349734970 /nfs/dbraw/zinc/73/49/70/349734970.db2.gz DVTWFPXYBWJDLS-GFCCVEGCSA-N 0 3 244.338 3.079 20 30 BGEDHN C[C@@H](c1cccc(O)c1)N(C)CC1(CC#N)CC1 ZINC000602791321 349734450 /nfs/dbraw/zinc/73/44/50/349734450.db2.gz DVTWFPXYBWJDLS-LBPRGKRZSA-N 0 3 244.338 3.079 20 30 BGEDHN N#CCC1(CNC2(c3ccc(F)cc3)CC2)CC1 ZINC000602791752 349734532 /nfs/dbraw/zinc/73/45/32/349734532.db2.gz IVWIREXEGRECRP-UHFFFAOYSA-N 0 3 244.313 3.098 20 30 BGEDHN CC(C)(C)C1=CCN(CC2(CC#N)CC2)CC1 ZINC000602795765 349736738 /nfs/dbraw/zinc/73/67/38/349736738.db2.gz ODHUVHRPYLELLC-UHFFFAOYSA-N 0 3 232.371 3.358 20 30 BGEDHN CC[C@@H](c1ccncc1)N(C)CC1(CC#N)CC1 ZINC000602796162 349737795 /nfs/dbraw/zinc/73/77/95/349737795.db2.gz DJGUZAZBGKOKDL-AWEZNQCLSA-N 0 3 243.354 3.158 20 30 BGEDHN CC[C@H](c1ccncc1)N(C)CC1(CC#N)CC1 ZINC000602796165 349737982 /nfs/dbraw/zinc/73/79/82/349737982.db2.gz DJGUZAZBGKOKDL-CQSZACIVSA-N 0 3 243.354 3.158 20 30 BGEDHN C=CCN(CCc1ccco1)CC1(CC#N)CC1 ZINC000602799704 349741130 /nfs/dbraw/zinc/74/11/30/349741130.db2.gz DPTAJSVBWSKPQY-UHFFFAOYSA-N 0 3 244.338 3.004 20 30 BGEDHN CC(C)(NCC1(CC#N)CC1)c1cccc(F)c1 ZINC000602803736 349742865 /nfs/dbraw/zinc/74/28/65/349742865.db2.gz DAVIBNYGQPMNSJ-UHFFFAOYSA-N 0 3 246.329 3.344 20 30 BGEDHN N#CCC1(CNC2(c3cccc(F)c3)CC2)CC1 ZINC000602806242 349769633 /nfs/dbraw/zinc/76/96/33/349769633.db2.gz PTSXODDDCNYLLL-UHFFFAOYSA-N 0 3 244.313 3.098 20 30 BGEDHN CC[C@@H](NCC1(CC#N)CC1)c1c(C)noc1C ZINC000602808146 349753209 /nfs/dbraw/zinc/75/32/09/349753209.db2.gz CMKCMVIXUDIDGI-GFCCVEGCSA-N 0 3 247.342 3.026 20 30 BGEDHN CC[C@H](NCC1(CC#N)CC1)c1c(C)noc1C ZINC000602808147 349753573 /nfs/dbraw/zinc/75/35/73/349753573.db2.gz CMKCMVIXUDIDGI-LBPRGKRZSA-N 0 3 247.342 3.026 20 30 BGEDHN CC(C)(NCC1(CC#N)CC1)c1cccs1 ZINC000602812046 349755832 /nfs/dbraw/zinc/75/58/32/349755832.db2.gz SFJKSBNBQTVPOY-UHFFFAOYSA-N 0 3 234.368 3.267 20 30 BGEDHN Cc1cc(C)cc(CN(C)CC2(CC#N)CC2)c1 ZINC000602816216 349758521 /nfs/dbraw/zinc/75/85/21/349758521.db2.gz CCXKJNHFMXYXOA-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1ccc(C)c(CN(C)CC2(CC#N)CC2)c1 ZINC000602818292 349758978 /nfs/dbraw/zinc/75/89/78/349758978.db2.gz CZNGQOXLCRBTSS-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1ccc2c(c1)CCN(CC1(CC#N)CC1)C2 ZINC000602818490 349759548 /nfs/dbraw/zinc/75/95/48/349759548.db2.gz YMOLKVNQLVRCAZ-UHFFFAOYSA-N 0 3 240.350 3.047 20 30 BGEDHN Cc1cccc2c1CN(CC1(CC#N)CC1)CC2 ZINC000602819712 349760410 /nfs/dbraw/zinc/76/04/10/349760410.db2.gz IGSLFVLJWWAVIX-UHFFFAOYSA-N 0 3 240.350 3.047 20 30 BGEDHN Cc1cc(F)ccc1CN(C)CC1(CC#N)CC1 ZINC000602822747 349763394 /nfs/dbraw/zinc/76/33/94/349763394.db2.gz AKNGHDLDUCFPHY-UHFFFAOYSA-N 0 3 246.329 3.260 20 30 BGEDHN Cc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1F ZINC000602832482 349768543 /nfs/dbraw/zinc/76/85/43/349768543.db2.gz NHIKHCLVZMUWAK-GFCCVEGCSA-N 0 3 246.329 3.479 20 30 BGEDHN Cc1ccccc1CCN(C)CC1(CC#N)CC1 ZINC000602834517 349774687 /nfs/dbraw/zinc/77/46/87/349774687.db2.gz CTNXCCBVGQCREB-UHFFFAOYSA-N 0 3 242.366 3.163 20 30 BGEDHN Cc1ccc(CN(C)CC2(CC#N)CC2)cc1C ZINC000602837305 349776262 /nfs/dbraw/zinc/77/62/62/349776262.db2.gz MAMPBICTIGFOSH-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN Cc1cccc(CN(C)CC2(CC#N)CC2)c1C ZINC000602838126 349777651 /nfs/dbraw/zinc/77/76/51/349777651.db2.gz QZSJSZPOXSAFTR-UHFFFAOYSA-N 0 3 242.366 3.429 20 30 BGEDHN CC(C)(NCC1(CC#N)CC1)c1ccccc1F ZINC000602841137 349779104 /nfs/dbraw/zinc/77/91/04/349779104.db2.gz QFHZXUOKFDCZAM-UHFFFAOYSA-N 0 3 246.329 3.344 20 30 BGEDHN Cc1ccccc1C1(NCC2(CC#N)CC2)CC1 ZINC000602849892 349785907 /nfs/dbraw/zinc/78/59/07/349785907.db2.gz BUJVBXFVCROSEV-UHFFFAOYSA-N 0 3 240.350 3.268 20 30 BGEDHN C[C@H](CC#N)NC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000602868500 349799683 /nfs/dbraw/zinc/79/96/83/349799683.db2.gz BWSDRJZWCADKMX-IIAWOOMASA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@@H](CC#N)NC[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000602868502 349800158 /nfs/dbraw/zinc/80/01/58/349800158.db2.gz BWSDRJZWCADKMX-SQWLQELKSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@H](CC#N)NC[C@@H]1CCCCC1(C)C ZINC000602869776 349800760 /nfs/dbraw/zinc/80/07/60/349800760.db2.gz IHDFDEFSISBPMN-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CC#N)NC[C@H]1CCCCC1(C)C ZINC000602869777 349800788 /nfs/dbraw/zinc/80/07/88/349800788.db2.gz IHDFDEFSISBPMN-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](CC#N)NC[C@@H]1CCCCC1(C)C ZINC000602869778 349800735 /nfs/dbraw/zinc/80/07/35/349800735.db2.gz IHDFDEFSISBPMN-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CC#N)NC[C@H]1CCCCC1(C)C ZINC000602869784 349800827 /nfs/dbraw/zinc/80/08/27/349800827.db2.gz IHDFDEFSISBPMN-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@H](CC#N)N[C@H](C)CCSc1ccccc1 ZINC000602870362 349801528 /nfs/dbraw/zinc/80/15/28/349801528.db2.gz SOQGRZGDPWUDRF-CHWSQXEVSA-N 0 3 248.395 3.449 20 30 BGEDHN C[C@H](CC#N)N[C@@H](C)CCSc1ccccc1 ZINC000602870364 349801695 /nfs/dbraw/zinc/80/16/95/349801695.db2.gz SOQGRZGDPWUDRF-OLZOCXBDSA-N 0 3 248.395 3.449 20 30 BGEDHN C[C@H](CCSc1ccccc1)N[C@@H](C)CC#N ZINC000602870365 349801765 /nfs/dbraw/zinc/80/17/65/349801765.db2.gz SOQGRZGDPWUDRF-QWHCGFSZSA-N 0 3 248.395 3.449 20 30 BGEDHN C[C@@H](CC#N)N[C@@H](C)CCSc1ccccc1 ZINC000602870367 349801669 /nfs/dbraw/zinc/80/16/69/349801669.db2.gz SOQGRZGDPWUDRF-STQMWFEESA-N 0 3 248.395 3.449 20 30 BGEDHN C[C@H](CC#N)NCCCSCc1ccccc1 ZINC000602870456 349801574 /nfs/dbraw/zinc/80/15/74/349801574.db2.gz UEFPMHRTDLZGDB-CYBMUJFWSA-N 0 3 248.395 3.202 20 30 BGEDHN C[C@@H](CC#N)NCCCSCc1ccccc1 ZINC000602870458 349801632 /nfs/dbraw/zinc/80/16/32/349801632.db2.gz UEFPMHRTDLZGDB-ZDUSSCGKSA-N 0 3 248.395 3.202 20 30 BGEDHN N#CCC1(CN2CCC(C3CCC3)CC2)CC1 ZINC000602882611 349791850 /nfs/dbraw/zinc/79/18/50/349791850.db2.gz LMADRBASJQGGDU-UHFFFAOYSA-N 0 3 232.371 3.192 20 30 BGEDHN N#CCC1(CN2CCC(c3ccco3)CC2)CC1 ZINC000602883682 398082046 /nfs/dbraw/zinc/08/20/46/398082046.db2.gz KRLOMYBHIGPULP-UHFFFAOYSA-N 0 3 244.338 3.153 20 30 BGEDHN Cc1ccc2c(c1)CN(CC1(CC#N)CC1)CC2 ZINC000602885505 349792972 /nfs/dbraw/zinc/79/29/72/349792972.db2.gz ZPNUQIQPMHXFHE-UHFFFAOYSA-N 0 3 240.350 3.047 20 30 BGEDHN CC[C@](C)(NCCCC#N)c1ccc(F)cc1 ZINC000602926174 349820580 /nfs/dbraw/zinc/82/05/80/349820580.db2.gz NMIPQIJVOCRBOQ-AWEZNQCLSA-N 0 3 234.318 3.344 20 30 BGEDHN CC[C@@](C)(NCCCC#N)c1ccc(F)cc1 ZINC000602926175 349820600 /nfs/dbraw/zinc/82/06/00/349820600.db2.gz NMIPQIJVOCRBOQ-CQSZACIVSA-N 0 3 234.318 3.344 20 30 BGEDHN Cc1ncc([C@@H](C)NCCC(C)(C)C#N)s1 ZINC000602955759 349830063 /nfs/dbraw/zinc/83/00/63/349830063.db2.gz KZOWAUDDNQCDMY-SECBINFHSA-N 0 3 237.372 3.042 20 30 BGEDHN Cc1ncc([C@H](C)NCCC(C)(C)C#N)s1 ZINC000602955760 349830115 /nfs/dbraw/zinc/83/01/15/349830115.db2.gz KZOWAUDDNQCDMY-VIFPVBQESA-N 0 3 237.372 3.042 20 30 BGEDHN CN(CCC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602977562 349842108 /nfs/dbraw/zinc/84/21/08/349842108.db2.gz DADJKBQSJJDVDN-KBPBESRZSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602977563 349841825 /nfs/dbraw/zinc/84/18/25/349841825.db2.gz DADJKBQSJJDVDN-KGLIPLIRSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602977564 349842029 /nfs/dbraw/zinc/84/20/29/349842029.db2.gz DADJKBQSJJDVDN-UONOGXRCSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977565 349841993 /nfs/dbraw/zinc/84/19/93/349841993.db2.gz DADJKBQSJJDVDN-ZIAGYGMSSA-N 0 3 220.360 3.191 20 30 BGEDHN CC(C)CCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602979571 349844374 /nfs/dbraw/zinc/84/43/74/349844374.db2.gz FYJUAVLGYRVQCZ-CHWSQXEVSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)CCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602979572 349844250 /nfs/dbraw/zinc/84/42/50/349844250.db2.gz FYJUAVLGYRVQCZ-OLZOCXBDSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)CCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602979573 349844502 /nfs/dbraw/zinc/84/45/02/349844502.db2.gz FYJUAVLGYRVQCZ-QWHCGFSZSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)CCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602979574 349844419 /nfs/dbraw/zinc/84/44/19/349844419.db2.gz FYJUAVLGYRVQCZ-STQMWFEESA-N 0 3 208.349 3.047 20 30 BGEDHN CN(CCCCC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602979933 349844449 /nfs/dbraw/zinc/84/44/49/349844449.db2.gz JFUQTERIACCVKM-GHMZBOCLSA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCCC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602979934 349845124 /nfs/dbraw/zinc/84/51/24/349845124.db2.gz JFUQTERIACCVKM-MNOVXSKESA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602979935 349844930 /nfs/dbraw/zinc/84/49/30/349844930.db2.gz JFUQTERIACCVKM-QWRGUYRKSA-N 0 3 248.292 3.343 20 30 BGEDHN CN(CCCCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602979936 349845479 /nfs/dbraw/zinc/84/54/79/349845479.db2.gz JFUQTERIACCVKM-WDEREUQCSA-N 0 3 248.292 3.343 20 30 BGEDHN C=CCCCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602980409 349845067 /nfs/dbraw/zinc/84/50/67/349845067.db2.gz PXOGDSZTWJSKBX-KBPBESRZSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602980410 349845449 /nfs/dbraw/zinc/84/54/49/349845449.db2.gz PXOGDSZTWJSKBX-KGLIPLIRSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602980411 349844783 /nfs/dbraw/zinc/84/47/83/349844783.db2.gz PXOGDSZTWJSKBX-UONOGXRCSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602980412 349845168 /nfs/dbraw/zinc/84/51/68/349845168.db2.gz PXOGDSZTWJSKBX-ZIAGYGMSSA-N 0 3 220.360 3.357 20 30 BGEDHN CN(CCCCC(C)(C)C#N)[C@H]1CCC[C@H]1C#N ZINC000602980630 349846260 /nfs/dbraw/zinc/84/62/60/349846260.db2.gz SKZNXBJFTPXEJG-KBPBESRZSA-N 0 3 247.386 3.331 20 30 BGEDHN CN(CCCCC(C)(C)C#N)[C@H]1CCC[C@@H]1C#N ZINC000602980631 349846123 /nfs/dbraw/zinc/84/61/23/349846123.db2.gz SKZNXBJFTPXEJG-KGLIPLIRSA-N 0 3 247.386 3.331 20 30 BGEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCC[C@H]1C#N ZINC000602980632 349846162 /nfs/dbraw/zinc/84/61/62/349846162.db2.gz SKZNXBJFTPXEJG-UONOGXRCSA-N 0 3 247.386 3.331 20 30 BGEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602980633 349846278 /nfs/dbraw/zinc/84/62/78/349846278.db2.gz SKZNXBJFTPXEJG-ZIAGYGMSSA-N 0 3 247.386 3.331 20 30 BGEDHN CN(C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[C@H]1C#N ZINC000602981667 349831701 /nfs/dbraw/zinc/83/17/01/349831701.db2.gz HTTJYTSWHWSEDF-GRYCIOLGSA-N 0 3 242.313 3.046 20 30 BGEDHN CN(C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[C@@H]1C#N ZINC000602981668 349831673 /nfs/dbraw/zinc/83/16/73/349831673.db2.gz HTTJYTSWHWSEDF-IJLUTSLNSA-N 0 3 242.313 3.046 20 30 BGEDHN CN(C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[C@@H]1C#N ZINC000602981669 349831993 /nfs/dbraw/zinc/83/19/93/349831993.db2.gz HTTJYTSWHWSEDF-UTUOFQBUSA-N 0 3 242.313 3.046 20 30 BGEDHN CN(C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[C@H]1C#N ZINC000602981670 349831809 /nfs/dbraw/zinc/83/18/09/349831809.db2.gz HTTJYTSWHWSEDF-WOPDTQHZSA-N 0 3 242.313 3.046 20 30 BGEDHN CC[C@H](CC(F)F)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602981806 349832655 /nfs/dbraw/zinc/83/26/55/349832655.db2.gz JWXCADZZTTZWPK-GRYCIOLGSA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@H](CC(F)F)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602981807 349832756 /nfs/dbraw/zinc/83/27/56/349832756.db2.gz JWXCADZZTTZWPK-IJLUTSLNSA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@H](CC(F)F)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602981808 349832386 /nfs/dbraw/zinc/83/23/86/349832386.db2.gz JWXCADZZTTZWPK-UTUOFQBUSA-N 0 3 244.329 3.292 20 30 BGEDHN CC[C@H](CC(F)F)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602981809 349832990 /nfs/dbraw/zinc/83/29/90/349832990.db2.gz JWXCADZZTTZWPK-WOPDTQHZSA-N 0 3 244.329 3.292 20 30 BGEDHN CN(CC1CC(C)(C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000602982341 349834050 /nfs/dbraw/zinc/83/40/50/349834050.db2.gz QYTGZYLAEAYBIU-CHWSQXEVSA-N 0 3 220.360 3.047 20 30 BGEDHN CN(CC1CC(C)(C)C1)[C@H]1CCC[C@@H]1C#N ZINC000602982342 349833810 /nfs/dbraw/zinc/83/38/10/349833810.db2.gz QYTGZYLAEAYBIU-OLZOCXBDSA-N 0 3 220.360 3.047 20 30 BGEDHN CN(CC1CC(C)(C)C1)[C@@H]1CCC[C@H]1C#N ZINC000602982343 349834139 /nfs/dbraw/zinc/83/41/39/349834139.db2.gz QYTGZYLAEAYBIU-QWHCGFSZSA-N 0 3 220.360 3.047 20 30 BGEDHN CN(CC1CC(C)(C)C1)[C@H]1CCC[C@H]1C#N ZINC000602982344 349834191 /nfs/dbraw/zinc/83/41/91/349834191.db2.gz QYTGZYLAEAYBIU-STQMWFEESA-N 0 3 220.360 3.047 20 30 BGEDHN CN(CCCC1CCC1)[C@H]1CCC[C@H]1C#N ZINC000602982583 349835073 /nfs/dbraw/zinc/83/50/73/349835073.db2.gz VBYFKVIYKRMEDT-KBPBESRZSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCCC1CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982584 349834939 /nfs/dbraw/zinc/83/49/39/349834939.db2.gz VBYFKVIYKRMEDT-KGLIPLIRSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCCC1CCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982585 349835027 /nfs/dbraw/zinc/83/50/27/349835027.db2.gz VBYFKVIYKRMEDT-UONOGXRCSA-N 0 3 220.360 3.191 20 30 BGEDHN CN(CCCC1CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982586 349834803 /nfs/dbraw/zinc/83/48/03/349834803.db2.gz VBYFKVIYKRMEDT-ZIAGYGMSSA-N 0 3 220.360 3.191 20 30 BGEDHN CCC(CC)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982825 349835371 /nfs/dbraw/zinc/83/53/71/349835371.db2.gz YTEHUUBMOWBQOK-CHWSQXEVSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC(CC)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982826 349834890 /nfs/dbraw/zinc/83/48/90/349834890.db2.gz YTEHUUBMOWBQOK-OLZOCXBDSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC(CC)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982827 349834748 /nfs/dbraw/zinc/83/47/48/349834748.db2.gz YTEHUUBMOWBQOK-QWHCGFSZSA-N 0 3 208.349 3.047 20 30 BGEDHN CCC(CC)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602982828 349835305 /nfs/dbraw/zinc/83/53/05/349835305.db2.gz YTEHUUBMOWBQOK-STQMWFEESA-N 0 3 208.349 3.047 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C)(F)CC1 ZINC000602992608 369868855 /nfs/dbraw/zinc/86/88/55/369868855.db2.gz AJMFJRBYNIZJIP-GFCCVEGCSA-N 0 3 246.329 3.443 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(F)CC1 ZINC000602992609 369867864 /nfs/dbraw/zinc/86/78/64/369867864.db2.gz AJMFJRBYNIZJIP-LBPRGKRZSA-N 0 3 246.329 3.443 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CCC(C)(F)CC1 ZINC000602992997 369867413 /nfs/dbraw/zinc/86/74/13/369867413.db2.gz MVDKIOIPLXBFCJ-UHFFFAOYSA-N 0 3 246.329 3.191 20 30 BGEDHN Cc1ccc(CN2CCC(C)(F)CC2)cc1C#N ZINC000602993062 369868860 /nfs/dbraw/zinc/86/88/60/369868860.db2.gz OVFDWCRIEZJWME-UHFFFAOYSA-N 0 3 246.329 3.191 20 30 BGEDHN CC1(F)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000602993285 488005109 /nfs/dbraw/zinc/00/51/09/488005109.db2.gz WNCOWHBYIQEPDR-UHFFFAOYSA-N 0 3 246.329 3.077 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C)(F)CC1 ZINC000602993393 369867738 /nfs/dbraw/zinc/86/77/38/369867738.db2.gz ZZQNREOASHLUOK-GFCCVEGCSA-N 0 3 246.329 3.443 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C)(F)CC1 ZINC000602993394 369867254 /nfs/dbraw/zinc/86/72/54/369867254.db2.gz ZZQNREOASHLUOK-LBPRGKRZSA-N 0 3 246.329 3.443 20 30 BGEDHN N#CC1(CN2CCC[C@H](C3CCC3)CC2)CC1 ZINC000602999899 349851991 /nfs/dbraw/zinc/85/19/91/349851991.db2.gz POBDTDMFWGTABU-AWEZNQCLSA-N 0 3 232.371 3.192 20 30 BGEDHN N#CC1(CN2CCC[C@@H](C3CCC3)CC2)CC1 ZINC000602999901 349852241 /nfs/dbraw/zinc/85/22/41/349852241.db2.gz POBDTDMFWGTABU-CQSZACIVSA-N 0 3 232.371 3.192 20 30 BGEDHN N#CCCCCN[C@H](CF)c1ccc(F)cc1 ZINC000603020439 349857894 /nfs/dbraw/zinc/85/78/94/349857894.db2.gz GGJJBAYSCFUCTG-CYBMUJFWSA-N 0 3 238.281 3.120 20 30 BGEDHN N#CCCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000603020440 349858639 /nfs/dbraw/zinc/85/86/39/349858639.db2.gz GGJJBAYSCFUCTG-ZDUSSCGKSA-N 0 3 238.281 3.120 20 30 BGEDHN C[C@@]1(C2CCCCC2)CCN1CC1(C#N)CC1 ZINC000603028705 349859256 /nfs/dbraw/zinc/85/92/56/349859256.db2.gz FGCNKUVDKQXWGP-AWEZNQCLSA-N 0 3 232.371 3.335 20 30 BGEDHN C[C@]1(C2CCCCC2)CCN1CC1(C#N)CC1 ZINC000603028721 349859500 /nfs/dbraw/zinc/85/95/00/349859500.db2.gz FGCNKUVDKQXWGP-CQSZACIVSA-N 0 3 232.371 3.335 20 30 BGEDHN C[C@H](CN(C)C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000603053761 411301797 /nfs/dbraw/zinc/30/17/97/411301797.db2.gz FBXPJQIQALBGNZ-CHWSQXEVSA-N 0 3 235.375 3.044 20 30 BGEDHN C[C@H](CN(C)C[C@H](C#N)CCC#N)C(C)(C)C ZINC000603053765 411301714 /nfs/dbraw/zinc/30/17/14/411301714.db2.gz FBXPJQIQALBGNZ-OLZOCXBDSA-N 0 3 235.375 3.044 20 30 BGEDHN C[C@@H](CN(C)C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000603053768 411302181 /nfs/dbraw/zinc/30/21/81/411302181.db2.gz FBXPJQIQALBGNZ-QWHCGFSZSA-N 0 3 235.375 3.044 20 30 BGEDHN C[C@@H](CN(C)C[C@H](C#N)CCC#N)C(C)(C)C ZINC000603053769 411301936 /nfs/dbraw/zinc/30/19/36/411301936.db2.gz FBXPJQIQALBGNZ-STQMWFEESA-N 0 3 235.375 3.044 20 30 BGEDHN C[C@H](CN(C)Cc1ccc(C#N)cn1)C(C)(C)C ZINC000603054485 369876466 /nfs/dbraw/zinc/87/64/66/369876466.db2.gz KDIVBXRNFUBKFW-GFCCVEGCSA-N 0 3 245.370 3.067 20 30 BGEDHN C[C@@H](CN(C)Cc1ccc(C#N)cn1)C(C)(C)C ZINC000603054487 369876669 /nfs/dbraw/zinc/87/66/69/369876669.db2.gz KDIVBXRNFUBKFW-LBPRGKRZSA-N 0 3 245.370 3.067 20 30 BGEDHN C=CCSCCNCc1ccc(SC)o1 ZINC000603421225 349947306 /nfs/dbraw/zinc/94/73/06/349947306.db2.gz SKXAVMWTVOOONT-UHFFFAOYSA-N 0 3 243.397 3.010 20 30 BGEDHN C=CCN1CCc2ccccc2[C@@H]1CC ZINC000603943695 350058037 /nfs/dbraw/zinc/05/80/37/350058037.db2.gz CEEDFGGOHPKGHF-AWEZNQCLSA-N 0 3 201.313 3.182 20 30 BGEDHN C=CCN1CCc2ccccc2[C@H]1CC ZINC000603943698 350057514 /nfs/dbraw/zinc/05/75/14/350057514.db2.gz CEEDFGGOHPKGHF-CQSZACIVSA-N 0 3 201.313 3.182 20 30 BGEDHN C=C1CCN(CCc2ccc(CC)cc2)CC1 ZINC000604383495 350121586 /nfs/dbraw/zinc/12/15/86/350121586.db2.gz IAZNTWGHPQZKCA-UHFFFAOYSA-N 0 3 229.367 3.444 20 30 BGEDHN CCCN(CCCC#N)Cc1ccc(OC)cc1 ZINC000604492850 488049918 /nfs/dbraw/zinc/04/99/18/488049918.db2.gz HRCQZDXGSUJZAI-UHFFFAOYSA-N 0 3 246.354 3.211 20 30 BGEDHN C=CCCCN(C)Cc1cc(C)ccc1OC ZINC000605149599 350258514 /nfs/dbraw/zinc/25/85/14/350258514.db2.gz ACNIQSVKFDQAAY-UHFFFAOYSA-N 0 3 233.355 3.402 20 30 BGEDHN C=CCCCN1CCN(c2ccccc2C)CC1 ZINC000605149604 350258386 /nfs/dbraw/zinc/25/83/86/350258386.db2.gz BNDUMOJDOFFEHO-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C=CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000605149795 350258068 /nfs/dbraw/zinc/25/80/68/350258068.db2.gz SWLHDXCKASKVIP-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C=CCCCN(CC)CCC(F)(F)F ZINC000605150220 350260449 /nfs/dbraw/zinc/26/04/49/350260449.db2.gz MKJIXIQVNKBXRE-UHFFFAOYSA-N 0 3 209.255 3.227 20 30 BGEDHN C=CCN(CC=C)CCSc1ccccc1 ZINC000605150970 350262164 /nfs/dbraw/zinc/26/21/64/350262164.db2.gz NAEVSGVNNXLGQU-UHFFFAOYSA-N 0 3 233.380 3.453 20 30 BGEDHN C=CCCCN(C)Cc1ccccc1OCC ZINC000605151008 350261976 /nfs/dbraw/zinc/26/19/76/350261976.db2.gz UJPJFAYTUJPCFE-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(C)CN1CCS[C@H](c2ccccc2)C1 ZINC000605156323 350264092 /nfs/dbraw/zinc/26/40/92/350264092.db2.gz QYKQMSQUDYMZRP-AWEZNQCLSA-N 0 3 233.380 3.353 20 30 BGEDHN C=C(C)CN1CCS[C@@H](c2ccccc2)C1 ZINC000605156324 350264238 /nfs/dbraw/zinc/26/42/38/350264238.db2.gz QYKQMSQUDYMZRP-CQSZACIVSA-N 0 3 233.380 3.353 20 30 BGEDHN C=C(C)CN(CC)[C@H](C)c1ccncc1 ZINC000605427735 343977834 /nfs/dbraw/zinc/97/78/34/343977834.db2.gz GFNXQPCSGQVIIQ-GFCCVEGCSA-N 0 3 204.317 3.041 20 30 BGEDHN C=C(C)CN(CC)[C@@H](C)c1ccncc1 ZINC000605427736 343977718 /nfs/dbraw/zinc/97/77/18/343977718.db2.gz GFNXQPCSGQVIIQ-LBPRGKRZSA-N 0 3 204.317 3.041 20 30 BGEDHN C=CCCCN(C)Cc1cn2cccc(C)c2n1 ZINC000605737688 347431509 /nfs/dbraw/zinc/43/15/09/347431509.db2.gz OOQWOQFEEVLQNL-UHFFFAOYSA-N 0 3 243.354 3.041 20 30 BGEDHN C=C1CCN(Cc2c(C)cccc2C)CC1 ZINC000606433548 350336584 /nfs/dbraw/zinc/33/65/84/350336584.db2.gz DLARFOCKCNESTR-UHFFFAOYSA-N 0 3 215.340 3.455 20 30 BGEDHN C=CCCN(Cc1ccc(C)o1)C1CC1 ZINC000606896109 350621236 /nfs/dbraw/zinc/62/12/36/350621236.db2.gz WHMWPXWZHASEDO-UHFFFAOYSA-N 0 3 205.301 3.129 20 30 BGEDHN C=CCCN1CCN(c2cccc(C)c2C)CC1 ZINC000606896471 350621452 /nfs/dbraw/zinc/62/14/52/350621452.db2.gz QPJCQHRKPBBQML-UHFFFAOYSA-N 0 3 244.382 3.002 20 30 BGEDHN C=CCCN1CCc2cccc(F)c2[C@H]1C ZINC000606898053 350623690 /nfs/dbraw/zinc/62/36/90/350623690.db2.gz AIELFOQETBTTLP-LLVKDONJSA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCCN1CCc2cccc(F)c2[C@@H]1C ZINC000606898054 350623837 /nfs/dbraw/zinc/62/38/37/350623837.db2.gz AIELFOQETBTTLP-NSHDSACASA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCCN1CCS[C@H](c2ccccc2)C1 ZINC000606898136 350624547 /nfs/dbraw/zinc/62/45/47/350624547.db2.gz QAUZACOHVMRSKO-AWEZNQCLSA-N 0 3 233.380 3.353 20 30 BGEDHN C=CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000606898137 350624366 /nfs/dbraw/zinc/62/43/66/350624366.db2.gz QAUZACOHVMRSKO-CQSZACIVSA-N 0 3 233.380 3.353 20 30 BGEDHN C=CCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606898166 350624455 /nfs/dbraw/zinc/62/44/55/350624455.db2.gz ZRWMFRXLGWYLMZ-LLVKDONJSA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606898167 350624512 /nfs/dbraw/zinc/62/45/12/350624512.db2.gz ZRWMFRXLGWYLMZ-NSHDSACASA-N 0 3 219.303 3.321 20 30 BGEDHN C=CCN(CCOCC)[C@H]1CCc2ccccc21 ZINC000607357273 351331399 /nfs/dbraw/zinc/33/13/99/351331399.db2.gz WTJRNKZKBPSSLR-INIZCTEOSA-N 0 3 245.366 3.198 20 30 BGEDHN C=CCN(CCOCC)[C@@H]1CCc2ccccc21 ZINC000607357274 351330834 /nfs/dbraw/zinc/33/08/34/351330834.db2.gz WTJRNKZKBPSSLR-MRXNPFEDSA-N 0 3 245.366 3.198 20 30 BGEDHN CC#CCN(C)Cc1ccc2ccccc2c1 ZINC000607723940 342780721 /nfs/dbraw/zinc/78/07/21/342780721.db2.gz RGYMMEFXDZXJCI-UHFFFAOYSA-N 0 3 223.319 3.295 20 30 BGEDHN CC#CCN1CCC[C@H]1c1ccc(C)cc1 ZINC000607723993 342780548 /nfs/dbraw/zinc/78/05/48/342780548.db2.gz CFTSWQZJVSZDMM-HNNXBMFYSA-N 0 3 213.324 3.155 20 30 BGEDHN CC#CCN1CCC[C@@H]1c1ccc(C)cc1 ZINC000607723994 342780504 /nfs/dbraw/zinc/78/05/04/342780504.db2.gz CFTSWQZJVSZDMM-OAHLLOKOSA-N 0 3 213.324 3.155 20 30 BGEDHN CC#CCN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000607724171 342780532 /nfs/dbraw/zinc/78/05/32/342780532.db2.gz RNWWJWCRGCRKSW-AWEZNQCLSA-N 0 3 227.351 3.310 20 30 BGEDHN CC#CCN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000607724172 342780519 /nfs/dbraw/zinc/78/05/19/342780519.db2.gz RNWWJWCRGCRKSW-CQSZACIVSA-N 0 3 227.351 3.310 20 30 BGEDHN CC#CCN(Cc1ccc(C)s1)C(C)C ZINC000607724279 342780604 /nfs/dbraw/zinc/78/06/04/342780604.db2.gz OZJFQTCGAFNJCM-UHFFFAOYSA-N 0 3 221.369 3.290 20 30 BGEDHN CC#CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000607725184 342781986 /nfs/dbraw/zinc/78/19/86/342781986.db2.gz UHKLKQMVASDRDF-UHFFFAOYSA-N 0 3 229.367 3.439 20 30 BGEDHN CC#CCN(Cc1ccccc1)[C@@H](C)CC ZINC000607725595 342782186 /nfs/dbraw/zinc/78/21/86/342782186.db2.gz RSLFQRDFULQPDC-AWEZNQCLSA-N 0 3 215.340 3.310 20 30 BGEDHN CC#CCN(Cc1ccccc1)[C@H](C)CC ZINC000607725596 342782239 /nfs/dbraw/zinc/78/22/39/342782239.db2.gz RSLFQRDFULQPDC-CQSZACIVSA-N 0 3 215.340 3.310 20 30 BGEDHN CC#CCN(C)[C@H](C)c1ccccc1C ZINC000607727354 342782473 /nfs/dbraw/zinc/78/24/73/342782473.db2.gz KVKHOBAAIKCPEP-CYBMUJFWSA-N 0 3 201.313 3.011 20 30 BGEDHN CC#CCN(C)[C@@H](C)c1ccccc1C ZINC000607727355 342782414 /nfs/dbraw/zinc/78/24/14/342782414.db2.gz KVKHOBAAIKCPEP-ZDUSSCGKSA-N 0 3 201.313 3.011 20 30 BGEDHN CC#CCN(Cc1cccc(F)c1)C(C)C ZINC000607727495 342782742 /nfs/dbraw/zinc/78/27/42/342782742.db2.gz LSLQDPLTWFWTGH-UHFFFAOYSA-N 0 3 219.303 3.059 20 30 BGEDHN CC#CCN(Cc1cccc(OC)c1)CC(C)C ZINC000607727879 342782709 /nfs/dbraw/zinc/78/27/09/342782709.db2.gz AQUGXBQNFNBXMP-UHFFFAOYSA-N 0 3 245.366 3.177 20 30 BGEDHN CC#CCN(CCC)[C@@H](C)c1ccccc1OC ZINC000607727924 342782922 /nfs/dbraw/zinc/78/29/22/342782922.db2.gz GLWMOEZROWYCCO-AWEZNQCLSA-N 0 3 245.366 3.492 20 30 BGEDHN CC#CCN(CCC)[C@H](C)c1ccccc1OC ZINC000607727925 342782762 /nfs/dbraw/zinc/78/27/62/342782762.db2.gz GLWMOEZROWYCCO-CQSZACIVSA-N 0 3 245.366 3.492 20 30 BGEDHN CC#CCN(Cc1ccc(F)cc1)C(C)C ZINC000607727937 342782828 /nfs/dbraw/zinc/78/28/28/342782828.db2.gz HYGMFDAKTSYNMY-UHFFFAOYSA-N 0 3 219.303 3.059 20 30 BGEDHN CC#CCN(CCC)Cc1ccc(F)cc1 ZINC000607727958 342782757 /nfs/dbraw/zinc/78/27/57/342782757.db2.gz KSFJSMHOUPXDLP-UHFFFAOYSA-N 0 3 219.303 3.061 20 30 BGEDHN CC#CCN(C)CCc1cccc2ccccc21 ZINC000607728741 342781310 /nfs/dbraw/zinc/78/13/10/342781310.db2.gz QWXUJOUTHSVJNP-UHFFFAOYSA-N 0 3 237.346 3.337 20 30 BGEDHN CC#CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000607728754 342781481 /nfs/dbraw/zinc/78/14/81/342781481.db2.gz UHRKCWGCFFFBOF-UHFFFAOYSA-N 0 3 245.341 3.104 20 30 BGEDHN CC#CCN1CCC2(CCCCC2)CC1 ZINC000607728828 342783627 /nfs/dbraw/zinc/78/36/27/342783627.db2.gz FEWGRJKAFUCAQT-UHFFFAOYSA-N 0 3 205.345 3.056 20 30 BGEDHN CC#CCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000607729523 342783892 /nfs/dbraw/zinc/78/38/92/342783892.db2.gz NERUPIAIISIAJX-UHFFFAOYSA-N 0 3 249.304 3.168 20 30 BGEDHN C=C1CCN(CCCc2cccc(OC)c2)CC1 ZINC000607731408 342783104 /nfs/dbraw/zinc/78/31/04/342783104.db2.gz XRGXYIGURRKLPP-UHFFFAOYSA-N 0 3 245.366 3.280 20 30 BGEDHN C=CCN(CC#CC)CC1CCCCC1 ZINC000607731972 342783182 /nfs/dbraw/zinc/78/31/82/342783182.db2.gz VYMOKWWJBGOLLF-UHFFFAOYSA-N 0 3 205.345 3.078 20 30 BGEDHN CC#CCN(C)[C@H](c1ccccc1)C(C)C ZINC000607732116 342783124 /nfs/dbraw/zinc/78/31/24/342783124.db2.gz NFEYRHGZBCGRLE-HNNXBMFYSA-N 0 3 215.340 3.339 20 30 BGEDHN CC#CCN(C)[C@@H](c1ccccc1)C(C)C ZINC000607732117 342783367 /nfs/dbraw/zinc/78/33/67/342783367.db2.gz NFEYRHGZBCGRLE-OAHLLOKOSA-N 0 3 215.340 3.339 20 30 BGEDHN CC#CCN1CCC[C@](C)(c2ccccc2)C1 ZINC000607732336 342783361 /nfs/dbraw/zinc/78/33/61/342783361.db2.gz XCHIJLQGSSRPII-INIZCTEOSA-N 0 3 227.351 3.063 20 30 BGEDHN CC#CCN1CCC[C@@](C)(c2ccccc2)C1 ZINC000607732337 342783414 /nfs/dbraw/zinc/78/34/14/342783414.db2.gz XCHIJLQGSSRPII-MRXNPFEDSA-N 0 3 227.351 3.063 20 30 BGEDHN CC#CCN1CCc2ccccc2[C@@H]1CC ZINC000607732339 342783403 /nfs/dbraw/zinc/78/34/03/342783403.db2.gz YBYCQRQGXZURAD-HNNXBMFYSA-N 0 3 213.324 3.019 20 30 BGEDHN CC#CCN1CCc2ccccc2[C@H]1CC ZINC000607732340 342783431 /nfs/dbraw/zinc/78/34/31/342783431.db2.gz YBYCQRQGXZURAD-OAHLLOKOSA-N 0 3 213.324 3.019 20 30 BGEDHN CC#CCN(Cc1ccc(F)cc1)CC1CC1 ZINC000607734676 342783146 /nfs/dbraw/zinc/78/31/46/342783146.db2.gz UMJXFMNLVFSRIO-UHFFFAOYSA-N 0 3 231.314 3.061 20 30 BGEDHN CC#CCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000607735103 342784528 /nfs/dbraw/zinc/78/45/28/342784528.db2.gz 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/nfs/dbraw/zinc/37/33/91/359373391.db2.gz IFNJSJHMTGHSSU-LBPRGKRZSA-N 0 3 241.338 3.149 20 30 BGEDHN CC(C)(C#N)c1ccccc1CN1CC=CCC1 ZINC000611517193 359386376 /nfs/dbraw/zinc/38/63/76/359386376.db2.gz HOTLHBMKUOFYIX-UHFFFAOYSA-N 0 3 240.350 3.250 20 30 BGEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCCC#N ZINC000611554168 387347073 /nfs/dbraw/zinc/34/70/73/387347073.db2.gz GSXOLLYITJHWIO-MNOVXSKESA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCCC#N ZINC000611554169 387347004 /nfs/dbraw/zinc/34/70/04/387347004.db2.gz GSXOLLYITJHWIO-QWRGUYRKSA-N 0 3 248.292 3.343 20 30 BGEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCCC#N ZINC000611554170 387347148 /nfs/dbraw/zinc/34/71/48/387347148.db2.gz GSXOLLYITJHWIO-WDEREUQCSA-N 0 3 248.292 3.343 20 30 BGEDHN N#CCCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554683 359396972 /nfs/dbraw/zinc/39/69/72/359396972.db2.gz SMBIPTSDLDNNAJ-BLIJAFNYSA-N 0 3 240.350 3.468 20 30 BGEDHN N#CCCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554684 359397167 /nfs/dbraw/zinc/39/71/67/359397167.db2.gz SMBIPTSDLDNNAJ-SNGWPZLWSA-N 0 3 240.350 3.468 20 30 BGEDHN C[C@H](NC1CC=CC1)c1ccc(C#N)cc1F ZINC000611587524 359399238 /nfs/dbraw/zinc/39/92/38/359399238.db2.gz HKZCRJHKDITTMN-JTQLQIEISA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@H](NC1CC=CC1)c1ccc(C#N)cc1F ZINC000611587530 359399194 /nfs/dbraw/zinc/39/91/94/359399194.db2.gz HKZCRJHKDITTMN-SNVBAGLBSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@]1(C#N)CCCN(CC2CCCCC2)C1 ZINC000612157904 359707891 /nfs/dbraw/zinc/70/78/91/359707891.db2.gz FYLQRXBJIYGZPW-AWEZNQCLSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@]1(C#N)CCCN(CC2CCCCC2)C1 ZINC000612157920 359707881 /nfs/dbraw/zinc/70/78/81/359707881.db2.gz FYLQRXBJIYGZPW-CQSZACIVSA-N 0 3 220.360 3.192 20 30 BGEDHN C=CCCC[C@H](C)N1CCC[C@@](C)(C#N)C1 ZINC000612159359 359708143 /nfs/dbraw/zinc/70/81/43/359708143.db2.gz ALGIYSCLXVWBBB-KBPBESRZSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCC[C@@H](C)N1CCC[C@@](C)(C#N)C1 ZINC000612159361 359707886 /nfs/dbraw/zinc/70/78/86/359707886.db2.gz ALGIYSCLXVWBBB-KGLIPLIRSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCC[C@H](C)N1CCC[C@](C)(C#N)C1 ZINC000612159362 359707705 /nfs/dbraw/zinc/70/77/05/359707705.db2.gz ALGIYSCLXVWBBB-UONOGXRCSA-N 0 3 220.360 3.357 20 30 BGEDHN C=CCCC[C@@H](C)N1CCC[C@](C)(C#N)C1 ZINC000612159364 359707936 /nfs/dbraw/zinc/70/79/36/359707936.db2.gz ALGIYSCLXVWBBB-ZIAGYGMSSA-N 0 3 220.360 3.357 20 30 BGEDHN CCC(C)(C)CCN1CCC[C@@](C)(C#N)C1 ZINC000612159650 359715697 /nfs/dbraw/zinc/71/56/97/359715697.db2.gz XIXHHLBZCXHOEZ-AWEZNQCLSA-N 0 3 222.376 3.438 20 30 BGEDHN CCC(C)(C)CCN1CCC[C@](C)(C#N)C1 ZINC000612159656 359715553 /nfs/dbraw/zinc/71/55/53/359715553.db2.gz XIXHHLBZCXHOEZ-CQSZACIVSA-N 0 3 222.376 3.438 20 30 BGEDHN CC(C)(C)CCN1CCC[C@](C)(C#N)C1 ZINC000612161917 359712743 /nfs/dbraw/zinc/71/27/43/359712743.db2.gz WTMTYPHUOVNEFS-CYBMUJFWSA-N 0 3 208.349 3.048 20 30 BGEDHN CC(C)(C)CCN1CCC[C@@](C)(C#N)C1 ZINC000612161928 359712545 /nfs/dbraw/zinc/71/25/45/359712545.db2.gz WTMTYPHUOVNEFS-ZDUSSCGKSA-N 0 3 208.349 3.048 20 30 BGEDHN C[C@@]1(C#N)CCCN(CCC2CCCC2)C1 ZINC000612165230 359719397 /nfs/dbraw/zinc/71/93/97/359719397.db2.gz LTWIFZYRIGYMAM-AWEZNQCLSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@]1(C#N)CCCN(CCC2CCCC2)C1 ZINC000612165231 359720374 /nfs/dbraw/zinc/72/03/74/359720374.db2.gz LTWIFZYRIGYMAM-CQSZACIVSA-N 0 3 220.360 3.192 20 30 BGEDHN C[C@@H]1CCC[C@H](CN2CCC[C@@](C)(C#N)C2)C1 ZINC000612166302 359720567 /nfs/dbraw/zinc/72/05/67/359720567.db2.gz RXYYPQDLFCHTLV-ILXRZTDVSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN2CCC[C@@](C)(C#N)C2)C1 ZINC000612166304 359721017 /nfs/dbraw/zinc/72/10/17/359721017.db2.gz RXYYPQDLFCHTLV-KFWWJZLASA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCC[C@H](CN2CCC[C@](C)(C#N)C2)C1 ZINC000612166305 359720501 /nfs/dbraw/zinc/72/05/01/359720501.db2.gz RXYYPQDLFCHTLV-QLFBSQMISA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCC[C@@H](CN2CCC[C@](C)(C#N)C2)C1 ZINC000612166308 359720588 /nfs/dbraw/zinc/72/05/88/359720588.db2.gz RXYYPQDLFCHTLV-RBSFLKMASA-N 0 3 234.387 3.438 20 30 BGEDHN CCC(CC)CN1CCC[C@](C)(C#N)C1 ZINC000612405941 359833523 /nfs/dbraw/zinc/83/35/23/359833523.db2.gz FJIPSSXUKVHJML-CYBMUJFWSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC(CC)CN1CCC[C@@](C)(C#N)C1 ZINC000612405942 359833355 /nfs/dbraw/zinc/83/33/55/359833355.db2.gz FJIPSSXUKVHJML-ZDUSSCGKSA-N 0 3 208.349 3.048 20 30 BGEDHN CC1CCC(CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000612406102 359833633 /nfs/dbraw/zinc/83/36/33/359833633.db2.gz IFUSUQUPOMVKOG-NRXISQOPSA-N 0 3 234.387 3.438 20 30 BGEDHN CC1CCC(CN2CCC[C@](C)(C#N)C2)CC1 ZINC000612406103 359833650 /nfs/dbraw/zinc/83/36/50/359833650.db2.gz IFUSUQUPOMVKOG-YMAMQOFZSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN1CCC[C@@](C)(C#N)C1 ZINC000612406799 359833329 /nfs/dbraw/zinc/83/33/29/359833329.db2.gz UJRGKBUNKGNARP-ILXRZTDVSA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@@](C)(C#N)C1 ZINC000612406800 359833444 /nfs/dbraw/zinc/83/34/44/359833444.db2.gz UJRGKBUNKGNARP-KFWWJZLASA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@H]1CN1CCC[C@](C)(C#N)C1 ZINC000612406801 359833259 /nfs/dbraw/zinc/83/32/59/359833259.db2.gz UJRGKBUNKGNARP-QLFBSQMISA-N 0 3 234.387 3.438 20 30 BGEDHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@](C)(C#N)C1 ZINC000612406802 359834712 /nfs/dbraw/zinc/83/47/12/359834712.db2.gz UJRGKBUNKGNARP-RBSFLKMASA-N 0 3 234.387 3.438 20 30 BGEDHN CCC[C@@H](C)CN1CCC[C@](C)(C#N)C1 ZINC000612407181 359835117 /nfs/dbraw/zinc/83/51/17/359835117.db2.gz ZUODGAIXWIBQLY-CHWSQXEVSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC[C@@H](C)CN1CCC[C@@](C)(C#N)C1 ZINC000612407182 359834796 /nfs/dbraw/zinc/83/47/96/359834796.db2.gz ZUODGAIXWIBQLY-OLZOCXBDSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC[C@H](C)CN1CCC[C@](C)(C#N)C1 ZINC000612407183 359835149 /nfs/dbraw/zinc/83/51/49/359835149.db2.gz ZUODGAIXWIBQLY-QWHCGFSZSA-N 0 3 208.349 3.048 20 30 BGEDHN CCC[C@H](C)CN1CCC[C@@](C)(C#N)C1 ZINC000612407184 359834844 /nfs/dbraw/zinc/83/48/44/359834844.db2.gz ZUODGAIXWIBQLY-STQMWFEESA-N 0 3 208.349 3.048 20 30 BGEDHN C[C@@H](CCc1ccccc1)CNCC(C)(C)C#N ZINC000612585114 359898668 /nfs/dbraw/zinc/89/86/68/359898668.db2.gz ONSUMCOXRKXLLH-AWEZNQCLSA-N 0 3 244.382 3.395 20 30 BGEDHN C[C@H](CCc1ccccc1)CNCC(C)(C)C#N ZINC000612585117 359898557 /nfs/dbraw/zinc/89/85/57/359898557.db2.gz ONSUMCOXRKXLLH-CQSZACIVSA-N 0 3 244.382 3.395 20 30 BGEDHN CC[C@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000612585298 359898592 /nfs/dbraw/zinc/89/85/92/359898592.db2.gz VKTGYMPLDTWRGV-CYBMUJFWSA-N 0 3 230.355 3.320 20 30 BGEDHN CC[C@@H](CNCC(C)(C)C#N)c1ccccc1 ZINC000612585300 359897755 /nfs/dbraw/zinc/89/77/55/359897755.db2.gz VKTGYMPLDTWRGV-ZDUSSCGKSA-N 0 3 230.355 3.320 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000612585380 359898679 /nfs/dbraw/zinc/89/86/79/359898679.db2.gz AERHGTGAFDAAGH-CHWSQXEVSA-N 0 3 230.355 3.318 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000612585384 359898026 /nfs/dbraw/zinc/89/80/26/359898026.db2.gz AERHGTGAFDAAGH-OLZOCXBDSA-N 0 3 230.355 3.318 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000612585386 359898546 /nfs/dbraw/zinc/89/85/46/359898546.db2.gz AERHGTGAFDAAGH-QWHCGFSZSA-N 0 3 230.355 3.318 20 30 BGEDHN C[C@H](c1ccccc1)[C@H](C)NCC(C)(C)C#N ZINC000612585387 359897886 /nfs/dbraw/zinc/89/78/86/359897886.db2.gz AERHGTGAFDAAGH-STQMWFEESA-N 0 3 230.355 3.318 20 30 BGEDHN C[C@H](CCc1cccc(F)c1)NCC(C)(C)C#N ZINC000612587952 359899947 /nfs/dbraw/zinc/89/99/47/359899947.db2.gz IOXGAODPAMLOMW-GFCCVEGCSA-N 0 3 248.345 3.286 20 30 BGEDHN C[C@@H](CCc1cccc(F)c1)NCC(C)(C)C#N ZINC000612587959 359900180 /nfs/dbraw/zinc/90/01/80/359900180.db2.gz IOXGAODPAMLOMW-LBPRGKRZSA-N 0 3 248.345 3.286 20 30 BGEDHN CC[C@@H](Cc1ccc(C)cc1)NCC(C)(C)C#N ZINC000613145936 387399778 /nfs/dbraw/zinc/39/97/78/387399778.db2.gz RGOKXLAENZDMER-HNNXBMFYSA-N 0 3 244.382 3.456 20 30 BGEDHN CC[C@H](Cc1ccc(C)cc1)NCC(C)(C)C#N ZINC000613145937 387398345 /nfs/dbraw/zinc/39/83/45/387398345.db2.gz RGOKXLAENZDMER-OAHLLOKOSA-N 0 3 244.382 3.456 20 30 BGEDHN C=CCN(CC=C)CCO[C@H]1CCCC[C@H]1C ZINC000613416629 363192160 /nfs/dbraw/zinc/19/21/60/363192160.db2.gz WQZGEPOOCMACFM-CABCVRRESA-N 0 3 237.387 3.256 20 30 BGEDHN C=CCN(CC=C)CCO[C@H]1CCCC[C@@H]1C ZINC000613416630 363191478 /nfs/dbraw/zinc/19/14/78/363191478.db2.gz WQZGEPOOCMACFM-GJZGRUSLSA-N 0 3 237.387 3.256 20 30 BGEDHN C=CCN(CC=C)CCO[C@@H]1CCCC[C@H]1C ZINC000613416631 363191954 /nfs/dbraw/zinc/19/19/54/363191954.db2.gz WQZGEPOOCMACFM-HUUCEWRRSA-N 0 3 237.387 3.256 20 30 BGEDHN C=CCN(CC=C)CCO[C@@H]1CCCC[C@@H]1C ZINC000613416632 363192051 /nfs/dbraw/zinc/19/20/51/363192051.db2.gz WQZGEPOOCMACFM-LSDHHAIUSA-N 0 3 237.387 3.256 20 30 BGEDHN C[C@H](CCc1ccc(F)cc1)NCC(C)(C)C#N ZINC000613540266 363473972 /nfs/dbraw/zinc/47/39/72/363473972.db2.gz IGDFETXNXTWFPO-GFCCVEGCSA-N 0 3 248.345 3.286 20 30 BGEDHN C[C@@H](CCc1ccc(F)cc1)NCC(C)(C)C#N ZINC000613540277 363474556 /nfs/dbraw/zinc/47/45/56/363474556.db2.gz IGDFETXNXTWFPO-LBPRGKRZSA-N 0 3 248.345 3.286 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000613540332 363474404 /nfs/dbraw/zinc/47/44/04/363474404.db2.gz KVHCMHOYGFBLTA-CABCVRRESA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000613540342 363474665 /nfs/dbraw/zinc/47/46/65/363474665.db2.gz KVHCMHOYGFBLTA-GJZGRUSLSA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000613540344 363474068 /nfs/dbraw/zinc/47/40/68/363474068.db2.gz KVHCMHOYGFBLTA-HUUCEWRRSA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000613540345 363474590 /nfs/dbraw/zinc/47/45/90/363474590.db2.gz KVHCMHOYGFBLTA-LSDHHAIUSA-N 0 3 242.366 3.462 20 30 BGEDHN Cc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1 ZINC000613540363 363474636 /nfs/dbraw/zinc/47/46/36/363474636.db2.gz OFTHHVUDHMUSHD-AWEZNQCLSA-N 0 3 244.382 3.456 20 30 BGEDHN Cc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1 ZINC000613540364 363474260 /nfs/dbraw/zinc/47/42/60/363474260.db2.gz OFTHHVUDHMUSHD-CQSZACIVSA-N 0 3 244.382 3.456 20 30 BGEDHN C[C@@H]1[C@H](NCC(C)(C)C#N)C[C@@H]1c1ccccc1 ZINC000613540379 363474082 /nfs/dbraw/zinc/47/40/82/363474082.db2.gz TVPOJXLJZFGFPR-AEGPPILISA-N 0 3 242.366 3.318 20 30 BGEDHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC(C)(C)C#N ZINC000613540381 363474388 /nfs/dbraw/zinc/47/43/88/363474388.db2.gz TVPOJXLJZFGFPR-CFVMTHIKSA-N 0 3 242.366 3.318 20 30 BGEDHN C[C@@H]1[C@H](NCC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000613540382 363474686 /nfs/dbraw/zinc/47/46/86/363474686.db2.gz TVPOJXLJZFGFPR-NWANDNLSSA-N 0 3 242.366 3.318 20 30 BGEDHN C[C@@H]1[C@@H](NCC(C)(C)C#N)C[C@@H]1c1ccccc1 ZINC000613540383 363474249 /nfs/dbraw/zinc/47/42/49/363474249.db2.gz TVPOJXLJZFGFPR-QEJZJMRPSA-N 0 3 242.366 3.318 20 30 BGEDHN Cc1ccccc1C[C@@H](C)NCC(C)(C)C#N ZINC000613540432 363474690 /nfs/dbraw/zinc/47/46/90/363474690.db2.gz YVSCPEFTZHVNIZ-CYBMUJFWSA-N 0 3 230.355 3.065 20 30 BGEDHN Cc1ccccc1C[C@H](C)NCC(C)(C)C#N ZINC000613540433 363474422 /nfs/dbraw/zinc/47/44/22/363474422.db2.gz YVSCPEFTZHVNIZ-ZDUSSCGKSA-N 0 3 230.355 3.065 20 30 BGEDHN C[C@H](CCc1ccccc1F)NCC(C)(C)C#N ZINC000613540436 363474283 /nfs/dbraw/zinc/47/42/83/363474283.db2.gz ZRLIENDVGCAAKF-GFCCVEGCSA-N 0 3 248.345 3.286 20 30 BGEDHN C[C@@H](CCc1ccccc1F)NCC(C)(C)C#N ZINC000613540437 363474193 /nfs/dbraw/zinc/47/41/93/363474193.db2.gz ZRLIENDVGCAAKF-LBPRGKRZSA-N 0 3 248.345 3.286 20 30 BGEDHN Cc1cc(C)cc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000613661581 363610107 /nfs/dbraw/zinc/61/01/07/363610107.db2.gz XTJZMHQOBUZJJH-HIFRSBDPSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cc(C)cc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000613661583 538638461 /nfs/dbraw/zinc/63/84/61/538638461.db2.gz XTJZMHQOBUZJJH-ZFWWWQNUSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000613666848 363617535 /nfs/dbraw/zinc/61/75/35/363617535.db2.gz GPCNLSYWCFMTKY-IOASZLSFSA-N 0 3 240.350 3.264 20 30 BGEDHN Cc1cccc2c1CC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000613666849 363617698 /nfs/dbraw/zinc/61/76/98/363617698.db2.gz GPCNLSYWCFMTKY-WWGRRREGSA-N 0 3 240.350 3.264 20 30 BGEDHN Cc1cccc2c1CC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000613666850 363617687 /nfs/dbraw/zinc/61/76/87/363617687.db2.gz GPCNLSYWCFMTKY-XEZPLFJOSA-N 0 3 240.350 3.264 20 30 BGEDHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CC2 ZINC000613666862 363617271 /nfs/dbraw/zinc/61/72/71/363617271.db2.gz OHPLXSGFMMSLNN-IVMMDQJWSA-N 0 3 240.350 3.264 20 30 BGEDHN CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000613667748 363617413 /nfs/dbraw/zinc/61/74/13/363617413.db2.gz OLXWERSNBNROFI-IPYPFGDCSA-N 0 3 243.354 3.205 20 30 BGEDHN CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000613667766 363617371 /nfs/dbraw/zinc/61/73/71/363617371.db2.gz OLXWERSNBNROFI-NFAWXSAZSA-N 0 3 243.354 3.205 20 30 BGEDHN CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000613667767 363617639 /nfs/dbraw/zinc/61/76/39/363617639.db2.gz OLXWERSNBNROFI-YDHLFZDLSA-N 0 3 243.354 3.205 20 30 BGEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614159519 363738783 /nfs/dbraw/zinc/73/87/83/363738783.db2.gz CAEBWSYPQDNKFS-UHFFFAOYSA-N 0 3 228.339 3.082 20 30 BGEDHN CC(C)(C#N)c1ccc(CN2CC=CCC2)cc1 ZINC000614182861 363747796 /nfs/dbraw/zinc/74/77/96/363747796.db2.gz LJUMCMSDRRBTAJ-UHFFFAOYSA-N 0 3 240.350 3.250 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614183125 363747114 /nfs/dbraw/zinc/74/71/14/363747114.db2.gz YUZPKGGTBKNFFG-UHFFFAOYSA-N 0 3 242.366 3.496 20 30 BGEDHN C[C@@H](CNCC(C)(C)C#N)Cc1ccccc1 ZINC000614247744 363760473 /nfs/dbraw/zinc/76/04/73/363760473.db2.gz NXZSUVWKDJIYDX-CYBMUJFWSA-N 0 3 230.355 3.005 20 30 BGEDHN C[C@H](CNCC(C)(C)C#N)Cc1ccccc1 ZINC000614247745 363760927 /nfs/dbraw/zinc/76/09/27/363760927.db2.gz NXZSUVWKDJIYDX-ZDUSSCGKSA-N 0 3 230.355 3.005 20 30 BGEDHN C=C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614398449 363805100 /nfs/dbraw/zinc/80/51/00/363805100.db2.gz SSJVAHCKCCRXOB-UHFFFAOYSA-N 0 3 226.323 3.019 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CC=C(C)CC1 ZINC000614403398 363805916 /nfs/dbraw/zinc/80/59/16/363805916.db2.gz WMWBBOWQBXIJFJ-UHFFFAOYSA-N 0 3 226.323 3.019 20 30 BGEDHN C=CCN(Cc1ccc(C#N)cc1C)C1CC1 ZINC000614406883 363806556 /nfs/dbraw/zinc/80/65/56/363806556.db2.gz DYHJMTRFJVRCKM-UHFFFAOYSA-N 0 3 226.323 3.017 20 30 BGEDHN CN(CCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000614462007 363825107 /nfs/dbraw/zinc/82/51/07/363825107.db2.gz IQPVGSCGKFNFJU-UHFFFAOYSA-N 0 3 222.376 3.437 20 30 BGEDHN C=CCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614578318 363889730 /nfs/dbraw/zinc/88/97/30/363889730.db2.gz NGEMFHWJNLNFOZ-UHFFFAOYSA-N 0 3 228.339 3.106 20 30 BGEDHN CC1(C#N)CCN([C@H]2CCc3ccccc32)CC1 ZINC000614963921 364237740 /nfs/dbraw/zinc/23/77/40/364237740.db2.gz PEPDKJILKHXXGQ-HNNXBMFYSA-N 0 3 240.350 3.300 20 30 BGEDHN CC1(C#N)CCN([C@@H]2CCc3ccccc32)CC1 ZINC000614963948 364237125 /nfs/dbraw/zinc/23/71/25/364237125.db2.gz PEPDKJILKHXXGQ-OAHLLOKOSA-N 0 3 240.350 3.300 20 30 BGEDHN CC(C)C[C@@H](C)N1CCC[C@](C)(C#N)C1 ZINC000614964095 364237255 /nfs/dbraw/zinc/23/72/55/364237255.db2.gz XRRSZVWZBOTDIS-CHWSQXEVSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)C[C@@H](C)N1CCC[C@@](C)(C#N)C1 ZINC000614964096 364237757 /nfs/dbraw/zinc/23/77/57/364237757.db2.gz XRRSZVWZBOTDIS-OLZOCXBDSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)C[C@H](C)N1CCC[C@](C)(C#N)C1 ZINC000614964097 364237100 /nfs/dbraw/zinc/23/71/00/364237100.db2.gz XRRSZVWZBOTDIS-QWHCGFSZSA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)C[C@H](C)N1CCC[C@@](C)(C#N)C1 ZINC000614964098 364237301 /nfs/dbraw/zinc/23/73/01/364237301.db2.gz XRRSZVWZBOTDIS-STQMWFEESA-N 0 3 208.349 3.047 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000615136286 364512389 /nfs/dbraw/zinc/51/23/89/364512389.db2.gz BILIPLLWLCOBRH-CABCVRRESA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000615136292 364512246 /nfs/dbraw/zinc/51/22/46/364512246.db2.gz BILIPLLWLCOBRH-GJZGRUSLSA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000615136293 364512380 /nfs/dbraw/zinc/51/23/80/364512380.db2.gz BILIPLLWLCOBRH-HUUCEWRRSA-N 0 3 242.366 3.462 20 30 BGEDHN CC(C)(C#N)CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000615136295 364512125 /nfs/dbraw/zinc/51/21/25/364512125.db2.gz BILIPLLWLCOBRH-LSDHHAIUSA-N 0 3 242.366 3.462 20 30 BGEDHN C[C@H](CNCC(C)(C)C#N)c1ccc(F)cc1 ZINC000615136338 364512118 /nfs/dbraw/zinc/51/21/18/364512118.db2.gz MCJKIBVZWISGPG-LLVKDONJSA-N 0 3 234.318 3.069 20 30 BGEDHN C[C@@H](CNCC(C)(C)C#N)c1ccc(F)cc1 ZINC000615136355 364512442 /nfs/dbraw/zinc/51/24/42/364512442.db2.gz MCJKIBVZWISGPG-NSHDSACASA-N 0 3 234.318 3.069 20 30 BGEDHN C=CCN(Cc1ccccc1F)CC(C)C ZINC000615352987 364708867 /nfs/dbraw/zinc/70/88/67/364708867.db2.gz SLYZPVUVMMBQCZ-UHFFFAOYSA-N 0 3 221.319 3.470 20 30 BGEDHN C=CCN(CCCC)Cc1ccc(OC)cc1 ZINC000615457366 367918569 /nfs/dbraw/zinc/91/85/69/367918569.db2.gz NSUNXVXCWHTASX-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCN(C)[C@H](C)c1ccc(C)cc1C ZINC000615463667 367964482 /nfs/dbraw/zinc/96/44/82/367964482.db2.gz FTPMPHJKKUFASR-CYBMUJFWSA-N 0 3 203.329 3.482 20 30 BGEDHN C=CCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000615463668 367963937 /nfs/dbraw/zinc/96/39/37/367963937.db2.gz FTPMPHJKKUFASR-ZDUSSCGKSA-N 0 3 203.329 3.482 20 30 BGEDHN Cc1ccc(CN(C)CC(C)(C)CCC#N)nc1 ZINC000616152068 368985992 /nfs/dbraw/zinc/98/59/92/368985992.db2.gz JRGKIIIKQQLHBQ-UHFFFAOYSA-N 0 3 245.370 3.152 20 30 BGEDHN CC(C)=CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000616357137 342720550 /nfs/dbraw/zinc/72/05/50/342720550.db2.gz OKFMFAXWXATPLB-INIZCTEOSA-N 0 3 240.350 3.491 20 30 BGEDHN CC(C)=CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000616357138 342720496 /nfs/dbraw/zinc/72/04/96/342720496.db2.gz OKFMFAXWXATPLB-MRXNPFEDSA-N 0 3 240.350 3.491 20 30 BGEDHN CC(C)C1CC(NCc2ccc(C#N)cc2F)C1 ZINC000616999020 347573962 /nfs/dbraw/zinc/57/39/62/347573962.db2.gz SUFFTWDREOSLSE-UHFFFAOYSA-N 0 3 246.329 3.222 20 30 BGEDHN C[C@@H]1CCN(CCCCC(C)(C)C#N)C[C@H]1F ZINC000618304515 369116455 /nfs/dbraw/zinc/11/64/55/369116455.db2.gz KMVOTVAIKDSKRV-CHWSQXEVSA-N 0 3 240.366 3.386 20 30 BGEDHN C[C@@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1F ZINC000618304519 369116436 /nfs/dbraw/zinc/11/64/36/369116436.db2.gz KMVOTVAIKDSKRV-OLZOCXBDSA-N 0 3 240.366 3.386 20 30 BGEDHN C[C@H]1CCN(CCCCC(C)(C)C#N)C[C@H]1F ZINC000618304520 369116926 /nfs/dbraw/zinc/11/69/26/369116926.db2.gz KMVOTVAIKDSKRV-QWHCGFSZSA-N 0 3 240.366 3.386 20 30 BGEDHN C[C@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1F ZINC000618304521 369116734 /nfs/dbraw/zinc/11/67/34/369116734.db2.gz KMVOTVAIKDSKRV-STQMWFEESA-N 0 3 240.366 3.386 20 30 BGEDHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000618568015 369174403 /nfs/dbraw/zinc/17/44/03/369174403.db2.gz KMWDETNNMLTMFQ-BIMULSAOSA-N 0 3 247.342 3.024 20 30 BGEDHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000618568016 369173988 /nfs/dbraw/zinc/17/39/88/369173988.db2.gz KMWDETNNMLTMFQ-TVYUQYBPSA-N 0 3 247.342 3.024 20 30 BGEDHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000618568017 369174643 /nfs/dbraw/zinc/17/46/43/369174643.db2.gz KMWDETNNMLTMFQ-XDTLVQLUSA-N 0 3 247.342 3.024 20 30 BGEDHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618568018 369173887 /nfs/dbraw/zinc/17/38/87/369173887.db2.gz KMWDETNNMLTMFQ-ZWKOPEQDSA-N 0 3 247.342 3.024 20 30 BGEDHN Cc1ccncc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618571395 369175173 /nfs/dbraw/zinc/17/51/73/369175173.db2.gz ISVFWSVFXJDVDU-BFHYXJOUSA-N 0 3 243.354 3.123 20 30 BGEDHN Cc1ccncc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000618571396 369175536 /nfs/dbraw/zinc/17/55/36/369175536.db2.gz ISVFWSVFXJDVDU-IHRRRGAJSA-N 0 3 243.354 3.123 20 30 BGEDHN Cc1ccncc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000618571397 369175267 /nfs/dbraw/zinc/17/52/67/369175267.db2.gz ISVFWSVFXJDVDU-MELADBBJSA-N 0 3 243.354 3.123 20 30 BGEDHN Cc1ccncc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000618571398 369175614 /nfs/dbraw/zinc/17/56/14/369175614.db2.gz ISVFWSVFXJDVDU-MJBXVCDLSA-N 0 3 243.354 3.123 20 30 BGEDHN CCOC[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000618578682 369176547 /nfs/dbraw/zinc/17/65/47/369176547.db2.gz SPFYIMNPBBLKLB-SWLSCSKDSA-N 0 3 246.354 3.024 20 30 BGEDHN CCOC[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000618578684 369176802 /nfs/dbraw/zinc/17/68/02/369176802.db2.gz SPFYIMNPBBLKLB-WFASDCNBSA-N 0 3 246.354 3.024 20 30 BGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccccc1 ZINC000618742245 369207754 /nfs/dbraw/zinc/20/77/54/369207754.db2.gz LFZIQULHANEEJV-KRWDZBQOSA-N 0 3 248.329 3.335 20 30 BGEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccccc1 ZINC000618742248 369207533 /nfs/dbraw/zinc/20/75/33/369207533.db2.gz LFZIQULHANEEJV-QGZVFWFLSA-N 0 3 248.329 3.335 20 30 BGEDHN Cc1cc(CN2CCC3(CC3)CC2)ccc1C#N ZINC000618752654 369210066 /nfs/dbraw/zinc/21/00/66/369210066.db2.gz PEUDQYKLQUFEFN-UHFFFAOYSA-N 0 3 240.350 3.243 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000618767536 369214728 /nfs/dbraw/zinc/21/47/28/369214728.db2.gz ORTGABLDHPGGEL-INIZCTEOSA-N 0 3 240.350 3.407 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000618767537 369215006 /nfs/dbraw/zinc/21/50/06/369215006.db2.gz ORTGABLDHPGGEL-MRXNPFEDSA-N 0 3 240.350 3.407 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2cc(F)ccc2C1 ZINC000618887956 352162229 /nfs/dbraw/zinc/16/22/29/352162229.db2.gz NUBPBHGJGAXPNZ-GFCCVEGCSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2cc(F)ccc2C1 ZINC000618887971 352162448 /nfs/dbraw/zinc/16/24/48/352162448.db2.gz NUBPBHGJGAXPNZ-LBPRGKRZSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2ccc(F)cc2C1 ZINC000618888410 386239633 /nfs/dbraw/zinc/23/96/33/386239633.db2.gz RZKNIEFDRBCINJ-GFCCVEGCSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2ccc(F)cc2C1 ZINC000618888412 386239301 /nfs/dbraw/zinc/23/93/01/386239301.db2.gz RZKNIEFDRBCINJ-LBPRGKRZSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@@H]1C[C@H](C)N1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286409 369310634 /nfs/dbraw/zinc/31/06/34/369310634.db2.gz LPHOYCBJFRIMDA-BETUJISGSA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@@H]1C[C@@H](C)N1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286410 369310677 /nfs/dbraw/zinc/31/06/77/369310677.db2.gz LPHOYCBJFRIMDA-CHWSQXEVSA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@H]1C[C@H](C)N1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286411 369310741 /nfs/dbraw/zinc/31/07/41/369310741.db2.gz LPHOYCBJFRIMDA-STQMWFEESA-N 0 3 242.366 3.470 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000619428966 369347043 /nfs/dbraw/zinc/34/70/43/369347043.db2.gz WPIPWBBWAILRSY-JTQLQIEISA-N 0 3 244.329 3.340 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000619428967 369346874 /nfs/dbraw/zinc/34/68/74/369346874.db2.gz WPIPWBBWAILRSY-SNVBAGLBSA-N 0 3 244.329 3.340 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CCC(C)=C(C)C1 ZINC000619517016 411172957 /nfs/dbraw/zinc/17/29/57/411172957.db2.gz IZWDPCDRXORLPS-UHFFFAOYSA-N 0 3 240.350 3.409 20 30 BGEDHN CCCc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000619530077 398295076 /nfs/dbraw/zinc/29/50/76/398295076.db2.gz VKKPOIHPNHTGRE-UHFFFAOYSA-N 0 3 242.366 3.423 20 30 BGEDHN N#CCC1(CNCc2ccccc2C2CC2)CC1 ZINC000619530081 398295473 /nfs/dbraw/zinc/29/54/73/398295473.db2.gz YHXFGDMHPQYVKQ-UHFFFAOYSA-N 0 3 240.350 3.347 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CC(C)=C[C@@H](C)C1 ZINC000619532313 369464331 /nfs/dbraw/zinc/46/43/31/369464331.db2.gz MRILPSMUMCLMNI-GFCCVEGCSA-N 0 3 240.350 3.265 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CC(C)=C[C@H](C)C1 ZINC000619532314 369464010 /nfs/dbraw/zinc/46/40/10/369464010.db2.gz MRILPSMUMCLMNI-LBPRGKRZSA-N 0 3 240.350 3.265 20 30 BGEDHN N#CCC1(CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000619535095 352413657 /nfs/dbraw/zinc/41/36/57/352413657.db2.gz CKGVTSDSBSWPHR-CYBMUJFWSA-N 0 3 246.379 3.483 20 30 BGEDHN N#CCC1(CN[C@H](c2cccs2)C2CC2)CC1 ZINC000619535096 352413537 /nfs/dbraw/zinc/41/35/37/352413537.db2.gz CKGVTSDSBSWPHR-ZDUSSCGKSA-N 0 3 246.379 3.483 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000619535189 369466594 /nfs/dbraw/zinc/46/65/94/369466594.db2.gz FSYVEUIWSKMMNS-NXEZZACHSA-N 0 3 246.276 3.001 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000619535190 369467233 /nfs/dbraw/zinc/46/72/33/369467233.db2.gz FSYVEUIWSKMMNS-UWVGGRQHSA-N 0 3 246.276 3.001 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000619535191 369466406 /nfs/dbraw/zinc/46/64/06/369466406.db2.gz FSYVEUIWSKMMNS-VHSXEESVSA-N 0 3 246.276 3.001 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000619535192 369466792 /nfs/dbraw/zinc/46/67/92/369466792.db2.gz FSYVEUIWSKMMNS-ZJUUUORDSA-N 0 3 246.276 3.001 20 30 BGEDHN CC[C@H](CNCC1(C#N)CC1)c1ccccc1 ZINC000619535202 369466730 /nfs/dbraw/zinc/46/67/30/369466730.db2.gz IZADJMPRAGYSLZ-CYBMUJFWSA-N 0 3 228.339 3.074 20 30 BGEDHN CC[C@@H](CNCC1(C#N)CC1)c1ccccc1 ZINC000619535203 369467201 /nfs/dbraw/zinc/46/72/01/369467201.db2.gz IZADJMPRAGYSLZ-ZDUSSCGKSA-N 0 3 228.339 3.074 20 30 BGEDHN C[C@H](NCC1(C#N)CC1)C1CCC(F)(F)CC1 ZINC000619535225 369467304 /nfs/dbraw/zinc/46/73/04/369467304.db2.gz ULDQZAVSAQNQDX-JTQLQIEISA-N 0 3 242.313 3.094 20 30 BGEDHN C[C@@H](NCC1(C#N)CC1)C1CCC(F)(F)CC1 ZINC000619535226 369466531 /nfs/dbraw/zinc/46/65/31/369466531.db2.gz ULDQZAVSAQNQDX-SNVBAGLBSA-N 0 3 242.313 3.094 20 30 BGEDHN Cc1cc([C@H](C)NCC2(CC#N)CC2)ccc1F ZINC000619535326 369466452 /nfs/dbraw/zinc/46/64/52/369466452.db2.gz NHIKHCLVZMUWAK-LBPRGKRZSA-N 0 3 246.329 3.479 20 30 BGEDHN Cc1ccc([C@@H](C)NCC2(CC#N)CC2)c(C)n1 ZINC000619535340 369466415 /nfs/dbraw/zinc/46/64/15/369466415.db2.gz WBDOQZIVJKHOGQ-GFCCVEGCSA-N 0 3 243.354 3.043 20 30 BGEDHN Cc1ccc([C@H](C)NCC2(CC#N)CC2)c(C)n1 ZINC000619535341 369467425 /nfs/dbraw/zinc/46/74/25/369467425.db2.gz WBDOQZIVJKHOGQ-LBPRGKRZSA-N 0 3 243.354 3.043 20 30 BGEDHN Cc1cc(C#N)ccc1CN1CCC=C(C)C1 ZINC000619554161 369477146 /nfs/dbraw/zinc/47/71/46/369477146.db2.gz UPEKEMDDWVAKAC-UHFFFAOYSA-N 0 3 226.323 3.019 20 30 BGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccoc1 ZINC000619611745 369492434 /nfs/dbraw/zinc/49/24/34/369492434.db2.gz CRSGSIGQSUSCMV-GFCCVEGCSA-N 0 3 240.306 3.045 20 30 BGEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccoc1 ZINC000619611746 369492850 /nfs/dbraw/zinc/49/28/50/369492850.db2.gz CRSGSIGQSUSCMV-LBPRGKRZSA-N 0 3 240.306 3.045 20 30 BGEDHN CC(C)C[C@H](C)CN1CCC[C@@](C)(C#N)C1 ZINC000619621207 369496246 /nfs/dbraw/zinc/49/62/46/369496246.db2.gz NRXHDYIENHRUIE-KBPBESRZSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)C[C@@H](C)CN1CCC[C@@](C)(C#N)C1 ZINC000619621208 369496071 /nfs/dbraw/zinc/49/60/71/369496071.db2.gz NRXHDYIENHRUIE-KGLIPLIRSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)C[C@H](C)CN1CCC[C@](C)(C#N)C1 ZINC000619621209 369496495 /nfs/dbraw/zinc/49/64/95/369496495.db2.gz NRXHDYIENHRUIE-UONOGXRCSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)C[C@@H](C)CN1CCC[C@](C)(C#N)C1 ZINC000619621210 369496420 /nfs/dbraw/zinc/49/64/20/369496420.db2.gz NRXHDYIENHRUIE-ZIAGYGMSSA-N 0 3 222.376 3.294 20 30 BGEDHN CC(C)OC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000619715311 369545828 /nfs/dbraw/zinc/54/58/28/369545828.db2.gz CRFKKJYWVYHRDQ-CHWSQXEVSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000619715312 369546298 /nfs/dbraw/zinc/54/62/98/369546298.db2.gz CRFKKJYWVYHRDQ-OLZOCXBDSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000619715313 369545914 /nfs/dbraw/zinc/54/59/14/369545914.db2.gz CRFKKJYWVYHRDQ-QWHCGFSZSA-N 0 3 246.354 3.022 20 30 BGEDHN CC(C)OC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000619715314 369546105 /nfs/dbraw/zinc/54/61/05/369546105.db2.gz CRFKKJYWVYHRDQ-STQMWFEESA-N 0 3 246.354 3.022 20 30 BGEDHN N#Cc1ccc(CN[C@H]2CCC23CCC3)c(F)c1 ZINC000619723909 369555803 /nfs/dbraw/zinc/55/58/03/369555803.db2.gz RGQZRARRMTZXOK-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(CN[C@@H]2CCC23CCC3)c(F)c1 ZINC000619723910 369555724 /nfs/dbraw/zinc/55/57/24/369555724.db2.gz RGQZRARRMTZXOK-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN CC(C)N(CCC#N)C[C@@H](C)C(C)(C)C ZINC000619843810 369615847 /nfs/dbraw/zinc/61/58/47/369615847.db2.gz MCOMZGMGGSDPMF-GFCCVEGCSA-N 0 3 210.365 3.293 20 30 BGEDHN CC(C)N(CCC#N)C[C@H](C)C(C)(C)C ZINC000619843811 369615831 /nfs/dbraw/zinc/61/58/31/369615831.db2.gz MCOMZGMGGSDPMF-LBPRGKRZSA-N 0 3 210.365 3.293 20 30 BGEDHN CCN(C[C@H](C)C(C)(C)C)C[C@H](C)C#N ZINC000619843872 369616443 /nfs/dbraw/zinc/61/64/43/369616443.db2.gz YWAUBRKVOYNHFY-NEPJUHHUSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)C(C)(C)C ZINC000619843873 369616591 /nfs/dbraw/zinc/61/65/91/369616591.db2.gz YWAUBRKVOYNHFY-NWDGAFQWSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@@H](C)C#N)C[C@H](C)C(C)(C)C ZINC000619843874 369616256 /nfs/dbraw/zinc/61/62/56/369616256.db2.gz YWAUBRKVOYNHFY-RYUDHWBXSA-N 0 3 210.365 3.150 20 30 BGEDHN CCN(C[C@H](C)C#N)C[C@@H](C)C(C)(C)C ZINC000619843875 369615956 /nfs/dbraw/zinc/61/59/56/369615956.db2.gz YWAUBRKVOYNHFY-VXGBXAGGSA-N 0 3 210.365 3.150 20 30 BGEDHN C[C@H](CN(CCC#N)CC1CC1)C(C)(C)C ZINC000619844227 369616513 /nfs/dbraw/zinc/61/65/13/369616513.db2.gz AWHZIZBJADKXKZ-GFCCVEGCSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](CN(CCC#N)CC1CC1)C(C)(C)C ZINC000619844228 369616523 /nfs/dbraw/zinc/61/65/23/369616523.db2.gz AWHZIZBJADKXKZ-LBPRGKRZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](CN(C[C@H](C)C#N)C1CC1)C(C)(C)C ZINC000619844590 369617023 /nfs/dbraw/zinc/61/70/23/369617023.db2.gz XOPCFNJYEWLNSL-NEPJUHHUSA-N 0 3 222.376 3.293 20 30 BGEDHN C[C@@H](C#N)CN(C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844591 369617910 /nfs/dbraw/zinc/61/79/10/369617910.db2.gz XOPCFNJYEWLNSL-NWDGAFQWSA-N 0 3 222.376 3.293 20 30 BGEDHN C[C@@H](C#N)CN(C[C@H](C)C(C)(C)C)C1CC1 ZINC000619844592 369617821 /nfs/dbraw/zinc/61/78/21/369617821.db2.gz XOPCFNJYEWLNSL-RYUDHWBXSA-N 0 3 222.376 3.293 20 30 BGEDHN C[C@H](C#N)CN(C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844593 369617926 /nfs/dbraw/zinc/61/79/26/369617926.db2.gz XOPCFNJYEWLNSL-VXGBXAGGSA-N 0 3 222.376 3.293 20 30 BGEDHN C[C@@H](CN1CCC[C@](C)(C#N)C1)C(C)(C)C ZINC000619845546 369617685 /nfs/dbraw/zinc/61/76/85/369617685.db2.gz PJTKEZXLUDOPBN-GXTWGEPZSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@@H](CN1CCC[C@@](C)(C#N)C1)C(C)(C)C ZINC000619845547 369617072 /nfs/dbraw/zinc/61/70/72/369617072.db2.gz PJTKEZXLUDOPBN-JSGCOSHPSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H](CN1CCC[C@@](C)(C#N)C1)C(C)(C)C ZINC000619845548 369617537 /nfs/dbraw/zinc/61/75/37/369617537.db2.gz PJTKEZXLUDOPBN-OCCSQVGLSA-N 0 3 222.376 3.294 20 30 BGEDHN C[C@H](CN1CCC[C@](C)(C#N)C1)C(C)(C)C ZINC000619845549 369617594 /nfs/dbraw/zinc/61/75/94/369617594.db2.gz PJTKEZXLUDOPBN-TZMCWYRMSA-N 0 3 222.376 3.294 20 30 BGEDHN C=CCCCN(C)Cc1cncc(Cl)c1 ZINC000621258697 370192281 /nfs/dbraw/zinc/19/22/81/370192281.db2.gz VQYBGKXJPDPIKU-UHFFFAOYSA-N 0 3 224.735 3.133 20 30 BGEDHN C=CCN(C)[C@H](C)c1cc(C)ccc1C ZINC000621281422 370213275 /nfs/dbraw/zinc/21/32/75/370213275.db2.gz NDQNRMXBFADWSS-CYBMUJFWSA-N 0 3 203.329 3.482 20 30 BGEDHN C=CCN(C)[C@@H](C)c1cc(C)ccc1C ZINC000621281423 370213157 /nfs/dbraw/zinc/21/31/57/370213157.db2.gz NDQNRMXBFADWSS-ZDUSSCGKSA-N 0 3 203.329 3.482 20 30 BGEDHN C=C(C)CN(CCOC)Cc1ccc(C)cc1C ZINC000621304167 370233416 /nfs/dbraw/zinc/23/34/16/370233416.db2.gz CANIDCAQWUBYIH-UHFFFAOYSA-N 0 3 247.382 3.328 20 30 BGEDHN C=CCN(CCOC)Cc1ccc(C(C)C)cc1 ZINC000621306483 398303889 /nfs/dbraw/zinc/30/38/89/398303889.db2.gz QJBACCUOJWPZPF-UHFFFAOYSA-N 0 3 247.382 3.444 20 30 BGEDHN C=CCN(Cc1ccc(C)cc1C)[C@@H](C)COC ZINC000621316518 370243397 /nfs/dbraw/zinc/24/33/97/370243397.db2.gz CQFODYLYGOFYGV-HNNXBMFYSA-N 0 3 247.382 3.326 20 30 BGEDHN C=CCN(Cc1ccc(C)cc1C)[C@H](C)COC ZINC000621316519 370244345 /nfs/dbraw/zinc/24/43/45/370244345.db2.gz CQFODYLYGOFYGV-OAHLLOKOSA-N 0 3 247.382 3.326 20 30 BGEDHN C=CCN(Cc1ccc(C)cc1)[C@@H](C)COC ZINC000621317467 370244323 /nfs/dbraw/zinc/24/43/23/370244323.db2.gz DYFWTHUHWYIBRB-AWEZNQCLSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1ccc(C)cc1)[C@H](C)COC ZINC000621317468 370244135 /nfs/dbraw/zinc/24/41/35/370244135.db2.gz DYFWTHUHWYIBRB-CQSZACIVSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1ccc(CC)cc1)[C@@H](C)COC ZINC000621317602 342788789 /nfs/dbraw/zinc/78/87/89/342788789.db2.gz NVHMTFNIOLOZMK-AWEZNQCLSA-N 0 3 247.382 3.272 20 30 BGEDHN C=CCN(Cc1ccc(CC)cc1)[C@H](C)COC ZINC000621317603 342788857 /nfs/dbraw/zinc/78/88/57/342788857.db2.gz NVHMTFNIOLOZMK-CQSZACIVSA-N 0 3 247.382 3.272 20 30 BGEDHN C=CCN(Cc1cccc(C)c1)[C@@H](C)COC ZINC000621317782 370244871 /nfs/dbraw/zinc/24/48/71/370244871.db2.gz ZIVPMZPFALUOKF-AWEZNQCLSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1cccc(C)c1)[C@H](C)COC ZINC000621317783 370245588 /nfs/dbraw/zinc/24/55/88/370245588.db2.gz ZIVPMZPFALUOKF-CQSZACIVSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1ccccc1C)[C@@H](C)COC ZINC000621317789 370245157 /nfs/dbraw/zinc/24/51/57/370245157.db2.gz ZMYPXTPBOXIDMW-AWEZNQCLSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1ccccc1C)[C@H](C)COC ZINC000621317790 370245557 /nfs/dbraw/zinc/24/55/57/370245557.db2.gz ZMYPXTPBOXIDMW-CQSZACIVSA-N 0 3 233.355 3.018 20 30 BGEDHN C=CCN(Cc1ccnc(C)c1)C(C)(C)C ZINC000621321652 370249798 /nfs/dbraw/zinc/24/97/98/370249798.db2.gz RLFUHDLHPVDSAK-UHFFFAOYSA-N 0 3 218.344 3.177 20 30 BGEDHN C=C[C@H](C)NCc1ccc(CCC)s1 ZINC000621340395 370273889 /nfs/dbraw/zinc/27/38/89/370273889.db2.gz CWUCARXNHTZZPX-JTQLQIEISA-N 0 3 209.358 3.365 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(CCC)s1 ZINC000621340396 370273867 /nfs/dbraw/zinc/27/38/67/370273867.db2.gz CWUCARXNHTZZPX-SNVBAGLBSA-N 0 3 209.358 3.365 20 30 BGEDHN C=C(C)CNCc1ccc(CCC)s1 ZINC000621351949 370287777 /nfs/dbraw/zinc/28/77/77/370287777.db2.gz HMBAGWSHYOZYRX-UHFFFAOYSA-N 0 3 209.358 3.366 20 30 BGEDHN C=CCC1(NCc2nccnc2C)CCCCC1 ZINC000621359343 370293329 /nfs/dbraw/zinc/29/33/29/370293329.db2.gz DJXDDSGAIUTWRM-UHFFFAOYSA-N 0 3 245.370 3.154 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nccnc1C ZINC000621369824 370304917 /nfs/dbraw/zinc/30/49/17/370304917.db2.gz WQEVPHRSJUCXFB-KBPBESRZSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nccnc1C ZINC000621369825 370305044 /nfs/dbraw/zinc/30/50/44/370305044.db2.gz WQEVPHRSJUCXFB-KGLIPLIRSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nccnc1C ZINC000621369826 370305226 /nfs/dbraw/zinc/30/52/26/370305226.db2.gz WQEVPHRSJUCXFB-UONOGXRCSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccnc1C ZINC000621369827 370304674 /nfs/dbraw/zinc/30/46/74/370304674.db2.gz WQEVPHRSJUCXFB-ZIAGYGMSSA-N 0 3 245.370 3.010 20 30 BGEDHN C=C(C)CCN(C)Cc1c(C)cc(C)nc1OC ZINC000621388607 370331361 /nfs/dbraw/zinc/33/13/61/370331361.db2.gz CIINYUDUWIELCI-UHFFFAOYSA-N 0 3 248.370 3.105 20 30 BGEDHN C=CCN(C)Cc1ccc(CCC)s1 ZINC000621722525 343868330 /nfs/dbraw/zinc/86/83/30/343868330.db2.gz AEBKQFUBIWZYMB-UHFFFAOYSA-N 0 3 209.358 3.318 20 30 BGEDHN C=CCC[C@@H](C)NCc1cc(OC)ccc1F ZINC000621733475 370488600 /nfs/dbraw/zinc/48/86/00/370488600.db2.gz NCZBJHPFWMTPEE-LLVKDONJSA-N 0 3 237.318 3.279 20 30 BGEDHN C=CCC[C@H](C)NCc1cc(OC)ccc1F ZINC000621733476 370488819 /nfs/dbraw/zinc/48/88/19/370488819.db2.gz NCZBJHPFWMTPEE-NSHDSACASA-N 0 3 237.318 3.279 20 30 BGEDHN C=CCNCc1csc(C(F)(F)F)c1 ZINC000623336867 356728706 /nfs/dbraw/zinc/72/87/06/356728706.db2.gz JSZZCQDCGSXPOS-UHFFFAOYSA-N 0 3 221.247 3.043 20 30 BGEDHN C=C[C@@H](C)NCc1ccc(Cl)c(OC)c1 ZINC000623445466 398130971 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ZINC000625702416 344046315 /nfs/dbraw/zinc/04/63/15/344046315.db2.gz FTYJIHGHQINORM-OAHLLOKOSA-N 0 3 243.325 3.075 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cc(F)ccc2OC)C1 ZINC000625702976 344047614 /nfs/dbraw/zinc/04/76/14/344047614.db2.gz KHRZJOHOBGGUKI-GFCCVEGCSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cc(F)ccc2OC)C1 ZINC000625702980 344047213 /nfs/dbraw/zinc/04/72/13/344047213.db2.gz KHRZJOHOBGGUKI-LBPRGKRZSA-N 0 3 249.329 3.232 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2c(C)nsc2C)C1 ZINC000625703272 344048111 /nfs/dbraw/zinc/04/81/11/344048111.db2.gz RRQNODFSUFPSMT-GFCCVEGCSA-N 0 3 236.384 3.158 20 30 BGEDHN C=CC[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC000625703276 344048337 /nfs/dbraw/zinc/04/83/37/344048337.db2.gz RRQNODFSUFPSMT-LBPRGKRZSA-N 0 3 236.384 3.158 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000625703850 344048290 /nfs/dbraw/zinc/04/82/90/344048290.db2.gz UJQNTHRHHVTYKY-AWEZNQCLSA-N 0 3 243.350 3.287 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000625703851 344048128 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247.382 3.281 20 30 BGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1cc(C)ccc1C ZINC000626020331 344675372 /nfs/dbraw/zinc/67/53/72/344675372.db2.gz HASOCBHRNSGQRT-HOTGVXAUSA-N 0 3 247.382 3.281 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1cc(C)ccc1C ZINC000626020332 344675529 /nfs/dbraw/zinc/67/55/29/344675529.db2.gz HASOCBHRNSGQRT-HZPDHXFCSA-N 0 3 247.382 3.281 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1cc(C)ccc1C ZINC000626020333 344675464 /nfs/dbraw/zinc/67/54/64/344675464.db2.gz HASOCBHRNSGQRT-JKSUJKDBSA-N 0 3 247.382 3.281 20 30 BGEDHN C=CCCC[C@@H](C)N1CCc2c(O)cccc2C1 ZINC000626028335 344681357 /nfs/dbraw/zinc/68/13/57/344681357.db2.gz FVQFFUMKQUOCBO-CYBMUJFWSA-N 0 3 245.366 3.495 20 30 BGEDHN C=CCCC[C@H](C)N1CCc2c(O)cccc2C1 ZINC000626028336 344680985 /nfs/dbraw/zinc/68/09/85/344680985.db2.gz FVQFFUMKQUOCBO-ZDUSSCGKSA-N 0 3 245.366 3.495 20 30 BGEDHN C=CCCCCN1CCc2c(O)cccc2C1 ZINC000626028760 344681107 /nfs/dbraw/zinc/68/11/07/344681107.db2.gz XHJDKKRZEPIMKR-UHFFFAOYSA-N 0 3 231.339 3.107 20 30 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C=CCOc1ccc(CNCC(C)(C)F)cc1 ZINC000631190552 360538608 /nfs/dbraw/zinc/53/86/08/360538608.db2.gz JPTXYSJGSBFYDV-UHFFFAOYSA-N 0 3 237.318 3.089 20 30 BGEDHN C=CCOc1cccc(CNCC(C)(C)F)c1 ZINC000631191033 411283905 /nfs/dbraw/zinc/28/39/05/411283905.db2.gz NQDZUDPNDZZURK-UHFFFAOYSA-N 0 3 237.318 3.089 20 30 BGEDHN C=CCCC(C)(C)CNCc1ccccn1 ZINC000631216780 372240685 /nfs/dbraw/zinc/24/06/85/372240685.db2.gz ALAAHXIVSNWIHC-UHFFFAOYSA-N 0 3 218.344 3.164 20 30 BGEDHN C=CCCC(C)(C)CNCc1nccs1 ZINC000631217790 372240826 /nfs/dbraw/zinc/24/08/26/372240826.db2.gz FJHUHFGIVZELFN-UHFFFAOYSA-N 0 3 224.373 3.225 20 30 BGEDHN C=CCCC(C)(C)CNCc1cnc(CC)nc1 ZINC000631217853 361177519 /nfs/dbraw/zinc/17/75/19/361177519.db2.gz FYMCMTXORNZYCO-UHFFFAOYSA-N 0 3 247.386 3.121 20 30 BGEDHN C=CCCC(C)(C)CNCc1conc1C ZINC000631217876 372240554 /nfs/dbraw/zinc/24/05/54/372240554.db2.gz GPLPWTXLCCRKRS-UHFFFAOYSA-N 0 3 222.332 3.065 20 30 BGEDHN C=CCCC(C)(C)CNCc1ccncc1F ZINC000631218892 361182501 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231.339 3.240 20 30 BGEDHN C=C(C)CNC1(c2cccc(F)c2)CCC1 ZINC000646003285 388123295 /nfs/dbraw/zinc/12/32/95/388123295.db2.gz ZNBNVLWOJUEBNT-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN C=C(C)CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646018713 388125020 /nfs/dbraw/zinc/12/50/20/388125020.db2.gz MZFJHBCGPXNMSP-UHFFFAOYSA-N 0 3 230.355 3.178 20 30 BGEDHN CC#CCCN(Cc1ccc(C)nc1)CC1CC1 ZINC000646020204 388125745 /nfs/dbraw/zinc/12/57/45/388125745.db2.gz OOCYKGBFJSJHOD-UHFFFAOYSA-N 0 3 242.366 3.015 20 30 BGEDHN C=CCNC1(c2cccc(C)c2)CCC1 ZINC000646020910 388125391 /nfs/dbraw/zinc/12/53/91/388125391.db2.gz GTUBINZAGNXDOM-UHFFFAOYSA-N 0 3 201.313 3.150 20 30 BGEDHN C=CCOCCNC1(c2cccc(C)c2)CCC1 ZINC000646022656 388126331 /nfs/dbraw/zinc/12/63/31/388126331.db2.gz ZLYQQZKNXADTMR-UHFFFAOYSA-N 0 3 245.366 3.166 20 30 BGEDHN C=CCCNC1(c2ccccc2F)CCC1 ZINC000646024888 388126904 /nfs/dbraw/zinc/12/69/04/388126904.db2.gz WBUUIXCQPMENEC-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN C=C(C)CNC1(c2ccccc2F)CCC1 ZINC000646026345 388127511 /nfs/dbraw/zinc/12/75/11/388127511.db2.gz KEUNRCFJEGKLIK-UHFFFAOYSA-N 0 3 219.303 3.371 20 30 BGEDHN C=CCNC1(c2cccc(Cl)c2)CCC1 ZINC000646094777 388141467 /nfs/dbraw/zinc/14/14/67/388141467.db2.gz RVNKSBKNIWBMIM-UHFFFAOYSA-N 0 3 221.731 3.495 20 30 BGEDHN C=CCOCCN[C@H](CC)c1csc(C)c1 ZINC000646127027 388148725 /nfs/dbraw/zinc/14/87/25/388148725.db2.gz HJUOGPVLUNHWKL-CYBMUJFWSA-N 0 3 239.384 3.300 20 30 BGEDHN C=CCOCCN[C@@H](CC)c1csc(C)c1 ZINC000646127028 388149053 /nfs/dbraw/zinc/14/90/53/388149053.db2.gz HJUOGPVLUNHWKL-ZDUSSCGKSA-N 0 3 239.384 3.300 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1csc(C)c1 ZINC000646127653 388149377 /nfs/dbraw/zinc/14/93/77/388149377.db2.gz PTSYYPZHONSVSW-CHWSQXEVSA-N 0 3 239.384 3.034 20 30 BGEDHN C=C(C)[C@H](CO)N[C@H](CC)c1csc(C)c1 ZINC000646127654 388149537 /nfs/dbraw/zinc/14/95/37/388149537.db2.gz PTSYYPZHONSVSW-OLZOCXBDSA-N 0 3 239.384 3.034 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1csc(C)c1 ZINC000646127655 388149682 /nfs/dbraw/zinc/14/96/82/388149682.db2.gz PTSYYPZHONSVSW-QWHCGFSZSA-N 0 3 239.384 3.034 20 30 BGEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1csc(C)c1 ZINC000646127656 388149480 /nfs/dbraw/zinc/14/94/80/388149480.db2.gz PTSYYPZHONSVSW-STQMWFEESA-N 0 3 239.384 3.034 20 30 BGEDHN C=CCOCCNC1(c2ccc(C)cc2)CCC1 ZINC000646130530 388150294 /nfs/dbraw/zinc/15/02/94/388150294.db2.gz WUHSYFSJHGHVLN-UHFFFAOYSA-N 0 3 245.366 3.166 20 30 BGEDHN C=CCNC1(c2ccc(C)cc2)CCC1 ZINC000646131242 398019576 /nfs/dbraw/zinc/01/95/76/398019576.db2.gz GWIUEGSPONFMBE-UHFFFAOYSA-N 0 3 201.313 3.150 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154555 388157519 /nfs/dbraw/zinc/15/75/19/388157519.db2.gz ZBUGIPKDLIHPAL-GRYCIOLGSA-N 0 3 247.304 3.499 20 30 BGEDHN CCC#C[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154556 388157199 /nfs/dbraw/zinc/15/71/99/388157199.db2.gz ZBUGIPKDLIHPAL-SDDRHHMPSA-N 0 3 247.304 3.499 20 30 BGEDHN C=CCCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647299791 385047555 /nfs/dbraw/zinc/04/75/55/385047555.db2.gz FXKXAZHREZTHKB-CYBMUJFWSA-N 0 3 247.386 3.226 20 30 BGEDHN C=CCCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647299792 385049953 /nfs/dbraw/zinc/04/99/53/385049953.db2.gz FXKXAZHREZTHKB-ZDUSSCGKSA-N 0 3 247.386 3.226 20 30 BGEDHN C=CC[C@@H](CC)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647302484 385137384 /nfs/dbraw/zinc/13/73/84/385137384.db2.gz BGYXFKCZYSQWCZ-CHWSQXEVSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CC[C@H](CC)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647302485 385136932 /nfs/dbraw/zinc/13/69/32/385136932.db2.gz BGYXFKCZYSQWCZ-OLZOCXBDSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302486 385136510 /nfs/dbraw/zinc/13/65/10/385136510.db2.gz BGYXFKCZYSQWCZ-QWHCGFSZSA-N 0 3 247.386 3.225 20 30 BGEDHN C=CC[C@H](CC)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302487 385136161 /nfs/dbraw/zinc/13/61/61/385136161.db2.gz BGYXFKCZYSQWCZ-STQMWFEESA-N 0 3 247.386 3.225 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647306088 385198845 /nfs/dbraw/zinc/19/88/45/385198845.db2.gz WWPUACLGTFPEFP-GFCCVEGCSA-N 0 3 247.386 3.082 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647306089 385198018 /nfs/dbraw/zinc/19/80/18/385198018.db2.gz WWPUACLGTFPEFP-LBPRGKRZSA-N 0 3 247.386 3.082 20 30 BGEDHN C=C[C@@H](C)NCc1cc2cc(Cl)cnc2o1 ZINC000648474776 387366373 /nfs/dbraw/zinc/36/63/73/387366373.db2.gz COJFSQGMRRMOPC-MRVPVSSYSA-N 0 3 236.702 3.145 20 30 BGEDHN C=C[C@H](C)NCc1cc2cc(Cl)cnc2o1 ZINC000648474777 387366414 /nfs/dbraw/zinc/36/64/14/387366414.db2.gz COJFSQGMRRMOPC-QMMMGPOBSA-N 0 3 236.702 3.145 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cc(C)ncn1 ZINC000648489659 387389945 /nfs/dbraw/zinc/38/99/45/387389945.db2.gz ATVMJUONLVYAOJ-GFCCVEGCSA-N 0 3 233.359 3.010 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cc(C)ncn1 ZINC000648489660 387389746 /nfs/dbraw/zinc/38/97/46/387389746.db2.gz ATVMJUONLVYAOJ-LBPRGKRZSA-N 0 3 233.359 3.010 20 30 BGEDHN C=CCN(C)Cc1cc2cc(Cl)cnc2o1 ZINC000648529126 387826832 /nfs/dbraw/zinc/82/68/32/387826832.db2.gz QGEMEPXOHKSNDV-UHFFFAOYSA-N 0 3 236.702 3.099 20 30 BGEDHN C=C(C)CNCc1cc2cc(Cl)cnc2o1 ZINC000648536802 387142268 /nfs/dbraw/zinc/14/22/68/387142268.db2.gz IMCCDWRASOTGHG-UHFFFAOYSA-N 0 3 236.702 3.147 20 30 BGEDHN C=C(C)CCNCc1nc2c(s1)CCCC2 ZINC000648727245 388415521 /nfs/dbraw/zinc/41/55/21/388415521.db2.gz RKEBPLLAPZAHFN-UHFFFAOYSA-N 0 3 236.384 3.078 20 30 BGEDHN C=C(C)CCNCc1cscc1Cl ZINC000648727247 388415460 /nfs/dbraw/zinc/41/54/60/388415460.db2.gz SLUBEVNHGQBDMA-UHFFFAOYSA-N 0 3 215.749 3.457 20 30 BGEDHN C=C(C)CCNCc1ncccc1C(F)(F)F ZINC000648727254 388415700 /nfs/dbraw/zinc/41/57/00/388415700.db2.gz ZGFCACODHPTSAG-UHFFFAOYSA-N 0 3 244.260 3.156 20 30 BGEDHN C=CCC1(CNCc2nccs2)CCCC1 ZINC000648788882 388358001 /nfs/dbraw/zinc/35/80/01/388358001.db2.gz ZGSJAPLJPAHEMS-UHFFFAOYSA-N 0 3 236.384 3.369 20 30 BGEDHN C=C(CC)CNCc1nccc2ccccc21 ZINC000648840069 388449280 /nfs/dbraw/zinc/44/92/80/388449280.db2.gz NXJCYGMRAFRCHQ-UHFFFAOYSA-N 0 3 226.323 3.291 20 30 BGEDHN C=C(CC)CNCc1cc2ccccc2[nH]1 ZINC000648840269 388449938 /nfs/dbraw/zinc/44/99/38/388449938.db2.gz OZJHRSALORYULI-UHFFFAOYSA-N 0 3 214.312 3.224 20 30 BGEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(C(C)C)cc1 ZINC000649241790 388467258 /nfs/dbraw/zinc/46/72/58/388467258.db2.gz ZYWKZQULLRPYIY-INIZCTEOSA-N 0 3 247.382 3.179 20 30 BGEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(C(C)C)cc1 ZINC000649241791 388467237 /nfs/dbraw/zinc/46/72/37/388467237.db2.gz ZYWKZQULLRPYIY-MRXNPFEDSA-N 0 3 247.382 3.179 20 30 BGEDHN C=CCCCCN1CCOc2ccccc2C1 ZINC000649253509 388471569 /nfs/dbraw/zinc/47/15/69/388471569.db2.gz YEKMJSXSESBGDS-UHFFFAOYSA-N 0 3 231.339 3.237 20 30 BGEDHN C=CCCCCN(CC)Cc1ccoc1 ZINC000649280536 388513195 /nfs/dbraw/zinc/51/31/95/388513195.db2.gz LSKJGWCINQDEKC-UHFFFAOYSA-N 0 3 207.317 3.458 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccccc1)C1CCC1 ZINC000649378468 398186577 /nfs/dbraw/zinc/18/65/77/398186577.db2.gz UJPMICCTAVMWMN-CVEARBPZSA-N 0 3 245.366 3.054 20 30 BGEDHN C=C(C)[C@H](CO)N[C@@H](c1ccccc1)C1CCC1 ZINC000649378469 398185832 /nfs/dbraw/zinc/18/58/32/398185832.db2.gz UJPMICCTAVMWMN-HOTGVXAUSA-N 0 3 245.366 3.054 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@H](c1ccccc1)C1CCC1 ZINC000649378470 398185774 /nfs/dbraw/zinc/18/57/74/398185774.db2.gz UJPMICCTAVMWMN-HZPDHXFCSA-N 0 3 245.366 3.054 20 30 BGEDHN C=C(C)[C@H](CO)N[C@H](c1ccccc1)C1CCC1 ZINC000649378471 398185987 /nfs/dbraw/zinc/18/59/87/398185987.db2.gz UJPMICCTAVMWMN-JKSUJKDBSA-N 0 3 245.366 3.054 20 30 BGEDHN C=CCCCCNC(C)(C)c1nccs1 ZINC000649382076 398189050 /nfs/dbraw/zinc/18/90/50/398189050.db2.gz FCRVVXGTNMFHIC-UHFFFAOYSA-N 0 3 224.373 3.324 20 30 BGEDHN C=CCCCCN(C)[C@H]1CCCc2c1cnn2C ZINC000649392169 398195513 /nfs/dbraw/zinc/19/55/13/398195513.db2.gz ZCBXWCRRLLZBQA-AWEZNQCLSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000649392170 398195431 /nfs/dbraw/zinc/19/54/31/398195431.db2.gz ZCBXWCRRLLZBQA-CQSZACIVSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCCCN1CC2(C1)CC(F)(F)C2 ZINC000649401610 398198765 /nfs/dbraw/zinc/19/87/65/398198765.db2.gz LIQQBEZFOZZYOB-UHFFFAOYSA-N 0 3 215.287 3.074 20 30 BGEDHN C=CCCCCN[C@@H](C)c1c(C)noc1C ZINC000649410966 398210012 /nfs/dbraw/zinc/21/00/12/398210012.db2.gz PYMFQIFIXBDKCG-JTQLQIEISA-N 0 3 222.332 3.298 20 30 BGEDHN C=CCCCCN[C@H](C)c1c(C)noc1C ZINC000649410967 398209890 /nfs/dbraw/zinc/20/98/90/398209890.db2.gz PYMFQIFIXBDKCG-SNVBAGLBSA-N 0 3 222.332 3.298 20 30 BGEDHN C=CCCCCN1CCC[C@@H](OC(F)F)C1 ZINC000649420116 398219306 /nfs/dbraw/zinc/21/93/06/398219306.db2.gz QGSQJTTXVAHKGS-LLVKDONJSA-N 0 3 233.302 3.046 20 30 BGEDHN C=CCCCCN1CCC[C@H](OC(F)F)C1 ZINC000649420117 398219407 /nfs/dbraw/zinc/21/94/07/398219407.db2.gz QGSQJTTXVAHKGS-NSHDSACASA-N 0 3 233.302 3.046 20 30 BGEDHN C=CCCCCN[C@H](C)c1ncc(C)s1 ZINC000649437695 398238804 /nfs/dbraw/zinc/23/88/04/398238804.db2.gz OHCPBQSWBLOPOL-LLVKDONJSA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCCN[C@@H](C)c1ncc(C)s1 ZINC000649437697 398238959 /nfs/dbraw/zinc/23/89/59/398238959.db2.gz OHCPBQSWBLOPOL-NSHDSACASA-N 0 3 224.373 3.458 20 30 BGEDHN C=CCCCN(C)Cc1cc(OC(C)C)ccn1 ZINC000649536789 397926741 /nfs/dbraw/zinc/92/67/41/397926741.db2.gz HGYKEOVTHDPMPZ-UHFFFAOYSA-N 0 3 248.370 3.267 20 30 BGEDHN C=CCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000649542640 541475113 /nfs/dbraw/zinc/47/51/13/541475113.db2.gz MQWCZWMTGPPTOE-UHFFFAOYSA-N 0 3 247.386 3.388 20 30 BGEDHN C=CCN(C)CCO[C@@H](CC)c1ccccc1 ZINC000649588498 397980166 /nfs/dbraw/zinc/98/01/66/397980166.db2.gz POYFVTVCXGUAQU-HNNXBMFYSA-N 0 3 233.355 3.272 20 30 BGEDHN C=CCN(C)CCO[C@H](CC)c1ccccc1 ZINC000649588499 397979930 /nfs/dbraw/zinc/97/99/30/397979930.db2.gz POYFVTVCXGUAQU-OAHLLOKOSA-N 0 3 233.355 3.272 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2ccncc2)C1 ZINC000649604757 487769326 /nfs/dbraw/zinc/76/93/26/487769326.db2.gz HZIJALBBVIPRCD-GDBMZVCRSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@@H](c2ccncc2)C1 ZINC000649604758 487769467 /nfs/dbraw/zinc/76/94/67/487769467.db2.gz HZIJALBBVIPRCD-GOEBONIOSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@H](c2ccncc2)C1 ZINC000649604759 487768843 /nfs/dbraw/zinc/76/88/43/487768843.db2.gz HZIJALBBVIPRCD-HOCLYGCPSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@H](c2ccncc2)C1 ZINC000649604760 487769338 /nfs/dbraw/zinc/76/93/38/487769338.db2.gz HZIJALBBVIPRCD-ZBFHGGJFSA-N 0 3 242.366 3.063 20 30 BGEDHN C=CCNC1(c2ccccc2Cl)CCC1 ZINC000649643024 398018461 /nfs/dbraw/zinc/01/84/61/398018461.db2.gz WINNUUWDBJSMHR-UHFFFAOYSA-N 0 3 221.731 3.495 20 30 BGEDHN C=CCOCCNC1(c2ccccc2C)CCC1 ZINC000649644448 398019448 /nfs/dbraw/zinc/01/94/48/398019448.db2.gz BZQGGDUINIQIPH-UHFFFAOYSA-N 0 3 245.366 3.166 20 30 BGEDHN C=CCNC1(c2ccccc2C)CCC1 ZINC000649645555 398020190 /nfs/dbraw/zinc/02/01/90/398020190.db2.gz ZJMWVANFQMHYJG-UHFFFAOYSA-N 0 3 201.313 3.150 20 30 BGEDHN Fc1ccc(C#CCN2CCC23CCCC3)cc1 ZINC000649657991 398025892 /nfs/dbraw/zinc/02/58/92/398025892.db2.gz ULCXPZZQPCSDHM-UHFFFAOYSA-N 0 3 243.325 3.196 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC12CCCC2 ZINC000649658053 398026059 /nfs/dbraw/zinc/02/60/59/398026059.db2.gz WKVYILGSUPEIRX-UHFFFAOYSA-N 0 3 225.335 3.057 20 30 BGEDHN C=CCN(C)[C@H](C)CSc1ccccc1 ZINC000649664912 398030233 /nfs/dbraw/zinc/03/02/33/398030233.db2.gz VYIBHJNWJFIUDE-GFCCVEGCSA-N 0 3 221.369 3.285 20 30 BGEDHN C=CCN(C)[C@@H](C)CSc1ccccc1 ZINC000649664913 398029709 /nfs/dbraw/zinc/02/97/09/398029709.db2.gz VYIBHJNWJFIUDE-LBPRGKRZSA-N 0 3 221.369 3.285 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000649689102 490200494 /nfs/dbraw/zinc/20/04/94/490200494.db2.gz GBMNRRDBFSFNDJ-BLLLJJGKSA-N 0 3 245.366 3.152 20 30 BGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000649689103 490200190 /nfs/dbraw/zinc/20/01/90/490200190.db2.gz GBMNRRDBFSFNDJ-LRDDRELGSA-N 0 3 245.366 3.152 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(C2CC2)c1 ZINC000649689104 490200685 /nfs/dbraw/zinc/20/06/85/490200685.db2.gz GBMNRRDBFSFNDJ-MLGOLLRUSA-N 0 3 245.366 3.152 20 30 BGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(C2CC2)c1 ZINC000649689105 490200174 /nfs/dbraw/zinc/20/01/74/490200174.db2.gz GBMNRRDBFSFNDJ-WBMJQRKESA-N 0 3 245.366 3.152 20 30 BGEDHN Fc1ccc(C#CCNC2(C3CCC3)CC2)cc1 ZINC000649810382 398117021 /nfs/dbraw/zinc/11/70/21/398117021.db2.gz IPZSLBYXXMKENE-UHFFFAOYSA-N 0 3 243.325 3.100 20 30 BGEDHN C=CCCCN(Cc1cnn(CC)c1)C(C)C ZINC000649812966 398118811 /nfs/dbraw/zinc/11/88/11/398118811.db2.gz QHHQVRCCOOERMF-UHFFFAOYSA-N 0 3 235.375 3.080 20 30 BGEDHN C=C(CC)CN(Cc1cnn(CC)c1)C(C)C ZINC000649814407 398119817 /nfs/dbraw/zinc/11/98/17/398119817.db2.gz NBZKXIWCDVQQMY-UHFFFAOYSA-N 0 3 235.375 3.080 20 30 BGEDHN C=CCCCCN(Cc1cnn(CC)c1)C(C)C ZINC000649814439 398119768 /nfs/dbraw/zinc/11/97/68/398119768.db2.gz OJSRXAYTICYYJJ-UHFFFAOYSA-N 0 3 249.402 3.470 20 30 BGEDHN C=C(C)CCN(Cc1cnn(CC)c1)C(C)C ZINC000649814660 398119923 /nfs/dbraw/zinc/11/99/23/398119923.db2.gz YKMXMJAQOJPIOG-UHFFFAOYSA-N 0 3 235.375 3.080 20 30 BGEDHN C=CCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649885558 398163541 /nfs/dbraw/zinc/16/35/41/398163541.db2.gz USKBBJUGELFUGX-UHFFFAOYSA-N 0 3 241.256 3.470 20 30 BGEDHN C=CCCCCN(C)Cc1ccc(C)cn1 ZINC000649904417 398176845 /nfs/dbraw/zinc/17/68/45/398176845.db2.gz XGHMJMLEXMATLY-UHFFFAOYSA-N 0 3 218.344 3.178 20 30 BGEDHN C=CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649918415 398188070 /nfs/dbraw/zinc/18/80/70/398188070.db2.gz YUJOSOATQKPGSF-JYJNAYRXSA-N 0 3 243.350 3.167 20 30 BGEDHN C=CCCCN1CCc2cccc(OC)c2C1 ZINC000650107918 397927871 /nfs/dbraw/zinc/92/78/71/397927871.db2.gz WQSSKCVGABACKA-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(C)CCN1CCc2cccc(OC)c2C1 ZINC000650109812 397932344 /nfs/dbraw/zinc/93/23/44/397932344.db2.gz OGFQXWQFHQXPSO-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@]2(CCSC2)C1 ZINC000650264094 398018689 /nfs/dbraw/zinc/01/86/89/398018689.db2.gz AFQUWCJLJZHVET-KBPBESRZSA-N 0 3 237.412 3.007 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@]2(CCSC2)C1 ZINC000650264095 398018833 /nfs/dbraw/zinc/01/88/33/398018833.db2.gz AFQUWCJLJZHVET-KGLIPLIRSA-N 0 3 237.412 3.007 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@@]2(CCSC2)C1 ZINC000650264096 398018731 /nfs/dbraw/zinc/01/87/31/398018731.db2.gz AFQUWCJLJZHVET-UONOGXRCSA-N 0 3 237.412 3.007 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@@]2(CCSC2)C1 ZINC000650264097 398018811 /nfs/dbraw/zinc/01/88/11/398018811.db2.gz AFQUWCJLJZHVET-ZIAGYGMSSA-N 0 3 237.412 3.007 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc(C)nc1C ZINC000651473183 411054502 /nfs/dbraw/zinc/05/45/02/411054502.db2.gz FCNBGXTWULHMMB-GFCCVEGCSA-N 0 3 218.344 3.315 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc(C)nc1C ZINC000651473184 411054658 /nfs/dbraw/zinc/05/46/58/411054658.db2.gz FCNBGXTWULHMMB-LBPRGKRZSA-N 0 3 218.344 3.315 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cnc(C)s1 ZINC000651473185 411054211 /nfs/dbraw/zinc/05/42/11/411054211.db2.gz KGJWRKMIHXTLFS-SECBINFHSA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cnc(C)s1 ZINC000651473186 411053882 /nfs/dbraw/zinc/05/38/82/411053882.db2.gz KGJWRKMIHXTLFS-VIFPVBQESA-N 0 3 210.346 3.068 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651473193 411054650 /nfs/dbraw/zinc/05/46/50/411054650.db2.gz WWLXUFLEZLPXIR-JTQLQIEISA-N 0 3 246.310 3.150 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651473194 411053756 /nfs/dbraw/zinc/05/37/56/411053756.db2.gz WWLXUFLEZLPXIR-SNVBAGLBSA-N 0 3 246.310 3.150 20 30 BGEDHN C=C(C)CN(CC)Cc1cc2cnccc2o1 ZINC000651606485 411129168 /nfs/dbraw/zinc/12/91/68/411129168.db2.gz MPDLDVXCWIZRQU-UHFFFAOYSA-N 0 3 230.311 3.226 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2cc(CC)no2)C1 ZINC000651664435 487813902 /nfs/dbraw/zinc/81/39/02/487813902.db2.gz QLCOYZCCTSKFAT-AAEUAGOBSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(CC)no2)C1 ZINC000651664436 487813539 /nfs/dbraw/zinc/81/35/39/487813539.db2.gz QLCOYZCCTSKFAT-DGCLKSJQSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2cc(CC)no2)C1 ZINC000651664437 487813520 /nfs/dbraw/zinc/81/35/20/487813520.db2.gz QLCOYZCCTSKFAT-WCQYABFASA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2cc(CC)no2)C1 ZINC000651664438 487813919 /nfs/dbraw/zinc/81/39/19/487813919.db2.gz QLCOYZCCTSKFAT-YPMHNXCESA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2ccco2)C1 ZINC000651666530 490129875 /nfs/dbraw/zinc/12/98/75/490129875.db2.gz GALIWCOTWURIER-NEPJUHHUSA-N 0 3 205.301 3.114 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2ccco2)C1 ZINC000651666531 490129945 /nfs/dbraw/zinc/12/99/45/490129945.db2.gz GALIWCOTWURIER-NWDGAFQWSA-N 0 3 205.301 3.114 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2ccco2)C1 ZINC000651666532 490130012 /nfs/dbraw/zinc/13/00/12/490130012.db2.gz GALIWCOTWURIER-RYUDHWBXSA-N 0 3 205.301 3.114 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccco2)C1 ZINC000651666533 490129685 /nfs/dbraw/zinc/12/96/85/490129685.db2.gz GALIWCOTWURIER-VXGBXAGGSA-N 0 3 205.301 3.114 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2csc(C)n2)C1 ZINC000651672170 411134931 /nfs/dbraw/zinc/13/49/31/411134931.db2.gz SMZQCCAXLIMMLI-NEPJUHHUSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2csc(C)n2)C1 ZINC000651672171 411134892 /nfs/dbraw/zinc/13/48/92/411134892.db2.gz SMZQCCAXLIMMLI-NWDGAFQWSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2csc(C)n2)C1 ZINC000651672172 411134624 /nfs/dbraw/zinc/13/46/24/411134624.db2.gz SMZQCCAXLIMMLI-RYUDHWBXSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2csc(C)n2)C1 ZINC000651672173 411134934 /nfs/dbraw/zinc/13/49/34/411134934.db2.gz SMZQCCAXLIMMLI-VXGBXAGGSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2nc(C)cs2)C1 ZINC000651672884 411134956 /nfs/dbraw/zinc/13/49/56/411134956.db2.gz OIIGDNOEVGJOCI-NEPJUHHUSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC000651672885 411134702 /nfs/dbraw/zinc/13/47/02/411134702.db2.gz OIIGDNOEVGJOCI-NWDGAFQWSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2nc(C)cs2)C1 ZINC000651672886 411134783 /nfs/dbraw/zinc/13/47/83/411134783.db2.gz OIIGDNOEVGJOCI-RYUDHWBXSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2nc(C)cs2)C1 ZINC000651672887 411134586 /nfs/dbraw/zinc/13/45/86/411134586.db2.gz OIIGDNOEVGJOCI-VXGBXAGGSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2cccc(C)n2)C1 ZINC000651678761 491073566 /nfs/dbraw/zinc/07/35/66/491073566.db2.gz CJNCKSHQKHJRGJ-KBPBESRZSA-N 0 3 230.355 3.224 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2cccc(C)n2)C1 ZINC000651678762 491073571 /nfs/dbraw/zinc/07/35/71/491073571.db2.gz CJNCKSHQKHJRGJ-KGLIPLIRSA-N 0 3 230.355 3.224 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2cccc(C)n2)C1 ZINC000651678763 491073577 /nfs/dbraw/zinc/07/35/77/491073577.db2.gz CJNCKSHQKHJRGJ-UONOGXRCSA-N 0 3 230.355 3.224 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2cccc(C)n2)C1 ZINC000651678764 491073554 /nfs/dbraw/zinc/07/35/54/491073554.db2.gz CJNCKSHQKHJRGJ-ZIAGYGMSSA-N 0 3 230.355 3.224 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2c(C)noc2C)C1 ZINC000651687089 411136137 /nfs/dbraw/zinc/13/61/37/411136137.db2.gz WNMRPOTYLVDSBG-CHWSQXEVSA-N 0 3 234.343 3.126 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2c(C)noc2C)C1 ZINC000651687090 411136081 /nfs/dbraw/zinc/13/60/81/411136081.db2.gz WNMRPOTYLVDSBG-OLZOCXBDSA-N 0 3 234.343 3.126 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2c(C)noc2C)C1 ZINC000651687091 411136140 /nfs/dbraw/zinc/13/61/40/411136140.db2.gz WNMRPOTYLVDSBG-QWHCGFSZSA-N 0 3 234.343 3.126 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2c(C)noc2C)C1 ZINC000651687092 411136059 /nfs/dbraw/zinc/13/60/59/411136059.db2.gz WNMRPOTYLVDSBG-STQMWFEESA-N 0 3 234.343 3.126 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2ncc(C)s2)C1 ZINC000651715423 411138104 /nfs/dbraw/zinc/13/81/04/411138104.db2.gz MJXWFVHDQVPVGY-NEPJUHHUSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC000651715424 411138092 /nfs/dbraw/zinc/13/80/92/411138092.db2.gz MJXWFVHDQVPVGY-NWDGAFQWSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2ncc(C)s2)C1 ZINC000651715425 411138138 /nfs/dbraw/zinc/13/81/38/411138138.db2.gz MJXWFVHDQVPVGY-RYUDHWBXSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2ncc(C)s2)C1 ZINC000651715426 411138129 /nfs/dbraw/zinc/13/81/29/411138129.db2.gz MJXWFVHDQVPVGY-VXGBXAGGSA-N 0 3 236.384 3.286 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2ccn(C(C)C)n2)C1 ZINC000651719555 411138521 /nfs/dbraw/zinc/13/85/21/411138521.db2.gz XKNGFMNSYQRHJH-KBPBESRZSA-N 0 3 247.386 3.298 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2ccn(C(C)C)n2)C1 ZINC000651719556 411138517 /nfs/dbraw/zinc/13/85/17/411138517.db2.gz XKNGFMNSYQRHJH-KGLIPLIRSA-N 0 3 247.386 3.298 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2ccn(C(C)C)n2)C1 ZINC000651719557 411138336 /nfs/dbraw/zinc/13/83/36/411138336.db2.gz XKNGFMNSYQRHJH-UONOGXRCSA-N 0 3 247.386 3.298 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2ccn(C(C)C)n2)C1 ZINC000651719558 411138500 /nfs/dbraw/zinc/13/85/00/411138500.db2.gz XKNGFMNSYQRHJH-ZIAGYGMSSA-N 0 3 247.386 3.298 20 30 BGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000651720063 411138716 /nfs/dbraw/zinc/13/87/16/411138716.db2.gz PHKHZELRCOYESD-AAEUAGOBSA-N 0 3 249.329 3.366 20 30 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411143888 /nfs/dbraw/zinc/14/38/88/411143888.db2.gz VYZDXVBBBWRGPT-CYBMUJFWSA-N 0 3 242.322 3.368 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cc2cnccc2o1 ZINC000651788161 411143897 /nfs/dbraw/zinc/14/38/97/411143897.db2.gz VYZDXVBBBWRGPT-ZDUSSCGKSA-N 0 3 242.322 3.368 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2occc2C)C1 ZINC000651815886 411145102 /nfs/dbraw/zinc/14/51/02/411145102.db2.gz QXMRALOKPTZGBN-CHWSQXEVSA-N 0 3 219.328 3.422 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2occc2C)C1 ZINC000651815887 411145104 /nfs/dbraw/zinc/14/51/04/411145104.db2.gz QXMRALOKPTZGBN-OLZOCXBDSA-N 0 3 219.328 3.422 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2occc2C)C1 ZINC000651815888 411145136 /nfs/dbraw/zinc/14/51/36/411145136.db2.gz QXMRALOKPTZGBN-QWHCGFSZSA-N 0 3 219.328 3.422 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2occc2C)C1 ZINC000651815889 411145207 /nfs/dbraw/zinc/14/52/07/411145207.db2.gz QXMRALOKPTZGBN-STQMWFEESA-N 0 3 219.328 3.422 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2oc(CC)nc2C)C1 ZINC000651816475 411145119 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ZINC000651823098 411146183 /nfs/dbraw/zinc/14/61/83/411146183.db2.gz WQWDFGMSEDVKKM-CRWXNKLISA-N 0 3 245.370 3.223 20 30 BGEDHN C=CC[C@@H]1CC[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000651823099 411146197 /nfs/dbraw/zinc/14/61/97/411146197.db2.gz WQWDFGMSEDVKKM-MQYQWHSLSA-N 0 3 245.370 3.223 20 30 BGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000651823100 411146185 /nfs/dbraw/zinc/14/61/85/411146185.db2.gz WQWDFGMSEDVKKM-RFQIPJPRSA-N 0 3 245.370 3.223 20 30 BGEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000651823101 411146167 /nfs/dbraw/zinc/14/61/67/411146167.db2.gz WQWDFGMSEDVKKM-YIYPIFLZSA-N 0 3 245.370 3.223 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2cnc(CC)o2)C1 ZINC000651823446 411145591 /nfs/dbraw/zinc/14/55/91/411145591.db2.gz JAGLVPFMDLVMGC-NEPJUHHUSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2cnc(CC)o2)C1 ZINC000651823447 411145596 /nfs/dbraw/zinc/14/55/96/411145596.db2.gz JAGLVPFMDLVMGC-NWDGAFQWSA-N 0 3 234.343 3.071 20 30 BGEDHN 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411444968 /nfs/dbraw/zinc/44/49/68/411444968.db2.gz CHTYBFXSXWWRPL-QWHCGFSZSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000655737551 411444668 /nfs/dbraw/zinc/44/46/68/411444668.db2.gz CHTYBFXSXWWRPL-STQMWFEESA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000655755998 411186520 /nfs/dbraw/zinc/18/65/20/411186520.db2.gz KGHITZTWNQIECF-CYBMUJFWSA-N 0 3 247.386 3.054 20 30 BGEDHN C=CCCC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000655756000 411186628 /nfs/dbraw/zinc/18/66/28/411186628.db2.gz KGHITZTWNQIECF-ZDUSSCGKSA-N 0 3 247.386 3.054 20 30 BGEDHN C=CCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000655806740 411520441 /nfs/dbraw/zinc/52/04/41/411520441.db2.gz AADPHFTZRAZVEQ-CHWSQXEVSA-N 0 3 233.359 3.225 20 30 BGEDHN C=CCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000655806746 411520503 /nfs/dbraw/zinc/52/05/03/411520503.db2.gz AADPHFTZRAZVEQ-OLZOCXBDSA-N 0 3 233.359 3.225 20 30 BGEDHN C=CCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000655806748 411520259 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C=CC[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000657528667 411541904 /nfs/dbraw/zinc/54/19/04/411541904.db2.gz HHNIPUXVNMCRNV-RYUDHWBXSA-N 0 3 236.384 3.368 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000657528668 411542183 /nfs/dbraw/zinc/54/21/83/411542183.db2.gz HHNIPUXVNMCRNV-VXGBXAGGSA-N 0 3 236.384 3.368 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000657529291 411544472 /nfs/dbraw/zinc/54/44/72/411544472.db2.gz BQJOWWOXAYXHAC-KBPBESRZSA-N 0 3 247.386 3.251 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000657529292 411544666 /nfs/dbraw/zinc/54/46/66/411544666.db2.gz BQJOWWOXAYXHAC-KGLIPLIRSA-N 0 3 247.386 3.251 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000657529293 411544763 /nfs/dbraw/zinc/54/47/63/411544763.db2.gz BQJOWWOXAYXHAC-UONOGXRCSA-N 0 3 247.386 3.251 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000657529294 411544598 /nfs/dbraw/zinc/54/45/98/411544598.db2.gz BQJOWWOXAYXHAC-ZIAGYGMSSA-N 0 3 247.386 3.251 20 30 BGEDHN 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/nfs/dbraw/zinc/57/23/58/411572358.db2.gz WUCWAAYUSSCCJY-UHFFFAOYSA-N 0 3 245.322 3.115 20 30 BGEDHN C=CCOCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000657658516 411572529 /nfs/dbraw/zinc/57/25/29/411572529.db2.gz ZZUVZUXJMOZVHF-GXTWGEPZSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000657658518 411572468 /nfs/dbraw/zinc/57/24/68/411572468.db2.gz ZZUVZUXJMOZVHF-JSGCOSHPSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000657658520 411572554 /nfs/dbraw/zinc/57/25/54/411572554.db2.gz ZZUVZUXJMOZVHF-OCCSQVGLSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000657658521 411572511 /nfs/dbraw/zinc/57/25/11/411572511.db2.gz ZZUVZUXJMOZVHF-TZMCWYRMSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCCNCc1ccsc1Cl ZINC000657658722 411572281 /nfs/dbraw/zinc/57/22/81/411572281.db2.gz BFXFLCFLKOGVSW-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCOCCCNCc1sccc1Cl ZINC000657658974 411572228 /nfs/dbraw/zinc/57/22/28/411572228.db2.gz MGIAYJSBRKJLCE-UHFFFAOYSA-N 0 3 245.775 3.084 20 30 BGEDHN C=CCC1(NCc2cscn2)CCCC1 ZINC000657702444 411583262 /nfs/dbraw/zinc/58/32/62/411583262.db2.gz JPULKXISAQNMOA-UHFFFAOYSA-N 0 3 222.357 3.122 20 30 BGEDHN C=CCC1(NCc2ccc(COC)o2)CCCC1 ZINC000657702488 411583444 /nfs/dbraw/zinc/58/34/44/411583444.db2.gz KPFMPMWOSGAGEQ-UHFFFAOYSA-N 0 3 249.354 3.405 20 30 BGEDHN C=CCC1([NH2+]Cc2nc(C)ccc2[O-])CCCC1 ZINC000657702928 411583372 /nfs/dbraw/zinc/58/33/72/411583372.db2.gz QVDXMEMHWDXAAI-UHFFFAOYSA-N 0 3 246.354 3.074 20 30 BGEDHN C=CCC1(NCc2nccs2)CCCC1 ZINC000657703116 411583158 /nfs/dbraw/zinc/58/31/58/411583158.db2.gz TXLZMVSJPPLJHV-UHFFFAOYSA-N 0 3 222.357 3.122 20 30 BGEDHN C=CCC1(NCc2nccn2C(C)C)CCCC1 ZINC000657703231 411583199 /nfs/dbraw/zinc/58/31/99/411583199.db2.gz VKTYVPNNPGZSAD-UHFFFAOYSA-N 0 3 247.386 3.443 20 30 BGEDHN C=CCC1(NCc2nc(C)cs2)CCCC1 ZINC000657703295 411583221 /nfs/dbraw/zinc/58/32/21/411583221.db2.gz WHWLZSMTBJFLDL-UHFFFAOYSA-N 0 3 236.384 3.430 20 30 BGEDHN C=CCC1(NCc2ncc(C)s2)CCCC1 ZINC000657703345 411583134 /nfs/dbraw/zinc/58/31/34/411583134.db2.gz XADJWVKULMMISA-UHFFFAOYSA-N 0 3 236.384 3.430 20 30 BGEDHN C=CCC1(NCc2nc(C)c(C)[nH]2)CCCC1 ZINC000657703413 411583047 /nfs/dbraw/zinc/58/30/47/411583047.db2.gz YCEHANJNPBABHK-UHFFFAOYSA-N 0 3 233.359 3.005 20 30 BGEDHN C=CCC1(NCc2csc(C)n2)CCCC1 ZINC000657703462 411583703 /nfs/dbraw/zinc/58/37/03/411583703.db2.gz YUMNHVBXRZYSLA-UHFFFAOYSA-N 0 3 236.384 3.430 20 30 BGEDHN C=CCC1(NCc2ccncc2F)CCCC1 ZINC000657703518 411583969 /nfs/dbraw/zinc/58/39/69/411583969.db2.gz ZHVVRDLTYISIMN-UHFFFAOYSA-N 0 3 234.318 3.199 20 30 BGEDHN C=CCCC(C)(C)NCc1ccc(C)o1 ZINC000657804772 411600617 /nfs/dbraw/zinc/60/06/17/411600617.db2.gz DDOYBBQBJMNWEK-UHFFFAOYSA-N 0 3 207.317 3.422 20 30 BGEDHN C=CCCC(C)(C)NCc1ccc(COC)o1 ZINC000657804897 411600267 /nfs/dbraw/zinc/60/02/67/411600267.db2.gz GMKGLBYOAVEIQX-UHFFFAOYSA-N 0 3 237.343 3.260 20 30 BGEDHN C=CCCC(C)(C)NCc1occc1C ZINC000657804918 411600028 /nfs/dbraw/zinc/60/00/28/411600028.db2.gz HJCFNBZQWQPYJJ-UHFFFAOYSA-N 0 3 207.317 3.422 20 30 BGEDHN C=CCCC(C)(C)NCc1ncc(C)s1 ZINC000657804929 411600425 /nfs/dbraw/zinc/60/04/25/411600425.db2.gz HQCPJFYXRLEFOI-UHFFFAOYSA-N 0 3 224.373 3.286 20 30 BGEDHN C=CCCC(C)(C)NCc1csc(C)n1 ZINC000657805458 411600057 /nfs/dbraw/zinc/60/00/57/411600057.db2.gz PSAKYNNFVCPTDO-UHFFFAOYSA-N 0 3 224.373 3.286 20 30 BGEDHN C=CCCC(C)(C)NCc1cn2ccccc2n1 ZINC000657805564 411600273 /nfs/dbraw/zinc/60/02/73/411600273.db2.gz QZEFLOVNTSSVTM-UHFFFAOYSA-N 0 3 243.354 3.169 20 30 BGEDHN C=CCCC(C)(C)NCc1ccncc1F ZINC000657805854 411600292 /nfs/dbraw/zinc/60/02/92/411600292.db2.gz UPDRNJHEHZUBMP-UHFFFAOYSA-N 0 3 222.307 3.055 20 30 BGEDHN C=CCCC(C)(C)NCc1cccc(OCC)n1 ZINC000657805924 411600513 /nfs/dbraw/zinc/60/05/13/411600513.db2.gz XNAHKFPZPXZPRG-UHFFFAOYSA-N 0 3 248.370 3.315 20 30 BGEDHN C=CCCC(C)(C)NCc1nccn1C(C)C ZINC000657806154 411599986 /nfs/dbraw/zinc/59/99/86/411599986.db2.gz JFORGVLYADPSOI-UHFFFAOYSA-N 0 3 235.375 3.298 20 30 BGEDHN C=CCCC(C)(C)NCc1cc2n(n1)CCCC2 ZINC000657806593 411601312 /nfs/dbraw/zinc/60/13/12/411601312.db2.gz NNZUYSZKMIHQSG-UHFFFAOYSA-N 0 3 247.386 3.054 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000657853311 411612222 /nfs/dbraw/zinc/61/22/22/411612222.db2.gz ZXUAYOCMWJBABK-GXTWGEPZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000657853313 411612057 /nfs/dbraw/zinc/61/20/57/411612057.db2.gz ZXUAYOCMWJBABK-JSGCOSHPSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000657853315 411612278 /nfs/dbraw/zinc/61/22/78/411612278.db2.gz ZXUAYOCMWJBABK-OCCSQVGLSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000657853317 411612208 /nfs/dbraw/zinc/61/22/08/411612208.db2.gz ZXUAYOCMWJBABK-TZMCWYRMSA-N 0 3 234.343 3.208 20 30 BGEDHN C=C(CN[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657855380 488149675 /nfs/dbraw/zinc/14/96/75/488149675.db2.gz CHODTMVYXSEWGA-HNNXBMFYSA-N 0 3 243.350 3.001 20 30 BGEDHN C=C(CN[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657855381 488150168 /nfs/dbraw/zinc/15/01/68/488150168.db2.gz CHODTMVYXSEWGA-OAHLLOKOSA-N 0 3 243.350 3.001 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000657871319 411613966 /nfs/dbraw/zinc/61/39/66/411613966.db2.gz JKYXEHSOSQOAEJ-GXTWGEPZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000657871320 411614255 /nfs/dbraw/zinc/61/42/55/411614255.db2.gz JKYXEHSOSQOAEJ-JSGCOSHPSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000657871321 411614151 /nfs/dbraw/zinc/61/41/51/411614151.db2.gz JKYXEHSOSQOAEJ-OCCSQVGLSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000657871322 411614387 /nfs/dbraw/zinc/61/43/87/411614387.db2.gz JKYXEHSOSQOAEJ-TZMCWYRMSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(CC)no1 ZINC000657885299 411152730 /nfs/dbraw/zinc/15/27/30/411152730.db2.gz DJEWFGPLAOWJAF-DOMZBBRYSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(CC)no1 ZINC000657885300 411152508 /nfs/dbraw/zinc/15/25/08/411152508.db2.gz DJEWFGPLAOWJAF-IUODEOHRSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(CC)no1 ZINC000657885301 411153151 /nfs/dbraw/zinc/15/31/51/411153151.db2.gz DJEWFGPLAOWJAF-SWLSCSKDSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(CC)no1 ZINC000657885302 411153244 /nfs/dbraw/zinc/15/32/44/411153244.db2.gz DJEWFGPLAOWJAF-WFASDCNBSA-N 0 3 248.370 3.462 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000657903934 411161535 /nfs/dbraw/zinc/16/15/35/411161535.db2.gz JNSGAKFLVBKEQM-NXEZZACHSA-N 0 3 216.284 3.053 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000657903936 411161714 /nfs/dbraw/zinc/16/17/14/411161714.db2.gz JNSGAKFLVBKEQM-UWVGGRQHSA-N 0 3 216.284 3.053 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000657903937 411161767 /nfs/dbraw/zinc/16/17/67/411161767.db2.gz JNSGAKFLVBKEQM-VHSXEESVSA-N 0 3 216.284 3.053 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000657903939 411161656 /nfs/dbraw/zinc/16/16/56/411161656.db2.gz JNSGAKFLVBKEQM-ZJUUUORDSA-N 0 3 216.284 3.053 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657904419 488177133 /nfs/dbraw/zinc/17/71/33/488177133.db2.gz MDJJLSDAIPECNG-BDAKNGLRSA-N 0 3 226.270 3.244 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000657904420 488177400 /nfs/dbraw/zinc/17/74/00/488177400.db2.gz MDJJLSDAIPECNG-DTWKUNHWSA-N 0 3 226.270 3.244 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657904421 488177356 /nfs/dbraw/zinc/17/73/56/488177356.db2.gz MDJJLSDAIPECNG-IUCAKERBSA-N 0 3 226.270 3.244 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000657904422 488177807 /nfs/dbraw/zinc/17/78/07/488177807.db2.gz MDJJLSDAIPECNG-RKDXNWHRSA-N 0 3 226.270 3.244 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncccc1F ZINC000657933672 411172027 /nfs/dbraw/zinc/17/20/27/411172027.db2.gz WRWKIBWSSOEVNH-GXTWGEPZSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncccc1F ZINC000657933673 411172335 /nfs/dbraw/zinc/17/23/35/411172335.db2.gz WRWKIBWSSOEVNH-JSGCOSHPSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncccc1F ZINC000657933674 411171772 /nfs/dbraw/zinc/17/17/72/411171772.db2.gz WRWKIBWSSOEVNH-OCCSQVGLSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncccc1F ZINC000657933675 411171998 /nfs/dbraw/zinc/17/19/98/411171998.db2.gz WRWKIBWSSOEVNH-TZMCWYRMSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000658024562 411202518 /nfs/dbraw/zinc/20/25/18/411202518.db2.gz LZWGEBDCRWKOQM-HZSPNIEDSA-N 0 3 245.370 3.052 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000658024563 411202569 /nfs/dbraw/zinc/20/25/69/411202569.db2.gz LZWGEBDCRWKOQM-MCIONIFRSA-N 0 3 245.370 3.052 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000658024564 411202923 /nfs/dbraw/zinc/20/29/23/411202923.db2.gz LZWGEBDCRWKOQM-MGPQQGTHSA-N 0 3 245.370 3.052 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000658024565 411203037 /nfs/dbraw/zinc/20/30/37/411203037.db2.gz LZWGEBDCRWKOQM-RDBSUJKOSA-N 0 3 245.370 3.052 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cnc(CC)o1 ZINC000658030475 411207245 /nfs/dbraw/zinc/20/72/45/411207245.db2.gz ZYSXOIIZPNVRPF-GXTWGEPZSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cnc(CC)o1 ZINC000658030476 411207392 /nfs/dbraw/zinc/20/73/92/411207392.db2.gz ZYSXOIIZPNVRPF-JSGCOSHPSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(CC)o1 ZINC000658030477 411207554 /nfs/dbraw/zinc/20/75/54/411207554.db2.gz ZYSXOIIZPNVRPF-OCCSQVGLSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cnc(CC)o1 ZINC000658030478 411207837 /nfs/dbraw/zinc/20/78/37/411207837.db2.gz ZYSXOIIZPNVRPF-TZMCWYRMSA-N 0 3 248.370 3.462 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cc2cnccc2o1 ZINC000658032522 411210515 /nfs/dbraw/zinc/21/05/15/411210515.db2.gz UANGPZFFKNIIRR-LLVKDONJSA-N 0 3 230.311 3.445 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cc2cnccc2o1 ZINC000658032524 411210110 /nfs/dbraw/zinc/21/01/10/411210110.db2.gz UANGPZFFKNIIRR-NSHDSACASA-N 0 3 230.311 3.445 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000658033880 411209566 /nfs/dbraw/zinc/20/95/66/411209566.db2.gz CAZGSMYATZTSCU-GXTWGEPZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000658033881 411208957 /nfs/dbraw/zinc/20/89/57/411208957.db2.gz CAZGSMYATZTSCU-JSGCOSHPSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000658033882 411209171 /nfs/dbraw/zinc/20/91/71/411209171.db2.gz CAZGSMYATZTSCU-OCCSQVGLSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000658033883 411209421 /nfs/dbraw/zinc/20/94/21/411209421.db2.gz CAZGSMYATZTSCU-TZMCWYRMSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccn(CC)n1 ZINC000658035724 411211312 /nfs/dbraw/zinc/21/13/12/411211312.db2.gz VHNWXOUPNORSPH-DZGCQCFKSA-N 0 3 247.386 3.128 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccn(CC)n1 ZINC000658035725 411211569 /nfs/dbraw/zinc/21/15/69/411211569.db2.gz VHNWXOUPNORSPH-HIFRSBDPSA-N 0 3 247.386 3.128 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccn(CC)n1 ZINC000658035726 411211216 /nfs/dbraw/zinc/21/12/16/411211216.db2.gz VHNWXOUPNORSPH-UKRRQHHQSA-N 0 3 247.386 3.128 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccn(CC)n1 ZINC000658035727 411211058 /nfs/dbraw/zinc/21/10/58/411211058.db2.gz VHNWXOUPNORSPH-ZFWWWQNUSA-N 0 3 247.386 3.128 20 30 BGEDHN C=CCC[C@@H](N[C@H]1COC(C)(C)C1)c1ccco1 ZINC000658057607 411223958 /nfs/dbraw/zinc/22/39/58/411223958.db2.gz JAGPLARTXCOICO-CHWSQXEVSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](N[C@H]1COC(C)(C)C1)c1ccco1 ZINC000658057608 411223866 /nfs/dbraw/zinc/22/38/66/411223866.db2.gz JAGPLARTXCOICO-OLZOCXBDSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccco1 ZINC000658057609 411224172 /nfs/dbraw/zinc/22/41/72/411224172.db2.gz JAGPLARTXCOICO-QWHCGFSZSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@H](N[C@@H]1COC(C)(C)C1)c1ccco1 ZINC000658057611 411223810 /nfs/dbraw/zinc/22/38/10/411223810.db2.gz JAGPLARTXCOICO-STQMWFEESA-N 0 3 249.354 3.444 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000658059265 411225923 /nfs/dbraw/zinc/22/59/23/411225923.db2.gz GFRJIAIRSSWFOO-GUTXKFCHSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000658059266 411225795 /nfs/dbraw/zinc/22/57/95/411225795.db2.gz GFRJIAIRSSWFOO-GZBFAFLISA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000658059267 411224792 /nfs/dbraw/zinc/22/47/92/411224792.db2.gz GFRJIAIRSSWFOO-NFAWXSAZSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000658059268 411225854 /nfs/dbraw/zinc/22/58/54/411225854.db2.gz GFRJIAIRSSWFOO-UMVBOHGHSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000658059304 411224757 /nfs/dbraw/zinc/22/47/57/411224757.db2.gz HBNYQWKDRHBZSN-BFHYXJOUSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnccn1 ZINC000658059305 411225142 /nfs/dbraw/zinc/22/51/42/411225142.db2.gz HBNYQWKDRHBZSN-MCIONIFRSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cnccn1 ZINC000658059306 411225726 /nfs/dbraw/zinc/22/57/26/411225726.db2.gz HBNYQWKDRHBZSN-MGPQQGTHSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000658059307 411225131 /nfs/dbraw/zinc/22/51/31/411225131.db2.gz HBNYQWKDRHBZSN-MJBXVCDLSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000658060990 411228427 /nfs/dbraw/zinc/22/84/27/411228427.db2.gz RNMVUNWZAOAPHA-BFHYXJOUSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1C ZINC000658060992 411228502 /nfs/dbraw/zinc/22/85/02/411228502.db2.gz RNMVUNWZAOAPHA-MCIONIFRSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1C ZINC000658060994 411228292 /nfs/dbraw/zinc/22/82/92/411228292.db2.gz RNMVUNWZAOAPHA-MGPQQGTHSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000658060996 411228217 /nfs/dbraw/zinc/22/82/17/411228217.db2.gz RNMVUNWZAOAPHA-MJBXVCDLSA-N 0 3 247.386 3.206 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000658099426 411245286 /nfs/dbraw/zinc/24/52/86/411245286.db2.gz ASEBUGCWYPNCEP-AVGNSLFASA-N 0 3 248.374 3.008 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000658099427 411245209 /nfs/dbraw/zinc/24/52/09/411245209.db2.gz ASEBUGCWYPNCEP-RWMBFGLXSA-N 0 3 248.374 3.008 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000658099429 411245357 /nfs/dbraw/zinc/24/53/57/411245357.db2.gz ASEBUGCWYPNCEP-XQQFMLRXSA-N 0 3 248.374 3.008 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000658099430 411245628 /nfs/dbraw/zinc/24/56/28/411245628.db2.gz ASEBUGCWYPNCEP-YNEHKIRRSA-N 0 3 248.374 3.008 20 30 BGEDHN C=CCC[C@H](CCC)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000658102959 411246276 /nfs/dbraw/zinc/24/62/76/411246276.db2.gz 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411250401 /nfs/dbraw/zinc/25/04/01/411250401.db2.gz KPBWUFVQGRTXKA-LBPRGKRZSA-N 0 3 249.354 3.148 20 30 BGEDHN C=CCC[C@@H](N[C@H](C)C1(CO)CC1)c1ccco1 ZINC000658156044 411270192 /nfs/dbraw/zinc/27/01/92/411270192.db2.gz SSFXUDYWAIZYFG-CHWSQXEVSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](N[C@H](C)C1(CO)CC1)c1ccco1 ZINC000658156046 411270545 /nfs/dbraw/zinc/27/05/45/411270545.db2.gz SSFXUDYWAIZYFG-OLZOCXBDSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@@H](N[C@@H](C)C1(CO)CC1)c1ccco1 ZINC000658156047 411269977 /nfs/dbraw/zinc/26/99/77/411269977.db2.gz SSFXUDYWAIZYFG-QWHCGFSZSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](N[C@@H](C)C1(CO)CC1)c1ccco1 ZINC000658156049 411270095 /nfs/dbraw/zinc/27/00/95/411270095.db2.gz SSFXUDYWAIZYFG-STQMWFEESA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](N[C@H]1C[C@H](OCC)C1)c1ccco1 ZINC000658162003 411274925 /nfs/dbraw/zinc/27/49/25/411274925.db2.gz QIAPAHLKFYSWOK-IHRRRGAJSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCC[C@@H](N[C@H]1C[C@H](OCC)C1)c1ccco1 ZINC000658162005 411275332 /nfs/dbraw/zinc/27/53/32/411275332.db2.gz QIAPAHLKFYSWOK-MGPQQGTHSA-N 0 3 249.354 3.444 20 30 BGEDHN C=CCOCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000658207753 411293707 /nfs/dbraw/zinc/29/37/07/411293707.db2.gz WWFCLVQMITVRPU-GFCCVEGCSA-N 0 3 237.343 3.140 20 30 BGEDHN C=CCOCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000658207754 411293671 /nfs/dbraw/zinc/29/36/71/411293671.db2.gz WWFCLVQMITVRPU-LBPRGKRZSA-N 0 3 237.343 3.140 20 30 BGEDHN C=CCOCCCN[C@H](C)c1ccc(CC)o1 ZINC000658209131 411294224 /nfs/dbraw/zinc/29/42/24/411294224.db2.gz CUILJYNTDPEOMX-GFCCVEGCSA-N 0 3 237.343 3.085 20 30 BGEDHN C=CCOCCCN[C@@H](C)c1ccc(CC)o1 ZINC000658209132 411294552 /nfs/dbraw/zinc/29/45/52/411294552.db2.gz CUILJYNTDPEOMX-LBPRGKRZSA-N 0 3 237.343 3.085 20 30 BGEDHN C=CCOCCCN[C@@H](CCC)c1ccccn1 ZINC000658210097 411294541 /nfs/dbraw/zinc/29/45/41/411294541.db2.gz OBCAUBCKEKVNSG-AWEZNQCLSA-N 0 3 248.370 3.105 20 30 BGEDHN C=CCOCCCN[C@H](CCC)c1ccccn1 ZINC000658210099 411294297 /nfs/dbraw/zinc/29/42/97/411294297.db2.gz OBCAUBCKEKVNSG-CQSZACIVSA-N 0 3 248.370 3.105 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(CCCC)cc1 ZINC000658334826 411343607 /nfs/dbraw/zinc/34/36/07/411343607.db2.gz FPPHRMNHSQESAR-CZUORRHYSA-N 0 3 247.382 3.227 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(CCCC)cc1 ZINC000658334915 411343093 /nfs/dbraw/zinc/34/30/93/411343093.db2.gz FPPHRMNHSQESAR-XJKSGUPXSA-N 0 3 247.382 3.227 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000658335168 411343365 /nfs/dbraw/zinc/34/33/65/411343365.db2.gz LQLJSCSVRNPLRN-IUODEOHRSA-N 0 3 247.382 3.182 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000658335169 411343584 /nfs/dbraw/zinc/34/35/84/411343584.db2.gz LQLJSCSVRNPLRN-SWLSCSKDSA-N 0 3 247.382 3.182 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@H](C)c1nccn1C ZINC000658335804 411343653 /nfs/dbraw/zinc/34/36/53/411343653.db2.gz GZJOGDUAWAUFRD-CHWSQXEVSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCC[C@H](CCC)N[C@H](C)c1nccn1C ZINC000658335805 411343894 /nfs/dbraw/zinc/34/38/94/411343894.db2.gz GZJOGDUAWAUFRD-OLZOCXBDSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1nccn1C ZINC000658335806 411343394 /nfs/dbraw/zinc/34/33/94/411343394.db2.gz GZJOGDUAWAUFRD-QWHCGFSZSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCC[C@H](CCC)N[C@@H](C)c1nccn1C ZINC000658335807 411343495 /nfs/dbraw/zinc/34/34/95/411343495.db2.gz GZJOGDUAWAUFRD-STQMWFEESA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000659823933 411464055 /nfs/dbraw/zinc/46/40/55/411464055.db2.gz XGABYWNFDUTNMR-HNNXBMFYSA-N 0 3 245.366 3.242 20 30 BGEDHN C=CCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000659823935 411463788 /nfs/dbraw/zinc/46/37/88/411463788.db2.gz XGABYWNFDUTNMR-OAHLLOKOSA-N 0 3 245.366 3.242 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc2ccccc2n1 ZINC000659828557 411466052 /nfs/dbraw/zinc/46/60/52/411466052.db2.gz FTXODBRGAUUJGO-UHFFFAOYSA-N 0 3 241.338 3.028 20 30 BGEDHN C=C1CCN(C[C@H](CC)CC(F)F)CC1 ZINC000659910466 411495392 /nfs/dbraw/zinc/49/53/92/411495392.db2.gz KSDWCPKRPPFBNX-LLVKDONJSA-N 0 3 217.303 3.320 20 30 BGEDHN C=C1CCN(C[C@@H](CC)CC(F)F)CC1 ZINC000659910467 411481223 /nfs/dbraw/zinc/48/12/23/411481223.db2.gz KSDWCPKRPPFBNX-NSHDSACASA-N 0 3 217.303 3.320 20 30 BGEDHN C=CCCCN(C)Cc1cnc2ccccc2n1 ZINC000659941255 411504952 /nfs/dbraw/zinc/50/49/52/411504952.db2.gz LMNQKVUWOFGBGK-UHFFFAOYSA-N 0 3 241.338 3.028 20 30 BGEDHN C=CCCCCCN(C)Cc1cc(C)nc(C)n1 ZINC000659946143 411507263 /nfs/dbraw/zinc/50/72/63/411507263.db2.gz FONRYPQBWNRDBJ-UHFFFAOYSA-N 0 3 247.386 3.272 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(SC)c1 ZINC000660220524 411554951 /nfs/dbraw/zinc/55/49/51/411554951.db2.gz JOGZSHWXLNKJMY-UHFFFAOYSA-N 0 3 221.369 3.416 20 30 BGEDHN C=C(C)CN(C)CCc1nsc2ccccc21 ZINC000660221324 411555461 /nfs/dbraw/zinc/55/54/61/411555461.db2.gz ODHXSMCZCHCUME-UHFFFAOYSA-N 0 3 246.379 3.347 20 30 BGEDHN C=CCN(C)CCSc1ccc(F)cc1F ZINC000660327921 411569626 /nfs/dbraw/zinc/56/96/26/411569626.db2.gz GCMFJXYOZBRVGV-UHFFFAOYSA-N 0 3 243.322 3.175 20 30 BGEDHN C=CCN(C)Cc1cccc(SC)c1 ZINC000660329196 411569783 /nfs/dbraw/zinc/56/97/83/411569783.db2.gz UJGMKLPQDNCLPY-UHFFFAOYSA-N 0 3 207.342 3.026 20 30 BGEDHN C=C[C@H]1CCCCN1CCOCc1ccccc1 ZINC000660430719 411583302 /nfs/dbraw/zinc/58/33/02/411583302.db2.gz WVJOABWFZUTSSB-INIZCTEOSA-N 0 3 245.366 3.244 20 30 BGEDHN C=C[C@@H]1CCCCN1CCOCc1ccccc1 ZINC000660430722 411583679 /nfs/dbraw/zinc/58/36/79/411583679.db2.gz WVJOABWFZUTSSB-MRXNPFEDSA-N 0 3 245.366 3.244 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@H](c2ccccn2)C1 ZINC000660625987 411609056 /nfs/dbraw/zinc/60/90/56/411609056.db2.gz FRHCPUDCGYCVJV-CABCVRRESA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@H](c2ccccn2)C1 ZINC000660625988 411609074 /nfs/dbraw/zinc/60/90/74/411609074.db2.gz FRHCPUDCGYCVJV-GJZGRUSLSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2ccccn2)C1 ZINC000660625989 411608829 /nfs/dbraw/zinc/60/88/29/411608829.db2.gz FRHCPUDCGYCVJV-HUUCEWRRSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CCC[C@@H](c2ccccn2)C1 ZINC000660625990 411608676 /nfs/dbraw/zinc/60/86/76/411608676.db2.gz FRHCPUDCGYCVJV-LSDHHAIUSA-N 0 3 242.366 3.063 20 30 BGEDHN C=C(CC)CN1CCC[C@H](c2ccccn2)C1 ZINC000660626772 411608943 /nfs/dbraw/zinc/60/89/43/411608943.db2.gz LYAVLRMLDCMFSW-AWEZNQCLSA-N 0 3 230.355 3.227 20 30 BGEDHN C=C(CC)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660626773 411608929 /nfs/dbraw/zinc/60/89/29/411608929.db2.gz LYAVLRMLDCMFSW-CQSZACIVSA-N 0 3 230.355 3.227 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C(C)C)c1 ZINC000660722008 411618744 /nfs/dbraw/zinc/61/87/44/411618744.db2.gz DBNUAWOIMGTIFG-CVEARBPZSA-N 0 3 245.366 3.243 20 30 BGEDHN CC[C@H](C)N(CC)CC#Cc1ccccc1 ZINC000661104046 410225783 /nfs/dbraw/zinc/22/57/83/410225783.db2.gz JMRFLXXKUKNSPE-AWEZNQCLSA-N 0 3 215.340 3.159 20 30 BGEDHN CC[C@@H](C)N(CC)CC#Cc1ccccc1 ZINC000661104047 410223679 /nfs/dbraw/zinc/22/36/79/410223679.db2.gz JMRFLXXKUKNSPE-CQSZACIVSA-N 0 3 215.340 3.159 20 30 BGEDHN CC[C@@H](C)N(CC)CC#Cc1ccc(F)cc1 ZINC000661108779 411712718 /nfs/dbraw/zinc/71/27/18/411712718.db2.gz UXRHRUQZXWCUMG-CYBMUJFWSA-N 0 3 233.330 3.298 20 30 BGEDHN CC[C@H](C)N(CC)CC#Cc1ccc(F)cc1 ZINC000661108781 411713081 /nfs/dbraw/zinc/71/30/81/411713081.db2.gz UXRHRUQZXWCUMG-ZDUSSCGKSA-N 0 3 233.330 3.298 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C)cn1 ZINC000661115283 411713741 /nfs/dbraw/zinc/71/37/41/411713741.db2.gz QYGHXRXDLUUGOA-KBPBESRZSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C)cn1 ZINC000661115287 411714310 /nfs/dbraw/zinc/71/43/10/411714310.db2.gz QYGHXRXDLUUGOA-KGLIPLIRSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C)cn1 ZINC000661115290 411713876 /nfs/dbraw/zinc/71/38/76/411713876.db2.gz QYGHXRXDLUUGOA-UONOGXRCSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C)cn1 ZINC000661115362 411713701 /nfs/dbraw/zinc/71/37/01/411713701.db2.gz QYGHXRXDLUUGOA-ZIAGYGMSSA-N 0 3 245.370 3.010 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000661115817 411713757 /nfs/dbraw/zinc/71/37/57/411713757.db2.gz FGNLWHDPGNWWQJ-CHWSQXEVSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000661115819 411713597 /nfs/dbraw/zinc/71/35/97/411713597.db2.gz FGNLWHDPGNWWQJ-OLZOCXBDSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000661115822 411714424 /nfs/dbraw/zinc/71/44/24/411714424.db2.gz FGNLWHDPGNWWQJ-QWHCGFSZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000661115825 411714040 /nfs/dbraw/zinc/71/40/40/411714040.db2.gz FGNLWHDPGNWWQJ-STQMWFEESA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000661116366 411713907 /nfs/dbraw/zinc/71/39/07/411713907.db2.gz YBMZUEQQOABFFU-GXTWGEPZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000661116368 411713800 /nfs/dbraw/zinc/71/38/00/411713800.db2.gz YBMZUEQQOABFFU-JSGCOSHPSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000661116369 411714371 /nfs/dbraw/zinc/71/43/71/411714371.db2.gz YBMZUEQQOABFFU-OCCSQVGLSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000661116431 488042498 /nfs/dbraw/zinc/04/24/98/488042498.db2.gz YBMZUEQQOABFFU-TZMCWYRMSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncc(CC)o1 ZINC000661118140 411713633 /nfs/dbraw/zinc/71/36/33/411713633.db2.gz WZFOLELJTYQVOI-GXTWGEPZSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncc(CC)o1 ZINC000661118141 411714581 /nfs/dbraw/zinc/71/45/81/411714581.db2.gz WZFOLELJTYQVOI-JSGCOSHPSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncc(CC)o1 ZINC000661118142 411714540 /nfs/dbraw/zinc/71/45/40/411714540.db2.gz WZFOLELJTYQVOI-OCCSQVGLSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncc(CC)o1 ZINC000661118143 411713763 /nfs/dbraw/zinc/71/37/63/411713763.db2.gz WZFOLELJTYQVOI-TZMCWYRMSA-N 0 3 248.370 3.462 20 30 BGEDHN CC#CCN(Cc1ccsc1)C(C)(C)C ZINC000661137112 411716712 /nfs/dbraw/zinc/71/67/12/411716712.db2.gz ZSNHJOJVOCREII-UHFFFAOYSA-N 0 3 221.369 3.372 20 30 BGEDHN C=C(CC)CN1CCC(c2ccco2)CC1 ZINC000661161010 411723978 /nfs/dbraw/zinc/72/39/78/411723978.db2.gz JKBJAPVWEKSUAI-UHFFFAOYSA-N 0 3 219.328 3.425 20 30 BGEDHN C=C(C)CN1CCC(c2ccco2)CC1 ZINC000661161930 411723930 /nfs/dbraw/zinc/72/39/30/411723930.db2.gz BNBZOSWJDJXSPU-UHFFFAOYSA-N 0 3 205.301 3.035 20 30 BGEDHN CCC#C[C@@H](C)N1CCC(c2ccco2)CC1 ZINC000661162593 411723719 /nfs/dbraw/zinc/72/37/19/411723719.db2.gz TXSPVEFIEJLYDF-CYBMUJFWSA-N 0 3 231.339 3.261 20 30 BGEDHN CCC#C[C@H](C)N1CCC(c2ccco2)CC1 ZINC000661162595 411724716 /nfs/dbraw/zinc/72/47/16/411724716.db2.gz TXSPVEFIEJLYDF-ZDUSSCGKSA-N 0 3 231.339 3.261 20 30 BGEDHN C=CCN(C/C=C/c1ccccc1)[C@H](C)COC ZINC000661245857 411743510 /nfs/dbraw/zinc/74/35/10/411743510.db2.gz DFXTVZAHKCYONS-KUCQQTCKSA-N 0 3 245.366 3.223 20 30 BGEDHN C=CCN(C/C=C\c1ccccc1)[C@H](C)COC ZINC000661245859 411742931 /nfs/dbraw/zinc/74/29/31/411742931.db2.gz DFXTVZAHKCYONS-MEODZPNASA-N 0 3 245.366 3.223 20 30 BGEDHN C=CCN(C/C=C\c1ccccc1)[C@@H](C)COC ZINC000661245862 411743208 /nfs/dbraw/zinc/74/32/08/411743208.db2.gz DFXTVZAHKCYONS-QIENPNARSA-N 0 3 245.366 3.223 20 30 BGEDHN C=CCN(C/C=C/c1ccccc1)[C@@H](C)COC ZINC000661245863 411743308 /nfs/dbraw/zinc/74/33/08/411743308.db2.gz DFXTVZAHKCYONS-SHQCLWGWSA-N 0 3 245.366 3.223 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000661378228 411760039 /nfs/dbraw/zinc/76/00/39/411760039.db2.gz AUGQIYMAHSKYTJ-GFCCVEGCSA-N 0 3 236.384 3.240 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000661378229 411760017 /nfs/dbraw/zinc/76/00/17/411760017.db2.gz AUGQIYMAHSKYTJ-LBPRGKRZSA-N 0 3 236.384 3.240 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000661379374 411762392 /nfs/dbraw/zinc/76/23/92/411762392.db2.gz XQBRQIOBANQOFT-CYBMUJFWSA-N 0 3 234.343 3.080 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000661379375 411762975 /nfs/dbraw/zinc/76/29/75/411762975.db2.gz XQBRQIOBANQOFT-ZDUSSCGKSA-N 0 3 234.343 3.080 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2c(C)onc2CC)C1 ZINC000661379689 411761975 /nfs/dbraw/zinc/76/19/75/411761975.db2.gz GMXJKTVRJZTMDQ-CYBMUJFWSA-N 0 3 248.370 3.334 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2c(C)onc2CC)C1 ZINC000661379690 411762983 /nfs/dbraw/zinc/76/29/83/411762983.db2.gz GMXJKTVRJZTMDQ-ZDUSSCGKSA-N 0 3 248.370 3.334 20 30 BGEDHN C=CC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000661379962 411762061 /nfs/dbraw/zinc/76/20/61/411762061.db2.gz JZNQNENJFXLJRQ-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=CC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000661379963 411761862 /nfs/dbraw/zinc/76/18/62/411761862.db2.gz JZNQNENJFXLJRQ-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000661379986 411761948 /nfs/dbraw/zinc/76/19/48/411761948.db2.gz CREAUGHQRGKYFB-AWEZNQCLSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000661379988 411761831 /nfs/dbraw/zinc/76/18/31/411761831.db2.gz CREAUGHQRGKYFB-CQSZACIVSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2oc(CC)nc2C)C1 ZINC000661380154 487560836 /nfs/dbraw/zinc/56/08/36/487560836.db2.gz BMJHFARAZLSPLO-CYBMUJFWSA-N 0 3 248.370 3.334 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2oc(CC)nc2C)C1 ZINC000661380155 487560980 /nfs/dbraw/zinc/56/09/80/487560980.db2.gz BMJHFARAZLSPLO-ZDUSSCGKSA-N 0 3 248.370 3.334 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000661380194 411762602 /nfs/dbraw/zinc/76/26/02/411762602.db2.gz BXVNUXWNIBUOSR-CYBMUJFWSA-N 0 3 234.343 3.080 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000661380195 411762356 /nfs/dbraw/zinc/76/23/56/411762356.db2.gz BXVNUXWNIBUOSR-ZDUSSCGKSA-N 0 3 234.343 3.080 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000661380506 411763298 /nfs/dbraw/zinc/76/32/98/411763298.db2.gz MWNRVMNPLYZQGV-AWEZNQCLSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000661380507 411762410 /nfs/dbraw/zinc/76/24/10/411762410.db2.gz MWNRVMNPLYZQGV-CQSZACIVSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000661382808 411764769 /nfs/dbraw/zinc/76/47/69/411764769.db2.gz YHEZZUCSQYRSKM-CHWSQXEVSA-N 0 3 234.343 3.332 20 30 BGEDHN C=CC[C@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000661382809 411763795 /nfs/dbraw/zinc/76/37/95/411763795.db2.gz YHEZZUCSQYRSKM-OLZOCXBDSA-N 0 3 234.343 3.332 20 30 BGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000661382810 411763693 /nfs/dbraw/zinc/76/36/93/411763693.db2.gz YHEZZUCSQYRSKM-QWHCGFSZSA-N 0 3 234.343 3.332 20 30 BGEDHN C=CC[C@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000661382811 411764169 /nfs/dbraw/zinc/76/41/69/411764169.db2.gz YHEZZUCSQYRSKM-STQMWFEESA-N 0 3 234.343 3.332 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000661383559 411764726 /nfs/dbraw/zinc/76/47/26/411764726.db2.gz DVUCGORNWNGCEW-GFCCVEGCSA-N 0 3 246.354 3.340 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000661383562 411764650 /nfs/dbraw/zinc/76/46/50/411764650.db2.gz DVUCGORNWNGCEW-LBPRGKRZSA-N 0 3 246.354 3.340 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000661383873 411764371 /nfs/dbraw/zinc/76/43/71/411764371.db2.gz FRXOIOWHKZUEJC-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000661383875 411764017 /nfs/dbraw/zinc/76/40/17/411764017.db2.gz FRXOIOWHKZUEJC-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000661383883 411764925 /nfs/dbraw/zinc/76/49/25/411764925.db2.gz FSLRYHFZVFZOHR-AWEZNQCLSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000661383884 487569076 /nfs/dbraw/zinc/56/90/76/487569076.db2.gz FSLRYHFZVFZOHR-CQSZACIVSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2scnc2C)C1 ZINC000661384562 410601001 /nfs/dbraw/zinc/60/10/01/410601001.db2.gz JOWAMOZJJDLFJB-GFCCVEGCSA-N 0 3 236.384 3.240 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2scnc2C)C1 ZINC000661384570 410600950 /nfs/dbraw/zinc/60/09/50/410600950.db2.gz JOWAMOZJJDLFJB-LBPRGKRZSA-N 0 3 236.384 3.240 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2conc2CC)C1 ZINC000661384629 410599833 /nfs/dbraw/zinc/59/98/33/410599833.db2.gz KBROBOYCYZAJQV-GFCCVEGCSA-N 0 3 234.343 3.025 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2conc2CC)C1 ZINC000661384631 410600854 /nfs/dbraw/zinc/60/08/54/410600854.db2.gz KBROBOYCYZAJQV-LBPRGKRZSA-N 0 3 234.343 3.025 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000661385000 410599632 /nfs/dbraw/zinc/59/96/32/410599632.db2.gz MSYHIHKMWPZDDD-AWEZNQCLSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000661385001 410600839 /nfs/dbraw/zinc/60/08/39/410600839.db2.gz MSYHIHKMWPZDDD-CQSZACIVSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000661386138 410602112 /nfs/dbraw/zinc/60/21/12/410602112.db2.gz RCRFOHJQZQEROK-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000661386142 410602951 /nfs/dbraw/zinc/60/29/51/410602951.db2.gz RCRFOHJQZQEROK-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000661387262 410605195 /nfs/dbraw/zinc/60/51/95/410605195.db2.gz XREWLZOAUGLRCY-KBPBESRZSA-N 0 3 245.370 3.134 20 30 BGEDHN C=CC[C@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000661387264 410604718 /nfs/dbraw/zinc/60/47/18/410604718.db2.gz XREWLZOAUGLRCY-KGLIPLIRSA-N 0 3 245.370 3.134 20 30 BGEDHN C=CC[C@@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000661387266 410605567 /nfs/dbraw/zinc/60/55/67/410605567.db2.gz XREWLZOAUGLRCY-UONOGXRCSA-N 0 3 245.370 3.134 20 30 BGEDHN C=CC[C@@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000661387268 410604838 /nfs/dbraw/zinc/60/48/38/410604838.db2.gz XREWLZOAUGLRCY-ZIAGYGMSSA-N 0 3 245.370 3.134 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(CC)cn2)C1 ZINC000661387379 411766571 /nfs/dbraw/zinc/76/65/71/411766571.db2.gz YGVZGXZGQNPROS-HNNXBMFYSA-N 0 3 244.382 3.432 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(CC)cn2)C1 ZINC000661387381 411766229 /nfs/dbraw/zinc/76/62/29/411766229.db2.gz YGVZGXZGQNPROS-OAHLLOKOSA-N 0 3 244.382 3.432 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000661387733 411765923 /nfs/dbraw/zinc/76/59/23/411765923.db2.gz ZLHYTOZORNBOQX-AWEZNQCLSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000661387734 411766592 /nfs/dbraw/zinc/76/65/92/411766592.db2.gz ZLHYTOZORNBOQX-CQSZACIVSA-N 0 3 230.355 3.178 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000661387751 411766011 /nfs/dbraw/zinc/76/60/11/411766011.db2.gz ZNPACTCHFKENHW-AWEZNQCLSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000661387754 411766446 /nfs/dbraw/zinc/76/64/46/411766446.db2.gz ZNPACTCHFKENHW-CQSZACIVSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CCN[C@@H](c1ccccc1F)C(C)C ZINC000661485470 411784701 /nfs/dbraw/zinc/78/47/01/411784701.db2.gz KHMJDRWULCHRHA-CYBMUJFWSA-N 0 3 207.292 3.298 20 30 BGEDHN C=CCN[C@H](c1ccccc1F)C(C)C ZINC000661485473 411783719 /nfs/dbraw/zinc/78/37/19/411783719.db2.gz KHMJDRWULCHRHA-ZDUSSCGKSA-N 0 3 207.292 3.298 20 30 BGEDHN C=CCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661507930 411791332 /nfs/dbraw/zinc/79/13/32/411791332.db2.gz LMHFHTQTDHRYEF-CYBMUJFWSA-N 0 3 205.276 3.149 20 30 BGEDHN C=CCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661507932 411791246 /nfs/dbraw/zinc/79/12/46/411791246.db2.gz LMHFHTQTDHRYEF-ZDUSSCGKSA-N 0 3 205.276 3.149 20 30 BGEDHN FCC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000661687329 411838056 /nfs/dbraw/zinc/83/80/56/411838056.db2.gz ARCAKYBQVBJNDH-INIZCTEOSA-N 0 3 245.341 3.110 20 30 BGEDHN FCC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000661687330 411837411 /nfs/dbraw/zinc/83/74/11/411837411.db2.gz ARCAKYBQVBJNDH-MRXNPFEDSA-N 0 3 245.341 3.110 20 30 BGEDHN C=C(C)CN1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661710216 411267468 /nfs/dbraw/zinc/26/74/68/411267468.db2.gz RNBORJYZXLREQZ-INIZCTEOSA-N 0 3 245.366 3.235 20 30 BGEDHN C=C(C)CN1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661710218 411267659 /nfs/dbraw/zinc/26/76/59/411267659.db2.gz RNBORJYZXLREQZ-MRXNPFEDSA-N 0 3 245.366 3.235 20 30 BGEDHN C=CCCCN1CCc2cc(OC)ccc2C1 ZINC000661740546 411863458 /nfs/dbraw/zinc/86/34/58/411863458.db2.gz NJQJTCNTDZTMEJ-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(CC)CN1CCc2cc(OC)ccc2C1 ZINC000661740551 411861940 /nfs/dbraw/zinc/86/19/40/411861940.db2.gz OZIYENGXYJAIIV-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=C(C)CCN1CCc2cc(OC)ccc2C1 ZINC000661741391 411863168 /nfs/dbraw/zinc/86/31/68/411863168.db2.gz YNEPCYYVNMUHPS-UHFFFAOYSA-N 0 3 231.339 3.020 20 30 BGEDHN C=CCN(Cc1cnc(C)s1)C(C)(C)C ZINC000661754959 411866106 /nfs/dbraw/zinc/86/61/06/411866106.db2.gz IJFYCKCAHGLDLB-UHFFFAOYSA-N 0 3 224.373 3.238 20 30 BGEDHN C=CCN(CCC(F)(F)F)C(C)(C)C ZINC000661756160 411866154 /nfs/dbraw/zinc/86/61/54/411866154.db2.gz DUTJZDRZXWUPAF-UHFFFAOYSA-N 0 3 209.255 3.225 20 30 BGEDHN C=CCN(Cc1ccc(OCC)cn1)C(C)(C)C ZINC000661756267 411867055 /nfs/dbraw/zinc/86/70/55/411867055.db2.gz IEBWVCLEMWJJAB-UHFFFAOYSA-N 0 3 248.370 3.267 20 30 BGEDHN C=CCN(Cc1cccc(C)n1)C(C)(C)C ZINC000661756812 411868035 /nfs/dbraw/zinc/86/80/35/411868035.db2.gz WBONBUVIZUFGSS-UHFFFAOYSA-N 0 3 218.344 3.177 20 30 BGEDHN C=CCN(Cc1ncccc1C)C(C)(C)C ZINC000661757006 411869067 /nfs/dbraw/zinc/86/90/67/411869067.db2.gz 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BGEDHN C=CCN(Cc1ccc(C)nc1C)C(C)(C)C ZINC000661759210 411870593 /nfs/dbraw/zinc/87/05/93/411870593.db2.gz DQTUZKJCYDDHGK-UHFFFAOYSA-N 0 3 232.371 3.485 20 30 BGEDHN C=CCN(Cc1cccc(OCC)n1)C(C)(C)C ZINC000661759887 411871999 /nfs/dbraw/zinc/87/19/99/411871999.db2.gz LDLNRHDOQDMAQT-UHFFFAOYSA-N 0 3 248.370 3.267 20 30 BGEDHN C=CCN(Cc1cccnc1C)C(C)(C)C ZINC000661759924 411871650 /nfs/dbraw/zinc/87/16/50/411871650.db2.gz MRTMBVUWRJTRIK-UHFFFAOYSA-N 0 3 218.344 3.177 20 30 BGEDHN C=CCN(Cc1cc(C)ccn1)C(C)(C)C ZINC000661760254 411872021 /nfs/dbraw/zinc/87/20/21/411872021.db2.gz OPDFPNKBVOYTFT-UHFFFAOYSA-N 0 3 218.344 3.177 20 30 BGEDHN C=CCN(Cc1ccc(C)cn1)C(C)(C)C ZINC000661760322 411871548 /nfs/dbraw/zinc/87/15/48/411871548.db2.gz QTNVIHLAYGSSHF-UHFFFAOYSA-N 0 3 218.344 3.177 20 30 BGEDHN C=CCN(CCc1c(C)noc1C)C(C)(C)C ZINC000661760464 411871011 /nfs/dbraw/zinc/87/10/11/411871011.db2.gz UXPVSJDRYHRKEH-UHFFFAOYSA-N 0 3 236.359 3.120 20 30 BGEDHN C=CCN(Cc1oc(CC)nc1C)C(C)(C)C ZINC000661760492 411871606 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C=CCC1(NCc2c(C)noc2C)CCCC1 ZINC000661851923 411903079 /nfs/dbraw/zinc/90/30/79/411903079.db2.gz XZUPHCBOYCSODD-UHFFFAOYSA-N 0 3 234.343 3.270 20 30 BGEDHN CCC#C[C@@H](C)N1CCC([C@H]2CCCCO2)CC1 ZINC000661863279 411909145 /nfs/dbraw/zinc/90/91/45/411909145.db2.gz GZZLEXQEKYYBHV-GDBMZVCRSA-N 0 3 249.398 3.069 20 30 BGEDHN CCC#C[C@H](C)N1CCC([C@H]2CCCCO2)CC1 ZINC000661863280 411909166 /nfs/dbraw/zinc/90/91/66/411909166.db2.gz GZZLEXQEKYYBHV-GOEBONIOSA-N 0 3 249.398 3.069 20 30 BGEDHN CCC#C[C@H](C)N1CCC([C@@H]2CCCCO2)CC1 ZINC000661863281 411908424 /nfs/dbraw/zinc/90/84/24/411908424.db2.gz GZZLEXQEKYYBHV-HOCLYGCPSA-N 0 3 249.398 3.069 20 30 BGEDHN CCC#C[C@@H](C)N1CCC([C@@H]2CCCCO2)CC1 ZINC000661863282 411908690 /nfs/dbraw/zinc/90/86/90/411908690.db2.gz GZZLEXQEKYYBHV-ZBFHGGJFSA-N 0 3 249.398 3.069 20 30 BGEDHN Clc1ccc(C#CCN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661976824 411932412 /nfs/dbraw/zinc/93/24/12/411932412.db2.gz VFLVWVIKBWXDDX-KBPBESRZSA-N 0 3 245.753 3.033 20 30 BGEDHN Clc1ccc(C#CCN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661976827 411342658 /nfs/dbraw/zinc/34/26/58/411342658.db2.gz VFLVWVIKBWXDDX-ZIAGYGMSSA-N 0 3 245.753 3.033 20 30 BGEDHN C=CCN1CCC2(CCc3ccccc3O2)CC1 ZINC000662048744 411966511 /nfs/dbraw/zinc/96/65/11/411966511.db2.gz CZJOHMPUPPQUEL-UHFFFAOYSA-N 0 3 243.350 3.032 20 30 BGEDHN C=C(CC)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000662066039 411967101 /nfs/dbraw/zinc/96/71/01/411967101.db2.gz XCRDUYYHZVKOLP-OAHLLOKOSA-N 0 3 231.339 3.106 20 30 BGEDHN CC(C)CC1(NCC#Cc2ccccc2)CC1 ZINC000662067802 411969425 /nfs/dbraw/zinc/96/94/25/411969425.db2.gz COELIQDUTZTYDC-UHFFFAOYSA-N 0 3 227.351 3.206 20 30 BGEDHN CC(C)CC1(NCC#Cc2ccc(F)cc2)CC1 ZINC000662067816 411969873 /nfs/dbraw/zinc/96/98/73/411969873.db2.gz CVGLFWSDLVFXFN-UHFFFAOYSA-N 0 3 245.341 3.346 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C)s1 ZINC000662081111 411978505 /nfs/dbraw/zinc/97/85/05/411978505.db2.gz UPGOAXYOGHXBPS-TXEJJXNPSA-N 0 3 234.368 3.135 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)onc1CC 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ZINC000662089427 411983093 /nfs/dbraw/zinc/98/30/93/411983093.db2.gz YJXLWYKDCADYDW-GASCZTMLSA-N 0 3 228.339 3.073 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1oc(CC)nc1C ZINC000662089484 411982856 /nfs/dbraw/zinc/98/28/56/411982856.db2.gz AELUTNMGSUKHIE-BETUJISGSA-N 0 3 246.354 3.228 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)nsc1C ZINC000662089732 411983051 /nfs/dbraw/zinc/98/30/51/411983051.db2.gz DMPSHXMVOCAQAO-BETUJISGSA-N 0 3 248.395 3.443 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ncc(C)o1 ZINC000662089750 411983938 /nfs/dbraw/zinc/98/39/38/411983938.db2.gz FFDWNJUZHXPVAU-RWMBFGLXSA-N 0 3 232.327 3.227 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ncc(C)o1 ZINC000662089751 411982733 /nfs/dbraw/zinc/98/27/33/411982733.db2.gz FFDWNJUZHXPVAU-UPJWGTAASA-N 0 3 232.327 3.227 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC000662090075 411986135 /nfs/dbraw/zinc/98/61/35/411986135.db2.gz HZBJGYKMYYLDHK-TXEJJXNPSA-N 0 3 234.368 3.135 20 30 BGEDHN 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/nfs/dbraw/zinc/17/49/41/488174941.db2.gz DFIQTGVJWOXHDP-UHFFFAOYSA-N 0 3 244.363 3.447 20 30 BGEDHN C=CCN(C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668010876 487794800 /nfs/dbraw/zinc/79/48/00/487794800.db2.gz LUWYOTIPIOPBEU-UHFFFAOYSA-N 0 3 214.312 3.094 20 30 BGEDHN C=CCN(C)Cc1cc2c(cccc2C)[nH]1 ZINC000668010980 488184145 /nfs/dbraw/zinc/18/41/45/488184145.db2.gz OYZMJTMVPSBGNX-UHFFFAOYSA-N 0 3 214.312 3.094 20 30 BGEDHN C=CCN(C)Cc1ccc(OCC)cc1C ZINC000668011000 488183874 /nfs/dbraw/zinc/18/38/74/488183874.db2.gz PTGUURFMTCZRIB-UHFFFAOYSA-N 0 3 219.328 3.012 20 30 BGEDHN C=CCCN(C)Cc1cc2c(cccc2C)[nH]1 ZINC000668039808 488193643 /nfs/dbraw/zinc/19/36/43/488193643.db2.gz AXLNWPQFINKPEH-UHFFFAOYSA-N 0 3 228.339 3.484 20 30 BGEDHN C=CCCN(C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668040008 487814877 /nfs/dbraw/zinc/81/48/77/487814877.db2.gz IEMUHYKWMMLHSO-UHFFFAOYSA-N 0 3 228.339 3.484 20 30 BGEDHN C=CCCNCc1nc(C(C)C)n2ccccc12 ZINC000668482540 487816255 /nfs/dbraw/zinc/81/62/55/487816255.db2.gz QCKHEUUQVFTELK-UHFFFAOYSA-N 0 3 243.354 3.123 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccnn2CCC)C1 ZINC000668492476 487848032 /nfs/dbraw/zinc/84/80/32/487848032.db2.gz BYWUXNREBZEJRP-AWEZNQCLSA-N 0 3 247.386 3.081 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccnn2CCC)C1 ZINC000668492477 487847707 /nfs/dbraw/zinc/84/77/07/487847707.db2.gz BYWUXNREBZEJRP-CQSZACIVSA-N 0 3 247.386 3.081 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000668492786 490331624 /nfs/dbraw/zinc/33/16/24/490331624.db2.gz GAJBBHAXGDDKIA-CYBMUJFWSA-N 0 3 219.328 3.376 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000668492787 490331282 /nfs/dbraw/zinc/33/12/82/490331282.db2.gz GAJBBHAXGDDKIA-ZDUSSCGKSA-N 0 3 219.328 3.376 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000668492973 487849472 /nfs/dbraw/zinc/84/94/72/487849472.db2.gz IERMKAIWZRXRPW-AWEZNQCLSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000668492979 487850294 /nfs/dbraw/zinc/85/02/94/487850294.db2.gz IERMKAIWZRXRPW-CQSZACIVSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000668493632 487851660 /nfs/dbraw/zinc/85/16/60/487851660.db2.gz PXYFDPCJVNPYSH-AWEZNQCLSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000668493634 487851706 /nfs/dbraw/zinc/85/17/06/487851706.db2.gz PXYFDPCJVNPYSH-CQSZACIVSA-N 0 3 247.386 3.252 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccco2)C1 ZINC000668493987 487852057 /nfs/dbraw/zinc/85/20/57/487852057.db2.gz TURAXFUJSYTJAQ-GFCCVEGCSA-N 0 3 205.301 3.068 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccco2)C1 ZINC000668493992 487852272 /nfs/dbraw/zinc/85/22/72/487852272.db2.gz TURAXFUJSYTJAQ-LBPRGKRZSA-N 0 3 205.301 3.068 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(COC)o2)C1 ZINC000668494227 490334544 /nfs/dbraw/zinc/33/45/44/490334544.db2.gz WSKBRVFAASWMHO-CYBMUJFWSA-N 0 3 249.354 3.214 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(COC)o2)C1 ZINC000668494232 490334465 /nfs/dbraw/zinc/33/44/65/490334465.db2.gz WSKBRVFAASWMHO-ZDUSSCGKSA-N 0 3 249.354 3.214 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cnn(CCC)c2)C1 ZINC000668494379 490334529 /nfs/dbraw/zinc/33/45/29/490334529.db2.gz YKLFPJZUMUAHMO-AWEZNQCLSA-N 0 3 247.386 3.081 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cnn(CCC)c2)C1 ZINC000668494380 490334154 /nfs/dbraw/zinc/33/41/54/490334154.db2.gz YKLFPJZUMUAHMO-CQSZACIVSA-N 0 3 247.386 3.081 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668675956 488095533 /nfs/dbraw/zinc/09/55/33/488095533.db2.gz KCBNJFOXLSBAED-UKRRQHHQSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCOc1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000668675957 488095588 /nfs/dbraw/zinc/09/55/88/488095588.db2.gz KCBNJFOXLSBAED-ZFWWWQNUSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000668676271 488097134 /nfs/dbraw/zinc/09/71/34/488097134.db2.gz OPGLSNRWSDTUNW-GJZGRUSLSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCOc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000668676273 488096793 /nfs/dbraw/zinc/09/67/93/488096793.db2.gz OPGLSNRWSDTUNW-HUUCEWRRSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000668676633 488097987 /nfs/dbraw/zinc/09/79/87/488097987.db2.gz UJOJBBZVUIZHBE-GJZGRUSLSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCOc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000668676634 488098082 /nfs/dbraw/zinc/09/80/82/488098082.db2.gz UJOJBBZVUIZHBE-HUUCEWRRSA-N 0 3 243.350 3.093 20 30 BGEDHN C=CCCC(C)(C)NCc1cc(OC)cc(C)n1 ZINC000668778193 491142320 /nfs/dbraw/zinc/14/23/20/491142320.db2.gz KMKASXVAFAXZFA-UHFFFAOYSA-N 0 3 248.370 3.233 20 30 BGEDHN CCCN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000669379478 537979945 /nfs/dbraw/zinc/97/99/45/537979945.db2.gz DBCRGLHBIQQUSE-UHFFFAOYSA-N 0 3 222.719 3.053 20 30 BGEDHN C=C[C@@H](C)N[C@@H]1CCCc2c(OC)cccc21 ZINC000669615721 487888764 /nfs/dbraw/zinc/88/87/64/487888764.db2.gz UHYBXRULHXTFTA-BXUZGUMPSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@H]1CCCc2c(OC)cccc21 ZINC000669615722 487888746 /nfs/dbraw/zinc/88/87/46/487888746.db2.gz UHYBXRULHXTFTA-FZMZJTMJSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@H]1CCCc2c(OC)cccc21 ZINC000669615723 487888781 /nfs/dbraw/zinc/88/87/81/487888781.db2.gz UHYBXRULHXTFTA-RISCZKNCSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H]1CCCc2c(OC)cccc21 ZINC000669615724 487888808 /nfs/dbraw/zinc/88/88/08/487888808.db2.gz UHYBXRULHXTFTA-SMDDNHRTSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C(C)CN(Cc1ccc(CO)o1)C1CCCC1 ZINC000671720834 487706942 /nfs/dbraw/zinc/70/69/42/487706942.db2.gz APQQNMDGKFHXIL-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC2(CCC2)CC1 ZINC000671729204 487711066 /nfs/dbraw/zinc/71/10/66/487711066.db2.gz GMDSXSISQHABCD-UHFFFAOYSA-N 0 3 239.362 3.304 20 30 BGEDHN C=CCC[C@@H](NCC1(O)CCCC1)c1ccco1 ZINC000671747324 487738106 /nfs/dbraw/zinc/73/81/06/487738106.db2.gz IPDSDPUDEYFLSB-CYBMUJFWSA-N 0 3 249.354 3.182 20 30 BGEDHN C=CCC[C@H](NCC1(O)CCCC1)c1ccco1 ZINC000671747326 487737270 /nfs/dbraw/zinc/73/72/70/487737270.db2.gz IPDSDPUDEYFLSB-ZDUSSCGKSA-N 0 3 249.354 3.182 20 30 BGEDHN C=CCC[C@H](NCCOCC(=C)C)c1ccco1 ZINC000671753188 487790192 /nfs/dbraw/zinc/79/01/92/487790192.db2.gz GRJPVQSYXSDPDN-AWEZNQCLSA-N 0 3 249.354 3.469 20 30 BGEDHN C=CCC[C@@H](NCCOCC(=C)C)c1ccco1 ZINC000671753190 487789976 /nfs/dbraw/zinc/78/99/76/487789976.db2.gz GRJPVQSYXSDPDN-CQSZACIVSA-N 0 3 249.354 3.469 20 30 BGEDHN C=CCC[C@@H](NCCOCC=C)c1ccco1 ZINC000671760077 487829459 /nfs/dbraw/zinc/82/94/59/487829459.db2.gz QIJFNBKNCMUAOC-CYBMUJFWSA-N 0 3 235.327 3.079 20 30 BGEDHN C=CCC[C@H](NCCOCC=C)c1ccco1 ZINC000671760082 487829613 /nfs/dbraw/zinc/82/96/13/487829613.db2.gz QIJFNBKNCMUAOC-ZDUSSCGKSA-N 0 3 235.327 3.079 20 30 BGEDHN C=CCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674014197 487501594 /nfs/dbraw/zinc/50/15/94/487501594.db2.gz ZTDPQFGABROXAA-CYBMUJFWSA-N 0 3 205.276 3.149 20 30 BGEDHN C=CCCN1CC[C@H]1c1cccc(F)c1 ZINC000674014198 487501465 /nfs/dbraw/zinc/50/14/65/487501465.db2.gz ZTDPQFGABROXAA-ZDUSSCGKSA-N 0 3 205.276 3.149 20 30 BGEDHN C=CCCN(C)Cc1cc2ccccc2[nH]1 ZINC000674505472 487589962 /nfs/dbraw/zinc/58/99/62/487589962.db2.gz IKBUKKNZALMVTM-UHFFFAOYSA-N 0 3 214.312 3.176 20 30 BGEDHN C=C(C)CN(C)Cc1cc2ccccc2[nH]1 ZINC000674505516 487589906 /nfs/dbraw/zinc/58/99/06/487589906.db2.gz LBHJAHXVRRMMRF-UHFFFAOYSA-N 0 3 214.312 3.176 20 30 BGEDHN C=CCN(CC=C)CCOc1cc(C)cc(C)c1 ZINC000674709141 487607708 /nfs/dbraw/zinc/60/77/08/487607708.db2.gz CFUNSKKYPWETHV-UHFFFAOYSA-N 0 3 245.366 3.356 20 30 BGEDHN C=CCN(CC=C)CCOc1cccc(CC)c1 ZINC000674709386 487607733 /nfs/dbraw/zinc/60/77/33/487607733.db2.gz JEWNLSOFYLTECD-UHFFFAOYSA-N 0 3 245.366 3.302 20 30 BGEDHN C=C(C)COCCNCc1ccc(CCC)cc1 ZINC000675552980 487747628 /nfs/dbraw/zinc/74/76/28/487747628.db2.gz YXULAFWHYRQQPE-UHFFFAOYSA-N 0 3 247.382 3.321 20 30 BGEDHN C=CCC[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000676421511 487850261 /nfs/dbraw/zinc/85/02/61/487850261.db2.gz JDFWXODOFNTVNB-HNNXBMFYSA-N 0 3 241.338 3.207 20 30 BGEDHN C=CCC[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000676421512 487850460 /nfs/dbraw/zinc/85/04/60/487850460.db2.gz JDFWXODOFNTVNB-OAHLLOKOSA-N 0 3 241.338 3.207 20 30 BGEDHN Fc1ccc(C#CCN2CCC[C@H]2C2CC2)cc1 ZINC000676557631 487872913 /nfs/dbraw/zinc/87/29/13/487872913.db2.gz ORUSBWGTSPDUEO-INIZCTEOSA-N 0 3 243.325 3.052 20 30 BGEDHN Fc1ccc(C#CCN2CCC[C@@H]2C2CC2)cc1 ZINC000676557632 487873294 /nfs/dbraw/zinc/87/32/94/487873294.db2.gz ORUSBWGTSPDUEO-MRXNPFEDSA-N 0 3 243.325 3.052 20 30 BGEDHN C[C@H]1CCC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000676558092 487873055 /nfs/dbraw/zinc/87/30/55/487873055.db2.gz GCAGXARUCJWZKN-KBPBESRZSA-N 0 3 245.341 3.440 20 30 BGEDHN C[C@@H]1CCC[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000676558093 487871445 /nfs/dbraw/zinc/87/14/45/487871445.db2.gz GCAGXARUCJWZKN-ZIAGYGMSSA-N 0 3 245.341 3.440 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@H](C2CC2)C1 ZINC000677031154 487956385 /nfs/dbraw/zinc/95/63/85/487956385.db2.gz ZYUMZJPYROZGOT-KRWDZBQOSA-N 0 3 239.362 3.160 20 30 BGEDHN C(#Cc1ccccc1)CN1CCC[C@@H](C2CC2)C1 ZINC000677031156 487956667 /nfs/dbraw/zinc/95/66/67/487956667.db2.gz ZYUMZJPYROZGOT-QGZVFWFLSA-N 0 3 239.362 3.160 20 30 BGEDHN CCC#C[C@H](C)N(C)CCCOc1ccccc1 ZINC000677046670 487958084 /nfs/dbraw/zinc/95/80/84/487958084.db2.gz GCBBOUMIGJZFGU-HNNXBMFYSA-N 0 3 245.366 3.189 20 30 BGEDHN CCC#C[C@@H](C)N(C)CCCOc1ccccc1 ZINC000677046671 487958020 /nfs/dbraw/zinc/95/80/20/487958020.db2.gz GCBBOUMIGJZFGU-OAHLLOKOSA-N 0 3 245.366 3.189 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000677047937 487959292 /nfs/dbraw/zinc/95/92/92/487959292.db2.gz LELVTRYGQRXDCU-GDBMZVCRSA-N 0 3 227.351 3.278 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000677047938 487958997 /nfs/dbraw/zinc/95/89/97/487958997.db2.gz LELVTRYGQRXDCU-GOEBONIOSA-N 0 3 227.351 3.278 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000677047939 487958621 /nfs/dbraw/zinc/95/86/21/487958621.db2.gz LELVTRYGQRXDCU-HOCLYGCPSA-N 0 3 227.351 3.278 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000677047940 487959239 /nfs/dbraw/zinc/95/92/39/487959239.db2.gz LELVTRYGQRXDCU-ZBFHGGJFSA-N 0 3 227.351 3.278 20 30 BGEDHN C=CCCOCCNCc1ccc(CCC)cc1 ZINC000677426057 488034058 /nfs/dbraw/zinc/03/40/58/488034058.db2.gz UOZKKFXMTICEPV-UHFFFAOYSA-N 0 3 247.382 3.321 20 30 BGEDHN CCC#C[C@H](C)N(C)Cc1ccc(C)cc1 ZINC000677476863 488044791 /nfs/dbraw/zinc/04/47/91/488044791.db2.gz IKNYZYIKSOGPGB-AWEZNQCLSA-N 0 3 215.340 3.229 20 30 BGEDHN CCC#C[C@@H](C)N(C)Cc1ccc(C)cc1 ZINC000677476864 488045936 /nfs/dbraw/zinc/04/59/36/488045936.db2.gz IKNYZYIKSOGPGB-CQSZACIVSA-N 0 3 215.340 3.229 20 30 BGEDHN CCC#C[C@H](C)N(C)Cc1ccc(OCC)cc1 ZINC000677477178 488047398 /nfs/dbraw/zinc/04/73/98/488047398.db2.gz UEOROIJFRJRKAM-AWEZNQCLSA-N 0 3 245.366 3.319 20 30 BGEDHN CCC#C[C@@H](C)N(C)Cc1ccc(OCC)cc1 ZINC000677477179 488046411 /nfs/dbraw/zinc/04/64/11/488046411.db2.gz UEOROIJFRJRKAM-CQSZACIVSA-N 0 3 245.366 3.319 20 30 BGEDHN CCC#C[C@@H](C)N(C)CCc1ccc(F)cc1 ZINC000677477861 488039905 /nfs/dbraw/zinc/03/99/05/488039905.db2.gz BTKXSDPVVIOTGZ-CYBMUJFWSA-N 0 3 233.330 3.102 20 30 BGEDHN CCC#C[C@H](C)N(C)CCc1ccc(F)cc1 ZINC000677477862 488039795 /nfs/dbraw/zinc/03/97/95/488039795.db2.gz BTKXSDPVVIOTGZ-ZDUSSCGKSA-N 0 3 233.330 3.102 20 30 BGEDHN CCC#C[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000677478139 488048842 /nfs/dbraw/zinc/04/88/42/488048842.db2.gz OUUHZMCZUHUNLK-AWEZNQCLSA-N 0 3 245.366 3.237 20 30 BGEDHN CCC#C[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000677478140 488048345 /nfs/dbraw/zinc/04/83/45/488048345.db2.gz OUUHZMCZUHUNLK-CQSZACIVSA-N 0 3 245.366 3.237 20 30 BGEDHN COCC#CCN[C@@H](c1ccccc1)C(C)(C)C ZINC000677478979 488048124 /nfs/dbraw/zinc/04/81/24/488048124.db2.gz HJQYVRUARGNADQ-HNNXBMFYSA-N 0 3 245.366 3.013 20 30 BGEDHN COCC#CCN[C@H](c1ccccc1)C(C)(C)C ZINC000677478980 488043114 /nfs/dbraw/zinc/04/31/14/488043114.db2.gz HJQYVRUARGNADQ-OAHLLOKOSA-N 0 3 245.366 3.013 20 30 BGEDHN Fc1ccc(C#CCN2CCC3(CC3)CC2)cc1 ZINC000677719670 488101265 /nfs/dbraw/zinc/10/12/65/488101265.db2.gz YWGWYHYAGFBLBS-UHFFFAOYSA-N 0 3 243.325 3.053 20 30 BGEDHN CC[C@@H](c1ccccc1)N(CC)CC#CCOC ZINC000677818380 487509660 /nfs/dbraw/zinc/50/96/60/487509660.db2.gz KVDJQNJJGSUIHG-INIZCTEOSA-N 0 3 245.366 3.109 20 30 BGEDHN CC[C@H](c1ccccc1)N(CC)CC#CCOC ZINC000677818381 487509647 /nfs/dbraw/zinc/50/96/47/487509647.db2.gz KVDJQNJJGSUIHG-MRXNPFEDSA-N 0 3 245.366 3.109 20 30 BGEDHN CCC#C[C@H](C)N(CC)Cc1ccccc1 ZINC000677950009 488163354 /nfs/dbraw/zinc/16/33/54/488163354.db2.gz GOJISAPZSFBPEX-AWEZNQCLSA-N 0 3 215.340 3.310 20 30 BGEDHN CCC#C[C@@H](C)N(CC)Cc1ccccc1 ZINC000677950010 488163179 /nfs/dbraw/zinc/16/31/79/488163179.db2.gz GOJISAPZSFBPEX-CQSZACIVSA-N 0 3 215.340 3.310 20 30 BGEDHN CCC#C[C@@H](C)N(CC)Cc1cccs1 ZINC000677951263 488164513 /nfs/dbraw/zinc/16/45/13/488164513.db2.gz MQCCKZJQXDRYCB-GFCCVEGCSA-N 0 3 221.369 3.372 20 30 BGEDHN CCC#C[C@H](C)N(CC)Cc1cccs1 ZINC000677951266 488164257 /nfs/dbraw/zinc/16/42/57/488164257.db2.gz MQCCKZJQXDRYCB-LBPRGKRZSA-N 0 3 221.369 3.372 20 30 BGEDHN C=CCN(CC=C)C[C@@H]1CCOc2ccccc21 ZINC000678120310 488198771 /nfs/dbraw/zinc/19/87/71/488198771.db2.gz GRFNYPFKQWIOBZ-AWEZNQCLSA-N 0 3 243.350 3.227 20 30 BGEDHN C=CCN(CC=C)C[C@H]1CCOc2ccccc21 ZINC000678120312 488199095 /nfs/dbraw/zinc/19/90/95/488199095.db2.gz GRFNYPFKQWIOBZ-CQSZACIVSA-N 0 3 243.350 3.227 20 30 BGEDHN C=C1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000678241853 488225318 /nfs/dbraw/zinc/22/53/18/488225318.db2.gz HCBSBBSOIXDFDJ-AWEZNQCLSA-N 0 3 243.350 3.205 20 30 BGEDHN C=C1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000678241854 488224963 /nfs/dbraw/zinc/22/49/63/488224963.db2.gz HCBSBBSOIXDFDJ-CQSZACIVSA-N 0 3 243.350 3.205 20 30 BGEDHN C=C1CCN(Cc2nccc3ccccc32)CC1 ZINC000678243243 488225505 /nfs/dbraw/zinc/22/55/05/488225505.db2.gz WPCYCYFSADTYTB-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN CCC#C[C@H](C)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000678332171 488241160 /nfs/dbraw/zinc/24/11/60/488241160.db2.gz HFBWTWYBYWFAGK-DZKIICNBSA-N 0 3 227.351 3.481 20 30 BGEDHN CCC#C[C@H](C)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000678332172 488240923 /nfs/dbraw/zinc/24/09/23/488240923.db2.gz HFBWTWYBYWFAGK-IJEWVQPXSA-N 0 3 227.351 3.481 20 30 BGEDHN CCC#C[C@H](C)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000678332173 488241046 /nfs/dbraw/zinc/24/10/46/488241046.db2.gz HFBWTWYBYWFAGK-OFQRWUPVSA-N 0 3 227.351 3.481 20 30 BGEDHN CCC#C[C@H](C)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000678332174 488240914 /nfs/dbraw/zinc/24/09/14/488240914.db2.gz HFBWTWYBYWFAGK-YCPHGPKFSA-N 0 3 227.351 3.481 20 30 BGEDHN C=C(C)COCCN[C@H]1CCc2c1cccc2C ZINC000678596964 488269874 /nfs/dbraw/zinc/26/98/74/488269874.db2.gz XOVGTDANNHWAHH-INIZCTEOSA-N 0 3 245.366 3.165 20 30 BGEDHN C=C(C)COCCN[C@@H]1CCc2c1cccc2C ZINC000678596965 488269950 /nfs/dbraw/zinc/26/99/50/488269950.db2.gz XOVGTDANNHWAHH-MRXNPFEDSA-N 0 3 245.366 3.165 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1cc(C)ncn1 ZINC000678604432 488270994 /nfs/dbraw/zinc/27/09/94/488270994.db2.gz DYBLEKISKICVCR-CYBMUJFWSA-N 0 3 233.359 3.010 20 30 BGEDHN C=CCC[C@H](CCC)NCc1cc(C)ncn1 ZINC000678604433 488270914 /nfs/dbraw/zinc/27/09/14/488270914.db2.gz DYBLEKISKICVCR-ZDUSSCGKSA-N 0 3 233.359 3.010 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(OC)c(OC)c1 ZINC000678622610 488273316 /nfs/dbraw/zinc/27/33/16/488273316.db2.gz BQGYFVPGXIDAKT-UHFFFAOYSA-N 0 3 249.354 3.102 20 30 BGEDHN C=C(CC)CN(CC)CCC(F)(F)F ZINC000678623803 488273561 /nfs/dbraw/zinc/27/35/61/488273561.db2.gz MVBDBNYRLIKMRY-UHFFFAOYSA-N 0 3 209.255 3.227 20 30 BGEDHN C=C(CC)CN1CCCO[C@H](c2ccccc2)C1 ZINC000678624358 488273903 /nfs/dbraw/zinc/27/39/03/488273903.db2.gz ZYKJSAGBKJFKCB-INIZCTEOSA-N 0 3 245.366 3.416 20 30 BGEDHN C=C(CC)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000678624359 488273509 /nfs/dbraw/zinc/27/35/09/488273509.db2.gz ZYKJSAGBKJFKCB-MRXNPFEDSA-N 0 3 245.366 3.416 20 30 BGEDHN C=C(CC)CN1CCCc2sccc2C1 ZINC000678624640 488273854 /nfs/dbraw/zinc/27/38/54/488273854.db2.gz IDUATSHHUXERNG-UHFFFAOYSA-N 0 3 221.369 3.463 20 30 BGEDHN C=C(CC)CN1CCC(c2ccccn2)CC1 ZINC000678629007 488274436 /nfs/dbraw/zinc/27/44/36/488274436.db2.gz UQYNYBJHCRJSQD-UHFFFAOYSA-N 0 3 230.355 3.227 20 30 BGEDHN C=C(CC)CN1CCC(c2cccnc2)CC1 ZINC000678632616 488275147 /nfs/dbraw/zinc/27/51/47/488275147.db2.gz QROGHPMSVBTXCK-UHFFFAOYSA-N 0 3 230.355 3.227 20 30 BGEDHN C=CCCC[C@@H](C)N(C)Cc1ccc(OC)nc1 ZINC000678718506 488278564 /nfs/dbraw/zinc/27/85/64/488278564.db2.gz CBJWAKABVHYXEC-CYBMUJFWSA-N 0 3 248.370 3.267 20 30 BGEDHN C=CCCC[C@H](C)N(C)Cc1ccc(OC)nc1 ZINC000678718509 488278394 /nfs/dbraw/zinc/27/83/94/488278394.db2.gz CBJWAKABVHYXEC-ZDUSSCGKSA-N 0 3 248.370 3.267 20 30 BGEDHN COCC#CCN[C@@H](CC(C)C)c1ccccc1 ZINC000678730346 488279637 /nfs/dbraw/zinc/27/96/37/488279637.db2.gz VWZBJYPAMQRJEO-INIZCTEOSA-N 0 3 245.366 3.013 20 30 BGEDHN COCC#CCN[C@H](CC(C)C)c1ccccc1 ZINC000678730347 488279760 /nfs/dbraw/zinc/27/97/60/488279760.db2.gz VWZBJYPAMQRJEO-MRXNPFEDSA-N 0 3 245.366 3.013 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732703 488279918 /nfs/dbraw/zinc/27/99/18/488279918.db2.gz QPEJVWHBJNYVEG-NEPJUHHUSA-N 0 3 249.329 3.287 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000678732705 488279502 /nfs/dbraw/zinc/27/95/02/488279502.db2.gz QPEJVWHBJNYVEG-NWDGAFQWSA-N 0 3 249.329 3.287 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732707 488279913 /nfs/dbraw/zinc/27/99/13/488279913.db2.gz QPEJVWHBJNYVEG-RYUDHWBXSA-N 0 3 249.329 3.287 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000678732708 488279764 /nfs/dbraw/zinc/27/97/64/488279764.db2.gz QPEJVWHBJNYVEG-VXGBXAGGSA-N 0 3 249.329 3.287 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OC)cc1 ZINC000678735847 488279666 /nfs/dbraw/zinc/27/96/66/488279666.db2.gz CJVBWURHUDQBBS-CHWSQXEVSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000678735848 488280082 /nfs/dbraw/zinc/28/00/82/488280082.db2.gz CJVBWURHUDQBBS-OLZOCXBDSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OC)cc1 ZINC000678735849 488280270 /nfs/dbraw/zinc/28/02/70/488280270.db2.gz CJVBWURHUDQBBS-QWHCGFSZSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000678735850 488280207 /nfs/dbraw/zinc/28/02/07/488280207.db2.gz CJVBWURHUDQBBS-STQMWFEESA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000678735954 488280362 /nfs/dbraw/zinc/28/03/62/488280362.db2.gz LKCDKELPSZYIGS-CHWSQXEVSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000678735955 488280071 /nfs/dbraw/zinc/28/00/71/488280071.db2.gz LKCDKELPSZYIGS-OLZOCXBDSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000678735956 488280328 /nfs/dbraw/zinc/28/03/28/488280328.db2.gz LKCDKELPSZYIGS-QWHCGFSZSA-N 0 3 231.339 3.148 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000678735957 488280003 /nfs/dbraw/zinc/28/00/03/488280003.db2.gz LKCDKELPSZYIGS-STQMWFEESA-N 0 3 231.339 3.148 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000678773817 488281787 /nfs/dbraw/zinc/28/17/87/488281787.db2.gz ALLMDVWHBAEGME-CHWSQXEVSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000678773818 488281597 /nfs/dbraw/zinc/28/15/97/488281597.db2.gz ALLMDVWHBAEGME-OLZOCXBDSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H](C)c1nccn1C ZINC000678773819 488281577 /nfs/dbraw/zinc/28/15/77/488281577.db2.gz ALLMDVWHBAEGME-QWHCGFSZSA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000678773820 488281625 /nfs/dbraw/zinc/28/16/25/488281625.db2.gz ALLMDVWHBAEGME-STQMWFEESA-N 0 3 235.375 3.206 20 30 BGEDHN C=CCCC[C@H](C)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679220017 487783335 /nfs/dbraw/zinc/78/33/35/487783335.db2.gz HWECNAFKATXRCV-AGIUHOORSA-N 0 3 213.340 3.411 20 30 BGEDHN C=CCCC[C@H](C)N1CC[C@H](C)[C@@H](F)C1 ZINC000679220018 487783301 /nfs/dbraw/zinc/78/33/01/487783301.db2.gz HWECNAFKATXRCV-AVGNSLFASA-N 0 3 213.340 3.411 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCCC)cc1 ZINC000679220432 488319372 /nfs/dbraw/zinc/31/93/72/488319372.db2.gz XVBRKLDCLUKQBI-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCCC[C@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC000679220567 487783923 /nfs/dbraw/zinc/78/39/23/487783923.db2.gz HWECNAFKATXRCV-FRRDWIJNSA-N 0 3 213.340 3.411 20 30 BGEDHN C=CCCC[C@H](C)N1CC[C@H](C)[C@H](F)C1 ZINC000679220569 487783950 /nfs/dbraw/zinc/78/39/50/487783950.db2.gz HWECNAFKATXRCV-RWMBFGLXSA-N 0 3 213.340 3.411 20 30 BGEDHN C=C(CN[C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000679336502 488341380 /nfs/dbraw/zinc/34/13/80/488341380.db2.gz QEEUQRVMGUHFSE-GFCCVEGCSA-N 0 3 241.338 3.082 20 30 BGEDHN C=C(CN[C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000679336503 488341362 /nfs/dbraw/zinc/34/13/62/488341362.db2.gz QEEUQRVMGUHFSE-LBPRGKRZSA-N 0 3 241.338 3.082 20 30 BGEDHN C=C(C)CN(C)Cc1nccc2ccccc21 ZINC000679359150 488345151 /nfs/dbraw/zinc/34/51/51/488345151.db2.gz KUUXKIXKHKJVSO-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=C(C)CN(C)Cc1cccc(OCCC)c1 ZINC000679359166 488345355 /nfs/dbraw/zinc/34/53/55/488345355.db2.gz KYNCHQJJPJHCOB-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=C(C)CN(C)Cc1ccnc2ccccc12 ZINC000679359276 488345439 /nfs/dbraw/zinc/34/54/39/488345439.db2.gz MCECTXOOSWCLOJ-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=CCOc1cccc(CN2CC=CCC2)c1 ZINC000679360249 488346015 /nfs/dbraw/zinc/34/60/15/488346015.db2.gz UETWYXBZLSAQRV-UHFFFAOYSA-N 0 3 229.323 3.013 20 30 BGEDHN C=CCOc1ccc(CN2CC=CCC2)cc1 ZINC000679360644 488345732 /nfs/dbraw/zinc/34/57/32/488345732.db2.gz USUYYBHDZHSDMQ-UHFFFAOYSA-N 0 3 229.323 3.013 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(CC)s1 ZINC000679362536 488346294 /nfs/dbraw/zinc/34/62/94/488346294.db2.gz YZGXTPMRXTZEFF-UHFFFAOYSA-N 0 3 209.358 3.318 20 30 BGEDHN C=CCOCCNCc1cc2ccccc2s1 ZINC000679486683 488354684 /nfs/dbraw/zinc/35/46/84/488354684.db2.gz REYAIBAJMJYSHT-UHFFFAOYSA-N 0 3 247.363 3.194 20 30 BGEDHN C=C(C)CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542087 488357408 /nfs/dbraw/zinc/35/74/08/488357408.db2.gz MZBHORRVMWWGQQ-NXEZZACHSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(C)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542088 488357119 /nfs/dbraw/zinc/35/71/19/488357119.db2.gz MZBHORRVMWWGQQ-UWVGGRQHSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(C)CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542089 488357199 /nfs/dbraw/zinc/35/71/99/488357199.db2.gz MZBHORRVMWWGQQ-VHSXEESVSA-N 0 3 221.266 3.225 20 30 BGEDHN C=C(C)CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542090 488357054 /nfs/dbraw/zinc/35/70/54/488357054.db2.gz MZBHORRVMWWGQQ-ZJUUUORDSA-N 0 3 221.266 3.225 20 30 BGEDHN C=CCOCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000679575764 488359012 /nfs/dbraw/zinc/35/90/12/488359012.db2.gz AZVOJURMJCFLCX-CYBMUJFWSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCN[C@H]1CC(C)(C)Cc2occc21 ZINC000679575766 488359045 /nfs/dbraw/zinc/35/90/45/488359045.db2.gz AZVOJURMJCFLCX-ZDUSSCGKSA-N 0 3 249.354 3.085 20 30 BGEDHN C=CCOCCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000679575983 487608155 /nfs/dbraw/zinc/60/81/55/487608155.db2.gz GABILONTGXTYDE-DZGCQCFKSA-N 0 3 245.366 3.336 20 30 BGEDHN C=CCOCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000679575986 487608588 /nfs/dbraw/zinc/60/85/88/487608588.db2.gz GABILONTGXTYDE-HIFRSBDPSA-N 0 3 245.366 3.336 20 30 BGEDHN C=CCOCCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000679575991 487608113 /nfs/dbraw/zinc/60/81/13/487608113.db2.gz GABILONTGXTYDE-UKRRQHHQSA-N 0 3 245.366 3.336 20 30 BGEDHN C=CCOCCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000679575994 487608104 /nfs/dbraw/zinc/60/81/04/487608104.db2.gz GABILONTGXTYDE-ZFWWWQNUSA-N 0 3 245.366 3.336 20 30 BGEDHN C=CCOCCN[C@H]1CC(C)(C)c2ccccc21 ZINC000679576167 488359064 /nfs/dbraw/zinc/35/90/64/488359064.db2.gz JRVJOJAQVISMMR-HNNXBMFYSA-N 0 3 245.366 3.201 20 30 BGEDHN C=CCOCCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000679576168 488358961 /nfs/dbraw/zinc/35/89/61/488358961.db2.gz JRVJOJAQVISMMR-OAHLLOKOSA-N 0 3 245.366 3.201 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccncc1CC ZINC000679945935 487499313 /nfs/dbraw/zinc/49/93/13/487499313.db2.gz AVPOBVAYKRRNCS-CHWSQXEVSA-N 0 3 230.355 3.097 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccncc1CC ZINC000679945938 487499230 /nfs/dbraw/zinc/49/92/30/487499230.db2.gz AVPOBVAYKRRNCS-OLZOCXBDSA-N 0 3 230.355 3.097 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1ccncc1CC ZINC000679945941 487499551 /nfs/dbraw/zinc/49/95/51/487499551.db2.gz AVPOBVAYKRRNCS-QWHCGFSZSA-N 0 3 230.355 3.097 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccncc1CC ZINC000679945944 487500127 /nfs/dbraw/zinc/50/01/27/487500127.db2.gz AVPOBVAYKRRNCS-STQMWFEESA-N 0 3 230.355 3.097 20 30 BGEDHN C=C1CCN(Cc2cccc3cnccc32)CC1 ZINC000679986180 487966862 /nfs/dbraw/zinc/96/68/62/487966862.db2.gz VRTHYNIYHBLPTI-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN C=C(C)CN(C)CCc1cccc(F)c1F ZINC000680075384 487533933 /nfs/dbraw/zinc/53/39/33/487533933.db2.gz GWVFQOGFHUOXDY-UHFFFAOYSA-N 0 3 225.282 3.015 20 30 BGEDHN C=C(CC)CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680110296 487537150 /nfs/dbraw/zinc/53/71/50/487537150.db2.gz YRQKJNIDGCPDBQ-HNNXBMFYSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C(CC)CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680110297 487537315 /nfs/dbraw/zinc/53/73/15/487537315.db2.gz YRQKJNIDGCPDBQ-OAHLLOKOSA-N 0 3 249.329 3.245 20 30 BGEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000680406065 487589825 /nfs/dbraw/zinc/58/98/25/487589825.db2.gz UGKKJPJCDHHZPT-AAEUAGOBSA-N 0 3 245.322 3.020 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000680406066 488170048 /nfs/dbraw/zinc/17/00/48/488170048.db2.gz UGKKJPJCDHHZPT-DGCLKSJQSA-N 0 3 245.322 3.020 20 30 BGEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000680406067 488169718 /nfs/dbraw/zinc/16/97/18/488169718.db2.gz UGKKJPJCDHHZPT-WCQYABFASA-N 0 3 245.322 3.020 20 30 BGEDHN C=C(C)[C@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000680406068 488169610 /nfs/dbraw/zinc/16/96/10/488169610.db2.gz UGKKJPJCDHHZPT-YPMHNXCESA-N 0 3 245.322 3.020 20 30 BGEDHN C=CCOCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000680469778 487602031 /nfs/dbraw/zinc/60/20/31/487602031.db2.gz HNVITPLICZEAFH-HNNXBMFYSA-N 0 3 249.354 3.221 20 30 BGEDHN C=CCOCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000680469946 487601627 /nfs/dbraw/zinc/60/16/27/487601627.db2.gz HNVITPLICZEAFH-OAHLLOKOSA-N 0 3 249.354 3.221 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccc(F)cc1F ZINC000680475081 487602915 /nfs/dbraw/zinc/60/29/15/487602915.db2.gz BCPXPRDSJCPIOD-PLNGDYQASA-N 0 3 237.293 3.486 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccc(F)cc1F ZINC000680475084 487602932 /nfs/dbraw/zinc/60/29/32/487602932.db2.gz BCPXPRDSJCPIOD-SNAWJCMRSA-N 0 3 237.293 3.486 20 30 BGEDHN C=CCC[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000680637353 487626079 /nfs/dbraw/zinc/62/60/79/487626079.db2.gz XTCXJGIBSIMVED-GFCCVEGCSA-N 0 3 243.354 3.018 20 30 BGEDHN C=CCC[C@H](C)NCc1nn(C)c2ccccc12 ZINC000680637354 487626581 /nfs/dbraw/zinc/62/65/81/487626581.db2.gz XTCXJGIBSIMVED-LBPRGKRZSA-N 0 3 243.354 3.018 20 30 BGEDHN CC#CCCN(CCC)Cc1ccccc1F ZINC000680883069 487663313 /nfs/dbraw/zinc/66/33/13/487663313.db2.gz WHUVVVWYKWIXCC-UHFFFAOYSA-N 0 3 233.330 3.451 20 30 BGEDHN CC#CCCN1CCS[C@H](c2ccccc2)C1 ZINC000680884153 487664735 /nfs/dbraw/zinc/66/47/35/487664735.db2.gz OWBRMQYFZJEPKN-HNNXBMFYSA-N 0 3 245.391 3.190 20 30 BGEDHN CC#CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000680884157 487665283 /nfs/dbraw/zinc/66/52/83/487665283.db2.gz OWBRMQYFZJEPKN-OAHLLOKOSA-N 0 3 245.391 3.190 20 30 BGEDHN CC#CCCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000680887652 487660527 /nfs/dbraw/zinc/66/05/27/487660527.db2.gz QEPITEDXFGOJTD-GHMZBOCLSA-N 0 3 233.277 3.063 20 30 BGEDHN CC#CCCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000680887661 487661467 /nfs/dbraw/zinc/66/14/67/487661467.db2.gz QEPITEDXFGOJTD-MNOVXSKESA-N 0 3 233.277 3.063 20 30 BGEDHN CC#CCCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000680887662 487661123 /nfs/dbraw/zinc/66/11/23/487661123.db2.gz QEPITEDXFGOJTD-QWRGUYRKSA-N 0 3 233.277 3.063 20 30 BGEDHN CC#CCCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000680887665 487661301 /nfs/dbraw/zinc/66/13/01/487661301.db2.gz QEPITEDXFGOJTD-WDEREUQCSA-N 0 3 233.277 3.063 20 30 BGEDHN C=C(C)CCN(CC)CCC(F)(F)F ZINC000681401889 487792827 /nfs/dbraw/zinc/79/28/27/487792827.db2.gz DTFJZUOUVKXDNV-UHFFFAOYSA-N 0 3 209.255 3.227 20 30 BGEDHN CCC#C[C@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000681476226 487802554 /nfs/dbraw/zinc/80/25/54/487802554.db2.gz JSIOXWDLOSFAIE-AWEZNQCLSA-N 0 3 239.362 3.336 20 30 BGEDHN CCC#C[C@@H](C)N1Cc2ccccc2C2(CC2)C1 ZINC000681476234 487802628 /nfs/dbraw/zinc/80/26/28/487802628.db2.gz JSIOXWDLOSFAIE-CQSZACIVSA-N 0 3 239.362 3.336 20 30 BGEDHN C=CCN(C)Cc1ccccc1C1CC1 ZINC000681758147 487857287 /nfs/dbraw/zinc/85/72/87/487857287.db2.gz FKHPEKXJAHHRHN-UHFFFAOYSA-N 0 3 201.313 3.182 20 30 BGEDHN C=CC1CCN([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682071516 487893351 /nfs/dbraw/zinc/89/33/51/487893351.db2.gz OVFXULVUUDTEAP-GFCCVEGCSA-N 0 3 245.370 3.052 20 30 BGEDHN C=CC1CCN([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682071517 487893901 /nfs/dbraw/zinc/89/39/01/487893901.db2.gz OVFXULVUUDTEAP-LBPRGKRZSA-N 0 3 245.370 3.052 20 30 BGEDHN C=C1CCN([C@H]2CCc3ccccc32)CC1 ZINC000682074317 487898177 /nfs/dbraw/zinc/89/81/77/487898177.db2.gz PNCBHTFPJBNIQK-HNNXBMFYSA-N 0 3 213.324 3.326 20 30 BGEDHN C=C1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000682074333 487897340 /nfs/dbraw/zinc/89/73/40/487897340.db2.gz PNCBHTFPJBNIQK-OAHLLOKOSA-N 0 3 213.324 3.326 20 30 BGEDHN C=CCCCN(C)[C@H](C)c1cnc(C)nc1C ZINC000682075167 487899478 /nfs/dbraw/zinc/89/94/78/487899478.db2.gz XWCHUFSZKBOJBM-GFCCVEGCSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCN(C)[C@@H](C)c1cnc(C)nc1C ZINC000682075168 487898951 /nfs/dbraw/zinc/89/89/51/487898951.db2.gz XWCHUFSZKBOJBM-LBPRGKRZSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCN(C)Cc1cnc(C2CC2)s1 ZINC000682436479 487962784 /nfs/dbraw/zinc/96/27/84/487962784.db2.gz MIINOBVDLNVQNP-UHFFFAOYSA-N 0 3 222.357 3.028 20 30 BGEDHN C=CCC[C@H](NCC[C@H]1CCCO1)c1ccco1 ZINC000682805338 488042924 /nfs/dbraw/zinc/04/29/24/488042924.db2.gz FQZVTAPKEAOSAZ-KGLIPLIRSA-N 0 3 249.354 3.446 20 30 BGEDHN C=CCC[C@@H](NCC[C@H]1CCCO1)c1ccco1 ZINC000682805340 487564928 /nfs/dbraw/zinc/56/49/28/487564928.db2.gz FQZVTAPKEAOSAZ-ZIAGYGMSSA-N 0 3 249.354 3.446 20 30 BGEDHN C=CCN(CCOC)CC(C)(C)c1ccccc1 ZINC000683000488 488083039 /nfs/dbraw/zinc/08/30/39/488083039.db2.gz ALTAAOINDWTJMC-UHFFFAOYSA-N 0 3 247.382 3.099 20 30 BGEDHN C=CCN(CCOC)Cc1ccccc1C1CC1 ZINC000683001042 488083761 /nfs/dbraw/zinc/08/37/61/488083761.db2.gz NGHZGRIJRPSTDV-UHFFFAOYSA-N 0 3 245.366 3.198 20 30 BGEDHN C(#Cc1ccccc1)CN1C2CCCC1CCC2 ZINC000683011567 488091589 /nfs/dbraw/zinc/09/15/89/488091589.db2.gz RIFZMZPKAKXVEC-UHFFFAOYSA-N 0 3 239.362 3.445 20 30 BGEDHN CCC#C[C@H](C)N1CCC(c2ccncc2)CC1 ZINC000683226468 487633187 /nfs/dbraw/zinc/63/31/87/487633187.db2.gz OWCSDBUXBYFPST-AWEZNQCLSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@@H](C)N1CCC(c2ccncc2)CC1 ZINC000683226469 487632267 /nfs/dbraw/zinc/63/22/67/487632267.db2.gz OWCSDBUXBYFPST-CQSZACIVSA-N 0 3 242.366 3.063 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@H](CC(F)(F)F)C1 ZINC000683524954 488185296 /nfs/dbraw/zinc/18/52/96/488185296.db2.gz LMJNEQXYESQBIY-GHMZBOCLSA-N 0 3 233.277 3.063 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@@H](CC(F)(F)F)C1 ZINC000683524956 488185310 /nfs/dbraw/zinc/18/53/10/488185310.db2.gz LMJNEQXYESQBIY-MNOVXSKESA-N 0 3 233.277 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](CC(F)(F)F)C1 ZINC000683524958 488185018 /nfs/dbraw/zinc/18/50/18/488185018.db2.gz LMJNEQXYESQBIY-QWRGUYRKSA-N 0 3 233.277 3.063 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](CC(F)(F)F)C1 ZINC000683524960 488185840 /nfs/dbraw/zinc/18/58/40/488185840.db2.gz LMJNEQXYESQBIY-WDEREUQCSA-N 0 3 233.277 3.063 20 30 BGEDHN C=CCCCCCN1CCC[C@@H](OC(F)F)C1 ZINC000683785479 488221889 /nfs/dbraw/zinc/22/18/89/488221889.db2.gz VZOFIFVXXINPPZ-GFCCVEGCSA-N 0 3 247.329 3.436 20 30 BGEDHN C=CCCCCCN1CCC[C@H](OC(F)F)C1 ZINC000683785480 488222156 /nfs/dbraw/zinc/22/21/56/488222156.db2.gz VZOFIFVXXINPPZ-LBPRGKRZSA-N 0 3 247.329 3.436 20 30 BGEDHN C=CCCCCCN1CC2(C1)CC(F)(F)C2 ZINC000683786098 488222148 /nfs/dbraw/zinc/22/21/48/488222148.db2.gz ZCSAAKFCKXYGHO-UHFFFAOYSA-N 0 3 229.314 3.464 20 30 BGEDHN C=CCCCCCN1CC[C@@H](C)[C@H](F)C1 ZINC000683786350 488222223 /nfs/dbraw/zinc/22/22/23/488222223.db2.gz KFEZOKNMPOJEPQ-CHWSQXEVSA-N 0 3 213.340 3.413 20 30 BGEDHN C=CCCCCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000683786376 488221840 /nfs/dbraw/zinc/22/18/40/488221840.db2.gz KFEZOKNMPOJEPQ-OLZOCXBDSA-N 0 3 213.340 3.413 20 30 BGEDHN C=CCCCCCN1CC[C@H](C)[C@H](F)C1 ZINC000683786377 488222390 /nfs/dbraw/zinc/22/23/90/488222390.db2.gz KFEZOKNMPOJEPQ-QWHCGFSZSA-N 0 3 213.340 3.413 20 30 BGEDHN C=CCCCCCN1CC[C@H](C)[C@@H](F)C1 ZINC000683786378 488222497 /nfs/dbraw/zinc/22/24/97/488222497.db2.gz KFEZOKNMPOJEPQ-STQMWFEESA-N 0 3 213.340 3.413 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cccc(N(C)C)c1 ZINC000683792938 488222947 /nfs/dbraw/zinc/22/29/47/488222947.db2.gz HWQFGYBWLXWVPN-HNNXBMFYSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cccc(N(C)C)c1 ZINC000683792939 488223143 /nfs/dbraw/zinc/22/31/43/488223143.db2.gz HWQFGYBWLXWVPN-OAHLLOKOSA-N 0 3 244.382 3.293 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000683805866 488223941 /nfs/dbraw/zinc/22/39/41/488223941.db2.gz XQZBVAXXHAIRHR-DZGCQCFKSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000683805867 488223794 /nfs/dbraw/zinc/22/37/94/488223794.db2.gz XQZBVAXXHAIRHR-HIFRSBDPSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000683805868 488224053 /nfs/dbraw/zinc/22/40/53/488224053.db2.gz XQZBVAXXHAIRHR-UKRRQHHQSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000683805869 488224070 /nfs/dbraw/zinc/22/40/70/488224070.db2.gz XQZBVAXXHAIRHR-ZFWWWQNUSA-N 0 3 245.341 3.417 20 30 BGEDHN C=CCN(CC=C)Cc1ccc2cnccc2c1 ZINC000683824122 488226254 /nfs/dbraw/zinc/22/62/54/488226254.db2.gz YJDRSAZNFADRTM-UHFFFAOYSA-N 0 3 238.334 3.409 20 30 BGEDHN C=C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683828628 488227910 /nfs/dbraw/zinc/22/79/10/488227910.db2.gz GJPFZYXKGOERBL-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN C=C(C)CN(C)Cc1ccc2cnccc2c1 ZINC000683835161 488229602 /nfs/dbraw/zinc/22/96/02/488229602.db2.gz QKGIDSGRZJIMGX-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=CCN(Cc1ccc2cnccc2c1)C1CC1 ZINC000683837417 488230346 /nfs/dbraw/zinc/23/03/46/488230346.db2.gz GDTGYUVWRDZRDS-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000683843993 488230944 /nfs/dbraw/zinc/23/09/44/488230944.db2.gz OSIUJFVMFLGHHN-GFCCVEGCSA-N 0 3 241.338 3.103 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000683843995 488231042 /nfs/dbraw/zinc/23/10/42/488231042.db2.gz OSIUJFVMFLGHHN-LBPRGKRZSA-N 0 3 241.338 3.103 20 30 BGEDHN C=CCN(Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684026079 488256882 /nfs/dbraw/zinc/25/68/82/488256882.db2.gz WLVNHKMDOOJCQJ-UHFFFAOYSA-N 0 3 226.323 3.318 20 30 BGEDHN C=CCCCNCc1ncccc1C(F)(F)F ZINC000684110535 488267383 /nfs/dbraw/zinc/26/73/83/488267383.db2.gz OBTFWCBMKJOFIM-UHFFFAOYSA-N 0 3 244.260 3.156 20 30 BGEDHN C=CCOCCCN[C@H](C)c1ccccc1F ZINC000684203842 488276105 /nfs/dbraw/zinc/27/61/05/488276105.db2.gz DAWRQBQTFCZEOW-GFCCVEGCSA-N 0 3 237.318 3.069 20 30 BGEDHN C=CCOCCCN[C@@H](C)c1ccccc1F ZINC000684203843 488275943 /nfs/dbraw/zinc/27/59/43/488275943.db2.gz DAWRQBQTFCZEOW-LBPRGKRZSA-N 0 3 237.318 3.069 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000684209955 488277542 /nfs/dbraw/zinc/27/75/42/488277542.db2.gz NQXYWDTXVSOHRV-AXFHLTTASA-N 0 3 233.277 3.061 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000684209957 488277516 /nfs/dbraw/zinc/27/75/16/488277516.db2.gz NQXYWDTXVSOHRV-DCAQKATOSA-N 0 3 233.277 3.061 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000684209959 488277208 /nfs/dbraw/zinc/27/72/08/488277208.db2.gz NQXYWDTXVSOHRV-GARJFASQSA-N 0 3 233.277 3.061 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000684209960 488277354 /nfs/dbraw/zinc/27/73/54/488277354.db2.gz NQXYWDTXVSOHRV-HBNTYKKESA-N 0 3 233.277 3.061 20 30 BGEDHN C=CCOc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684408618 488307882 /nfs/dbraw/zinc/30/78/82/488307882.db2.gz KONKCKUGIVYXFB-UHFFFAOYSA-N 0 3 245.366 3.339 20 30 BGEDHN C=CCOc1ccccc1CN1CC(C(C)C)C1 ZINC000684408742 487872440 /nfs/dbraw/zinc/87/24/40/487872440.db2.gz NRVQUWNEUYUMJA-UHFFFAOYSA-N 0 3 245.366 3.339 20 30 BGEDHN C=CCOc1cccc(CN2CC(C(C)C)C2)c1 ZINC000684409012 488308370 /nfs/dbraw/zinc/30/83/70/488308370.db2.gz YCLBIYBYWZIMQK-UHFFFAOYSA-N 0 3 245.366 3.339 20 30 BGEDHN C=CCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000684412660 488308910 /nfs/dbraw/zinc/30/89/10/488308910.db2.gz YWNZEJLKZKESFV-BETUJISGSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000684412662 488308715 /nfs/dbraw/zinc/30/87/15/488308715.db2.gz YWNZEJLKZKESFV-CHWSQXEVSA-N 0 3 231.339 3.234 20 30 BGEDHN C=CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000684412663 488308842 /nfs/dbraw/zinc/30/88/42/488308842.db2.gz YWNZEJLKZKESFV-STQMWFEESA-N 0 3 231.339 3.234 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625556 488334998 /nfs/dbraw/zinc/33/49/98/488334998.db2.gz WXFWKPJQEIQZNT-DZGCQCFKSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625557 488335071 /nfs/dbraw/zinc/33/50/71/488335071.db2.gz WXFWKPJQEIQZNT-HIFRSBDPSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625558 488334936 /nfs/dbraw/zinc/33/49/36/488334936.db2.gz WXFWKPJQEIQZNT-UKRRQHHQSA-N 0 3 245.341 3.417 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625559 488335094 /nfs/dbraw/zinc/33/50/94/488335094.db2.gz WXFWKPJQEIQZNT-ZFWWWQNUSA-N 0 3 245.341 3.417 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccc(F)c(F)c1 ZINC000685426497 488026701 /nfs/dbraw/zinc/02/67/01/488026701.db2.gz NJDBSQOBZLGSMY-PLNGDYQASA-N 0 3 237.293 3.486 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccc(F)c(F)c1 ZINC000685426498 488026796 /nfs/dbraw/zinc/02/67/96/488026796.db2.gz NJDBSQOBZLGSMY-SNAWJCMRSA-N 0 3 237.293 3.486 20 30 BGEDHN C=CCCCCCN(C)Cc1oc(C)nc1C ZINC000685565095 487546910 /nfs/dbraw/zinc/54/69/10/487546910.db2.gz LAUYOYSZUNBUOQ-UHFFFAOYSA-N 0 3 236.359 3.470 20 30 BGEDHN C=C(CC)CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000685578215 487557270 /nfs/dbraw/zinc/55/72/70/487557270.db2.gz GPZKHFZOSFXNAL-HNNXBMFYSA-N 0 3 247.382 3.302 20 30 BGEDHN C=C(CC)CN[C@H](c1ccccc1)C(C)(C)CO ZINC000685578216 487556776 /nfs/dbraw/zinc/55/67/76/487556776.db2.gz GPZKHFZOSFXNAL-OAHLLOKOSA-N 0 3 247.382 3.302 20 30 BGEDHN C=CCN(Cc1[nH]ncc1C)CC1CCCCC1 ZINC000685837156 487583556 /nfs/dbraw/zinc/58/35/56/487583556.db2.gz KHMKKGHVOSAURT-UHFFFAOYSA-N 0 3 247.386 3.286 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(SC)s1 ZINC000685843079 487587089 /nfs/dbraw/zinc/58/70/89/487587089.db2.gz HJCWTYLYGRCQOE-UHFFFAOYSA-N 0 3 227.398 3.478 20 30 BGEDHN C=CCOc1ccccc1CN[C@H]1C=CCC1 ZINC000700598136 712000136 /nfs/dbraw/zinc/00/01/36/712000136.db2.gz CYIKLBIRSDLNIR-AWEZNQCLSA-N 0 3 229.323 3.060 20 30 BGEDHN C=CCOc1ccccc1CN[C@@H]1C=CCC1 ZINC000700598138 711999924 /nfs/dbraw/zinc/99/99/24/711999924.db2.gz CYIKLBIRSDLNIR-CQSZACIVSA-N 0 3 229.323 3.060 20 30 BGEDHN C=CCCCCCCNCc1cnc(C)o1 ZINC000700826294 712007459 /nfs/dbraw/zinc/00/74/59/712007459.db2.gz PMUKRBIGQBHOOE-UHFFFAOYSA-N 0 3 222.332 3.209 20 30 BGEDHN C=C(Br)CNC1(CC(C)C)CC1 ZINC000701497680 712024843 /nfs/dbraw/zinc/02/48/43/712024843.db2.gz LIENPEAZEVDPDL-UHFFFAOYSA-N 0 3 232.165 3.063 20 30 BGEDHN C=CC(C)(C)CCNCc1nc(C)cs1 ZINC000701856937 712031506 /nfs/dbraw/zinc/03/15/06/712031506.db2.gz ZNOYOSJNUGSCSG-UHFFFAOYSA-N 0 3 224.373 3.143 20 30 BGEDHN C=CC(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000701863880 712030793 /nfs/dbraw/zinc/03/07/93/712030793.db2.gz IFWBOPIZBDIJFW-UHFFFAOYSA-N 0 3 219.328 3.084 20 30 BGEDHN C=CC(C)(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000701906853 712031990 /nfs/dbraw/zinc/03/19/90/712031990.db2.gz ULQJNMSADZYUFJ-UHFFFAOYSA-N 0 3 237.318 3.223 20 30 BGEDHN C#C[C@H](NCc1cccc(OCC)c1)C(C)(C)C ZINC000702251343 712041937 /nfs/dbraw/zinc/04/19/37/712041937.db2.gz VANYLFZSSADKDS-HNNXBMFYSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](NCc1cccc(OCC)c1)C(C)(C)C ZINC000702251344 712041939 /nfs/dbraw/zinc/04/19/39/712041939.db2.gz VANYLFZSSADKDS-OAHLLOKOSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](NCc1csc(C)c1)C(C)(C)C ZINC000702267569 712044246 /nfs/dbraw/zinc/04/42/46/712044246.db2.gz VFYTVJLKISARKZ-GFCCVEGCSA-N 0 3 221.369 3.194 20 30 BGEDHN C#C[C@H](NCc1csc(C)c1)C(C)(C)C ZINC000702267573 712044277 /nfs/dbraw/zinc/04/42/77/712044277.db2.gz VFYTVJLKISARKZ-LBPRGKRZSA-N 0 3 221.369 3.194 20 30 BGEDHN C#C[C@@H](NCc1ccsc1C)C(C)(C)C ZINC000702268476 712044202 /nfs/dbraw/zinc/04/42/02/712044202.db2.gz VXPPIDZBYHPMME-GFCCVEGCSA-N 0 3 221.369 3.194 20 30 BGEDHN C#C[C@H](NCc1ccsc1C)C(C)(C)C ZINC000702268483 712044341 /nfs/dbraw/zinc/04/43/41/712044341.db2.gz VXPPIDZBYHPMME-LBPRGKRZSA-N 0 3 221.369 3.194 20 30 BGEDHN C#C[C@H](NCc1ccc(C)c(F)c1)C(C)(C)C ZINC000702281399 712044663 /nfs/dbraw/zinc/04/46/63/712044663.db2.gz GZLLQPJHHZDRGJ-AWEZNQCLSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@@H](NCc1ccc(C)c(F)c1)C(C)(C)C ZINC000702281400 712044946 /nfs/dbraw/zinc/04/49/46/712044946.db2.gz GZLLQPJHHZDRGJ-CQSZACIVSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@H](NCc1ccc(F)c(C)c1)C(C)(C)C ZINC000702282791 712045059 /nfs/dbraw/zinc/04/50/59/712045059.db2.gz QWCQZDKBBBIYNI-AWEZNQCLSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@@H](NCc1ccc(F)c(C)c1)C(C)(C)C ZINC000702282792 712044647 /nfs/dbraw/zinc/04/46/47/712044647.db2.gz QWCQZDKBBBIYNI-CQSZACIVSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@H](NCc1cc(F)ccc1C)C(C)(C)C ZINC000702285446 712044759 /nfs/dbraw/zinc/04/47/59/712044759.db2.gz KCDXBPLKFSJODJ-AWEZNQCLSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@@H](NCc1cc(F)ccc1C)C(C)(C)C ZINC000702285448 712044991 /nfs/dbraw/zinc/04/49/91/712044991.db2.gz KCDXBPLKFSJODJ-CQSZACIVSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@@H](NCc1cc(F)cc(F)c1)C(C)(C)C ZINC000702287622 712044962 /nfs/dbraw/zinc/04/49/62/712044962.db2.gz LXKSGKULVVRFGA-CYBMUJFWSA-N 0 3 237.293 3.102 20 30 BGEDHN C#C[C@H](NCc1cc(F)cc(F)c1)C(C)(C)C ZINC000702287623 712044883 /nfs/dbraw/zinc/04/48/83/712044883.db2.gz LXKSGKULVVRFGA-ZDUSSCGKSA-N 0 3 237.293 3.102 20 30 BGEDHN C#C[C@@H](NCc1ccc(F)c(F)c1)C(C)(C)C ZINC000702289672 712045080 /nfs/dbraw/zinc/04/50/80/712045080.db2.gz UACNOCZBVOTVLT-CYBMUJFWSA-N 0 3 237.293 3.102 20 30 BGEDHN C#C[C@H](NCc1ccc(F)c(F)c1)C(C)(C)C ZINC000702289673 712045062 /nfs/dbraw/zinc/04/50/62/712045062.db2.gz UACNOCZBVOTVLT-ZDUSSCGKSA-N 0 3 237.293 3.102 20 30 BGEDHN FC1(F)CCC[C@H](NCC#Cc2ccccc2)C1 ZINC000702567588 712055755 /nfs/dbraw/zinc/05/57/55/712055755.db2.gz QSPPBDKZMWSNTC-AWEZNQCLSA-N 0 3 249.304 3.206 20 30 BGEDHN FC1(F)CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC000702567589 712055880 /nfs/dbraw/zinc/05/58/80/712055880.db2.gz QSPPBDKZMWSNTC-CQSZACIVSA-N 0 3 249.304 3.206 20 30 BGEDHN CCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000703716087 712084298 /nfs/dbraw/zinc/08/42/98/712084298.db2.gz YDNQIGPSIDVSBC-CHWSQXEVSA-N 0 3 235.375 3.449 20 30 BGEDHN CCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000703716089 712084388 /nfs/dbraw/zinc/08/43/88/712084388.db2.gz YDNQIGPSIDVSBC-OLZOCXBDSA-N 0 3 235.375 3.449 20 30 BGEDHN CCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000703716092 712084340 /nfs/dbraw/zinc/08/43/40/712084340.db2.gz YDNQIGPSIDVSBC-QWHCGFSZSA-N 0 3 235.375 3.449 20 30 BGEDHN CCCCCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000703716093 712084192 /nfs/dbraw/zinc/08/41/92/712084192.db2.gz YDNQIGPSIDVSBC-STQMWFEESA-N 0 3 235.375 3.449 20 30 BGEDHN CCCCCCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000703735834 712086019 /nfs/dbraw/zinc/08/60/19/712086019.db2.gz TXRPAXPTOOWZSM-UHFFFAOYSA-N 0 3 236.359 3.156 20 30 BGEDHN C#C[C@H](NCc1ccc(OCC)cc1)C(C)(C)C ZINC000705216283 712124196 /nfs/dbraw/zinc/12/41/96/712124196.db2.gz CKBPQZSINGYXSO-HNNXBMFYSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@@H](NCc1ccc(OCC)cc1)C(C)(C)C ZINC000705216284 712124347 /nfs/dbraw/zinc/12/43/47/712124347.db2.gz CKBPQZSINGYXSO-OAHLLOKOSA-N 0 3 245.366 3.223 20 30 BGEDHN C#C[C@H](NCc1ccc(F)cc1C)C(C)(C)C ZINC000705284455 712127119 /nfs/dbraw/zinc/12/71/19/712127119.db2.gz BWKFYCICBHZFKN-AWEZNQCLSA-N 0 3 233.330 3.272 20 30 BGEDHN C#C[C@@H](NCc1ccc(F)cc1C)C(C)(C)C ZINC000705284456 712126987 /nfs/dbraw/zinc/12/69/87/712126987.db2.gz BWKFYCICBHZFKN-CQSZACIVSA-N 0 3 233.330 3.272 20 30 BGEDHN C#CCCCNCc1c(F)ccc(F)c1Cl ZINC000705570026 712132538 /nfs/dbraw/zinc/13/25/38/712132538.db2.gz ABLJLPXPDIXESL-UHFFFAOYSA-N 0 3 243.684 3.121 20 30 BGEDHN C=CCCCCCCNCc1nc(C)c(C)[nH]1 ZINC000708973731 712204484 /nfs/dbraw/zinc/20/44/84/712204484.db2.gz LEHNLQLUCFRSDE-UHFFFAOYSA-N 0 3 235.375 3.253 20 30 BGEDHN CCCCCCCCNCc1nc(C)c(C)[nH]1 ZINC000708980156 712205256 /nfs/dbraw/zinc/20/52/56/712205256.db2.gz ABOVLMYFBZLHHH-UHFFFAOYSA-N 0 3 237.391 3.477 20 30 BGEDHN CCCCCCCNCc1nc(C)c(C)[nH]1 ZINC000708997568 712205223 /nfs/dbraw/zinc/20/52/23/712205223.db2.gz MWXYKZUNTDQGKX-UHFFFAOYSA-N 0 3 223.364 3.087 20 30 BGEDHN C[C@@H](CN(C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143852 712210744 /nfs/dbraw/zinc/21/07/44/712210744.db2.gz RKRUOIVUSLXFTP-NEPJUHHUSA-N 0 3 210.365 3.293 20 30 BGEDHN C[C@H](CC#N)N(C)C[C@@H](C)CC(C)(C)C ZINC000709143854 712210673 /nfs/dbraw/zinc/21/06/73/712210673.db2.gz RKRUOIVUSLXFTP-NWDGAFQWSA-N 0 3 210.365 3.293 20 30 BGEDHN C[C@H](CN(C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143857 712210328 /nfs/dbraw/zinc/21/03/28/712210328.db2.gz RKRUOIVUSLXFTP-RYUDHWBXSA-N 0 3 210.365 3.293 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@H](C)CC(C)(C)C ZINC000709212695 712218141 /nfs/dbraw/zinc/21/81/41/712218141.db2.gz BZUQHUOGAFZFCZ-NEPJUHHUSA-N 0 3 210.365 3.150 20 30 BGEDHN C[C@H](C#N)CN(C)C[C@@H](C)CC(C)(C)C ZINC000709212696 712218117 /nfs/dbraw/zinc/21/81/17/712218117.db2.gz BZUQHUOGAFZFCZ-NWDGAFQWSA-N 0 3 210.365 3.150 20 30 BGEDHN C[C@@H](C#N)CN(C)C[C@@H](C)CC(C)(C)C ZINC000709212697 712218250 /nfs/dbraw/zinc/21/82/50/712218250.db2.gz BZUQHUOGAFZFCZ-RYUDHWBXSA-N 0 3 210.365 3.150 20 30 BGEDHN C[C@@H](CN(C)C[C@H](C)C#N)CC(C)(C)C ZINC000709212698 712218242 /nfs/dbraw/zinc/21/82/42/712218242.db2.gz BZUQHUOGAFZFCZ-VXGBXAGGSA-N 0 3 210.365 3.150 20 30 BGEDHN CCCCCCCCN[C@H](C)c1cn(C)cn1 ZINC000709896392 712231249 /nfs/dbraw/zinc/23/12/49/712231249.db2.gz LMDZZGTTZMSWFL-CYBMUJFWSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCCN[C@@H](C)c1cn(C)cn1 ZINC000709896394 712231310 /nfs/dbraw/zinc/23/13/10/712231310.db2.gz LMDZZGTTZMSWFL-ZDUSSCGKSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCN[C@H](C)c1cn(C)cn1 ZINC000709919511 712232895 /nfs/dbraw/zinc/23/28/95/712232895.db2.gz KVMXGUMWCXBOFD-GFCCVEGCSA-N 0 3 223.364 3.041 20 30 BGEDHN CCCCCCCN[C@@H](C)c1cn(C)cn1 ZINC000709919513 712232920 /nfs/dbraw/zinc/23/29/20/712232920.db2.gz KVMXGUMWCXBOFD-LBPRGKRZSA-N 0 3 223.364 3.041 20 30 BGEDHN Cc1ccc(CN[C@H](C)CC(C)(C)C#N)nc1C ZINC000709978210 712236648 /nfs/dbraw/zinc/23/66/48/712236648.db2.gz AXIVMBNIKUHRFP-GFCCVEGCSA-N 0 3 245.370 3.116 20 30 BGEDHN Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)nc1C ZINC000709978212 712236637 /nfs/dbraw/zinc/23/66/37/712236637.db2.gz AXIVMBNIKUHRFP-LBPRGKRZSA-N 0 3 245.370 3.116 20 30 BGEDHN Cc1ccoc1CN[C@H](C)CC(C)(C)C#N ZINC000709988630 712237953 /nfs/dbraw/zinc/23/79/53/712237953.db2.gz CVMCDGCUYACBNE-LLVKDONJSA-N 0 3 220.316 3.006 20 30 BGEDHN Cc1ccoc1CN[C@@H](C)CC(C)(C)C#N ZINC000709988631 712238152 /nfs/dbraw/zinc/23/81/52/712238152.db2.gz CVMCDGCUYACBNE-NSHDSACASA-N 0 3 220.316 3.006 20 30 BGEDHN COc1ccccc1CN[C@H](C)CC(C)(C)C#N ZINC000709999277 712239254 /nfs/dbraw/zinc/23/92/54/712239254.db2.gz VOPOYPPDRAGALO-GFCCVEGCSA-N 0 3 246.354 3.113 20 30 BGEDHN COc1ccccc1CN[C@@H](C)CC(C)(C)C#N ZINC000709999279 712239560 /nfs/dbraw/zinc/23/95/60/712239560.db2.gz VOPOYPPDRAGALO-LBPRGKRZSA-N 0 3 246.354 3.113 20 30 BGEDHN C=CCCCCCCN[C@H](C)c1cn(C)cn1 ZINC000710030711 712242261 /nfs/dbraw/zinc/24/22/61/712242261.db2.gz ZBWLUBSODNMTSE-CYBMUJFWSA-N 0 3 235.375 3.207 20 30 BGEDHN C=CCCCCCCN[C@@H](C)c1cn(C)cn1 ZINC000710030716 712242054 /nfs/dbraw/zinc/24/20/54/712242054.db2.gz ZBWLUBSODNMTSE-ZDUSSCGKSA-N 0 3 235.375 3.207 20 30 BGEDHN CCCCCCCCNCc1cc(C)n(C)n1 ZINC000710909586 712262707 /nfs/dbraw/zinc/26/27/07/712262707.db2.gz ZGVRXUDYLJZVFO-UHFFFAOYSA-N 0 3 237.391 3.179 20 30 BGEDHN Cc1ccc(CN2CCC[C@@H](CF)C2)cc1C#N ZINC000711430160 712299303 /nfs/dbraw/zinc/29/93/03/712299303.db2.gz KUXPRXOBIBBKIH-AWEZNQCLSA-N 0 3 246.329 3.048 20 30 BGEDHN Cc1ccc(CN2CCC[C@H](CF)C2)cc1C#N ZINC000711430162 712299215 /nfs/dbraw/zinc/29/92/15/712299215.db2.gz KUXPRXOBIBBKIH-CQSZACIVSA-N 0 3 246.329 3.048 20 30 BGEDHN C=CCCCCCCNCc1nccn1C1CC1 ZINC000711746433 712323382 /nfs/dbraw/zinc/32/33/82/712323382.db2.gz MIZNWPYQPFOLEI-UHFFFAOYSA-N 0 3 247.386 3.444 20 30 BGEDHN CCCCCCCNCc1nccn1C1CC1 ZINC000711770248 712327111 /nfs/dbraw/zinc/32/71/11/712327111.db2.gz FFJPWBSAOWSJIC-UHFFFAOYSA-N 0 3 235.375 3.278 20 30 BGEDHN C=CCCC(C)(C)CNCc1nccn1C1CC1 ZINC000711796626 712331294 /nfs/dbraw/zinc/33/12/94/712331294.db2.gz VAFZOGMRHGEEIF-UHFFFAOYSA-N 0 3 247.386 3.300 20 30 BGEDHN C=CCCC[C@@H](C)NCc1nccn1C1CC1 ZINC000711817460 712332594 /nfs/dbraw/zinc/33/25/94/712332594.db2.gz NDDJJNVGMFCYNU-GFCCVEGCSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCC[C@H](C)NCc1nccn1C1CC1 ZINC000711817464 712332535 /nfs/dbraw/zinc/33/25/35/712332535.db2.gz NDDJJNVGMFCYNU-LBPRGKRZSA-N 0 3 233.359 3.052 20 30 BGEDHN C[C@@H]1c2sccc2CCN1CC1(CC#N)CC1 ZINC000711882132 712336644 /nfs/dbraw/zinc/33/66/44/712336644.db2.gz YDOLYURWEMVBKZ-LLVKDONJSA-N 0 3 246.379 3.361 20 30 BGEDHN C[C@H]1c2sccc2CCN1CC1(CC#N)CC1 ZINC000711882142 712336670 /nfs/dbraw/zinc/33/66/70/712336670.db2.gz YDOLYURWEMVBKZ-NSHDSACASA-N 0 3 246.379 3.361 20 30 BGEDHN C[C@@H](CC1CCCC1)NCc1nc(C#N)cs1 ZINC000712516638 712432112 /nfs/dbraw/zinc/43/21/12/712432112.db2.gz WWALUUNXMZINCE-JTQLQIEISA-N 0 3 249.383 3.073 20 30 BGEDHN C[C@H](CC1CCCC1)NCc1nc(C#N)cs1 ZINC000712516640 712432337 /nfs/dbraw/zinc/43/23/37/712432337.db2.gz WWALUUNXMZINCE-SNVBAGLBSA-N 0 3 249.383 3.073 20 30 BGEDHN CC(C)C1CC(NCc2cc(C#N)ccc2F)C1 ZINC000714603440 712488236 /nfs/dbraw/zinc/48/82/36/712488236.db2.gz GZYNMJWNDSNIJH-UHFFFAOYSA-N 0 3 246.329 3.222 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000715070989 712505663 /nfs/dbraw/zinc/50/56/63/712505663.db2.gz XSKIGNRHBPHAGS-PSASIEDQSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000715070991 712505745 /nfs/dbraw/zinc/50/57/45/712505745.db2.gz XSKIGNRHBPHAGS-SCZZXKLOSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000715070992 712505667 /nfs/dbraw/zinc/50/56/67/712505667.db2.gz XSKIGNRHBPHAGS-WCBMZHEXSA-N 0 3 210.346 3.067 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000715070993 712505743 /nfs/dbraw/zinc/50/57/43/712505743.db2.gz XSKIGNRHBPHAGS-WPRPVWTQSA-N 0 3 210.346 3.067 20 30 BGEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccns1 ZINC000715944294 712544762 /nfs/dbraw/zinc/54/47/62/712544762.db2.gz SHKXCQVPYJAQHH-NXEZZACHSA-N 0 3 237.372 3.122 20 30 BGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccns1 ZINC000715944300 712544550 /nfs/dbraw/zinc/54/45/50/712544550.db2.gz SHKXCQVPYJAQHH-UWVGGRQHSA-N 0 3 237.372 3.122 20 30 BGEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccns1 ZINC000715944310 712544592 /nfs/dbraw/zinc/54/45/92/712544592.db2.gz SHKXCQVPYJAQHH-VHSXEESVSA-N 0 3 237.372 3.122 20 30 BGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccns1 ZINC000715944323 712544865 /nfs/dbraw/zinc/54/48/65/712544865.db2.gz SHKXCQVPYJAQHH-ZJUUUORDSA-N 0 3 237.372 3.122 20 30 BGEDHN C=CCCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000717893261 712731929 /nfs/dbraw/zinc/73/19/29/712731929.db2.gz FWLMNIQTWVOWIF-UHFFFAOYSA-N 0 3 219.328 3.227 20 30 BGEDHN C=CCCC(C)(C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000717908199 712733226 /nfs/dbraw/zinc/73/32/26/712733226.db2.gz GOOUXEAYMBHYOX-UHFFFAOYSA-N 0 3 237.318 3.366 20 30 BGEDHN C=CCCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000717909015 712732865 /nfs/dbraw/zinc/73/28/65/712732865.db2.gz NBCOTRIFBKMDHI-UHFFFAOYSA-N 0 3 237.318 3.366 20 30 BGEDHN CC(C)CN(CCC#N)CCCC(C)(F)F ZINC000718624898 712773823 /nfs/dbraw/zinc/77/38/23/712773823.db2.gz UFQRFYBSARYTAQ-UHFFFAOYSA-N 0 3 232.318 3.293 20 30 BGEDHN C=CCC[C@@H](C)NCc1ncc(Cl)s1 ZINC000719396455 712806866 /nfs/dbraw/zinc/80/68/66/712806866.db2.gz VCFNNFXDEKLLFO-MRVPVSSYSA-N 0 3 230.764 3.241 20 30 BGEDHN C=CCC[C@H](C)NCc1ncc(Cl)s1 ZINC000719396460 712806713 /nfs/dbraw/zinc/80/67/13/712806713.db2.gz VCFNNFXDEKLLFO-QMMMGPOBSA-N 0 3 230.764 3.241 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nocc1C ZINC000720356485 712833844 /nfs/dbraw/zinc/83/38/44/712833844.db2.gz OHCDRDAKBWXNLA-CHWSQXEVSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nocc1C ZINC000720356489 712833846 /nfs/dbraw/zinc/83/38/46/712833846.db2.gz OHCDRDAKBWXNLA-OLZOCXBDSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1nocc1C ZINC000720356492 712833924 /nfs/dbraw/zinc/83/39/24/712833924.db2.gz OHCDRDAKBWXNLA-QWHCGFSZSA-N 0 3 234.343 3.208 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nocc1C ZINC000720356495 712833873 /nfs/dbraw/zinc/83/38/73/712833873.db2.gz OHCDRDAKBWXNLA-STQMWFEESA-N 0 3 234.343 3.208 20 30 BGEDHN C=C1CCC(CNCc2nccn2C2CC2)CC1 ZINC000724441289 711580835 /nfs/dbraw/zinc/58/08/35/711580835.db2.gz WTZFPBIJDAJGNN-UHFFFAOYSA-N 0 3 245.370 3.054 20 30 BGEDHN C=C1CCC(CNCc2nccn2C(C)C)CC1 ZINC000724452339 711580870 /nfs/dbraw/zinc/58/08/70/711580870.db2.gz YLWFOQGTXMEBFJ-UHFFFAOYSA-N 0 3 247.386 3.300 20 30 BGEDHN C=C1CCC(CNCc2csc(C)n2)CC1 ZINC000724547613 711589257 /nfs/dbraw/zinc/58/92/57/711589257.db2.gz RCJFIUMDJRHYLH-UHFFFAOYSA-N 0 3 236.384 3.288 20 30 BGEDHN C=C1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000724555618 710742274 /nfs/dbraw/zinc/74/22/74/710742274.db2.gz HQNOPZHRKOXDBZ-UHFFFAOYSA-N 0 3 231.339 3.228 20 30 BGEDHN C=CCN(Cc1cccc(NC(C)=O)c1)C(C)C ZINC000725795918 582857614 /nfs/dbraw/zinc/85/76/14/582857614.db2.gz YJBBIUCZKQMHIS-UHFFFAOYSA-N 0 3 246.354 3.041 20 30 BGEDHN C#CCN(C)Cc1ccccc1-c1ccccc1 ZINC000725805215 582862230 /nfs/dbraw/zinc/86/22/30/582862230.db2.gz GWGNHXKXMROLQT-UHFFFAOYSA-N 0 3 235.330 3.419 20 30 BGEDHN CCC(C=Nn1cnnc1-c1ccccc1)CC ZINC000725856277 711199243 /nfs/dbraw/zinc/19/92/43/711199243.db2.gz HSJSJULCMWECRG-UHFFFAOYSA-N 0 3 242.326 3.215 20 30 BGEDHN CCC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000726858586 583379074 /nfs/dbraw/zinc/37/90/74/583379074.db2.gz IMDVIVMLZBRIGE-SECBINFHSA-N 0 3 236.340 3.064 20 30 BGEDHN CCC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000726858587 583379307 /nfs/dbraw/zinc/37/93/07/583379307.db2.gz IMDVIVMLZBRIGE-VIFPVBQESA-N 0 3 236.340 3.064 20 30 BGEDHN C#CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000726942435 711439226 /nfs/dbraw/zinc/43/92/26/711439226.db2.gz DRIXLYXXNHRJNY-UHFFFAOYSA-N 0 3 215.340 3.049 20 30 BGEDHN C=CCN(Cc1ncc(C)c(OC)c1C)C(C)C ZINC000727588843 583687160 /nfs/dbraw/zinc/68/71/60/583687160.db2.gz XQKBXQRFNJQTKE-UHFFFAOYSA-N 0 3 248.370 3.103 20 30 BGEDHN CC(=NNC1CCCC1)c1ccc(N(C)C)cc1 ZINC000727652054 583714866 /nfs/dbraw/zinc/71/48/66/583714866.db2.gz HTFOIQTXAVVYPG-UHFFFAOYSA-N 0 3 245.370 3.009 20 30 BGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H]2C)c([O-])c1 ZINC000727685351 583736269 /nfs/dbraw/zinc/73/62/69/583736269.db2.gz KEBXLXMWKOQVCT-MDHSVXEESA-N 0 3 246.354 3.066 20 30 BGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H]2C)c([O-])c1 ZINC000727685352 583736014 /nfs/dbraw/zinc/73/60/14/583736014.db2.gz KEBXLXMWKOQVCT-NMGOYGNESA-N 0 3 246.354 3.066 20 30 BGEDHN CCCCCC[C@@H]1CCCC1=Nn1cnnc1 ZINC000728155448 583849770 /nfs/dbraw/zinc/84/97/70/583849770.db2.gz MEQCSFQPKNUGOM-GFCCVEGCSA-N 0 3 234.347 3.253 20 30 BGEDHN CCCCCC[C@H]1CCCC1=Nn1cnnc1 ZINC000728155449 583849765 /nfs/dbraw/zinc/84/97/65/583849765.db2.gz MEQCSFQPKNUGOM-LBPRGKRZSA-N 0 3 234.347 3.253 20 30 BGEDHN C#CCN(CC(=C)C)[C@H]1CCc2ccccc21 ZINC000728913364 583936055 /nfs/dbraw/zinc/93/60/55/583936055.db2.gz XASUNVJJCXCHPK-INIZCTEOSA-N 0 3 225.335 3.185 20 30 BGEDHN C#CCN(CC(=C)C)[C@@H]1CCc2ccccc21 ZINC000728913365 583935997 /nfs/dbraw/zinc/93/59/97/583935997.db2.gz XASUNVJJCXCHPK-MRXNPFEDSA-N 0 3 225.335 3.185 20 30 BGEDHN C=C(C)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000728919727 583936993 /nfs/dbraw/zinc/93/69/93/583936993.db2.gz WHBZXDSSGGLCHG-CVEARBPZSA-N 0 3 245.366 3.151 20 30 BGEDHN C=C(C)CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000728919729 583936740 /nfs/dbraw/zinc/93/67/40/583936740.db2.gz WHBZXDSSGGLCHG-HOTGVXAUSA-N 0 3 245.366 3.151 20 30 BGEDHN C=C(C)CN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000728919730 583937033 /nfs/dbraw/zinc/93/70/33/583937033.db2.gz WHBZXDSSGGLCHG-HZPDHXFCSA-N 0 3 245.366 3.151 20 30 BGEDHN C=C(C)CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000728919732 583936902 /nfs/dbraw/zinc/93/69/02/583936902.db2.gz WHBZXDSSGGLCHG-JKSUJKDBSA-N 0 3 245.366 3.151 20 30 BGEDHN C#CCN(Cc1ccccc1)CC(C)(C)C ZINC000728929628 583937455 /nfs/dbraw/zinc/93/74/55/583937455.db2.gz OVZQIPTXRDSLPL-UHFFFAOYSA-N 0 3 215.340 3.168 20 30 BGEDHN C#CCOc1ccccc1CN(C)CCC(C)C ZINC000730260181 584897140 /nfs/dbraw/zinc/89/71/40/584897140.db2.gz CEYXFRJXGZZYNX-UHFFFAOYSA-N 0 3 245.366 3.177 20 30 BGEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCC2)c([O-])c1 ZINC000730464243 584911315 /nfs/dbraw/zinc/91/13/15/584911315.db2.gz LOFWWULVEIFNDD-LFIBNONCSA-N 0 3 246.354 3.210 20 30 BGEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCC2)c([O-])c1 ZINC000730464244 584911225 /nfs/dbraw/zinc/91/12/25/584911225.db2.gz LOFWWULVEIFNDD-WJDWOHSUSA-N 0 3 246.354 3.210 20 30 BGEDHN C#CCNC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000730934747 584920251 /nfs/dbraw/zinc/92/02/51/584920251.db2.gz YYJUQIVEQUILEA-UHFFFAOYSA-N 0 3 245.366 3.179 20 30 BGEDHN C=C1CCN(CCOc2ccc(C)cc2)CC1 ZINC000731032206 584921510 /nfs/dbraw/zinc/92/15/10/584921510.db2.gz DVZIKPHTOIYLGF-UHFFFAOYSA-N 0 3 231.339 3.026 20 30 BGEDHN C=C1CCN(CCOc2ccccc2C)CC1 ZINC000731103971 584922366 /nfs/dbraw/zinc/92/23/66/584922366.db2.gz QGISBKDGXKBZAD-UHFFFAOYSA-N 0 3 231.339 3.026 20 30 BGEDHN C=CCN(Cc1ccc(Cl)nc1)C(C)C ZINC000731752065 641815435 /nfs/dbraw/zinc/81/54/35/641815435.db2.gz PLFMAHIRAQGXGH-UHFFFAOYSA-N 0 3 224.735 3.131 20 30 BGEDHN CC(C)(C)CN(CCC#N)C[Si](C)(C)C ZINC000731846857 584929438 /nfs/dbraw/zinc/92/94/38/584929438.db2.gz CAMKPQKOEVPMHJ-UHFFFAOYSA-N 0 3 226.440 3.126 20 30 BGEDHN C=CCN(Cc1ccc2c(c1)CCO2)C(C)C ZINC000732198082 584934697 /nfs/dbraw/zinc/93/46/97/584934697.db2.gz UVERINGLCXOWES-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C=CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205058 584934744 /nfs/dbraw/zinc/93/47/44/584934744.db2.gz YQCRJFMQCFQRQD-UHFFFAOYSA-N 0 3 231.339 3.323 20 30 BGEDHN C=CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205058 584934743 /nfs/dbraw/zinc/93/47/43/584934743.db2.gz YQCRJFMQCFQRQD-UHFFFAOYSA-N 0 3 231.339 3.323 20 30 BGEDHN C=CC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000732410502 584936961 /nfs/dbraw/zinc/93/69/61/584936961.db2.gz CHNZOCOHBJFGJN-JTQLQIEISA-N 0 3 234.170 3.078 20 30 BGEDHN C=CC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000732410506 584936998 /nfs/dbraw/zinc/93/69/98/584936998.db2.gz CHNZOCOHBJFGJN-SNVBAGLBSA-N 0 3 234.170 3.078 20 30 BGEDHN CCON=C1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000734298757 584959725 /nfs/dbraw/zinc/95/97/25/584959725.db2.gz KNJMQWPFDQQZBN-CYBMUJFWSA-N 0 3 246.354 3.063 20 30 BGEDHN CCON=C1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000734298758 584959814 /nfs/dbraw/zinc/95/98/14/584959814.db2.gz KNJMQWPFDQQZBN-ZDUSSCGKSA-N 0 3 246.354 3.063 20 30 BGEDHN CCC(CC)NN=C(C)c1ccc(N(C)C)cc1 ZINC000734364685 643495568 /nfs/dbraw/zinc/49/55/68/643495568.db2.gz BGXPYOICICPOLM-UHFFFAOYSA-N 0 3 247.386 3.255 20 30 BGEDHN C#CCN(CCc1ccc(Cl)cc1)CC1CC1 ZINC000735078925 584972600 /nfs/dbraw/zinc/97/26/00/584972600.db2.gz XGQFPWTYLBUWSN-UHFFFAOYSA-N 0 3 247.769 3.228 20 30 BGEDHN C=CCCCN(CC)Cc1ccccc1OC ZINC000735490071 584977882 /nfs/dbraw/zinc/97/78/82/584977882.db2.gz BOVXEDPFJRTYPR-UHFFFAOYSA-N 0 3 233.355 3.483 20 30 BGEDHN C=CCCCN(CC)Cc1cccc2c1OCO2 ZINC000735490594 584978081 /nfs/dbraw/zinc/97/80/81/584978081.db2.gz LHDZWHQZLWHHFB-UHFFFAOYSA-N 0 3 247.338 3.203 20 30 BGEDHN C#CCN(CCCC=C)Cc1ccc(F)cc1 ZINC000735490868 584978001 /nfs/dbraw/zinc/97/80/01/584978001.db2.gz SYVWJRUOEDPWLZ-UHFFFAOYSA-N 0 3 231.314 3.227 20 30 BGEDHN C=CCCCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC000735491480 584977953 /nfs/dbraw/zinc/97/79/53/584977953.db2.gz IHNWGWCLDQUEHX-UHFFFAOYSA-N 0 3 248.326 3.383 20 30 BGEDHN C=CCCCN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000735491490 584978131 /nfs/dbraw/zinc/97/81/31/584978131.db2.gz IJUKYQHIORUULS-UHFFFAOYSA-N 0 3 248.326 3.383 20 30 BGEDHN C=CCCCN(CC)Cc1ccc(C#N)cc1F ZINC000735491638 584977904 /nfs/dbraw/zinc/97/79/04/584977904.db2.gz NUXOHQSKPKNKGG-UHFFFAOYSA-N 0 3 246.329 3.485 20 30 BGEDHN C#CCOc1ccccc1CN(C)CCCC=C ZINC000735493110 584978135 /nfs/dbraw/zinc/97/81/35/584978135.db2.gz VCCSOWQDEAUADJ-UHFFFAOYSA-N 0 3 243.350 3.097 20 30 BGEDHN C(#Cc1ccccc1)CNC/C=C/c1ccccc1 ZINC000736354395 584998910 /nfs/dbraw/zinc/99/89/10/584998910.db2.gz SPTFKLVJAPCQMK-NTUHNPAUSA-N 0 3 247.341 3.341 20 30 BGEDHN C(#Cc1ccccc1)CNC/C=C\c1ccccc1 ZINC000736354396 584998894 /nfs/dbraw/zinc/99/88/94/584998894.db2.gz SPTFKLVJAPCQMK-QPEQYQDCSA-N 0 3 247.341 3.341 20 30 BGEDHN Cc1ccc(CNCC#Cc2ccccc2)c(C)c1 ZINC000736355487 584998855 /nfs/dbraw/zinc/99/88/55/584998855.db2.gz OUGCUYMRWLOWRS-UHFFFAOYSA-N 0 3 249.357 3.445 20 30 BGEDHN C=CCCC[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000736590479 585006747 /nfs/dbraw/zinc/00/67/47/585006747.db2.gz VZJNCIMPNJZZBR-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000736590479 585006746 /nfs/dbraw/zinc/00/67/46/585006746.db2.gz VZJNCIMPNJZZBR-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN CCCCCCCCCNC(=O)C(C)C#N ZINC000736669158 585008857 /nfs/dbraw/zinc/00/88/57/585008857.db2.gz XRAMNCNCFZSNGU-GFCCVEGCSA-N 0 3 224.348 3.013 20 30 BGEDHN CCCCCCCCCNC(=O)C(C)C#N ZINC000736669159 585009046 /nfs/dbraw/zinc/00/90/46/585009046.db2.gz XRAMNCNCFZSNGU-LBPRGKRZSA-N 0 3 224.348 3.013 20 30 BGEDHN CCCCCCCCCN(C)C(=O)C(C)C#N ZINC000736672315 585009327 /nfs/dbraw/zinc/00/93/27/585009327.db2.gz GWZQODWEIJNLGT-CYBMUJFWSA-N 0 3 238.375 3.355 20 30 BGEDHN CCCCCCCCCN(C)C(=O)C(C)C#N ZINC000736672316 585009351 /nfs/dbraw/zinc/00/93/51/585009351.db2.gz GWZQODWEIJNLGT-ZDUSSCGKSA-N 0 3 238.375 3.355 20 30 BGEDHN CCCCCCC[C@@H](C)CNC(=O)C(C)C#N ZINC000736673123 585009417 /nfs/dbraw/zinc/00/94/17/585009417.db2.gz PKPFNHQHAKRFLR-CHWSQXEVSA-N 0 3 238.375 3.259 20 30 BGEDHN CCCCCCC[C@@H](C)CNC(=O)C(C)C#N ZINC000736673124 585009451 /nfs/dbraw/zinc/00/94/51/585009451.db2.gz PKPFNHQHAKRFLR-OLZOCXBDSA-N 0 3 238.375 3.259 20 30 BGEDHN CCCCCCC[C@H](C)CNC(=O)C(C)C#N ZINC000736673125 585009382 /nfs/dbraw/zinc/00/93/82/585009382.db2.gz PKPFNHQHAKRFLR-QWHCGFSZSA-N 0 3 238.375 3.259 20 30 BGEDHN CCCCCCC[C@H](C)CNC(=O)C(C)C#N ZINC000736673126 585009388 /nfs/dbraw/zinc/00/93/88/585009388.db2.gz PKPFNHQHAKRFLR-STQMWFEESA-N 0 3 238.375 3.259 20 30 BGEDHN CCCCC[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000736680381 585009602 /nfs/dbraw/zinc/00/96/02/585009602.db2.gz JPDURIAYJRGXOF-NEPJUHHUSA-N 0 3 238.375 3.257 20 30 BGEDHN CCCCC[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000736680382 585009530 /nfs/dbraw/zinc/00/95/30/585009530.db2.gz JPDURIAYJRGXOF-NWDGAFQWSA-N 0 3 238.375 3.257 20 30 BGEDHN CCCCC[C@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000736680383 585009571 /nfs/dbraw/zinc/00/95/71/585009571.db2.gz JPDURIAYJRGXOF-RYUDHWBXSA-N 0 3 238.375 3.257 20 30 BGEDHN CCCCC[C@@H](NC(=O)C(C)C#N)C(C)(C)C ZINC000736680384 585009735 /nfs/dbraw/zinc/00/97/35/585009735.db2.gz JPDURIAYJRGXOF-VXGBXAGGSA-N 0 3 238.375 3.257 20 30 BGEDHN CC(C#N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736681920 585009590 /nfs/dbraw/zinc/00/95/90/585009590.db2.gz FSUUSUZKVIRXKJ-LLVKDONJSA-N 0 3 248.370 3.011 20 30 BGEDHN CC(C#N)C(=O)NC(C1CCCC1)C1CCCC1 ZINC000736681922 585009578 /nfs/dbraw/zinc/00/95/78/585009578.db2.gz FSUUSUZKVIRXKJ-NSHDSACASA-N 0 3 248.370 3.011 20 30 BGEDHN C#CCN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340633 585043462 /nfs/dbraw/zinc/04/34/62/585043462.db2.gz NSMKJKBLDXDFKN-GDBMZVCRSA-N 0 3 227.351 3.401 20 30 BGEDHN C#CCN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340639 585043327 /nfs/dbraw/zinc/04/33/27/585043327.db2.gz NSMKJKBLDXDFKN-GOEBONIOSA-N 0 3 227.351 3.401 20 30 BGEDHN C#CCN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340642 585043397 /nfs/dbraw/zinc/04/33/97/585043397.db2.gz NSMKJKBLDXDFKN-HOCLYGCPSA-N 0 3 227.351 3.401 20 30 BGEDHN C#CCN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340645 585042569 /nfs/dbraw/zinc/04/25/69/585042569.db2.gz NSMKJKBLDXDFKN-ZBFHGGJFSA-N 0 3 227.351 3.401 20 30 BGEDHN C=C(Cl)CN1CCC2(CCCC2)CC1 ZINC000738880804 585053881 /nfs/dbraw/zinc/05/38/81/585053881.db2.gz DJQXNNROMIJUCA-UHFFFAOYSA-N 0 3 213.752 3.395 20 30 BGEDHN C#CCN(CCC=C)[C@H]1CCc2ccccc21 ZINC000739904829 585085087 /nfs/dbraw/zinc/08/50/87/585085087.db2.gz SWASFCLJVNPZDG-INIZCTEOSA-N 0 3 225.335 3.185 20 30 BGEDHN C#CCN(CCC=C)[C@@H]1CCc2ccccc21 ZINC000739904832 585085012 /nfs/dbraw/zinc/08/50/12/585085012.db2.gz SWASFCLJVNPZDG-MRXNPFEDSA-N 0 3 225.335 3.185 20 30 BGEDHN CCCCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000740873745 644559333 /nfs/dbraw/zinc/55/93/33/644559333.db2.gz AQDZLMWMPIYGBO-BETUJISGSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000740873746 644559778 /nfs/dbraw/zinc/55/97/78/644559778.db2.gz AQDZLMWMPIYGBO-CHWSQXEVSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000740873747 644558790 /nfs/dbraw/zinc/55/87/90/644558790.db2.gz AQDZLMWMPIYGBO-STQMWFEESA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCO[C@H](CC)C1 ZINC000740874561 644562158 /nfs/dbraw/zinc/56/21/58/644562158.db2.gz PXUNXNLWPQQCEH-CYBMUJFWSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN1CCO[C@@H](CC)C1 ZINC000740874562 644561554 /nfs/dbraw/zinc/56/15/54/644561554.db2.gz PXUNXNLWPQQCEH-ZDUSSCGKSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCCN1CCOC[C@H]1C ZINC000740874890 644562522 /nfs/dbraw/zinc/56/25/22/644562522.db2.gz PFDBHUDBHNBVRM-CYBMUJFWSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCCN1CCOC[C@@H]1C ZINC000740874891 644560916 /nfs/dbraw/zinc/56/09/16/644560916.db2.gz PFDBHUDBHNBVRM-ZDUSSCGKSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN1C[C@@H](C)OC[C@H]1C ZINC000740875014 644562439 /nfs/dbraw/zinc/56/24/39/644562439.db2.gz XXFYNXRLZYYTCE-CHWSQXEVSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1C[C@H](C)OC[C@H]1C ZINC000740875015 644561175 /nfs/dbraw/zinc/56/11/75/644561175.db2.gz XXFYNXRLZYYTCE-OLZOCXBDSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1C[C@@H](C)OC[C@@H]1C ZINC000740875016 644560520 /nfs/dbraw/zinc/56/05/20/644560520.db2.gz XXFYNXRLZYYTCE-QWHCGFSZSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1C[C@H](C)OC[C@@H]1C ZINC000740875017 644561977 /nfs/dbraw/zinc/56/19/77/644561977.db2.gz XXFYNXRLZYYTCE-STQMWFEESA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCOC(C)(C)C1 ZINC000740875028 644561838 /nfs/dbraw/zinc/56/18/38/644561838.db2.gz YXZUECUJIXKJPG-UHFFFAOYSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN1CCOCC1(C)C ZINC000740875374 583977713 /nfs/dbraw/zinc/97/77/13/583977713.db2.gz WNPUFFUJBRAVKR-UHFFFAOYSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN1CCOC[C@H]1CC ZINC000740878002 583977890 /nfs/dbraw/zinc/97/78/90/583977890.db2.gz MSBIOFQJVPOGGC-CYBMUJFWSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN1CCOC[C@@H]1CC ZINC000740878003 583978370 /nfs/dbraw/zinc/97/83/70/583978370.db2.gz MSBIOFQJVPOGGC-ZDUSSCGKSA-N 0 3 213.365 3.068 20 30 BGEDHN CCCCCCCN(C)Cc1cnn(CC)c1 ZINC000740878263 644564159 /nfs/dbraw/zinc/56/41/59/644564159.db2.gz VPGNGEMYJAKGLY-UHFFFAOYSA-N 0 3 237.391 3.305 20 30 BGEDHN C=CCN(Cc1sc(C)nc1C)C(C)C ZINC000741776843 585118345 /nfs/dbraw/zinc/11/83/45/585118345.db2.gz HLKFFABMALLPSH-UHFFFAOYSA-N 0 3 224.373 3.156 20 30 BGEDHN CC#CCN(C)Cc1c(C)cc(C)cc1C ZINC000741778714 585118135 /nfs/dbraw/zinc/11/81/35/585118135.db2.gz ALZNVEUZFRIBNC-UHFFFAOYSA-N 0 3 215.340 3.067 20 30 BGEDHN CC#CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741785927 585119060 /nfs/dbraw/zinc/11/90/60/585119060.db2.gz URYLNEQUUQGHSW-UHFFFAOYSA-N 0 3 243.350 3.160 20 30 BGEDHN CC#CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000741785927 585119059 /nfs/dbraw/zinc/11/90/59/585119059.db2.gz URYLNEQUUQGHSW-UHFFFAOYSA-N 0 3 243.350 3.160 20 30 BGEDHN C#CCN1CCC[C@H]1c1cccc(C)c1C ZINC000741794513 585119758 /nfs/dbraw/zinc/11/97/58/585119758.db2.gz REXPCYLYASJDNL-HNNXBMFYSA-N 0 3 213.324 3.074 20 30 BGEDHN C#CCN1CCC[C@@H]1c1cccc(C)c1C ZINC000741794514 585119394 /nfs/dbraw/zinc/11/93/94/585119394.db2.gz REXPCYLYASJDNL-OAHLLOKOSA-N 0 3 213.324 3.074 20 30 BGEDHN C#CCN1CCCC[C@H]1c1ccc(C)cc1 ZINC000741795256 585119403 /nfs/dbraw/zinc/11/94/03/585119403.db2.gz XSQHBNXBXDDOCB-HNNXBMFYSA-N 0 3 213.324 3.155 20 30 BGEDHN C#CCN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000741795257 585119613 /nfs/dbraw/zinc/11/96/13/585119613.db2.gz XSQHBNXBXDDOCB-OAHLLOKOSA-N 0 3 213.324 3.155 20 30 BGEDHN C=CCN(Cc1ccccc1N(C)C)C(C)C ZINC000743841058 585140227 /nfs/dbraw/zinc/14/02/27/585140227.db2.gz OOXGAYNADCSHCP-UHFFFAOYSA-N 0 3 232.371 3.149 20 30 BGEDHN C#CCN(CCC1CC1)Cc1ccc(F)cc1 ZINC000743842491 585140572 /nfs/dbraw/zinc/14/05/72/585140572.db2.gz FFXSXSLKANZFTR-UHFFFAOYSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)CC1CCC1 ZINC000743842794 585140429 /nfs/dbraw/zinc/14/04/29/585140429.db2.gz JOTNXDYFIVJMTJ-UHFFFAOYSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CCN1CCCC2(C1)CCCCCC2 ZINC000743860125 585141505 /nfs/dbraw/zinc/14/15/05/585141505.db2.gz PPMYOMPCWHNILE-UHFFFAOYSA-N 0 3 205.345 3.056 20 30 BGEDHN C#CCN1CCCC[C@H]1c1cccc(C)c1C ZINC000743862215 585141162 /nfs/dbraw/zinc/14/11/62/585141162.db2.gz FECILMOGQSGJCL-INIZCTEOSA-N 0 3 227.351 3.464 20 30 BGEDHN C#CCN1CCCC[C@@H]1c1cccc(C)c1C ZINC000743862216 585141405 /nfs/dbraw/zinc/14/14/05/585141405.db2.gz FECILMOGQSGJCL-MRXNPFEDSA-N 0 3 227.351 3.464 20 30 BGEDHN C#CCN(CCC(C)C)Cc1ccc(F)cc1 ZINC000744208810 585146353 /nfs/dbraw/zinc/14/63/53/585146353.db2.gz KOOCQKFOYYSAII-UHFFFAOYSA-N 0 3 233.330 3.307 20 30 BGEDHN CC(C)CCN(CCC#N)C[Si](C)(C)C ZINC000744405144 585149858 /nfs/dbraw/zinc/14/98/58/585149858.db2.gz CQULFZFSAZUYLL-UHFFFAOYSA-N 0 3 226.440 3.126 20 30 BGEDHN C#CCN(C/C=C\Cl)C1CCCCC1 ZINC000744739399 585152687 /nfs/dbraw/zinc/15/26/87/585152687.db2.gz ZQZZBBHNRVZUIJ-TWGQIWQCSA-N 0 3 211.736 3.007 20 30 BGEDHN C#CCN(Cc1cccc(C)n1)C1CCCCC1 ZINC000745983680 585162452 /nfs/dbraw/zinc/16/24/52/585162452.db2.gz DESSFYNYMVNZGQ-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN CCCCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000745986815 585162411 /nfs/dbraw/zinc/16/24/11/585162411.db2.gz FSAPLVRRINYAAM-OKILXGFUSA-N 0 3 225.376 3.210 20 30 BGEDHN C#CCN(Cc1c(C)cc(C)cc1C)C1CC1 ZINC000746114411 585163155 /nfs/dbraw/zinc/16/31/55/585163155.db2.gz GSKRZZFQGBYHJA-UHFFFAOYSA-N 0 3 227.351 3.209 20 30 BGEDHN C#CCN(Cc1cccc2ccccc21)C1CC1 ZINC000746114520 585163215 /nfs/dbraw/zinc/16/32/15/585163215.db2.gz MFKPIZCYAIXKRB-UHFFFAOYSA-N 0 3 235.330 3.437 20 30 BGEDHN C#CCN(C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000746125747 585163491 /nfs/dbraw/zinc/16/34/91/585163491.db2.gz FTKKVWPOFQKCMZ-AWEZNQCLSA-N 0 3 215.340 3.238 20 30 BGEDHN C#CCN(C)[C@H](C)c1c(C)cc(C)cc1C ZINC000746125748 585163512 /nfs/dbraw/zinc/16/35/12/585163512.db2.gz FTKKVWPOFQKCMZ-CQSZACIVSA-N 0 3 215.340 3.238 20 30 BGEDHN C#CCN(C)[C@H](CC)c1ccc(Cl)cc1 ZINC000746126139 585163348 /nfs/dbraw/zinc/16/33/48/585163348.db2.gz QRJWTORBMIDPIH-CYBMUJFWSA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000746126140 585163338 /nfs/dbraw/zinc/16/33/38/585163338.db2.gz QRJWTORBMIDPIH-ZDUSSCGKSA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746126217 585163371 /nfs/dbraw/zinc/16/33/71/585163371.db2.gz VYSSPEWBCMGSEG-JTQLQIEISA-N 0 3 241.256 3.331 20 30 BGEDHN C#CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746126218 585163446 /nfs/dbraw/zinc/16/34/46/585163446.db2.gz VYSSPEWBCMGSEG-SNVBAGLBSA-N 0 3 241.256 3.331 20 30 BGEDHN C#CCN(Cc1ccc(Cl)cc1)C(C)C ZINC000746133196 585163388 /nfs/dbraw/zinc/16/33/88/585163388.db2.gz IGCIMWPVMNYXGA-UHFFFAOYSA-N 0 3 221.731 3.184 20 30 BGEDHN C#CCN(CC)Cc1cccc2ccccc21 ZINC000746134654 585163442 /nfs/dbraw/zinc/16/34/42/585163442.db2.gz UUONTZRBRAHZDD-UHFFFAOYSA-N 0 3 223.319 3.295 20 30 BGEDHN C=CCN(Cc1ccc(OC)c(OC)c1)C(C)C ZINC000746136886 585163822 /nfs/dbraw/zinc/16/38/22/585163822.db2.gz KZDWBSFWMXSILY-UHFFFAOYSA-N 0 3 249.354 3.100 20 30 BGEDHN C#CCN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000746138403 585163620 /nfs/dbraw/zinc/16/36/20/585163620.db2.gz FCRYIVZERFUOJI-CYBMUJFWSA-N 0 3 215.340 3.436 20 30 BGEDHN C#CCN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000746138405 585163742 /nfs/dbraw/zinc/16/37/42/585163742.db2.gz FCRYIVZERFUOJI-ZDUSSCGKSA-N 0 3 215.340 3.436 20 30 BGEDHN C#CCN(CC)[C@H](C)c1cccc(Cl)c1 ZINC000746138855 585163920 /nfs/dbraw/zinc/16/39/20/585163920.db2.gz VYWYBGINKLLLER-LLVKDONJSA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1cccc(Cl)c1 ZINC000746138858 585163718 /nfs/dbraw/zinc/16/37/18/585163718.db2.gz VYWYBGINKLLLER-NSHDSACASA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(CC)Cc1cccc(C(F)(F)F)c1 ZINC000746140068 585163802 /nfs/dbraw/zinc/16/38/02/585163802.db2.gz PJZGLDZIWNEUFD-UHFFFAOYSA-N 0 3 241.256 3.161 20 30 BGEDHN C#CCN(Cc1ccco1)C1CCCCC1 ZINC000746141062 585163662 /nfs/dbraw/zinc/16/36/62/585163662.db2.gz QORZMCCZXCYKLE-UHFFFAOYSA-N 0 3 217.312 3.048 20 30 BGEDHN C#CCN(CC)[C@@H](CC)c1ccccc1 ZINC000746143102 585163907 /nfs/dbraw/zinc/16/39/07/585163907.db2.gz BVKKTVNDLMRVLE-AWEZNQCLSA-N 0 3 201.313 3.093 20 30 BGEDHN C#CCN(CC)[C@H](CC)c1ccccc1 ZINC000746143105 585162980 /nfs/dbraw/zinc/16/29/80/585162980.db2.gz BVKKTVNDLMRVLE-CQSZACIVSA-N 0 3 201.313 3.093 20 30 BGEDHN C#CCN(CC)[C@H](C)c1ccc(Cl)cc1 ZINC000746144039 585163658 /nfs/dbraw/zinc/16/36/58/585163658.db2.gz JNBZVTDRWARLKX-LLVKDONJSA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1ccc(Cl)cc1 ZINC000746144040 585163765 /nfs/dbraw/zinc/16/37/65/585163765.db2.gz JNBZVTDRWARLKX-NSHDSACASA-N 0 3 221.731 3.356 20 30 BGEDHN C#CCN(CC)[C@@H](CC)c1ccc(F)cc1 ZINC000746145258 585163769 /nfs/dbraw/zinc/16/37/69/585163769.db2.gz STWYJHGZALBUSS-AWEZNQCLSA-N 0 3 219.303 3.232 20 30 BGEDHN C#CCN(CC)[C@H](CC)c1ccc(F)cc1 ZINC000746145262 585163021 /nfs/dbraw/zinc/16/30/21/585163021.db2.gz STWYJHGZALBUSS-CQSZACIVSA-N 0 3 219.303 3.232 20 30 BGEDHN C#CCN(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746145314 585163935 /nfs/dbraw/zinc/16/39/35/585163935.db2.gz USQHQSGGCWYIBD-UHFFFAOYSA-N 0 3 241.256 3.161 20 30 BGEDHN C#CCN(CC)[C@H](C)c1ccccc1C ZINC000746145621 585163674 /nfs/dbraw/zinc/16/36/74/585163674.db2.gz ZBRIUEXYFXKRGH-CYBMUJFWSA-N 0 3 201.313 3.011 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1ccccc1C ZINC000746145622 585163794 /nfs/dbraw/zinc/16/37/94/585163794.db2.gz ZBRIUEXYFXKRGH-ZDUSSCGKSA-N 0 3 201.313 3.011 20 30 BGEDHN C#CCN(CCC)[C@H](C)c1ccccc1OC ZINC000746145922 585163707 /nfs/dbraw/zinc/16/37/07/585163707.db2.gz WDAJRTKXTXENFK-CYBMUJFWSA-N 0 3 231.339 3.101 20 30 BGEDHN C#CCN(CCC)[C@@H](C)c1ccccc1OC ZINC000746145923 585163831 /nfs/dbraw/zinc/16/38/31/585163831.db2.gz WDAJRTKXTXENFK-ZDUSSCGKSA-N 0 3 231.339 3.101 20 30 BGEDHN C#CCN(Cc1ccc(C)cc1C)C(C)C ZINC000746146354 585163579 /nfs/dbraw/zinc/16/35/79/585163579.db2.gz APQFYKHMVXPTOP-UHFFFAOYSA-N 0 3 215.340 3.147 20 30 BGEDHN C#CCN(CCCC)[C@@H](C)c1ccccc1 ZINC000746147962 585163650 /nfs/dbraw/zinc/16/36/50/585163650.db2.gz QXOHSMTVGMRSJM-AWEZNQCLSA-N 0 3 215.340 3.483 20 30 BGEDHN C#CCN(CCCC)[C@H](C)c1ccccc1 ZINC000746147964 585163597 /nfs/dbraw/zinc/16/35/97/585163597.db2.gz QXOHSMTVGMRSJM-CQSZACIVSA-N 0 3 215.340 3.483 20 30 BGEDHN C=CCN(Cc1ccc(OC)cc1OC)C(C)C ZINC000746148175 585163669 /nfs/dbraw/zinc/16/36/69/585163669.db2.gz UQWOTYDSXVWPOJ-UHFFFAOYSA-N 0 3 249.354 3.100 20 30 BGEDHN C#CCN(Cc1cccc(C)c1)CC(C)C ZINC000746152442 585164237 /nfs/dbraw/zinc/16/42/37/585164237.db2.gz CPYLVANGOWXYCR-UHFFFAOYSA-N 0 3 215.340 3.086 20 30 BGEDHN C=CCN(Cc1ccccc1OC)C(C)C ZINC000746152715 585164074 /nfs/dbraw/zinc/16/40/74/585164074.db2.gz BIZMSFNRVRRRTC-UHFFFAOYSA-N 0 3 219.328 3.092 20 30 BGEDHN C=CCN(Cc1cc(OC)cc(OC)c1)C(C)C ZINC000746154774 585164093 /nfs/dbraw/zinc/16/40/93/585164093.db2.gz PAAWOXIYCSYOSI-UHFFFAOYSA-N 0 3 249.354 3.100 20 30 BGEDHN C#CCN(Cc1ccc(CC)cc1)C(C)C ZINC000746154873 585164121 /nfs/dbraw/zinc/16/41/21/585164121.db2.gz QYNJVNMIDDGLEC-UHFFFAOYSA-N 0 3 215.340 3.093 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)[C@H](C)CC ZINC000746155126 585164245 /nfs/dbraw/zinc/16/42/45/585164245.db2.gz YARWGEDKVPSKSH-GFCCVEGCSA-N 0 3 219.303 3.059 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)[C@@H](C)CC ZINC000746155127 585164061 /nfs/dbraw/zinc/16/40/61/585164061.db2.gz YARWGEDKVPSKSH-LBPRGKRZSA-N 0 3 219.303 3.059 20 30 BGEDHN C=CCN(Cc1cccc(OC)c1OC)C(C)C ZINC000746155229 585164202 /nfs/dbraw/zinc/16/42/02/585164202.db2.gz VEKUISMWAKSZNA-UHFFFAOYSA-N 0 3 249.354 3.100 20 30 BGEDHN C#CCN(CCC(C)C)Cc1ccccc1 ZINC000746155868 585164199 /nfs/dbraw/zinc/16/41/99/585164199.db2.gz BBPLBBLFIPOWRO-UHFFFAOYSA-N 0 3 215.340 3.168 20 30 BGEDHN C#CCN(Cc1ccccc1)[C@@H](C)CCC ZINC000746156738 585164222 /nfs/dbraw/zinc/16/42/22/585164222.db2.gz MXDRHTYJOPWJDZ-AWEZNQCLSA-N 0 3 215.340 3.310 20 30 BGEDHN C#CCN(Cc1ccccc1)[C@H](C)CCC ZINC000746156740 585164069 /nfs/dbraw/zinc/16/40/69/585164069.db2.gz MXDRHTYJOPWJDZ-CQSZACIVSA-N 0 3 215.340 3.310 20 30 BGEDHN C#CCN(CCCC)[C@H](C)c1ccc(C)o1 ZINC000746164778 585164308 /nfs/dbraw/zinc/16/43/08/585164308.db2.gz BWOATGTYGFKMQU-CYBMUJFWSA-N 0 3 219.328 3.384 20 30 BGEDHN C#CCN(CCCC)[C@@H](C)c1ccc(C)o1 ZINC000746164780 585164450 /nfs/dbraw/zinc/16/44/50/585164450.db2.gz BWOATGTYGFKMQU-ZDUSSCGKSA-N 0 3 219.328 3.384 20 30 BGEDHN C#CCN(CCc1ccccc1F)C1CCCC1 ZINC000746167876 585164283 /nfs/dbraw/zinc/16/42/83/585164283.db2.gz BRZKKLJKQFHERM-UHFFFAOYSA-N 0 3 245.341 3.246 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000746170627 585164502 /nfs/dbraw/zinc/16/45/02/585164502.db2.gz WMHJZMZAVYGYBH-CYBMUJFWSA-N 0 3 233.330 3.305 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000746170629 585164495 /nfs/dbraw/zinc/16/44/95/585164495.db2.gz WMHJZMZAVYGYBH-ZDUSSCGKSA-N 0 3 233.330 3.305 20 30 BGEDHN C=CCN(CC#Cc1ccc(F)cc1)C(C)C ZINC000746449886 585168098 /nfs/dbraw/zinc/16/80/98/585168098.db2.gz JZJPDKBGMDNYQN-UHFFFAOYSA-N 0 3 231.314 3.074 20 30 BGEDHN C#CCN(Cc1ccc(C)cn1)C1CCCCC1 ZINC000746451027 585168011 /nfs/dbraw/zinc/16/80/11/585168011.db2.gz RRSUGBRAFZAVAJ-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCN(Cc1cnccc1C)C1CCCCC1 ZINC000746451078 585168160 /nfs/dbraw/zinc/16/81/60/585168160.db2.gz VVUUUGQSPINVHZ-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCN(CC)[C@H]1CCCc2ccccc21 ZINC000746456829 585168291 /nfs/dbraw/zinc/16/82/91/585168291.db2.gz MNVIVDRDYHXLSD-HNNXBMFYSA-N 0 3 213.324 3.019 20 30 BGEDHN C#CCN(CC)[C@@H]1CCCc2ccccc21 ZINC000746456830 585168351 /nfs/dbraw/zinc/16/83/51/585168351.db2.gz MNVIVDRDYHXLSD-OAHLLOKOSA-N 0 3 213.324 3.019 20 30 BGEDHN C#CCN(CC)CCc1ccc2ccccc2c1 ZINC000746456843 585168431 /nfs/dbraw/zinc/16/84/31/585168431.db2.gz NFMWQVVPQFCTLC-UHFFFAOYSA-N 0 3 237.346 3.337 20 30 BGEDHN C#CCN(CC)Cc1csc2ccccc12 ZINC000746457838 585168365 /nfs/dbraw/zinc/16/83/65/585168365.db2.gz RLGQQHRDRKCLHK-UHFFFAOYSA-N 0 3 229.348 3.356 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000746458005 585168378 /nfs/dbraw/zinc/16/83/78/585168378.db2.gz ZHTJUPJYNWDCMF-JTQLQIEISA-N 0 3 239.721 3.495 20 30 BGEDHN C#CCN(CC)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000746458009 585168186 /nfs/dbraw/zinc/16/81/86/585168186.db2.gz ZHTJUPJYNWDCMF-SNVBAGLBSA-N 0 3 239.721 3.495 20 30 BGEDHN CC(C)(C)[C@@H]1CCCC(=Nn2cnnc2)CC1 ZINC000746557368 585170047 /nfs/dbraw/zinc/17/00/47/585170047.db2.gz BCRMCPQWRRFEAV-LLVKDONJSA-N 0 3 234.347 3.109 20 30 BGEDHN CC(C)(C)[C@H]1CCCC(=Nn2cnnc2)CC1 ZINC000746557369 585170055 /nfs/dbraw/zinc/17/00/55/585170055.db2.gz BCRMCPQWRRFEAV-NSHDSACASA-N 0 3 234.347 3.109 20 30 BGEDHN C#CCN1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000746674043 585171885 /nfs/dbraw/zinc/17/18/85/585171885.db2.gz MQNUIISGAFHYGE-GDBMZVCRSA-N 0 3 227.351 3.135 20 30 BGEDHN C#CCN1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674045 585171959 /nfs/dbraw/zinc/17/19/59/585171959.db2.gz MQNUIISGAFHYGE-GOEBONIOSA-N 0 3 227.351 3.135 20 30 BGEDHN C#CCN1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674046 585171900 /nfs/dbraw/zinc/17/19/00/585171900.db2.gz MQNUIISGAFHYGE-HOCLYGCPSA-N 0 3 227.351 3.135 20 30 BGEDHN C#CCN1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000746674048 585171873 /nfs/dbraw/zinc/17/18/73/585171873.db2.gz MQNUIISGAFHYGE-ZBFHGGJFSA-N 0 3 227.351 3.135 20 30 BGEDHN C#CCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531479 585180183 /nfs/dbraw/zinc/18/01/83/585180183.db2.gz BCXSWYWKZRFRHA-NEPJUHHUSA-N 0 3 235.758 3.397 20 30 BGEDHN C#CCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531489 585180520 /nfs/dbraw/zinc/18/05/20/585180520.db2.gz BCXSWYWKZRFRHA-NWDGAFQWSA-N 0 3 235.758 3.397 20 30 BGEDHN C#CCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531490 585180400 /nfs/dbraw/zinc/18/04/00/585180400.db2.gz BCXSWYWKZRFRHA-RYUDHWBXSA-N 0 3 235.758 3.397 20 30 BGEDHN C#CCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531492 585180293 /nfs/dbraw/zinc/18/02/93/585180293.db2.gz BCXSWYWKZRFRHA-VXGBXAGGSA-N 0 3 235.758 3.397 20 30 BGEDHN C=CCN(Cc1ccnc(Cl)c1)C(C)C ZINC000748806957 585196816 /nfs/dbraw/zinc/19/68/16/585196816.db2.gz WZYJHKGUMCZZNK-UHFFFAOYSA-N 0 3 224.735 3.131 20 30 BGEDHN C#CCN(CC)[C@H](C)c1cccc(C)c1 ZINC000749154881 585199890 /nfs/dbraw/zinc/19/98/90/585199890.db2.gz IAFHBALBCPHTLD-CYBMUJFWSA-N 0 3 201.313 3.011 20 30 BGEDHN C#CCN(CC)[C@@H](C)c1cccc(C)c1 ZINC000749154887 585200004 /nfs/dbraw/zinc/20/00/04/585200004.db2.gz IAFHBALBCPHTLD-ZDUSSCGKSA-N 0 3 201.313 3.011 20 30 BGEDHN C#CCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000749440233 585202484 /nfs/dbraw/zinc/20/24/84/585202484.db2.gz BHOUFEUMNRZIBW-INIZCTEOSA-N 0 3 225.335 3.162 20 30 BGEDHN C#CCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000749440234 585202425 /nfs/dbraw/zinc/20/24/25/585202425.db2.gz BHOUFEUMNRZIBW-MRXNPFEDSA-N 0 3 225.335 3.162 20 30 BGEDHN CCCCCCCN1CCOCC12CCC2 ZINC000749545667 585203609 /nfs/dbraw/zinc/20/36/09/585203609.db2.gz LHQBXKITPFRFCQ-UHFFFAOYSA-N 0 3 225.376 3.212 20 30 BGEDHN CC(=NOCC(C)C)c1ccc(N(C)C)cc1 ZINC000749636481 585204834 /nfs/dbraw/zinc/20/48/34/585204834.db2.gz LTKREMLFWALMRG-UHFFFAOYSA-N 0 3 234.343 3.149 20 30 BGEDHN CCCCCCCCN1CCc2c[nH]nc2C1 ZINC000750721866 585218854 /nfs/dbraw/zinc/21/88/54/585218854.db2.gz NPBZKRVNBQGGRL-UHFFFAOYSA-N 0 3 235.375 3.128 20 30 BGEDHN C=C(Cl)CN1CCSC2(CCCCC2)C1 ZINC000750984619 585223099 /nfs/dbraw/zinc/22/30/99/585223099.db2.gz VMFLYHXPYRDIJN-UHFFFAOYSA-N 0 3 245.819 3.491 20 30 BGEDHN C#CCCCNc1cc(CC)nc2ccccc21 ZINC000751894326 585238446 /nfs/dbraw/zinc/23/84/46/585238446.db2.gz JZWDVMVZLQEBPF-UHFFFAOYSA-N 0 3 238.334 3.044 20 30 BGEDHN C#CCN(CC)[C@H]1CCc2c1cccc2Cl ZINC000751999755 585240505 /nfs/dbraw/zinc/24/05/05/585240505.db2.gz PMTMBSJIJAGUNX-AWEZNQCLSA-N 0 3 233.742 3.282 20 30 BGEDHN C#CCN(CC)[C@@H]1CCc2c1cccc2Cl ZINC000751999756 585240592 /nfs/dbraw/zinc/24/05/92/585240592.db2.gz PMTMBSJIJAGUNX-CQSZACIVSA-N 0 3 233.742 3.282 20 30 BGEDHN CC#CCN1CCC(c2cccc(F)c2)CC1 ZINC000752088586 585241963 /nfs/dbraw/zinc/24/19/63/585241963.db2.gz HTIMLPZZCRMPGF-UHFFFAOYSA-N 0 3 231.314 3.028 20 30 BGEDHN C=CCN1CCC(c2cccc(F)c2)CC1 ZINC000752094844 585241225 /nfs/dbraw/zinc/24/12/25/585241225.db2.gz WNGHIVDQGJAPLD-UHFFFAOYSA-N 0 3 219.303 3.191 20 30 BGEDHN CC#CCN1CCC(c2ccc(F)cc2)CC1 ZINC000752095045 585242428 /nfs/dbraw/zinc/24/24/28/585242428.db2.gz NHHBEARXCVOSNP-UHFFFAOYSA-N 0 3 231.314 3.028 20 30 BGEDHN C#CCCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000752797415 585250524 /nfs/dbraw/zinc/25/05/24/585250524.db2.gz OXLXPWLMDSKNPN-AWEZNQCLSA-N 0 3 249.304 3.345 20 30 BGEDHN C#CCCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000752797417 585250350 /nfs/dbraw/zinc/25/03/50/585250350.db2.gz OXLXPWLMDSKNPN-CQSZACIVSA-N 0 3 249.304 3.345 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(OC)cc1C ZINC000752853608 644603856 /nfs/dbraw/zinc/60/38/56/644603856.db2.gz DGLHAXDATGWBIP-UHFFFAOYSA-N 0 3 231.339 3.178 20 30 BGEDHN C#CCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000752853852 644604122 /nfs/dbraw/zinc/60/41/22/644604122.db2.gz DCTUVQXSWYUFEM-HNNXBMFYSA-N 0 3 245.391 3.108 20 30 BGEDHN C#CCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000752853867 644604019 /nfs/dbraw/zinc/60/40/19/644604019.db2.gz DCTUVQXSWYUFEM-OAHLLOKOSA-N 0 3 245.391 3.108 20 30 BGEDHN C#CCCN(C)Cc1csc2ccccc12 ZINC000752855180 585250796 /nfs/dbraw/zinc/25/07/96/585250796.db2.gz KFUROWXFMWEVKZ-UHFFFAOYSA-N 0 3 229.348 3.356 20 30 BGEDHN C#CCCN(CC)Cc1cccc(Cl)c1 ZINC000752856199 585250821 /nfs/dbraw/zinc/25/08/21/585250821.db2.gz OULMMNPUGDNOKH-UHFFFAOYSA-N 0 3 221.731 3.185 20 30 BGEDHN C#CCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000752856522 585250986 /nfs/dbraw/zinc/25/09/86/585250986.db2.gz QXISQPZGNMWPCP-UHFFFAOYSA-N 0 3 233.742 3.328 20 30 BGEDHN C#CCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000752857425 585251009 /nfs/dbraw/zinc/25/10/09/585251009.db2.gz VIKDUPCQGYEBDE-UHFFFAOYSA-N 0 3 242.149 3.449 20 30 BGEDHN C#CCN(CC)[C@H]1CCCc2ccc(F)cc21 ZINC000753163819 585254879 /nfs/dbraw/zinc/25/48/79/585254879.db2.gz SNTSHPYCLAJBBC-HNNXBMFYSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCN(CC)[C@@H]1CCCc2ccc(F)cc21 ZINC000753163822 585254760 /nfs/dbraw/zinc/25/47/60/585254760.db2.gz SNTSHPYCLAJBBC-OAHLLOKOSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCN(CCC(=O)C(C)(C)C)C1CCCCC1 ZINC000753706503 585266637 /nfs/dbraw/zinc/26/66/37/585266637.db2.gz WIOHLUKHKMGBQW-UHFFFAOYSA-N 0 3 249.398 3.260 20 30 BGEDHN Cc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000753965773 585273974 /nfs/dbraw/zinc/27/39/74/585273974.db2.gz HHDWHLFNWLBWHL-GFCCVEGCSA-N 0 3 243.354 3.020 20 30 BGEDHN Cc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1 ZINC000753965777 585273911 /nfs/dbraw/zinc/27/39/11/585273911.db2.gz HHDWHLFNWLBWHL-LBPRGKRZSA-N 0 3 243.354 3.020 20 30 BGEDHN Cc1cccc(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753967865 585273991 /nfs/dbraw/zinc/27/39/91/585273991.db2.gz QXBUAZWEZBEMHA-GFCCVEGCSA-N 0 3 243.354 3.020 20 30 BGEDHN Cc1cccc(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000753967866 585273851 /nfs/dbraw/zinc/27/38/51/585273851.db2.gz QXBUAZWEZBEMHA-LBPRGKRZSA-N 0 3 243.354 3.020 20 30 BGEDHN C=CCN(CC=C)CCOc1ccc(C)cc1 ZINC000754013826 585275240 /nfs/dbraw/zinc/27/52/40/585275240.db2.gz IHWBDTIPLFTPAY-UHFFFAOYSA-N 0 3 231.339 3.048 20 30 BGEDHN Cc1ccc(N=NC2CN(C(C)C)C[C@H]2C)cc1 ZINC000754254875 585281372 /nfs/dbraw/zinc/28/13/72/585281372.db2.gz QTNIMEJHKRVDCG-CYBMUJFWSA-N 0 3 245.370 3.123 20 30 BGEDHN Cc1ccc(N=NC2CN(C(C)C)C[C@@H]2C)cc1 ZINC000754254878 585281402 /nfs/dbraw/zinc/28/14/02/585281402.db2.gz QTNIMEJHKRVDCG-ZDUSSCGKSA-N 0 3 245.370 3.123 20 30 BGEDHN Cc1cccc(N=NC2CN(C(C)C)C[C@H]2C)c1 ZINC000754256707 585281247 /nfs/dbraw/zinc/28/12/47/585281247.db2.gz ZEDWXTBVMZAUKB-CYBMUJFWSA-N 0 3 245.370 3.123 20 30 BGEDHN Cc1cccc(N=NC2CN(C(C)C)C[C@@H]2C)c1 ZINC000754256708 585281397 /nfs/dbraw/zinc/28/13/97/585281397.db2.gz ZEDWXTBVMZAUKB-ZDUSSCGKSA-N 0 3 245.370 3.123 20 30 BGEDHN CCCCCCCCN1CCN(CC)[C@@H](C)C1 ZINC000754372803 585283432 /nfs/dbraw/zinc/28/34/32/585283432.db2.gz LKYZTZBRLWYSHB-HNNXBMFYSA-N 0 3 240.435 3.373 20 30 BGEDHN CCCCCCCCN1CCN(CC)[C@H](C)C1 ZINC000754372815 585283539 /nfs/dbraw/zinc/28/35/39/585283539.db2.gz LKYZTZBRLWYSHB-OAHLLOKOSA-N 0 3 240.435 3.373 20 30 BGEDHN CCCCCCCCN(C)Cc1cn[nH]c1 ZINC000754661342 585288742 /nfs/dbraw/zinc/28/87/42/585288742.db2.gz YRCCHOQZQZIWRW-UHFFFAOYSA-N 0 3 223.364 3.202 20 30 BGEDHN CCCC[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000755048735 585293827 /nfs/dbraw/zinc/29/38/27/585293827.db2.gz PMRAREUWUDWQRA-KFWWJZLASA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@@H]1CCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000755048737 585293995 /nfs/dbraw/zinc/29/39/95/585293995.db2.gz PMRAREUWUDWQRA-RBSFLKMASA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@@H]1CCC[C@H]1NC[C@H](C#N)CCC#N ZINC000755048738 585293763 /nfs/dbraw/zinc/29/37/63/585293763.db2.gz PMRAREUWUDWQRA-RRFJBIMHSA-N 0 3 247.386 3.378 20 30 BGEDHN CCCC[C@@H]1CCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000755048740 585293814 /nfs/dbraw/zinc/29/38/14/585293814.db2.gz PMRAREUWUDWQRA-ZNMIVQPWSA-N 0 3 247.386 3.378 20 30 BGEDHN C#CCCN(C)C/C(C)=C\c1ccccc1 ZINC000755178377 585295787 /nfs/dbraw/zinc/29/57/87/585295787.db2.gz AYQPEVAUERGZAX-OWBHPGMISA-N 0 3 213.324 3.045 20 30 BGEDHN C#CCCN(C)C/C(C)=C/c1ccccc1 ZINC000755178387 585295791 /nfs/dbraw/zinc/29/57/91/585295791.db2.gz AYQPEVAUERGZAX-WYMLVPIESA-N 0 3 213.324 3.045 20 30 BGEDHN CC(C)(C)CC=Nn1cnnc1-c1ccccc1 ZINC000755617296 585302278 /nfs/dbraw/zinc/30/22/78/585302278.db2.gz JTKMQZUAICMIOZ-UHFFFAOYSA-N 0 3 242.326 3.215 20 30 BGEDHN CCC[C@@H](C)C=Nn1cnnc1-c1ccccc1 ZINC000755617591 585302415 /nfs/dbraw/zinc/30/24/15/585302415.db2.gz PRPDYDOUMLXZDT-GFCCVEGCSA-N 0 3 242.326 3.215 20 30 BGEDHN CCC[C@H](C)C=Nn1cnnc1-c1ccccc1 ZINC000755617592 585302241 /nfs/dbraw/zinc/30/22/41/585302241.db2.gz PRPDYDOUMLXZDT-LBPRGKRZSA-N 0 3 242.326 3.215 20 30 BGEDHN CCCCCC=Nn1cnnc1-c1ccccc1 ZINC000755617889 585302163 /nfs/dbraw/zinc/30/21/63/585302163.db2.gz RLJUTXVINZXBFL-UHFFFAOYSA-N 0 3 242.326 3.359 20 30 BGEDHN C#CCOc1ccccc1CN(C)C[C@@H](C)CC ZINC000755941994 585311282 /nfs/dbraw/zinc/31/12/82/585311282.db2.gz ZZUPZUGBQLPDHJ-AWEZNQCLSA-N 0 3 245.366 3.177 20 30 BGEDHN C#CCOc1ccccc1CN(C)C[C@H](C)CC ZINC000755941995 585311153 /nfs/dbraw/zinc/31/11/53/585311153.db2.gz ZZUPZUGBQLPDHJ-CQSZACIVSA-N 0 3 245.366 3.177 20 30 BGEDHN C=CCCCN(CC)Cc1cccc(C)n1 ZINC000756034657 585313317 /nfs/dbraw/zinc/31/33/17/585313317.db2.gz CNZBVRGBIACTLD-UHFFFAOYSA-N 0 3 218.344 3.178 20 30 BGEDHN C#CCN(CC)Cc1ccc2nc(C)sc2c1 ZINC000756078740 585313988 /nfs/dbraw/zinc/31/39/88/585313988.db2.gz JBVTYMHCOQFRFW-UHFFFAOYSA-N 0 3 244.363 3.060 20 30 BGEDHN C#CCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756607680 585321741 /nfs/dbraw/zinc/32/17/41/585321741.db2.gz HCRDBWRCAJXHNT-CMPLNLGQSA-N 0 3 247.313 3.083 20 30 BGEDHN C#CCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756607685 585321712 /nfs/dbraw/zinc/32/17/12/585321712.db2.gz HCRDBWRCAJXHNT-JQWIXIFHSA-N 0 3 247.313 3.083 20 30 BGEDHN C#CCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756607691 585321623 /nfs/dbraw/zinc/32/16/23/585321623.db2.gz HCRDBWRCAJXHNT-PWSUYJOCSA-N 0 3 247.313 3.083 20 30 BGEDHN C#CCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756607696 585321582 /nfs/dbraw/zinc/32/15/82/585321582.db2.gz HCRDBWRCAJXHNT-ZYHUDNBSSA-N 0 3 247.313 3.083 20 30 BGEDHN C#CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756610896 585321626 /nfs/dbraw/zinc/32/16/26/585321626.db2.gz RHDQEVDGRIMAOY-CYBMUJFWSA-N 0 3 231.339 3.073 20 30 BGEDHN C#CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756610908 585321725 /nfs/dbraw/zinc/32/17/25/585321725.db2.gz RHDQEVDGRIMAOY-ZDUSSCGKSA-N 0 3 231.339 3.073 20 30 BGEDHN CCCCCCCN[C@H](CC)c1ccn(C)n1 ZINC000756789925 585323118 /nfs/dbraw/zinc/32/31/18/585323118.db2.gz IWXJPCRPRQLHMC-CYBMUJFWSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCN[C@@H](CC)c1ccn(C)n1 ZINC000756789927 585323242 /nfs/dbraw/zinc/32/32/42/585323242.db2.gz IWXJPCRPRQLHMC-ZDUSSCGKSA-N 0 3 237.391 3.431 20 30 BGEDHN CC(C)CN(CCC#N)CCCOC(C)(C)C ZINC000756885428 585324758 /nfs/dbraw/zinc/32/47/58/585324758.db2.gz NBGWMJJRFLERIY-UHFFFAOYSA-N 0 3 240.391 3.063 20 30 BGEDHN C=C[C@@H](C)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000756903157 585325031 /nfs/dbraw/zinc/32/50/31/585325031.db2.gz LSNQTLWMGXGJLI-GFCCVEGCSA-N 0 3 245.366 3.454 20 30 BGEDHN C=C[C@H](C)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000756903158 585325080 /nfs/dbraw/zinc/32/50/80/585325080.db2.gz LSNQTLWMGXGJLI-LBPRGKRZSA-N 0 3 245.366 3.454 20 30 BGEDHN C#CCN(C[C@@H]1CC1(Cl)Cl)C1CCCC1 ZINC000757419272 585335688 /nfs/dbraw/zinc/33/56/88/585335688.db2.gz QNNNLGTWLQBCJY-JTQLQIEISA-N 0 3 246.181 3.058 20 30 BGEDHN C#CCN(C[C@H]1CC1(Cl)Cl)C1CCCC1 ZINC000757419274 585335795 /nfs/dbraw/zinc/33/57/95/585335795.db2.gz QNNNLGTWLQBCJY-SNVBAGLBSA-N 0 3 246.181 3.058 20 30 BGEDHN C=CCN(Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000757922585 585346871 /nfs/dbraw/zinc/34/68/71/585346871.db2.gz BCLJFIHCIQTDGX-UHFFFAOYSA-N 0 3 248.345 3.042 20 30 BGEDHN CCC(CC)NN=C(C)c1ccc(N)cc1C ZINC000758109698 585349166 /nfs/dbraw/zinc/34/91/66/585349166.db2.gz JPZTXMVLIJEZIV-UHFFFAOYSA-N 0 3 233.359 3.079 20 30 BGEDHN C=CCN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000758693849 585358413 /nfs/dbraw/zinc/35/84/13/585358413.db2.gz BTQIWAMQYWWPKT-UHFFFAOYSA-N 0 3 232.302 3.094 20 30 BGEDHN C=CCN(Cc1c(C)nc2ccccn21)C(C)C ZINC000759327085 585367621 /nfs/dbraw/zinc/36/76/21/585367621.db2.gz ILEADMMCYZPXJE-UHFFFAOYSA-N 0 3 243.354 3.039 20 30 BGEDHN C=CCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000759334428 585368368 /nfs/dbraw/zinc/36/83/68/585368368.db2.gz FKTHBZKGGLKPEC-UHFFFAOYSA-N 0 3 244.382 3.002 20 30 BGEDHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 ZINC000760248346 585387432 /nfs/dbraw/zinc/38/74/32/585387432.db2.gz GWBUSDGNKJIMMM-NEPJUHHUSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248348 585387572 /nfs/dbraw/zinc/38/75/72/585387572.db2.gz GWBUSDGNKJIMMM-NWDGAFQWSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248349 584907283 /nfs/dbraw/zinc/90/72/83/584907283.db2.gz GWBUSDGNKJIMMM-RYUDHWBXSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248351 584907297 /nfs/dbraw/zinc/90/72/97/584907297.db2.gz GWBUSDGNKJIMMM-VXGBXAGGSA-N 0 3 239.322 3.298 20 30 BGEDHN C#CCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000760808056 585397596 /nfs/dbraw/zinc/39/75/96/585397596.db2.gz NWZMOPVCESCVEC-UHFFFAOYSA-N 0 3 225.335 3.107 20 30 BGEDHN C#CCCN(CCC)[C@@H](C)c1ccccc1OC ZINC000760818553 585397884 /nfs/dbraw/zinc/39/78/84/585397884.db2.gz GNJCQRZYUWPZHQ-AWEZNQCLSA-N 0 3 245.366 3.492 20 30 BGEDHN C#CCCN(CCC)[C@H](C)c1ccccc1OC ZINC000760818554 585397868 /nfs/dbraw/zinc/39/78/68/585397868.db2.gz GNJCQRZYUWPZHQ-CQSZACIVSA-N 0 3 245.366 3.492 20 30 BGEDHN C#CCCN(CCCC)Cc1ccccc1F ZINC000760819399 585397913 /nfs/dbraw/zinc/39/79/13/585397913.db2.gz KWQYNWNVBZHOSH-UHFFFAOYSA-N 0 3 233.330 3.451 20 30 BGEDHN C#CCCN(CCC)Cc1ccccc1F ZINC000760820127 585397987 /nfs/dbraw/zinc/39/79/87/585397987.db2.gz OHXBFYBQYHDHAZ-UHFFFAOYSA-N 0 3 219.303 3.061 20 30 BGEDHN C#CCCN(Cc1ccccc1F)C(C)C ZINC000760820614 585397800 /nfs/dbraw/zinc/39/78/00/585397800.db2.gz QTBUHLGVCRWJPY-UHFFFAOYSA-N 0 3 219.303 3.059 20 30 BGEDHN C#CCCN(Cc1ccccc1F)CC(C)C ZINC000760820977 585397759 /nfs/dbraw/zinc/39/77/59/585397759.db2.gz RRECITXZBBHTNU-UHFFFAOYSA-N 0 3 233.330 3.307 20 30 BGEDHN C#CCCN(CC)Cc1ccc(Cl)cc1 ZINC000760822398 585397781 /nfs/dbraw/zinc/39/77/81/585397781.db2.gz YQICNWUASXJQHP-UHFFFAOYSA-N 0 3 221.731 3.185 20 30 BGEDHN C#CCCN1CCCC[C@H]1c1ccccc1OC ZINC000760829412 585398327 /nfs/dbraw/zinc/39/83/27/585398327.db2.gz AMJMDNYMSKQOFN-HNNXBMFYSA-N 0 3 243.350 3.246 20 30 BGEDHN C#CCCN1CCCC[C@@H]1c1ccccc1OC ZINC000760829413 585398340 /nfs/dbraw/zinc/39/83/40/585398340.db2.gz AMJMDNYMSKQOFN-OAHLLOKOSA-N 0 3 243.350 3.246 20 30 BGEDHN C#CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760840798 585398844 /nfs/dbraw/zinc/39/88/44/585398844.db2.gz PLFWOGPDRMDOIR-UHFFFAOYSA-N 0 3 243.350 3.160 20 30 BGEDHN C#CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000760840798 585398843 /nfs/dbraw/zinc/39/88/43/585398843.db2.gz PLFWOGPDRMDOIR-UHFFFAOYSA-N 0 3 243.350 3.160 20 30 BGEDHN C#CCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000760840861 585398695 /nfs/dbraw/zinc/39/86/95/585398695.db2.gz IQSHQQYGDCHQDM-DOMZBBRYSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000760840863 585399013 /nfs/dbraw/zinc/39/90/13/585399013.db2.gz IQSHQQYGDCHQDM-IUODEOHRSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000760840865 585398719 /nfs/dbraw/zinc/39/87/19/585398719.db2.gz IQSHQQYGDCHQDM-SWLSCSKDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000760840867 585398772 /nfs/dbraw/zinc/39/87/72/585398772.db2.gz IQSHQQYGDCHQDM-WFASDCNBSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000760840904 585398922 /nfs/dbraw/zinc/39/89/22/585398922.db2.gz JGORCMSOXJIXGM-DOMZBBRYSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000760840905 585398933 /nfs/dbraw/zinc/39/89/33/585398933.db2.gz JGORCMSOXJIXGM-IUODEOHRSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000760840906 585398891 /nfs/dbraw/zinc/39/88/91/585398891.db2.gz JGORCMSOXJIXGM-SWLSCSKDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000760840907 585398654 /nfs/dbraw/zinc/39/86/54/585398654.db2.gz JGORCMSOXJIXGM-WFASDCNBSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000760841272 585398612 /nfs/dbraw/zinc/39/86/12/585398612.db2.gz MVNAEVOWSCOMLJ-GXTWGEPZSA-N 0 3 231.339 3.384 20 30 BGEDHN C#CCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000760841274 585398596 /nfs/dbraw/zinc/39/85/96/585398596.db2.gz MVNAEVOWSCOMLJ-JSGCOSHPSA-N 0 3 231.339 3.384 20 30 BGEDHN C#CCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000760841275 585398766 /nfs/dbraw/zinc/39/87/66/585398766.db2.gz MVNAEVOWSCOMLJ-OCCSQVGLSA-N 0 3 231.339 3.384 20 30 BGEDHN C#CCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000760841276 585398835 /nfs/dbraw/zinc/39/88/35/585398835.db2.gz MVNAEVOWSCOMLJ-TZMCWYRMSA-N 0 3 231.339 3.384 20 30 BGEDHN C#CCCN1CCC(c2ccccc2F)CC1 ZINC000760841528 585398800 /nfs/dbraw/zinc/39/88/00/585398800.db2.gz WCPGFJGXMMTCTE-UHFFFAOYSA-N 0 3 231.314 3.028 20 30 BGEDHN C#CCCN1CCC(=Cc2ccccc2F)CC1 ZINC000760843008 585399378 /nfs/dbraw/zinc/39/93/78/585399378.db2.gz HJPNZUXDXJTPJM-UHFFFAOYSA-N 0 3 243.325 3.328 20 30 BGEDHN C#CCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000760844359 585399117 /nfs/dbraw/zinc/39/91/17/585399117.db2.gz UIULYYKZOXTKAO-HNNXBMFYSA-N 0 3 231.314 3.376 20 30 BGEDHN C#CCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000760844361 585399328 /nfs/dbraw/zinc/39/93/28/585399328.db2.gz UIULYYKZOXTKAO-OAHLLOKOSA-N 0 3 231.314 3.376 20 30 BGEDHN C#CCCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000760844605 585399641 /nfs/dbraw/zinc/39/96/41/585399641.db2.gz VILSVFGEQWCJKI-DOMZBBRYSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844610 585399619 /nfs/dbraw/zinc/39/96/19/585399619.db2.gz VILSVFGEQWCJKI-IUODEOHRSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844614 585399850 /nfs/dbraw/zinc/39/98/50/585399850.db2.gz VILSVFGEQWCJKI-SWLSCSKDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CCCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000760844619 585399822 /nfs/dbraw/zinc/39/98/22/585399822.db2.gz VILSVFGEQWCJKI-WFASDCNBSA-N 0 3 231.314 3.232 20 30 BGEDHN CC(C)CC1CCN(CCCC#N)CC1 ZINC000760927737 585402008 /nfs/dbraw/zinc/40/20/08/585402008.db2.gz UFMPTHPOWXEMLW-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN CCCC1(C(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000761000586 585403468 /nfs/dbraw/zinc/40/34/68/585403468.db2.gz FLBZBLDWHKXTIJ-JTQLQIEISA-N 0 3 248.351 3.208 20 30 BGEDHN CCCC1(C(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000761000587 585403570 /nfs/dbraw/zinc/40/35/70/585403570.db2.gz FLBZBLDWHKXTIJ-SNVBAGLBSA-N 0 3 248.351 3.208 20 30 BGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2C[C@@H]21 ZINC000761093217 585408283 /nfs/dbraw/zinc/40/82/83/585408283.db2.gz LZRDMMFMNRMXAE-DOMZBBRYSA-N 0 3 240.350 3.082 20 30 BGEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H]2C[C@H]21 ZINC000761093225 585408220 /nfs/dbraw/zinc/40/82/20/585408220.db2.gz LZRDMMFMNRMXAE-SWLSCSKDSA-N 0 3 240.350 3.082 20 30 BGEDHN C#CCN1CCCC[C@H]1CCc1ccccc1 ZINC000761124775 585410756 /nfs/dbraw/zinc/41/07/56/585410756.db2.gz UFNPIYDEUDKNDA-INIZCTEOSA-N 0 3 227.351 3.107 20 30 BGEDHN C#CCN1CCCC[C@@H]1CCc1ccccc1 ZINC000761124777 585410773 /nfs/dbraw/zinc/41/07/73/585410773.db2.gz UFNPIYDEUDKNDA-MRXNPFEDSA-N 0 3 227.351 3.107 20 30 BGEDHN CCCCCCCN1CCOC[C@H]1C1CC1 ZINC000761127507 585410827 /nfs/dbraw/zinc/41/08/27/585410827.db2.gz TYOSDDJBMMDWRM-AWEZNQCLSA-N 0 3 225.376 3.068 20 30 BGEDHN CCCCCCCN1CCOC[C@@H]1C1CC1 ZINC000761127509 585410735 /nfs/dbraw/zinc/41/07/35/585410735.db2.gz TYOSDDJBMMDWRM-CQSZACIVSA-N 0 3 225.376 3.068 20 30 BGEDHN C#CCN(CC)CCCSCc1ccccc1 ZINC000761670264 585417837 /nfs/dbraw/zinc/41/78/37/585417837.db2.gz RBVAOKBJJRWVFM-UHFFFAOYSA-N 0 3 247.407 3.265 20 30 BGEDHN Cc1cc(C)c(N=NC2C[C@@H](C)N(C)C2)c(C)c1 ZINC000761812758 585418513 /nfs/dbraw/zinc/41/85/13/585418513.db2.gz OMBQQQZIRIWCFG-CYBMUJFWSA-N 0 3 245.370 3.104 20 30 BGEDHN Cc1cc(C)c(N=NC2C[C@H](C)N(C)C2)c(C)c1 ZINC000761812760 585418585 /nfs/dbraw/zinc/41/85/85/585418585.db2.gz OMBQQQZIRIWCFG-ZDUSSCGKSA-N 0 3 245.370 3.104 20 30 BGEDHN C#CCN(Cc1cccc(F)c1)C(C)(C)C ZINC000761921952 585422907 /nfs/dbraw/zinc/42/29/07/585422907.db2.gz VPWSDXWEOXZGOG-UHFFFAOYSA-N 0 3 219.303 3.059 20 30 BGEDHN C#CCN1CCC[C@H]1c1cc(C)ccc1C ZINC000761955757 585423284 /nfs/dbraw/zinc/42/32/84/585423284.db2.gz JQHOMNYGHJNZPX-HNNXBMFYSA-N 0 3 213.324 3.074 20 30 BGEDHN C#CCN1CCC[C@@H]1c1cc(C)ccc1C ZINC000761955787 585423213 /nfs/dbraw/zinc/42/32/13/585423213.db2.gz JQHOMNYGHJNZPX-OAHLLOKOSA-N 0 3 213.324 3.074 20 30 BGEDHN C=CCN(Cc1ccc(OC(C)=O)cc1)C(C)C ZINC000762630247 585434742 /nfs/dbraw/zinc/43/47/42/585434742.db2.gz VMHPPUUYRQETAQ-UHFFFAOYSA-N 0 3 247.338 3.008 20 30 BGEDHN C=C(C)CN1Cc2ccccc2[C@H](C)C1 ZINC000763622692 585451335 /nfs/dbraw/zinc/45/13/35/585451335.db2.gz FKKMMEDMFSPEHZ-GFCCVEGCSA-N 0 3 201.313 3.182 20 30 BGEDHN C=C(C)CN1Cc2ccccc2[C@@H](C)C1 ZINC000763622696 585451416 /nfs/dbraw/zinc/45/14/16/585451416.db2.gz FKKMMEDMFSPEHZ-LBPRGKRZSA-N 0 3 201.313 3.182 20 30 BGEDHN C#CCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000763826580 585455170 /nfs/dbraw/zinc/45/51/70/585455170.db2.gz SQGHDCXJZAJGFO-UHFFFAOYSA-N 0 3 239.721 3.324 20 30 BGEDHN C#CCN(CCCc1cccc(C)c1)C1CC1 ZINC000763943946 585457346 /nfs/dbraw/zinc/45/73/46/585457346.db2.gz GYMYKUQUNMKGBN-UHFFFAOYSA-N 0 3 227.351 3.025 20 30 BGEDHN C#CCN(CCCc1ccccc1C)C1CC1 ZINC000763949166 585457573 /nfs/dbraw/zinc/45/75/73/585457573.db2.gz HQUCSSNYOICKJS-UHFFFAOYSA-N 0 3 227.351 3.025 20 30 BGEDHN C#CCN(CCc1ccc2ccccc2c1)C1CC1 ZINC000763949607 585457678 /nfs/dbraw/zinc/45/76/78/585457678.db2.gz MYUUHKPSVGPBEU-UHFFFAOYSA-N 0 3 249.357 3.480 20 30 BGEDHN C#CCN(CCCC1CCCC1)C1CC1 ZINC000763950033 585457815 /nfs/dbraw/zinc/45/78/15/585457815.db2.gz PPTLCOQNSPVHGO-UHFFFAOYSA-N 0 3 205.345 3.054 20 30 BGEDHN C#CCN(CCCc1ccccc1Cl)C1CC1 ZINC000763950414 585457536 /nfs/dbraw/zinc/45/75/36/585457536.db2.gz UYJMXCVZVGCEPB-UHFFFAOYSA-N 0 3 247.769 3.370 20 30 BGEDHN C#CCN(CCCc1ccc(Cl)cc1)C1CC1 ZINC000763954999 585457900 /nfs/dbraw/zinc/45/79/00/585457900.db2.gz FEMJBOUXVJGLLR-UHFFFAOYSA-N 0 3 247.769 3.370 20 30 BGEDHN C#CCN(CCC1CCCCC1)C1CC1 ZINC000763956124 585457881 /nfs/dbraw/zinc/45/78/81/585457881.db2.gz KRZSBEQHRQHIJF-UHFFFAOYSA-N 0 3 205.345 3.054 20 30 BGEDHN C#CCCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000764229394 585462042 /nfs/dbraw/zinc/46/20/42/585462042.db2.gz APYKESNSUIXBIU-GFCCVEGCSA-N 0 3 227.307 3.449 20 30 BGEDHN C#CCCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000764229396 585462138 /nfs/dbraw/zinc/46/21/38/585462138.db2.gz APYKESNSUIXBIU-LBPRGKRZSA-N 0 3 227.307 3.449 20 30 BGEDHN C#CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000764231211 585462209 /nfs/dbraw/zinc/46/22/09/585462209.db2.gz MICNJHGMYQWRJK-DOMZBBRYSA-N 0 3 243.350 3.391 20 30 BGEDHN C#CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000764231217 585462304 /nfs/dbraw/zinc/46/23/04/585462304.db2.gz MICNJHGMYQWRJK-IUODEOHRSA-N 0 3 243.350 3.391 20 30 BGEDHN C#CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000764231221 585462400 /nfs/dbraw/zinc/46/24/00/585462400.db2.gz MICNJHGMYQWRJK-SWLSCSKDSA-N 0 3 243.350 3.391 20 30 BGEDHN C#CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000764231223 585462268 /nfs/dbraw/zinc/46/22/68/585462268.db2.gz MICNJHGMYQWRJK-WFASDCNBSA-N 0 3 243.350 3.391 20 30 BGEDHN C#CCCN1CCC[C@H]1Cc1ccccc1Cl ZINC000764235375 585462223 /nfs/dbraw/zinc/46/22/23/585462223.db2.gz SKLZIGZOCUMVFN-AWEZNQCLSA-N 0 3 247.769 3.370 20 30 BGEDHN C#CCCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000764235381 585462293 /nfs/dbraw/zinc/46/22/93/585462293.db2.gz SKLZIGZOCUMVFN-CQSZACIVSA-N 0 3 247.769 3.370 20 30 BGEDHN C#CCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000764240448 585462673 /nfs/dbraw/zinc/46/26/73/585462673.db2.gz ILFAZAOKSRTEBD-DZGCQCFKSA-N 0 3 245.391 3.188 20 30 BGEDHN C#CCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000764240462 585462584 /nfs/dbraw/zinc/46/25/84/585462584.db2.gz ILFAZAOKSRTEBD-HIFRSBDPSA-N 0 3 245.391 3.188 20 30 BGEDHN C#CCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000764240465 585462575 /nfs/dbraw/zinc/46/25/75/585462575.db2.gz ILFAZAOKSRTEBD-UKRRQHHQSA-N 0 3 245.391 3.188 20 30 BGEDHN C#CCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000764240468 585462624 /nfs/dbraw/zinc/46/26/24/585462624.db2.gz ILFAZAOKSRTEBD-ZFWWWQNUSA-N 0 3 245.391 3.188 20 30 BGEDHN CC[C@@H](C)CON=Cc1ccc(N(C)C)cc1 ZINC000764542719 585467703 /nfs/dbraw/zinc/46/77/03/585467703.db2.gz CHZJAZLZHBNNSE-GFCCVEGCSA-N 0 3 234.343 3.149 20 30 BGEDHN CC[C@H](C)CON=Cc1ccc(N(C)C)cc1 ZINC000764542720 585467506 /nfs/dbraw/zinc/46/75/06/585467506.db2.gz CHZJAZLZHBNNSE-LBPRGKRZSA-N 0 3 234.343 3.149 20 30 BGEDHN C#CCN(Cc1ccccc1C1CC1)C1CC1 ZINC000764678041 585470731 /nfs/dbraw/zinc/47/07/31/585470731.db2.gz ZTABSAXLYKLEOK-UHFFFAOYSA-N 0 3 225.335 3.162 20 30 BGEDHN C#CCN(C/C(C)=C\c1ccccc1)C1CC1 ZINC000764682738 585470978 /nfs/dbraw/zinc/47/09/78/585470978.db2.gz LKOKLVAGWASSIO-OWBHPGMISA-N 0 3 225.335 3.188 20 30 BGEDHN C#CCN(C/C(C)=C/c1ccccc1)C1CC1 ZINC000764682741 585470857 /nfs/dbraw/zinc/47/08/57/585470857.db2.gz LKOKLVAGWASSIO-WYMLVPIESA-N 0 3 225.335 3.188 20 30 BGEDHN C#CCN(CC(C)(C)c1ccccc1)C1CC1 ZINC000764682759 585470970 /nfs/dbraw/zinc/47/09/70/585470970.db2.gz LVIORSGGXFCZMH-UHFFFAOYSA-N 0 3 227.351 3.062 20 30 BGEDHN C#CCN(C[C@H](CC)c1ccccc1)C1CC1 ZINC000764682960 585470991 /nfs/dbraw/zinc/47/09/91/585470991.db2.gz MUILEMCZUIBJPH-AWEZNQCLSA-N 0 3 227.351 3.278 20 30 BGEDHN C#CCN(C[C@@H](CC)c1ccccc1)C1CC1 ZINC000764682964 585471050 /nfs/dbraw/zinc/47/10/50/585471050.db2.gz MUILEMCZUIBJPH-CQSZACIVSA-N 0 3 227.351 3.278 20 30 BGEDHN C#CCN(CCC#CC)[C@H]1CCc2ccccc21 ZINC000764954375 585478146 /nfs/dbraw/zinc/47/81/46/585478146.db2.gz QTOUTQRHFBCGMZ-KRWDZBQOSA-N 0 3 237.346 3.023 20 30 BGEDHN C#CCN(CCC#CC)[C@@H]1CCc2ccccc21 ZINC000764954380 585478156 /nfs/dbraw/zinc/47/81/56/585478156.db2.gz QTOUTQRHFBCGMZ-QGZVFWFLSA-N 0 3 237.346 3.023 20 30 BGEDHN CC#CCCN1Cc2ccccc2[C@H](C)C1 ZINC000764956552 585478077 /nfs/dbraw/zinc/47/80/77/585478077.db2.gz WAIMLKQAPSPRBT-CYBMUJFWSA-N 0 3 213.324 3.019 20 30 BGEDHN CC#CCCN1Cc2ccccc2[C@@H](C)C1 ZINC000764956553 585478105 /nfs/dbraw/zinc/47/81/05/585478105.db2.gz WAIMLKQAPSPRBT-ZDUSSCGKSA-N 0 3 213.324 3.019 20 30 BGEDHN C#CCCCNc1c(C)cnc2c(C)cccc21 ZINC000765044426 585479999 /nfs/dbraw/zinc/47/99/99/585479999.db2.gz PARQDSYUNSNHDA-UHFFFAOYSA-N 0 3 238.334 3.099 20 30 BGEDHN C#CCCCNc1ccnc2cc(OC)ccc21 ZINC000765511509 585488690 /nfs/dbraw/zinc/48/86/90/585488690.db2.gz YUZZKOSJQGPBAL-UHFFFAOYSA-N 0 3 240.306 3.069 20 30 BGEDHN C=C[C@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000765523795 585488985 /nfs/dbraw/zinc/48/89/85/585488985.db2.gz BRHZMKNAVUPXSX-JTQLQIEISA-N 0 3 228.295 3.230 20 30 BGEDHN C=C[C@@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000765523797 585489039 /nfs/dbraw/zinc/48/90/39/585489039.db2.gz BRHZMKNAVUPXSX-SNVBAGLBSA-N 0 3 228.295 3.230 20 30 BGEDHN C#CCN(Cc1ccc(C)nc1)C1CCCCC1 ZINC000765581846 585490223 /nfs/dbraw/zinc/49/02/23/585490223.db2.gz YFOWPZZORKQZEV-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C=CCOc1ccc(CN(C)CCCF)cc1 ZINC000766004219 585495893 /nfs/dbraw/zinc/49/58/93/585495893.db2.gz ZXKNDQIUFLWCQH-UHFFFAOYSA-N 0 3 237.318 3.043 20 30 BGEDHN CCCCCCCN1CCO[C@H](C)[C@H]1C ZINC000766109659 585497848 /nfs/dbraw/zinc/49/78/48/585497848.db2.gz OUTSYBXFPWMVAB-CHWSQXEVSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCO[C@@H](C)[C@H]1C ZINC000766109687 585497897 /nfs/dbraw/zinc/49/78/97/585497897.db2.gz OUTSYBXFPWMVAB-OLZOCXBDSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCO[C@H](C)[C@@H]1C ZINC000766109688 585497811 /nfs/dbraw/zinc/49/78/11/585497811.db2.gz OUTSYBXFPWMVAB-QWHCGFSZSA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCO[C@@H](C)[C@@H]1C ZINC000766109690 585497722 /nfs/dbraw/zinc/49/77/22/585497722.db2.gz OUTSYBXFPWMVAB-STQMWFEESA-N 0 3 213.365 3.066 20 30 BGEDHN CCCCCCCN1CCOC2(CCC2)C1 ZINC000766267143 585499803 /nfs/dbraw/zinc/49/98/03/585499803.db2.gz SPCFCUGPCUCRMV-UHFFFAOYSA-N 0 3 225.376 3.212 20 30 BGEDHN c1nncn1N=C1CCC(C2CCCCC2)CC1 ZINC000766424871 585502250 /nfs/dbraw/zinc/50/22/50/585502250.db2.gz QRLRHZJHDXNBEW-UHFFFAOYSA-N 0 3 246.358 3.253 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cc(C(C)C)c(C)cc1O ZINC000766665998 585504745 /nfs/dbraw/zinc/50/47/45/585504745.db2.gz NIFYIMUHPQIBQC-CYBMUJFWSA-N 0 3 245.366 3.278 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cc(C(C)C)c(C)cc1O ZINC000766665999 585504739 /nfs/dbraw/zinc/50/47/39/585504739.db2.gz NIFYIMUHPQIBQC-ZDUSSCGKSA-N 0 3 245.366 3.278 20 30 BGEDHN C#CCCCN(Cc1ccccc1F)C(C)C ZINC000766894229 585509406 /nfs/dbraw/zinc/50/94/06/585509406.db2.gz AIXMLVNQBVPFQB-UHFFFAOYSA-N 0 3 233.330 3.450 20 30 BGEDHN C#CCCCN(CC=C)Cc1ccc(OC)cc1 ZINC000766895530 585509239 /nfs/dbraw/zinc/50/92/39/585509239.db2.gz PJSPVZBSKDJXNC-UHFFFAOYSA-N 0 3 243.350 3.097 20 30 BGEDHN C#CCCCN(CCC)Cc1ccccc1F ZINC000766895565 585509313 /nfs/dbraw/zinc/50/93/13/585509313.db2.gz LZVFVLWKLQPVGI-UHFFFAOYSA-N 0 3 233.330 3.451 20 30 BGEDHN C#CCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000766896173 585509812 /nfs/dbraw/zinc/50/98/12/585509812.db2.gz XPFPCBWOBQIIMY-UHFFFAOYSA-N 0 3 249.304 3.343 20 30 BGEDHN C#CCCCN(CC=C)Cc1cccs1 ZINC000766896485 585509760 /nfs/dbraw/zinc/50/97/60/585509760.db2.gz PNVYBSUPLCPSFA-UHFFFAOYSA-N 0 3 219.353 3.150 20 30 BGEDHN C#CCCCN(Cc1ccccc1F)C1CC1 ZINC000766897096 585509653 /nfs/dbraw/zinc/50/96/53/585509653.db2.gz YYGUCNNKXRVRQA-UHFFFAOYSA-N 0 3 231.314 3.204 20 30 BGEDHN C#CCCCN1CCc2cc(F)ccc2[C@H]1C ZINC000766902371 585510394 /nfs/dbraw/zinc/51/03/94/585510394.db2.gz HFXQBMYCBMOBEG-GFCCVEGCSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000766902372 585510268 /nfs/dbraw/zinc/51/02/68/585510268.db2.gz HFXQBMYCBMOBEG-LBPRGKRZSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCCCN1CCc2cccc(F)c2[C@H]1C ZINC000766902541 585510685 /nfs/dbraw/zinc/51/06/85/585510685.db2.gz KHUJNXQWQKOCQZ-GFCCVEGCSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCCCN1CCc2cccc(F)c2[C@@H]1C ZINC000766902542 585510861 /nfs/dbraw/zinc/51/08/61/585510861.db2.gz KHUJNXQWQKOCQZ-LBPRGKRZSA-N 0 3 231.314 3.158 20 30 BGEDHN C#CCCCN1CCc2c(Cl)cccc2C1 ZINC000766902658 585510711 /nfs/dbraw/zinc/51/07/11/585510711.db2.gz MPSBNPJACCXRTB-UHFFFAOYSA-N 0 3 233.742 3.112 20 30 BGEDHN C#CCCCN(CCC#N)CC(CC)CC ZINC000766902725 585510678 /nfs/dbraw/zinc/51/06/78/585510678.db2.gz MWHBQEQCJHHPET-UHFFFAOYSA-N 0 3 220.360 3.052 20 30 BGEDHN C#CCCCN1CCS[C@H](c2ccccc2)C1 ZINC000766904656 585510923 /nfs/dbraw/zinc/51/09/23/585510923.db2.gz ARPSGBCSSWINOH-HNNXBMFYSA-N 0 3 245.391 3.190 20 30 BGEDHN C#CCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000766904664 585510748 /nfs/dbraw/zinc/51/07/48/585510748.db2.gz ARPSGBCSSWINOH-OAHLLOKOSA-N 0 3 245.391 3.190 20 30 BGEDHN C#CCCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000766940130 585512125 /nfs/dbraw/zinc/51/21/25/585512125.db2.gz KNUDPFBMWRTUHA-UHFFFAOYSA-N 0 3 239.721 3.324 20 30 BGEDHN CC/C=C/CCN(CCC#N)CC(C)C ZINC000767327235 585516777 /nfs/dbraw/zinc/51/67/77/585516777.db2.gz KXFJDJOIGJOFCQ-AATRIKPKSA-N 0 3 208.349 3.214 20 30 BGEDHN CC/C=C\CCN(CCC#N)CC(C)C ZINC000767327248 585516619 /nfs/dbraw/zinc/51/66/19/585516619.db2.gz KXFJDJOIGJOFCQ-WAYWQWQTSA-N 0 3 208.349 3.214 20 30 BGEDHN C#C[C@@H](C)N(C)c1ccnc2ccc(C)cc21 ZINC000767441105 585520232 /nfs/dbraw/zinc/52/02/32/585520232.db2.gz YGAWHPVTTCWLNQ-GFCCVEGCSA-N 0 3 224.307 3.001 20 30 BGEDHN C#C[C@H](C)N(C)c1ccnc2ccc(C)cc21 ZINC000767441106 585520244 /nfs/dbraw/zinc/52/02/44/585520244.db2.gz YGAWHPVTTCWLNQ-LBPRGKRZSA-N 0 3 224.307 3.001 20 30 BGEDHN CCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000767462407 585520521 /nfs/dbraw/zinc/52/05/21/585520521.db2.gz JZJKADIBZJYZRT-SXTJVRLHSA-N 0 3 244.338 3.320 20 30 BGEDHN CCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000767462408 585520589 /nfs/dbraw/zinc/52/05/89/585520589.db2.gz JZJKADIBZJYZRT-YHOZCFCWSA-N 0 3 244.338 3.320 20 30 BGEDHN CCON=Cc1ccccc1N1CCCCC1 ZINC000767468094 585520796 /nfs/dbraw/zinc/52/07/96/585520796.db2.gz AOYZXKODQSFKGL-UHFFFAOYSA-N 0 3 232.327 3.047 20 30 BGEDHN CCON=Cc1ccc(N2CCCCC2)cc1 ZINC000767470324 585520942 /nfs/dbraw/zinc/52/09/42/585520942.db2.gz VPTOZGBUXHLFFR-UHFFFAOYSA-N 0 3 232.327 3.047 20 30 BGEDHN CCON=C(C)c1ccc(N2CCCCC2)cc1 ZINC000767470325 585520876 /nfs/dbraw/zinc/52/08/76/585520876.db2.gz VQNBBXYAKMDKHX-UHFFFAOYSA-N 0 3 246.354 3.437 20 30 BGEDHN CON=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000767490685 585520955 /nfs/dbraw/zinc/52/09/55/585520955.db2.gz ILJSUJDDRJLDFW-UHFFFAOYSA-N 0 3 246.354 3.437 20 30 BGEDHN CCCN(CCC)c1ccc(C=NOC)cc1 ZINC000767491692 585521371 /nfs/dbraw/zinc/52/13/71/585521371.db2.gz RCEZUHRNPHJWOH-UHFFFAOYSA-N 0 3 234.343 3.293 20 30 BGEDHN CON=C(C)c1ccc(N2CCCCC2)cc1 ZINC000767493305 585521386 /nfs/dbraw/zinc/52/13/86/585521386.db2.gz ZTITVEBHBCZENP-UHFFFAOYSA-N 0 3 232.327 3.047 20 30 BGEDHN C#CCOc1ccccc1CN1CCCCCC1 ZINC000768138344 585532829 /nfs/dbraw/zinc/53/28/29/585532829.db2.gz JEQWYLKMPKRGDE-UHFFFAOYSA-N 0 3 243.350 3.075 20 30 BGEDHN C=C(C)C[N@H+](CC)Cc1ccc(OCC)cc1[O-] ZINC000768139653 585532811 /nfs/dbraw/zinc/53/28/11/585532811.db2.gz GANJWCAPJGEAPF-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=C(C)C[N@@H+](CC)Cc1ccc(OCC)cc1[O-] ZINC000768139653 585532810 /nfs/dbraw/zinc/53/28/10/585532810.db2.gz GANJWCAPJGEAPF-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc2c(c1)COC2 ZINC000768140334 585532995 /nfs/dbraw/zinc/53/29/95/585532995.db2.gz NLTNALOJGODUAI-UHFFFAOYSA-N 0 3 231.339 3.115 20 30 BGEDHN C#CCOc1ccccc1CN(CC)CC(=C)C ZINC000768140652 585532591 /nfs/dbraw/zinc/53/25/91/585532591.db2.gz RHHWHPDQFARHDD-UHFFFAOYSA-N 0 3 243.350 3.097 20 30 BGEDHN C#CCOc1ccc(CN(CC)CC(=C)C)cc1 ZINC000768140712 585533001 /nfs/dbraw/zinc/53/30/01/585533001.db2.gz UUMFSXKXCCSEBH-UHFFFAOYSA-N 0 3 243.350 3.097 20 30 BGEDHN C=C(C)CN(CC)Cc1cnc(Cl)c(C)c1 ZINC000768140867 585532843 /nfs/dbraw/zinc/53/28/43/585532843.db2.gz XXZCWOXEMXYCKB-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN CC(C)CN(CCC#N)CC(C)(C)CCC#N ZINC000768153930 585533221 /nfs/dbraw/zinc/53/32/21/585533221.db2.gz QKTFUSXBNXTSMW-UHFFFAOYSA-N 0 3 235.375 3.188 20 30 BGEDHN C#CCOc1ccccc1CN(CCC)C1CC1 ZINC000768292309 585535569 /nfs/dbraw/zinc/53/55/69/585535569.db2.gz YVVFPPZCOKBIEC-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCOc1ccccc1CN(C)[C@@H](C)CCC ZINC000768337940 585536117 /nfs/dbraw/zinc/53/61/17/585536117.db2.gz JQKZLBZDUPHELS-AWEZNQCLSA-N 0 3 245.366 3.319 20 30 BGEDHN C#CCOc1ccccc1CN(C)[C@H](C)CCC ZINC000768337942 585536002 /nfs/dbraw/zinc/53/60/02/585536002.db2.gz JQKZLBZDUPHELS-CQSZACIVSA-N 0 3 245.366 3.319 20 30 BGEDHN C=CC[N@H+](Cc1cc(OC)c(C)cc1[O-])C(C)C ZINC000768442549 585538595 /nfs/dbraw/zinc/53/85/95/585538595.db2.gz LOPQVWKMDJYDRP-UHFFFAOYSA-N 0 3 249.354 3.106 20 30 BGEDHN C=CC[N@@H+](Cc1cc(OC)c(C)cc1[O-])C(C)C ZINC000768442549 585538594 /nfs/dbraw/zinc/53/85/94/585538594.db2.gz LOPQVWKMDJYDRP-UHFFFAOYSA-N 0 3 249.354 3.106 20 30 BGEDHN C#CCN(CC)Cc1ccc(Cl)cc1C ZINC000768508967 585539266 /nfs/dbraw/zinc/53/92/66/585539266.db2.gz KPIHLSJDVXJDSN-UHFFFAOYSA-N 0 3 221.731 3.104 20 30 BGEDHN CC(C)C[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000768541788 585539954 /nfs/dbraw/zinc/53/99/54/585539954.db2.gz AFLOFEFRBMNIFL-LLVKDONJSA-N 0 3 236.384 3.486 20 30 BGEDHN CC(C)C[C@H](C)N(C)Cc1cc(C#N)cs1 ZINC000768541790 585539761 /nfs/dbraw/zinc/53/97/61/585539761.db2.gz AFLOFEFRBMNIFL-NSHDSACASA-N 0 3 236.384 3.486 20 30 BGEDHN C#CCOc1ccccc1CN(CC=C)C(C)C ZINC000768546351 585540139 /nfs/dbraw/zinc/54/01/39/585540139.db2.gz AOSXWDCASHWPRL-UHFFFAOYSA-N 0 3 243.350 3.095 20 30 BGEDHN C=CCN(Cc1cc(C)oc1C)C(C)C ZINC000768546428 585539887 /nfs/dbraw/zinc/53/98/87/585539887.db2.gz AVOXHCUMLBDNSG-UHFFFAOYSA-N 0 3 207.317 3.293 20 30 BGEDHN C=CCN(Cc1cc(F)cc(F)c1)C(C)C ZINC000768546710 585540160 /nfs/dbraw/zinc/54/01/60/585540160.db2.gz CRGMVMUWRBMRFD-UHFFFAOYSA-N 0 3 225.282 3.361 20 30 BGEDHN C=CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000768546718 585540011 /nfs/dbraw/zinc/54/00/11/585540011.db2.gz CUYVGRVZZSGWQJ-UHFFFAOYSA-N 0 3 248.326 3.300 20 30 BGEDHN C=CCN(Cc1cnc2cccc(C)n12)C(C)C ZINC000768546759 585539755 /nfs/dbraw/zinc/53/97/55/585539755.db2.gz FFMCUBGJXZQVRF-UHFFFAOYSA-N 0 3 243.354 3.039 20 30 BGEDHN C=CCN(Cc1ccc(CC)o1)C(C)C ZINC000768547422 585539750 /nfs/dbraw/zinc/53/97/50/585539750.db2.gz LTRPCMBDLGCMPI-UHFFFAOYSA-N 0 3 207.317 3.238 20 30 BGEDHN C=CCN(Cc1c(C)nn(CCC)c1C)C(C)C ZINC000768547793 585539957 /nfs/dbraw/zinc/53/99/57/585539957.db2.gz PFMHHWILUKNFIY-UHFFFAOYSA-N 0 3 249.402 3.306 20 30 BGEDHN C=CCN(Cc1ccc2c(c1)COC2)C(C)C ZINC000768547818 585539806 /nfs/dbraw/zinc/53/98/06/585539806.db2.gz QOHSQEUSDCMIDN-UHFFFAOYSA-N 0 3 231.339 3.113 20 30 BGEDHN C=CCN(Cc1cnc2c(C)cccn12)C(C)C ZINC000768547830 585540036 /nfs/dbraw/zinc/54/00/36/585540036.db2.gz QZCHNVAYJSGQKO-UHFFFAOYSA-N 0 3 243.354 3.039 20 30 BGEDHN C=CCN(Cc1cnc(Cl)c(C)c1)C(C)C ZINC000768547834 585540466 /nfs/dbraw/zinc/54/04/66/585540466.db2.gz RDBZZCDMGIWUFA-UHFFFAOYSA-N 0 3 238.762 3.440 20 30 BGEDHN C=CCN(Cc1cccc(OCC)c1)C(C)C ZINC000768547837 585540428 /nfs/dbraw/zinc/54/04/28/585540428.db2.gz REGYGGJRFCKVFP-UHFFFAOYSA-N 0 3 233.355 3.482 20 30 BGEDHN C=CC[N@H+](Cc1cccc(OCC)c1[O-])C(C)C ZINC000768547858 585540281 /nfs/dbraw/zinc/54/02/81/585540281.db2.gz SFZNIMROROYDEL-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C=CC[N@@H+](Cc1cccc(OCC)c1[O-])C(C)C ZINC000768547858 585540280 /nfs/dbraw/zinc/54/02/80/585540280.db2.gz SFZNIMROROYDEL-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C#CCOc1ccc(CN(CC=C)C(C)C)cc1 ZINC000768547992 585540191 /nfs/dbraw/zinc/54/01/91/585540191.db2.gz UYYYBQCOGOLVEU-UHFFFAOYSA-N 0 3 243.350 3.095 20 30 BGEDHN C=CC[N@@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000768548183 585540330 /nfs/dbraw/zinc/54/03/30/585540330.db2.gz XYLAOHFPJIZVGM-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000768548183 585540329 /nfs/dbraw/zinc/54/03/29/585540329.db2.gz XYLAOHFPJIZVGM-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@H+](Cc1ccc(OCC)cc1[O-])C(C)C ZINC000768548267 585540229 /nfs/dbraw/zinc/54/02/29/585540229.db2.gz ZMRSJYOCSYPMMT-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C=CC[N@@H+](Cc1ccc(OCC)cc1[O-])C(C)C ZINC000768548267 585540228 /nfs/dbraw/zinc/54/02/28/585540228.db2.gz ZMRSJYOCSYPMMT-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C=CCN(Cc1cnc2ccc(C)cn12)C(C)C ZINC000768549928 585540215 /nfs/dbraw/zinc/54/02/15/585540215.db2.gz GLLJJPZOLANRLP-UHFFFAOYSA-N 0 3 243.354 3.039 20 30 BGEDHN C=CCN(Cc1ccccc1NC(C)=O)C(C)C ZINC000768549959 585540247 /nfs/dbraw/zinc/54/02/47/585540247.db2.gz HFNABLIWKNVEJN-UHFFFAOYSA-N 0 3 246.354 3.041 20 30 BGEDHN C=CCN(Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000768550249 585540225 /nfs/dbraw/zinc/54/02/25/585540225.db2.gz IMUPLXDFKGMYIF-UHFFFAOYSA-N 0 3 235.375 3.035 20 30 BGEDHN C=CCN(Cc1cc(C#N)cs1)C(C)C ZINC000768551744 585540425 /nfs/dbraw/zinc/54/04/25/585540425.db2.gz SSZJVXCNOKRWGZ-UHFFFAOYSA-N 0 3 220.341 3.016 20 30 BGEDHN C=CC[N@H+](Cc1cc(OCC)ccc1[O-])C(C)C ZINC000768551754 585540411 /nfs/dbraw/zinc/54/04/11/585540411.db2.gz SZVZZSHPRKWGRH-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C=CC[N@@H+](Cc1cc(OCC)ccc1[O-])C(C)C ZINC000768551754 585540410 /nfs/dbraw/zinc/54/04/10/585540410.db2.gz SZVZZSHPRKWGRH-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN C#CCOc1ccccc1CN(C)CC(C)(C)C ZINC000768938390 585546358 /nfs/dbraw/zinc/54/63/58/585546358.db2.gz ZCCQBLOLLJFJHF-UHFFFAOYSA-N 0 3 245.366 3.177 20 30 BGEDHN C#CCN(CC)C/C=C/c1ccc(Cl)cc1 ZINC000769106027 585549061 /nfs/dbraw/zinc/54/90/61/585549061.db2.gz PRXRMCVTODGVMP-AATRIKPKSA-N 0 3 233.742 3.308 20 30 BGEDHN C#CCN(CC)C/C=C\c1ccc(Cl)cc1 ZINC000769106120 585549054 /nfs/dbraw/zinc/54/90/54/585549054.db2.gz PRXRMCVTODGVMP-WAYWQWQTSA-N 0 3 233.742 3.308 20 30 BGEDHN C#CCN(CC)Cc1cc2ccccc2s1 ZINC000769108030 585549117 /nfs/dbraw/zinc/54/91/17/585549117.db2.gz XACZUJBBAIYYGI-UHFFFAOYSA-N 0 3 229.348 3.356 20 30 BGEDHN C#CCN(CC)C[C@H](CC)c1ccccc1 ZINC000769108069 585549058 /nfs/dbraw/zinc/54/90/58/585549058.db2.gz XUUNDEASTLXCCP-AWEZNQCLSA-N 0 3 215.340 3.135 20 30 BGEDHN C#CCN(CC)C[C@@H](CC)c1ccccc1 ZINC000769108070 585549071 /nfs/dbraw/zinc/54/90/71/585549071.db2.gz XUUNDEASTLXCCP-CQSZACIVSA-N 0 3 215.340 3.135 20 30 BGEDHN C#CCN(CC)Cc1ccc(OCC(C)C)cc1 ZINC000769108462 585549283 /nfs/dbraw/zinc/54/92/83/585549283.db2.gz ZOPHNNRTJILLBQ-UHFFFAOYSA-N 0 3 245.366 3.177 20 30 BGEDHN C#CCN(CC)Cc1ccccc1C1CC1 ZINC000769110773 585549359 /nfs/dbraw/zinc/54/93/59/585549359.db2.gz HIFKSYMLPFJFPL-UHFFFAOYSA-N 0 3 213.324 3.019 20 30 BGEDHN C#CCN(CC)Cc1c(C)oc2ccccc21 ZINC000769110965 585549403 /nfs/dbraw/zinc/54/94/03/585549403.db2.gz KSISALXDIWKFIJ-UHFFFAOYSA-N 0 3 227.307 3.196 20 30 BGEDHN C#CCN(CC)C/C(C)=C\c1ccccc1 ZINC000769111022 585549400 /nfs/dbraw/zinc/54/94/00/585549400.db2.gz LEDSZWXAPGPHTR-OWBHPGMISA-N 0 3 213.324 3.045 20 30 BGEDHN C#CCN(CC)C/C(C)=C/c1ccccc1 ZINC000769111024 585549350 /nfs/dbraw/zinc/54/93/50/585549350.db2.gz LEDSZWXAPGPHTR-WYMLVPIESA-N 0 3 213.324 3.045 20 30 BGEDHN C#CCN(Cc1cccc(O)c1)C1CCCCC1 ZINC000769145259 585549916 /nfs/dbraw/zinc/54/99/16/585549916.db2.gz GPEDDDDVCDBLPW-UHFFFAOYSA-N 0 3 243.350 3.160 20 30 BGEDHN C#CCN(Cc1cccnc1C)C1CCCCC1 ZINC000769146311 585550156 /nfs/dbraw/zinc/55/01/56/585550156.db2.gz SJGFFYAMKMRJDZ-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCN(Cc1ccc(C)o1)C1CCCCC1 ZINC000769146389 585550074 /nfs/dbraw/zinc/55/00/74/585550074.db2.gz USPAIBUSOGHKJG-UHFFFAOYSA-N 0 3 231.339 3.356 20 30 BGEDHN C#CCN(Cc1occc1C)C1CCCCC1 ZINC000769146437 585550038 /nfs/dbraw/zinc/55/00/38/585550038.db2.gz YSYTTWIGNFJPRB-UHFFFAOYSA-N 0 3 231.339 3.356 20 30 BGEDHN N#CC1CCN(Cc2ccccc2C2CC2)CC1 ZINC000769192662 585550894 /nfs/dbraw/zinc/55/08/94/585550894.db2.gz PIZDBFMUVIHHTD-UHFFFAOYSA-N 0 3 240.350 3.300 20 30 BGEDHN C#CCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229072 585551344 /nfs/dbraw/zinc/55/13/44/585551344.db2.gz VIUZDODNCCLPKK-GFCCVEGCSA-N 0 3 249.304 3.168 20 30 BGEDHN C#CCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000769229073 585551263 /nfs/dbraw/zinc/55/12/63/585551263.db2.gz VIUZDODNCCLPKK-LBPRGKRZSA-N 0 3 249.304 3.168 20 30 BGEDHN C=C1CCN(Cc2cncc3ccccc32)CC1 ZINC000769337036 585554201 /nfs/dbraw/zinc/55/42/01/585554201.db2.gz BMONKUXJDANIIH-UHFFFAOYSA-N 0 3 238.334 3.387 20 30 BGEDHN C=C1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000769339633 585554407 /nfs/dbraw/zinc/55/44/07/585554407.db2.gz UOYDTOONIFLGDZ-UHFFFAOYSA-N 0 3 231.339 3.161 20 30 BGEDHN C=C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000769339633 585554406 /nfs/dbraw/zinc/55/44/06/585554406.db2.gz UOYDTOONIFLGDZ-UHFFFAOYSA-N 0 3 231.339 3.161 20 30 BGEDHN C=CC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769401087 585555561 /nfs/dbraw/zinc/55/55/61/585555561.db2.gz DCWBSEDYRVJTOA-UHFFFAOYSA-N 0 3 243.350 3.115 20 30 BGEDHN C=CCCC[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000769462002 585557763 /nfs/dbraw/zinc/55/77/63/585557763.db2.gz FANIYUULXRAVAS-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000769462002 585557762 /nfs/dbraw/zinc/55/77/62/585557762.db2.gz FANIYUULXRAVAS-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=CCCCN(C)Cc1cnc(Cl)c(C)c1 ZINC000769463195 585557463 /nfs/dbraw/zinc/55/74/63/585557463.db2.gz OCACJGQSDYHEPE-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN C#CCOc1ccccc1CN(CC)C1CCC1 ZINC000769466550 585557936 /nfs/dbraw/zinc/55/79/36/585557936.db2.gz LORXWLCMOHBYAJ-UHFFFAOYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCN(Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000769529853 585558770 /nfs/dbraw/zinc/55/87/70/585558770.db2.gz GVKVFSFCHDDZPT-UHFFFAOYSA-N 0 3 249.304 3.343 20 30 BGEDHN C#CCN(Cc1ccc(C)s1)C1CCCC1 ZINC000769530409 585558829 /nfs/dbraw/zinc/55/88/29/585558829.db2.gz NVJARKSSBLCHQW-UHFFFAOYSA-N 0 3 233.380 3.434 20 30 BGEDHN C#CCN(Cc1sccc1C)C1CCCC1 ZINC000769531071 585558681 /nfs/dbraw/zinc/55/86/81/585558681.db2.gz RDVHFSUONHYPFK-UHFFFAOYSA-N 0 3 233.380 3.434 20 30 BGEDHN C#CCN(Cc1ccc(CC)o1)C1CCCC1 ZINC000769531661 585559130 /nfs/dbraw/zinc/55/91/30/585559130.db2.gz VLWOYHFJRQMFJQ-UHFFFAOYSA-N 0 3 231.339 3.220 20 30 BGEDHN CC(=NNC1CCCC1)c1ccccc1N(C)C ZINC000769573426 585559522 /nfs/dbraw/zinc/55/95/22/585559522.db2.gz CZWBMGZLQFRLKB-UHFFFAOYSA-N 0 3 245.370 3.009 20 30 BGEDHN CCC(CC)NN=C(C)c1ccccc1N(C)C ZINC000769586258 585560047 /nfs/dbraw/zinc/56/00/47/585560047.db2.gz PGLDEVXCODKYQY-UHFFFAOYSA-N 0 3 247.386 3.255 20 30 BGEDHN C#CCCCN(C)Cc1cc(Cl)ccc1F ZINC000769855730 585565312 /nfs/dbraw/zinc/56/53/12/585565312.db2.gz ROIGIQXGDIYDLS-UHFFFAOYSA-N 0 3 239.721 3.324 20 30 BGEDHN C=CCCCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000769936540 585566882 /nfs/dbraw/zinc/56/68/82/585566882.db2.gz LOUNKSAVEPPSOG-UHFFFAOYSA-N 0 3 249.354 3.237 20 30 BGEDHN C=CCCCC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000769936596 585566895 /nfs/dbraw/zinc/56/68/95/585566895.db2.gz MLRGTLPTHDUYML-UHFFFAOYSA-N 0 3 233.355 3.455 20 30 BGEDHN C=CCCCC[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000769937556 585566791 /nfs/dbraw/zinc/56/67/91/585566791.db2.gz WURAMROCLWWJMH-UHFFFAOYSA-N 0 3 249.354 3.237 20 30 BGEDHN Cc1cccc(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000769940727 585567050 /nfs/dbraw/zinc/56/70/50/585567050.db2.gz AZONEQKDRDVTMJ-KBPBESRZSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cccc(C)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000769940729 585567008 /nfs/dbraw/zinc/56/70/08/585567008.db2.gz AZONEQKDRDVTMJ-KGLIPLIRSA-N 0 3 228.339 3.085 20 30 BGEDHN Cc1cccc(C)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000769940731 585566836 /nfs/dbraw/zinc/56/68/36/585566836.db2.gz AZONEQKDRDVTMJ-ZIAGYGMSSA-N 0 3 228.339 3.085 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(CCC)cc1 ZINC000769953272 585567106 /nfs/dbraw/zinc/56/71/06/585567106.db2.gz JRCJQFXQNYCRBC-CYBMUJFWSA-N 0 3 215.340 3.093 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(CCC)cc1 ZINC000769953276 585567334 /nfs/dbraw/zinc/56/73/34/585567334.db2.gz JRCJQFXQNYCRBC-ZDUSSCGKSA-N 0 3 215.340 3.093 20 30 BGEDHN C#CCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954719 585567130 /nfs/dbraw/zinc/56/71/30/585567130.db2.gz TYTVKSNWYQFWRD-NEPJUHHUSA-N 0 3 231.314 3.157 20 30 BGEDHN C#CCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769954721 585567066 /nfs/dbraw/zinc/56/70/66/585567066.db2.gz TYTVKSNWYQFWRD-NWDGAFQWSA-N 0 3 231.314 3.157 20 30 BGEDHN C#CCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954723 585567111 /nfs/dbraw/zinc/56/71/11/585567111.db2.gz TYTVKSNWYQFWRD-RYUDHWBXSA-N 0 3 231.314 3.157 20 30 BGEDHN C#CCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769954724 585567328 /nfs/dbraw/zinc/56/73/28/585567328.db2.gz TYTVKSNWYQFWRD-VXGBXAGGSA-N 0 3 231.314 3.157 20 30 BGEDHN C#C[C@H](C)N(C)CCCOc1cc(C)ccc1C ZINC000769960596 585567425 /nfs/dbraw/zinc/56/74/25/585567425.db2.gz DSRISKCQLQXKRA-HNNXBMFYSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@@H](C)N(C)CCCOc1cc(C)ccc1C ZINC000769960601 585567715 /nfs/dbraw/zinc/56/77/15/585567715.db2.gz DSRISKCQLQXKRA-OAHLLOKOSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@H](C)N(C)Cc1c(C)cc(C)cc1C ZINC000769960886 585567501 /nfs/dbraw/zinc/56/75/01/585567501.db2.gz CJHFPSIMBKSGEF-AWEZNQCLSA-N 0 3 215.340 3.065 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1c(C)cc(C)cc1C ZINC000769960889 585567720 /nfs/dbraw/zinc/56/77/20/585567720.db2.gz CJHFPSIMBKSGEF-CQSZACIVSA-N 0 3 215.340 3.065 20 30 BGEDHN C#C[C@@H](C)N(C)C/C=C/c1ccc(Cl)cc1 ZINC000769961002 585567710 /nfs/dbraw/zinc/56/77/10/585567710.db2.gz KOGQBKLMMKIKCR-BTDICHCPSA-N 0 3 233.742 3.307 20 30 BGEDHN C#C[C@H](C)N(C)C/C=C\c1ccc(Cl)cc1 ZINC000769961003 585567588 /nfs/dbraw/zinc/56/75/88/585567588.db2.gz KOGQBKLMMKIKCR-FJOGCWAESA-N 0 3 233.742 3.307 20 30 BGEDHN C#C[C@@H](C)N(C)C/C=C\c1ccc(Cl)cc1 ZINC000769961004 585567656 /nfs/dbraw/zinc/56/76/56/585567656.db2.gz KOGQBKLMMKIKCR-FOQNGQEVSA-N 0 3 233.742 3.307 20 30 BGEDHN C#C[C@H](C)N(C)C/C=C/c1ccc(Cl)cc1 ZINC000769961005 585566855 /nfs/dbraw/zinc/56/68/55/585566855.db2.gz KOGQBKLMMKIKCR-FYJFLYSWSA-N 0 3 233.742 3.307 20 30 BGEDHN C#CCCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000769961259 585567412 /nfs/dbraw/zinc/56/74/12/585567412.db2.gz IYDJPNDSSMRFCN-UHFFFAOYSA-N 0 3 239.362 3.416 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000769961716 585567670 /nfs/dbraw/zinc/56/76/70/585567670.db2.gz STPGRXQIIJLCCH-CYBMUJFWSA-N 0 3 223.319 3.293 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000769961722 585567685 /nfs/dbraw/zinc/56/76/85/585567685.db2.gz STPGRXQIIJLCCH-ZDUSSCGKSA-N 0 3 223.319 3.293 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000769962010 585567358 /nfs/dbraw/zinc/56/73/58/585567358.db2.gz OJMQCHWCQDFXDU-JTQLQIEISA-N 0 3 241.256 3.159 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000769962011 585567337 /nfs/dbraw/zinc/56/73/37/585567337.db2.gz OJMQCHWCQDFXDU-SNVBAGLBSA-N 0 3 241.256 3.159 20 30 BGEDHN C#C[C@@H](C)N(C)CCCc1ccccc1Cl ZINC000769962025 585567666 /nfs/dbraw/zinc/56/76/66/585567666.db2.gz PHJLKRHQMUEDQQ-GFCCVEGCSA-N 0 3 235.758 3.226 20 30 BGEDHN C#C[C@H](C)N(C)CCCc1ccccc1Cl ZINC000769962035 585567398 /nfs/dbraw/zinc/56/73/98/585567398.db2.gz PHJLKRHQMUEDQQ-LBPRGKRZSA-N 0 3 235.758 3.226 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cc2ccccc2s1 ZINC000769962154 585567730 /nfs/dbraw/zinc/56/77/30/585567730.db2.gz RZESGVBIQNTMNC-LLVKDONJSA-N 0 3 229.348 3.355 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cc2ccccc2s1 ZINC000769962157 585567429 /nfs/dbraw/zinc/56/74/29/585567429.db2.gz RZESGVBIQNTMNC-NSHDSACASA-N 0 3 229.348 3.355 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1csc2ccccc12 ZINC000769962173 585567688 /nfs/dbraw/zinc/56/76/88/585567688.db2.gz ZJPOQNJUPQGTGA-LLVKDONJSA-N 0 3 229.348 3.355 20 30 BGEDHN C#C[C@H](C)N(C)Cc1csc2ccccc12 ZINC000769962177 585567516 /nfs/dbraw/zinc/56/75/16/585567516.db2.gz ZJPOQNJUPQGTGA-NSHDSACASA-N 0 3 229.348 3.355 20 30 BGEDHN C#C[C@H](C)N(C)CCc1ccc2ccccc2c1 ZINC000769962210 585567567 /nfs/dbraw/zinc/56/75/67/585567567.db2.gz CLMPRNXFSBUVJX-AWEZNQCLSA-N 0 3 237.346 3.336 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962929 585567935 /nfs/dbraw/zinc/56/79/35/585567935.db2.gz LOFIYOUUANRFCV-JTQLQIEISA-N 0 3 241.256 3.159 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962931 585567971 /nfs/dbraw/zinc/56/79/71/585567971.db2.gz LOFIYOUUANRFCV-SNVBAGLBSA-N 0 3 241.256 3.159 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(Cl)cc1C ZINC000769963630 584974237 /nfs/dbraw/zinc/97/42/37/584974237.db2.gz YZEOQVRYKSQVIF-LLVKDONJSA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(Cl)cc1C ZINC000769963631 584974209 /nfs/dbraw/zinc/97/42/09/584974209.db2.gz YZEOQVRYKSQVIF-NSHDSACASA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@H](C)N(C)CCCOc1cc(C)cc(C)c1 ZINC000769975302 585568426 /nfs/dbraw/zinc/56/84/26/585568426.db2.gz CHHXUINYPGTBMT-HNNXBMFYSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@@H](C)N(C)CCCOc1cc(C)cc(C)c1 ZINC000769975304 585568147 /nfs/dbraw/zinc/56/81/47/585568147.db2.gz CHHXUINYPGTBMT-OAHLLOKOSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@H](C)N(C)CCCOc1ccc(C)c(C)c1 ZINC000769975416 585568286 /nfs/dbraw/zinc/56/82/86/585568286.db2.gz GAUIVJNBRVJVSR-HNNXBMFYSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@@H](C)N(C)CCCOc1ccc(C)c(C)c1 ZINC000769975417 585568259 /nfs/dbraw/zinc/56/82/59/585568259.db2.gz GAUIVJNBRVJVSR-OAHLLOKOSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@H](C)N(C)CCSc1ccc(C)c(C)c1 ZINC000769975671 585568482 /nfs/dbraw/zinc/56/84/82/585568482.db2.gz GSNBEJXNIWZDFD-AWEZNQCLSA-N 0 3 247.407 3.349 20 30 BGEDHN C#C[C@@H](C)N(C)CCSc1ccc(C)c(C)c1 ZINC000769975672 585568210 /nfs/dbraw/zinc/56/82/10/585568210.db2.gz GSNBEJXNIWZDFD-CQSZACIVSA-N 0 3 247.407 3.349 20 30 BGEDHN C#C[C@H](C)N(C)CCCSCc1ccccc1 ZINC000769977258 585568276 /nfs/dbraw/zinc/56/82/76/585568276.db2.gz CISYQEUVFWONHB-AWEZNQCLSA-N 0 3 247.407 3.263 20 30 BGEDHN C#C[C@@H](C)N(C)CCCSCc1ccccc1 ZINC000769977260 585568349 /nfs/dbraw/zinc/56/83/49/585568349.db2.gz CISYQEUVFWONHB-CQSZACIVSA-N 0 3 247.407 3.263 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000769977587 585568310 /nfs/dbraw/zinc/56/83/10/585568310.db2.gz MBSLZWQQJWWLAE-CYBMUJFWSA-N 0 3 215.340 3.264 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000769977588 585568207 /nfs/dbraw/zinc/56/82/07/585568207.db2.gz MBSLZWQQJWWLAE-ZDUSSCGKSA-N 0 3 215.340 3.264 20 30 BGEDHN C#C[C@H](C)N(C)CCCOc1c(C)cccc1C ZINC000769978276 585568109 /nfs/dbraw/zinc/56/81/09/585568109.db2.gz VELWXTGOFZACRD-HNNXBMFYSA-N 0 3 245.366 3.026 20 30 BGEDHN C#C[C@@H](C)N(C)CCCOc1c(C)cccc1C ZINC000769978278 585568123 /nfs/dbraw/zinc/56/81/23/585568123.db2.gz VELWXTGOFZACRD-OAHLLOKOSA-N 0 3 245.366 3.026 20 30 BGEDHN C#CCN(CC)Cc1cccc(SCC)c1 ZINC000770637096 585578343 /nfs/dbraw/zinc/57/83/43/585578343.db2.gz XEIHUVOFAARDND-UHFFFAOYSA-N 0 3 233.380 3.254 20 30 BGEDHN C#CCCN1CC=C(c2cccc(C)c2)CC1 ZINC000771466091 585594512 /nfs/dbraw/zinc/59/45/12/585594512.db2.gz ZIWIWNLOHIMKIC-UHFFFAOYSA-N 0 3 225.335 3.107 20 30 BGEDHN CCC(=NNCC(C)C)c1ccc(N(C)C)cc1 ZINC000771557355 585596050 /nfs/dbraw/zinc/59/60/50/585596050.db2.gz CMDWIONWDSJMTK-UHFFFAOYSA-N 0 3 247.386 3.112 20 30 BGEDHN CCN(C)c1ccc(C(C)=NNCC(C)C)cc1 ZINC000771566962 585004437 /nfs/dbraw/zinc/00/44/37/585004437.db2.gz LIMJCKGCGWFKFY-UHFFFAOYSA-N 0 3 247.386 3.112 20 30 BGEDHN C=CC[N@H+](Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000771639590 585598322 /nfs/dbraw/zinc/59/83/22/585598322.db2.gz IIBNDAZEUPKZKM-UHFFFAOYSA-N 0 3 231.339 3.159 20 30 BGEDHN C=CC[N@@H+](Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000771639590 585598321 /nfs/dbraw/zinc/59/83/21/585598321.db2.gz IIBNDAZEUPKZKM-UHFFFAOYSA-N 0 3 231.339 3.159 20 30 BGEDHN C=CCN(Cc1cc(C)cc(C)c1O)C1CC1 ZINC000771640232 585598279 /nfs/dbraw/zinc/59/82/79/585598279.db2.gz FBSFPDMULCNMMF-UHFFFAOYSA-N 0 3 231.339 3.159 20 30 BGEDHN C=CC[N@H+](Cc1cc2c(cc1[O-])CCC2)C1CC1 ZINC000771641887 585598351 /nfs/dbraw/zinc/59/83/51/585598351.db2.gz NHDZIRZMDYXCPB-UHFFFAOYSA-N 0 3 243.350 3.031 20 30 BGEDHN C=CC[N@@H+](Cc1cc2c(cc1[O-])CCC2)C1CC1 ZINC000771641887 585598350 /nfs/dbraw/zinc/59/83/50/585598350.db2.gz NHDZIRZMDYXCPB-UHFFFAOYSA-N 0 3 243.350 3.031 20 30 BGEDHN C#CCN(Cc1ncccc1C)C1CCCCC1 ZINC000772175481 585609436 /nfs/dbraw/zinc/60/94/36/585609436.db2.gz ORGWJDJKTBJPCS-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCCN1CC=C(c2ccc(CC)cc2)CC1 ZINC000772353335 585613205 /nfs/dbraw/zinc/61/32/05/585613205.db2.gz AIHBJZNXTXSOSE-UHFFFAOYSA-N 0 3 239.362 3.361 20 30 BGEDHN C=CCN(CCOc1ccccc1C)C1CC1 ZINC000772380613 585613750 /nfs/dbraw/zinc/61/37/50/585613750.db2.gz GLSKJYMLZZSLRL-UHFFFAOYSA-N 0 3 231.339 3.024 20 30 BGEDHN C=CCN(CCOc1ccc(C)cc1)C1CC1 ZINC000772383699 585613864 /nfs/dbraw/zinc/61/38/64/585613864.db2.gz XDGNXNXSNFHHNX-UHFFFAOYSA-N 0 3 231.339 3.024 20 30 BGEDHN C=C(C)COCCN[C@H]1CCc2cc(C)ccc21 ZINC000773057661 585630476 /nfs/dbraw/zinc/63/04/76/585630476.db2.gz CVRMCDVQEDWBKY-INIZCTEOSA-N 0 3 245.366 3.165 20 30 BGEDHN C=C(C)COCCN[C@@H]1CCc2cc(C)ccc21 ZINC000773057662 585630525 /nfs/dbraw/zinc/63/05/25/585630525.db2.gz CVRMCDVQEDWBKY-MRXNPFEDSA-N 0 3 245.366 3.165 20 30 BGEDHN Fc1ccc(C#CCN2CCCCCCC2)cc1 ZINC000773071897 585630707 /nfs/dbraw/zinc/63/07/07/585630707.db2.gz GROOGYHWIXASQP-UHFFFAOYSA-N 0 3 245.341 3.443 20 30 BGEDHN C=CCC[C@@H](NCc1cccc(F)n1)C1CC1 ZINC000773085330 585631301 /nfs/dbraw/zinc/63/13/01/585631301.db2.gz HHDBKAKWFHPUJM-CYBMUJFWSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CCC[C@H](NCc1cccc(F)n1)C1CC1 ZINC000773085333 585631104 /nfs/dbraw/zinc/63/11/04/585631104.db2.gz HHDBKAKWFHPUJM-ZDUSSCGKSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1cccc(F)n1 ZINC000773091413 585631215 /nfs/dbraw/zinc/63/12/15/585631215.db2.gz XBBWDHPMVMSEIQ-GFCCVEGCSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCC[C@H](CCC)NCc1cccc(F)n1 ZINC000773091414 585631144 /nfs/dbraw/zinc/63/11/44/585631144.db2.gz XBBWDHPMVMSEIQ-LBPRGKRZSA-N 0 3 236.334 3.445 20 30 BGEDHN Cc1cccc(C)c1CNCC#Cc1ccccc1 ZINC000773395818 585636102 /nfs/dbraw/zinc/63/61/02/585636102.db2.gz ILEJKKXXTWOBMJ-UHFFFAOYSA-N 0 3 249.357 3.445 20 30 BGEDHN C=C(CC)CN(C)Cc1ccc(OC)c(F)c1 ZINC000773409128 585636408 /nfs/dbraw/zinc/63/64/08/585636408.db2.gz KPWWFHMITSUMLE-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=C(CC)CN(CC)C[C@H](O)c1ccc(C)cc1 ZINC000773428578 585636748 /nfs/dbraw/zinc/63/67/48/585636748.db2.gz CZRPFUBQFSPGFH-INIZCTEOSA-N 0 3 247.382 3.317 20 30 BGEDHN C=C(CC)CN(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000773428583 585636654 /nfs/dbraw/zinc/63/66/54/585636654.db2.gz CZRPFUBQFSPGFH-MRXNPFEDSA-N 0 3 247.382 3.317 20 30 BGEDHN C=C(CC)CN1CCc2c(C)cccc2C1 ZINC000773428709 585636772 /nfs/dbraw/zinc/63/67/72/585636772.db2.gz QWAOMUJEVULRQO-UHFFFAOYSA-N 0 3 215.340 3.319 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000773430369 585636605 /nfs/dbraw/zinc/63/66/05/585636605.db2.gz QPTMYVLCPGMWBB-KBPBESRZSA-N 0 3 249.354 3.134 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000773430371 585636623 /nfs/dbraw/zinc/63/66/23/585636623.db2.gz QPTMYVLCPGMWBB-KGLIPLIRSA-N 0 3 249.354 3.134 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000773430372 585636687 /nfs/dbraw/zinc/63/66/87/585636687.db2.gz QPTMYVLCPGMWBB-UONOGXRCSA-N 0 3 249.354 3.134 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773430373 585636736 /nfs/dbraw/zinc/63/67/36/585636736.db2.gz QPTMYVLCPGMWBB-ZIAGYGMSSA-N 0 3 249.354 3.134 20 30 BGEDHN C=C(CC)CN(C)CCc1ccccc1F ZINC000773432911 585636800 /nfs/dbraw/zinc/63/68/00/585636800.db2.gz YEPQIIOGHWDAPJ-UHFFFAOYSA-N 0 3 221.319 3.266 20 30 BGEDHN CCCCCCCCN1CCc2n[nH]cc2C1 ZINC000773501516 585638369 /nfs/dbraw/zinc/63/83/69/585638369.db2.gz ASAFWQHECLTJHE-UHFFFAOYSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(N(C)CC)cc1 ZINC000773732201 585642977 /nfs/dbraw/zinc/64/29/77/585642977.db2.gz ZKAMBUDUSHWQSE-UHFFFAOYSA-N 0 3 244.382 3.317 20 30 BGEDHN C=C1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754514 644695603 /nfs/dbraw/zinc/69/56/03/644695603.db2.gz GPIDMMNENAVTCE-UHFFFAOYSA-N 0 3 244.382 3.295 20 30 BGEDHN C=CCN(Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773816906 585644211 /nfs/dbraw/zinc/64/42/11/585644211.db2.gz HXCQVHJCFDWZCA-UHFFFAOYSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(N(C)CC)cc1 ZINC000773837277 585644810 /nfs/dbraw/zinc/64/48/10/585644810.db2.gz ZRSZKAZLPPTLJR-UHFFFAOYSA-N 0 3 232.371 3.151 20 30 BGEDHN C#CCN(C)CCc1cc(Cl)cc(Cl)c1 ZINC000773887198 585645802 /nfs/dbraw/zinc/64/58/02/585645802.db2.gz CXJLPDWAMCNHKN-UHFFFAOYSA-N 0 3 242.149 3.101 20 30 BGEDHN Cc1cccc(F)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000774215024 585654374 /nfs/dbraw/zinc/65/43/74/585654374.db2.gz UPCLZCQOOMMVLN-CHWSQXEVSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cccc(F)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000774215025 585654184 /nfs/dbraw/zinc/65/41/84/585654184.db2.gz UPCLZCQOOMMVLN-OLZOCXBDSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cccc(F)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000774215026 585654260 /nfs/dbraw/zinc/65/42/60/585654260.db2.gz UPCLZCQOOMMVLN-QWHCGFSZSA-N 0 3 246.329 3.306 20 30 BGEDHN Cc1cccc(F)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000774215027 585654385 /nfs/dbraw/zinc/65/43/85/585654385.db2.gz UPCLZCQOOMMVLN-STQMWFEESA-N 0 3 246.329 3.306 20 30 BGEDHN c1ccc2c(c1)NCCCC2=NNC1CCCC1 ZINC000774384934 585657123 /nfs/dbraw/zinc/65/71/23/585657123.db2.gz IAERWYQIWKMSEZ-UHFFFAOYSA-N 0 3 243.354 3.129 20 30 BGEDHN CCC(CC)NN=C1CCCNc2ccccc21 ZINC000774387050 585657231 /nfs/dbraw/zinc/65/72/31/585657231.db2.gz NKQHTNVWXIOFKZ-UHFFFAOYSA-N 0 3 245.370 3.375 20 30 BGEDHN CCC(CC)CNN=Cc1ccc(N(C)C)cc1 ZINC000774463158 585659658 /nfs/dbraw/zinc/65/96/58/585659658.db2.gz PUHUDNCNTJXSGL-UHFFFAOYSA-N 0 3 247.386 3.112 20 30 BGEDHN CCC(CC)CNN=C(C)c1ccc(N)cc1 ZINC000774466671 585659832 /nfs/dbraw/zinc/65/98/32/585659832.db2.gz YFBHLGVUADKJGG-UHFFFAOYSA-N 0 3 233.359 3.019 20 30 BGEDHN CCC(CC)CNN=C(C)c1ccc(N)cc1C ZINC000774469932 585659949 /nfs/dbraw/zinc/65/99/49/585659949.db2.gz CGQKWPFXBWQNGA-UHFFFAOYSA-N 0 3 247.386 3.327 20 30 BGEDHN CC(=NOC1CCCC1)c1ccc(N(C)C)cc1 ZINC000774598049 585661700 /nfs/dbraw/zinc/66/17/00/585661700.db2.gz ZQOIBWKOJCBPQZ-UHFFFAOYSA-N 0 3 246.354 3.436 20 30 BGEDHN CC(=NOC1CCCC1)c1ccc(N)cc1C ZINC000774604136 585032705 /nfs/dbraw/zinc/03/27/05/585032705.db2.gz VQSKKMROWSMCSE-UHFFFAOYSA-N 0 3 232.327 3.260 20 30 BGEDHN Cc1cc(N)cc(C)c1C=NOC1CCCC1 ZINC000774608454 585662061 /nfs/dbraw/zinc/66/20/61/585662061.db2.gz NCTPPYRAISCSRT-UHFFFAOYSA-N 0 3 232.327 3.179 20 30 BGEDHN CN(C)c1ccc(C=NOC2CCCC2)cc1 ZINC000774608574 585661969 /nfs/dbraw/zinc/66/19/69/585661969.db2.gz PQJHMXQCBSUZHI-UHFFFAOYSA-N 0 3 232.327 3.046 20 30 BGEDHN C=CCN(Cc1ccc(C#N)c(C)c1)C(C)C ZINC000774837072 585666885 /nfs/dbraw/zinc/66/68/85/585666885.db2.gz AFPHTDGXFZUKDU-UHFFFAOYSA-N 0 3 228.339 3.263 20 30 BGEDHN C=CCN(Cc1ccc(C)c(OC)c1)C(C)C ZINC000774838748 585667054 /nfs/dbraw/zinc/66/70/54/585667054.db2.gz KSARFLHZMAQTQO-UHFFFAOYSA-N 0 3 233.355 3.400 20 30 BGEDHN C#CCN(CC)Cc1ccc(C)c(Cl)c1 ZINC000774858216 585668004 /nfs/dbraw/zinc/66/80/04/585668004.db2.gz NIPJJBAPQSRCSQ-UHFFFAOYSA-N 0 3 221.731 3.104 20 30 BGEDHN C#CCCN[C@H](C)c1ccccc1OC(C)C ZINC000774983824 585670082 /nfs/dbraw/zinc/67/00/82/585670082.db2.gz TXODISACMZVPMN-CYBMUJFWSA-N 0 3 231.339 3.148 20 30 BGEDHN C#CCCN[C@@H](C)c1ccccc1OC(C)C ZINC000774983828 585670019 /nfs/dbraw/zinc/67/00/19/585670019.db2.gz TXODISACMZVPMN-ZDUSSCGKSA-N 0 3 231.339 3.148 20 30 BGEDHN C#CCN(CC[C@H](C)c1ccccc1)C1CC1 ZINC000775068054 585671756 /nfs/dbraw/zinc/67/17/56/585671756.db2.gz GQWBMUFIVMHRME-AWEZNQCLSA-N 0 3 227.351 3.278 20 30 BGEDHN C#CCN(CC[C@@H](C)c1ccccc1)C1CC1 ZINC000775068060 585671781 /nfs/dbraw/zinc/67/17/81/585671781.db2.gz GQWBMUFIVMHRME-CQSZACIVSA-N 0 3 227.351 3.278 20 30 BGEDHN C#C[C@H](C)N(C)C[C@@H](CC)c1ccccc1 ZINC000775177902 585672733 /nfs/dbraw/zinc/67/27/33/585672733.db2.gz DJMAFKZFYDSKSI-UONOGXRCSA-N 0 3 215.340 3.134 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@@H](CC)c1ccccc1 ZINC000775177905 585672806 /nfs/dbraw/zinc/67/28/06/585672806.db2.gz DJMAFKZFYDSKSI-ZIAGYGMSSA-N 0 3 215.340 3.134 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C)c(Cl)c1 ZINC000775178305 585673114 /nfs/dbraw/zinc/67/31/14/585673114.db2.gz FXCIACZLSLSGQD-LLVKDONJSA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C)c(Cl)c1 ZINC000775178306 585672894 /nfs/dbraw/zinc/67/28/94/585672894.db2.gz FXCIACZLSLSGQD-NSHDSACASA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccccc1C1CC1 ZINC000775178355 585673046 /nfs/dbraw/zinc/67/30/46/585673046.db2.gz ILKYTMVFBGZHSF-GFCCVEGCSA-N 0 3 213.324 3.018 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccccc1C1CC1 ZINC000775178356 585672864 /nfs/dbraw/zinc/67/28/64/585672864.db2.gz ILKYTMVFBGZHSF-LBPRGKRZSA-N 0 3 213.324 3.018 20 30 BGEDHN C#C[C@H](C)N(C)CCc1ccc(C(C)C)cc1 ZINC000775179306 585673037 /nfs/dbraw/zinc/67/30/37/585673037.db2.gz NBWWKIORHVCMCC-AWEZNQCLSA-N 0 3 229.367 3.306 20 30 BGEDHN C#C[C@@H](C)N(C)CCc1ccc(C(C)C)cc1 ZINC000775179308 585673242 /nfs/dbraw/zinc/67/32/42/585673242.db2.gz NBWWKIORHVCMCC-CQSZACIVSA-N 0 3 229.367 3.306 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(OCCCC)cc1 ZINC000775182413 585672867 /nfs/dbraw/zinc/67/28/67/585672867.db2.gz DJVMLOCKQVJHHQ-AWEZNQCLSA-N 0 3 245.366 3.319 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCCCC)cc1 ZINC000775182415 585673189 /nfs/dbraw/zinc/67/31/89/585673189.db2.gz DJVMLOCKQVJHHQ-CQSZACIVSA-N 0 3 245.366 3.319 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(OCC(C)C)c1 ZINC000775182498 644700210 /nfs/dbraw/zinc/70/02/10/644700210.db2.gz AKPYBTRXUQMLGZ-AWEZNQCLSA-N 0 3 245.366 3.175 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(OCC(C)C)c1 ZINC000775182499 644701431 /nfs/dbraw/zinc/70/14/31/644701431.db2.gz AKPYBTRXUQMLGZ-CQSZACIVSA-N 0 3 245.366 3.175 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(OCC(C)C)cc1 ZINC000775182658 585673147 /nfs/dbraw/zinc/67/31/47/585673147.db2.gz FGYBSLQDZROKSN-AWEZNQCLSA-N 0 3 245.366 3.175 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(OCC(C)C)cc1 ZINC000775182659 585672861 /nfs/dbraw/zinc/67/28/61/585672861.db2.gz FGYBSLQDZROKSN-CQSZACIVSA-N 0 3 245.366 3.175 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1c2ccccc2oc1CC ZINC000775183120 585673100 /nfs/dbraw/zinc/67/31/00/585673100.db2.gz INHVSFXKJXZXHY-GFCCVEGCSA-N 0 3 241.334 3.449 20 30 BGEDHN C#C[C@H](C)N(C)Cc1c2ccccc2oc1CC ZINC000775183122 585673018 /nfs/dbraw/zinc/67/30/18/585673018.db2.gz INHVSFXKJXZXHY-LBPRGKRZSA-N 0 3 241.334 3.449 20 30 BGEDHN C#C[C@H](C)N(C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183476 585672873 /nfs/dbraw/zinc/67/28/73/585672873.db2.gz NAYIXPHASJARND-NEPJUHHUSA-N 0 3 235.758 3.397 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183483 585673005 /nfs/dbraw/zinc/67/30/05/585673005.db2.gz NAYIXPHASJARND-NWDGAFQWSA-N 0 3 235.758 3.397 20 30 BGEDHN C#C[C@H](C)N(C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183484 585672989 /nfs/dbraw/zinc/67/29/89/585672989.db2.gz NAYIXPHASJARND-RYUDHWBXSA-N 0 3 235.758 3.397 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183486 585672935 /nfs/dbraw/zinc/67/29/35/585672935.db2.gz NAYIXPHASJARND-VXGBXAGGSA-N 0 3 235.758 3.397 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1c(C)oc2ccccc21 ZINC000775183989 585672728 /nfs/dbraw/zinc/67/27/28/585672728.db2.gz RASHEOZFSNQYNE-LLVKDONJSA-N 0 3 227.307 3.195 20 30 BGEDHN C#C[C@H](C)N(C)Cc1c(C)oc2ccccc21 ZINC000775183990 585672916 /nfs/dbraw/zinc/67/29/16/585672916.db2.gz RASHEOZFSNQYNE-NSHDSACASA-N 0 3 227.307 3.195 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cc(C)c(C)cc1C ZINC000775183997 583058051 /nfs/dbraw/zinc/05/80/51/583058051.db2.gz RJNASTIDPNPPTE-AWEZNQCLSA-N 0 3 215.340 3.065 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cc(C)c(C)cc1C ZINC000775183998 583058278 /nfs/dbraw/zinc/05/82/78/583058278.db2.gz RJNASTIDPNPPTE-CQSZACIVSA-N 0 3 215.340 3.065 20 30 BGEDHN C#C[C@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000775184024 585672769 /nfs/dbraw/zinc/67/27/69/585672769.db2.gz SPFNYSVPQYFBCF-CMPYXILNSA-N 0 3 213.324 3.043 20 30 BGEDHN C#C[C@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000775184025 585673051 /nfs/dbraw/zinc/67/30/51/585673051.db2.gz SPFNYSVPQYFBCF-FZDNWWAKSA-N 0 3 213.324 3.043 20 30 BGEDHN C#C[C@@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000775184026 585672922 /nfs/dbraw/zinc/67/29/22/585672922.db2.gz SPFNYSVPQYFBCF-YBEMTRGBSA-N 0 3 213.324 3.043 20 30 BGEDHN C#C[C@@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000775184027 585672809 /nfs/dbraw/zinc/67/28/09/585672809.db2.gz SPFNYSVPQYFBCF-YPDDLIOESA-N 0 3 213.324 3.043 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(SCC)c1 ZINC000775184317 585673000 /nfs/dbraw/zinc/67/30/00/585673000.db2.gz PPZZWORLFAQACV-GFCCVEGCSA-N 0 3 233.380 3.252 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(SCC)c1 ZINC000775184318 585672815 /nfs/dbraw/zinc/67/28/15/585672815.db2.gz PPZZWORLFAQACV-LBPRGKRZSA-N 0 3 233.380 3.252 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(CCC)c1 ZINC000775184470 585673239 /nfs/dbraw/zinc/67/32/39/585673239.db2.gz WJYZVEIWJOCEQZ-CYBMUJFWSA-N 0 3 215.340 3.093 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(CCC)c1 ZINC000775184471 585672791 /nfs/dbraw/zinc/67/27/91/585672791.db2.gz WJYZVEIWJOCEQZ-ZDUSSCGKSA-N 0 3 215.340 3.093 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1c(C)cc(Cl)cc1C ZINC000775184984 585673011 /nfs/dbraw/zinc/67/30/11/585673011.db2.gz UMCWEHOZSMYKRC-GFCCVEGCSA-N 0 3 235.758 3.410 20 30 BGEDHN C#C[C@H](C)N(C)Cc1c(C)cc(Cl)cc1C ZINC000775184987 585673195 /nfs/dbraw/zinc/67/31/95/585673195.db2.gz UMCWEHOZSMYKRC-LBPRGKRZSA-N 0 3 235.758 3.410 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(Cl)c(C)c1 ZINC000775185119 585672803 /nfs/dbraw/zinc/67/28/03/585672803.db2.gz YSYYNRHERGEZRS-LLVKDONJSA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(Cl)c(C)c1 ZINC000775185121 585673253 /nfs/dbraw/zinc/67/32/53/585673253.db2.gz YSYYNRHERGEZRS-NSHDSACASA-N 0 3 221.731 3.102 20 30 BGEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000775372013 585676767 /nfs/dbraw/zinc/67/67/67/585676767.db2.gz XPUVUEDMYBYBQD-NEPJUHHUSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000775372014 585676705 /nfs/dbraw/zinc/67/67/05/585676705.db2.gz XPUVUEDMYBYBQD-NWDGAFQWSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000775372015 585676827 /nfs/dbraw/zinc/67/68/27/585676827.db2.gz XPUVUEDMYBYBQD-RYUDHWBXSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000775372016 585676756 /nfs/dbraw/zinc/67/67/56/585676756.db2.gz XPUVUEDMYBYBQD-VXGBXAGGSA-N 0 3 249.354 3.406 20 30 BGEDHN C#CC[C@H](NCCOCCCC)c1ccccc1 ZINC000775401385 585677586 /nfs/dbraw/zinc/67/75/86/585677586.db2.gz SWERKTOCGNUMCC-INIZCTEOSA-N 0 3 245.366 3.157 20 30 BGEDHN C#CC[C@@H](NCCOCCCC)c1ccccc1 ZINC000775401386 585677575 /nfs/dbraw/zinc/67/75/75/585677575.db2.gz SWERKTOCGNUMCC-MRXNPFEDSA-N 0 3 245.366 3.157 20 30 BGEDHN C#CC[C@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000775405448 585677616 /nfs/dbraw/zinc/67/76/16/585677616.db2.gz WWCYDXPDGLSWFB-CVEARBPZSA-N 0 3 225.335 3.449 20 30 BGEDHN C#CC[C@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000775405449 585677516 /nfs/dbraw/zinc/67/75/16/585677516.db2.gz WWCYDXPDGLSWFB-HOTGVXAUSA-N 0 3 225.335 3.449 20 30 BGEDHN C#CC[C@@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000775405450 585677530 /nfs/dbraw/zinc/67/75/30/585677530.db2.gz WWCYDXPDGLSWFB-HZPDHXFCSA-N 0 3 225.335 3.449 20 30 BGEDHN C#CC[C@@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000775405451 585677705 /nfs/dbraw/zinc/67/77/05/585677705.db2.gz WWCYDXPDGLSWFB-JKSUJKDBSA-N 0 3 225.335 3.449 20 30 BGEDHN C#CCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000775462309 585678304 /nfs/dbraw/zinc/67/83/04/585678304.db2.gz OFDOOURUDGBYSN-UHFFFAOYSA-N 0 3 249.304 3.347 20 30 BGEDHN C#CCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000775540433 585679271 /nfs/dbraw/zinc/67/92/71/585679271.db2.gz UNMUTZDSKUBZLK-UHFFFAOYSA-N 0 3 249.304 3.347 20 30 BGEDHN C#CCCN[C@@H](CCC)c1ccc(F)cc1F ZINC000775543833 585679245 /nfs/dbraw/zinc/67/92/45/585679245.db2.gz ZDSQTURUOBVJBU-AWEZNQCLSA-N 0 3 237.293 3.419 20 30 BGEDHN C#CCCN[C@H](CCC)c1ccc(F)cc1F ZINC000775543834 585679144 /nfs/dbraw/zinc/67/91/44/585679144.db2.gz ZDSQTURUOBVJBU-CQSZACIVSA-N 0 3 237.293 3.419 20 30 BGEDHN C#CCCN[C@@H](CC(C)C)c1ccccc1OC ZINC000775547061 585679220 /nfs/dbraw/zinc/67/92/20/585679220.db2.gz VBRXLQQHBPXOGB-HNNXBMFYSA-N 0 3 245.366 3.395 20 30 BGEDHN C#CCCN[C@H](CC(C)C)c1ccccc1OC ZINC000775547063 585679292 /nfs/dbraw/zinc/67/92/92/585679292.db2.gz VBRXLQQHBPXOGB-OAHLLOKOSA-N 0 3 245.366 3.395 20 30 BGEDHN C=C(C)CCN(C)Cc1ccc(OC)c(F)c1 ZINC000775559534 585679664 /nfs/dbraw/zinc/67/96/64/585679664.db2.gz WOMFWPJJQBXWAO-UHFFFAOYSA-N 0 3 237.318 3.232 20 30 BGEDHN C=C(C)CCN1CCC[C@@H]1c1cc(C)on1 ZINC000775562099 585679618 /nfs/dbraw/zinc/67/96/18/585679618.db2.gz DGJXSPQAROBGAV-CYBMUJFWSA-N 0 3 220.316 3.086 20 30 BGEDHN C=C(C)CCN1CCC[C@H]1c1cc(C)on1 ZINC000775562100 585679017 /nfs/dbraw/zinc/67/90/17/585679017.db2.gz DGJXSPQAROBGAV-ZDUSSCGKSA-N 0 3 220.316 3.086 20 30 BGEDHN C=CCN(CCC(=O)c1ccc(C)cc1)C(C)C ZINC000775571269 585680324 /nfs/dbraw/zinc/68/03/24/585680324.db2.gz DKYSMQGIRFXPDE-UHFFFAOYSA-N 0 3 245.366 3.464 20 30 BGEDHN C=CCN(Cc1ccc(C)nc1C)C(C)C ZINC000775573397 585680632 /nfs/dbraw/zinc/68/06/32/585680632.db2.gz YENSRWXWKLQUFV-UHFFFAOYSA-N 0 3 218.344 3.095 20 30 BGEDHN C#CCN(CCC(=C)C)Cc1ccc(F)cc1 ZINC000775586082 585680980 /nfs/dbraw/zinc/68/09/80/585680980.db2.gz JNAKUEDCLHVQOF-UHFFFAOYSA-N 0 3 231.314 3.227 20 30 BGEDHN C=C(C)CCN(C)Cc1ccc(Cl)nc1 ZINC000775608883 585681436 /nfs/dbraw/zinc/68/14/36/585681436.db2.gz ANLMLGXQQRIRNB-UHFFFAOYSA-N 0 3 224.735 3.133 20 30 BGEDHN CC(C)(C#N)c1ccc(CN2CCC2(C)C)cc1 ZINC000775634099 585681934 /nfs/dbraw/zinc/68/19/34/585681934.db2.gz ZSPKYQBUBBBFKZ-UHFFFAOYSA-N 0 3 242.366 3.472 20 30 BGEDHN C=CCN(Cc1cn(C)nc1C(C)(C)C)C(C)C ZINC000775656846 585682192 /nfs/dbraw/zinc/68/21/92/585682192.db2.gz OALNUGUGSWSATI-UHFFFAOYSA-N 0 3 249.402 3.114 20 30 BGEDHN C=CC[N@@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000775656862 585682447 /nfs/dbraw/zinc/68/24/47/585682447.db2.gz OQFNIOSNOGVWJM-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000775656862 585682446 /nfs/dbraw/zinc/68/24/46/585682446.db2.gz OQFNIOSNOGVWJM-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C#CCN(CC)Cc1cccc(OCC(C)C)c1 ZINC000775660194 585682242 /nfs/dbraw/zinc/68/22/42/585682242.db2.gz ADXBQAXLWJJUPI-UHFFFAOYSA-N 0 3 245.366 3.177 20 30 BGEDHN C=C(C)CCN1CCN(c2ccc(C)cc2)CC1 ZINC000775662428 585682838 /nfs/dbraw/zinc/68/28/38/585682838.db2.gz MFCPBMDJHZTGPR-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C#CCN(CCCCc1ccccc1)C1CC1 ZINC000775672494 585682815 /nfs/dbraw/zinc/68/28/15/585682815.db2.gz ALLHSVFKLRXKCQ-UHFFFAOYSA-N 0 3 227.351 3.107 20 30 BGEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834598 585686122 /nfs/dbraw/zinc/68/61/22/585686122.db2.gz VHCBUPBMSHCWTA-KBPBESRZSA-N 0 3 244.382 3.205 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834599 585686152 /nfs/dbraw/zinc/68/61/52/585686152.db2.gz VHCBUPBMSHCWTA-KGLIPLIRSA-N 0 3 244.382 3.205 20 30 BGEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834878 585686099 /nfs/dbraw/zinc/68/60/99/585686099.db2.gz VHCBUPBMSHCWTA-UONOGXRCSA-N 0 3 244.382 3.205 20 30 BGEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775834880 585686060 /nfs/dbraw/zinc/68/60/60/585686060.db2.gz VHCBUPBMSHCWTA-ZIAGYGMSSA-N 0 3 244.382 3.205 20 30 BGEDHN C=CCN1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775883320 585687262 /nfs/dbraw/zinc/68/72/62/585687262.db2.gz UTNMUDUCPQLMKE-UHFFFAOYSA-N 0 3 244.382 3.118 20 30 BGEDHN CN(CC1(C#N)CC1)C1CCCCCCC1 ZINC000775959562 585688318 /nfs/dbraw/zinc/68/83/18/585688318.db2.gz ANQPWWJPZWYCNJ-UHFFFAOYSA-N 0 3 220.360 3.335 20 30 BGEDHN CC(C)C(NCc1ccc(F)cc1C#N)C(C)C ZINC000776028472 585689498 /nfs/dbraw/zinc/68/94/98/585689498.db2.gz QYJZWECVEPMXSJ-UHFFFAOYSA-N 0 3 248.345 3.468 20 30 BGEDHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000776171831 585691299 /nfs/dbraw/zinc/69/12/99/585691299.db2.gz QQVPXXZBESVCSD-NEPJUHHUSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171856 585691473 /nfs/dbraw/zinc/69/14/73/585691473.db2.gz QQVPXXZBESVCSD-NWDGAFQWSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171862 585691444 /nfs/dbraw/zinc/69/14/44/585691444.db2.gz QQVPXXZBESVCSD-RYUDHWBXSA-N 0 3 239.322 3.298 20 30 BGEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171865 583112662 /nfs/dbraw/zinc/11/26/62/583112662.db2.gz QQVPXXZBESVCSD-VXGBXAGGSA-N 0 3 239.322 3.298 20 30 BGEDHN CCC[C@@H](C)CNCc1cc(C#N)ccc1F ZINC000776220588 585693490 /nfs/dbraw/zinc/69/34/90/585693490.db2.gz OMGQXXVYBZEYIF-LLVKDONJSA-N 0 3 234.318 3.223 20 30 BGEDHN CCC[C@H](C)CNCc1cc(C#N)ccc1F ZINC000776220602 585693549 /nfs/dbraw/zinc/69/35/49/585693549.db2.gz OMGQXXVYBZEYIF-NSHDSACASA-N 0 3 234.318 3.223 20 30 BGEDHN CCCCCCCN[C@H](c1nccn1C)C1CC1 ZINC000776482156 585699192 /nfs/dbraw/zinc/69/91/92/585699192.db2.gz GPAGNLYXXJYETH-AWEZNQCLSA-N 0 3 249.402 3.431 20 30 BGEDHN CCCCCCCN[C@@H](c1nccn1C)C1CC1 ZINC000776482157 585699213 /nfs/dbraw/zinc/69/92/13/585699213.db2.gz GPAGNLYXXJYETH-CQSZACIVSA-N 0 3 249.402 3.431 20 30 BGEDHN C#CCN(CCC(C)(C)C#N)C1CCCCC1 ZINC000776580302 585700940 /nfs/dbraw/zinc/70/09/40/585700940.db2.gz SVVWQIBFHMPSJI-UHFFFAOYSA-N 0 3 232.371 3.194 20 30 BGEDHN CN(CCc1ccccc1F)CCC(C)(C)C#N ZINC000776581328 585701264 /nfs/dbraw/zinc/70/12/64/585701264.db2.gz CQZQAZARMUSTEG-UHFFFAOYSA-N 0 3 248.345 3.240 20 30 BGEDHN Cc1cccc2c1CCN(CCC(C)(C)C#N)C2 ZINC000776582714 585701141 /nfs/dbraw/zinc/70/11/41/585701141.db2.gz UGWMPPAINVBBID-UHFFFAOYSA-N 0 3 242.366 3.293 20 30 BGEDHN CCCCCCCN[C@H](CC)c1nccn1C ZINC000776747225 585703814 /nfs/dbraw/zinc/70/38/14/585703814.db2.gz QIJSWTRIJBQEBT-CYBMUJFWSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCN[C@@H](CC)c1nccn1C ZINC000776747226 585703876 /nfs/dbraw/zinc/70/38/76/585703876.db2.gz QIJSWTRIJBQEBT-ZDUSSCGKSA-N 0 3 237.391 3.431 20 30 BGEDHN C=CCN(Cc1ccc(C#N)cc1C)C(C)C ZINC000776788288 585705743 /nfs/dbraw/zinc/70/57/43/585705743.db2.gz LUDKVXYLFVARCD-UHFFFAOYSA-N 0 3 228.339 3.263 20 30 BGEDHN CCCCCCCN1CCO[C@H](C2CC2)C1 ZINC000776799606 585705703 /nfs/dbraw/zinc/70/57/03/585705703.db2.gz MTTHHUNVRQGXOZ-AWEZNQCLSA-N 0 3 225.376 3.068 20 30 BGEDHN CCCCCCCN1CCO[C@@H](C2CC2)C1 ZINC000776799612 585705698 /nfs/dbraw/zinc/70/56/98/585705698.db2.gz MTTHHUNVRQGXOZ-CQSZACIVSA-N 0 3 225.376 3.068 20 30 BGEDHN CC(CN1CCCCCC1)N=Nc1ccccc1 ZINC000777419151 585711781 /nfs/dbraw/zinc/71/17/81/585711781.db2.gz TVHNXFWGZQPTLR-UHFFFAOYSA-N 0 3 245.370 3.350 20 30 BGEDHN CC(CN1CCCCCC1)=NOC1CCCC1 ZINC000777442841 585712222 /nfs/dbraw/zinc/71/22/22/585712222.db2.gz OIWNXMAGENABPK-UHFFFAOYSA-N 0 3 238.375 3.198 20 30 BGEDHN CN(C)c1ccc(C=NOC2CCCCC2)cc1 ZINC000777456485 585712781 /nfs/dbraw/zinc/71/27/81/585712781.db2.gz BJRGNULZWHVSGV-UHFFFAOYSA-N 0 3 246.354 3.436 20 30 BGEDHN CCN1CCC(=NOC2CCCCC2)[C@H](C)C1 ZINC000777458334 585712932 /nfs/dbraw/zinc/71/29/32/585712932.db2.gz CPRWZYDIPLGNET-GFCCVEGCSA-N 0 3 238.375 3.053 20 30 BGEDHN CCN1CCC(=NOC2CCCCC2)[C@@H](C)C1 ZINC000777458335 585713037 /nfs/dbraw/zinc/71/30/37/585713037.db2.gz CPRWZYDIPLGNET-LBPRGKRZSA-N 0 3 238.375 3.053 20 30 BGEDHN CC(=NOC1CCCCC1)c1ccc(N)cc1 ZINC000777459436 585712903 /nfs/dbraw/zinc/71/29/03/585712903.db2.gz QXNUWOOIMWIUGA-UHFFFAOYSA-N 0 3 232.327 3.342 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(CF)cc1 ZINC000777555223 585715326 /nfs/dbraw/zinc/71/53/26/585715326.db2.gz MPRVJXIRJQPZJK-UHFFFAOYSA-N 0 3 219.303 3.330 20 30 BGEDHN C=CCN(CCC(=O)c1ccc(F)cc1)C(C)C ZINC000777559007 585715287 /nfs/dbraw/zinc/71/52/87/585715287.db2.gz POQSSSUKCQMMCO-UHFFFAOYSA-N 0 3 249.329 3.295 20 30 BGEDHN C=CCN(CCC(=O)c1ccccc1)C(C)C ZINC000777559119 585715228 /nfs/dbraw/zinc/71/52/28/585715228.db2.gz RXEUFIIGANBGSV-UHFFFAOYSA-N 0 3 231.339 3.156 20 30 BGEDHN CCCCCCCCCN(C)CC1OCCO1 ZINC000777560686 585715028 /nfs/dbraw/zinc/71/50/28/585715028.db2.gz ZCPBJLCAMPOBRY-UHFFFAOYSA-N 0 3 243.391 3.042 20 30 BGEDHN C=C1CCN(Cc2ccc(CF)cc2)CC1 ZINC000777584055 585716004 /nfs/dbraw/zinc/71/60/04/585716004.db2.gz WQPXQFCBAUQCGK-UHFFFAOYSA-N 0 3 219.303 3.308 20 30 BGEDHN C=CCN(Cc1ccc(CF)cc1)C1CC1 ZINC000777725664 585719464 /nfs/dbraw/zinc/71/94/64/585719464.db2.gz WCZWLGDYZFQVMV-UHFFFAOYSA-N 0 3 219.303 3.307 20 30 BGEDHN C=C(C)C[N@H+](C)Cc1cc2c(cc1[O-])CCCC2 ZINC000777959315 585724275 /nfs/dbraw/zinc/72/42/75/585724275.db2.gz FUUXPBRXFRQCGH-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN C=C(C)C[N@@H+](C)Cc1cc2c(cc1[O-])CCCC2 ZINC000777959315 585724274 /nfs/dbraw/zinc/72/42/74/585724274.db2.gz FUUXPBRXFRQCGH-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN C=C(C)CN(C)c1ccnc2cc(OC)ccc21 ZINC000777995101 585725065 /nfs/dbraw/zinc/72/50/65/585725065.db2.gz KKZJSRSJQWVSTP-UHFFFAOYSA-N 0 3 242.322 3.256 20 30 BGEDHN C=C(CNCc1ccc(F)nc1)c1ccccc1 ZINC000778163494 585726862 /nfs/dbraw/zinc/72/68/62/585726862.db2.gz DWBIUOFFDJKVOQ-UHFFFAOYSA-N 0 3 242.297 3.024 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(CF)cc1 ZINC000778232453 585728907 /nfs/dbraw/zinc/72/89/07/585728907.db2.gz ZTKZHBNLEYGFNF-UHFFFAOYSA-N 0 3 207.292 3.164 20 30 BGEDHN C#CCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778243221 585729347 /nfs/dbraw/zinc/72/93/47/585729347.db2.gz IOCDHOIGVBWHIF-CYBMUJFWSA-N 0 3 231.314 3.028 20 30 BGEDHN C#CCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778243223 585729340 /nfs/dbraw/zinc/72/93/40/585729340.db2.gz IOCDHOIGVBWHIF-ZDUSSCGKSA-N 0 3 231.314 3.028 20 30 BGEDHN C=C(C)CN(C)Cc1cncc2ccccc21 ZINC000779144258 585745811 /nfs/dbraw/zinc/74/58/11/585745811.db2.gz NDLWQXQUDGIBMS-UHFFFAOYSA-N 0 3 226.323 3.243 20 30 BGEDHN C=C(C)CN(C)Cc1cc2cccc(OC)c2o1 ZINC000779145898 585745672 /nfs/dbraw/zinc/74/56/72/585745672.db2.gz XKACUTOZMHRTMK-UHFFFAOYSA-N 0 3 245.322 3.449 20 30 BGEDHN C=CCN(C)Cc1cc2cccc(OC)c2o1 ZINC000779188253 585746649 /nfs/dbraw/zinc/74/66/49/585746649.db2.gz JMKKPJJLWDGFCN-UHFFFAOYSA-N 0 3 231.295 3.059 20 30 BGEDHN CC(C)CCCN(C)Cc1cc(C#N)cs1 ZINC000779216833 585747559 /nfs/dbraw/zinc/74/75/59/585747559.db2.gz VIXPCMWNGLWUAO-UHFFFAOYSA-N 0 3 236.384 3.488 20 30 BGEDHN CCCC(N=Nc1ccncc1)c1ccccc1 ZINC000779810664 585766243 /nfs/dbraw/zinc/76/62/43/585766243.db2.gz GFJQTEUOZFDWEE-UHFFFAOYSA-N 0 3 239.322 3.120 20 30 BGEDHN C=CCN(CC=C)C[C@@H]1CCc2ccccc21 ZINC000780290246 585777018 /nfs/dbraw/zinc/77/70/18/585777018.db2.gz WYEMYCGLUWDGSA-HNNXBMFYSA-N 0 3 227.351 3.390 20 30 BGEDHN C=CCN(CC=C)C[C@H]1CCc2ccccc21 ZINC000780290249 585776860 /nfs/dbraw/zinc/77/68/60/585776860.db2.gz WYEMYCGLUWDGSA-OAHLLOKOSA-N 0 3 227.351 3.390 20 30 BGEDHN CC1(C#N)CCN(Cc2ccc(CF)cc2)CC1 ZINC000780334239 585778079 /nfs/dbraw/zinc/77/80/79/585778079.db2.gz VESJNLAQMGFUGI-UHFFFAOYSA-N 0 3 246.329 3.282 20 30 BGEDHN C=C(Cl)CN(CCCCC)CCCOC ZINC000780380743 712416475 /nfs/dbraw/zinc/41/64/75/712416475.db2.gz WTNFGKWXSXRWTJ-UHFFFAOYSA-N 0 3 233.783 3.268 20 30 BGEDHN CC[C@H]1CCC[C@@H](NCc2ccc(C#N)cn2)C1 ZINC000780553955 582833915 /nfs/dbraw/zinc/83/39/15/582833915.db2.gz HHIJBDWNLJGHII-GXTWGEPZSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@H]1CCC[C@H](NCc2ccc(C#N)cn2)C1 ZINC000780553968 582833694 /nfs/dbraw/zinc/83/36/94/582833694.db2.gz HHIJBDWNLJGHII-JSGCOSHPSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@H]1CCC[C@H](NCc2ccc(C#N)cn2)C1 ZINC000780553971 582834045 /nfs/dbraw/zinc/83/40/45/582834045.db2.gz HHIJBDWNLJGHII-OCCSQVGLSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)cn2)C1 ZINC000780553973 582833723 /nfs/dbraw/zinc/83/37/23/582833723.db2.gz HHIJBDWNLJGHII-TZMCWYRMSA-N 0 3 243.354 3.012 20 30 BGEDHN CCC1CCC(NCc2ccc(C#N)cn2)CC1 ZINC000780554552 582833788 /nfs/dbraw/zinc/83/37/88/582833788.db2.gz KLAZINCYWNVBKG-UHFFFAOYSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCC(NCc2ccc(C#N)cn2)CC1 ZINC000780555054 585780970 /nfs/dbraw/zinc/78/09/70/585780970.db2.gz MVBVQMQWPIDOGV-UHFFFAOYSA-N 0 3 243.354 3.012 20 30 BGEDHN N#Cc1ccc(CNCC2CCCCCC2)nc1 ZINC000780555720 585780975 /nfs/dbraw/zinc/78/09/75/585780975.db2.gz REUIRLVAQODQNW-UHFFFAOYSA-N 0 3 243.354 3.013 20 30 BGEDHN CC1(C)CCC[C@@H](NCc2ccc(C#N)cn2)C1 ZINC000780556488 585781079 /nfs/dbraw/zinc/78/10/79/585781079.db2.gz YXOATTLYDLDKJH-CYBMUJFWSA-N 0 3 243.354 3.012 20 30 BGEDHN CC1(C)CCC[C@H](NCc2ccc(C#N)cn2)C1 ZINC000780556490 585781013 /nfs/dbraw/zinc/78/10/13/585781013.db2.gz YXOATTLYDLDKJH-ZDUSSCGKSA-N 0 3 243.354 3.012 20 30 BGEDHN C#CCCCCN[C@H](C)c1ncccc1CC ZINC000780732008 585783926 /nfs/dbraw/zinc/78/39/26/585783926.db2.gz WIPCBSAAJDHWER-CYBMUJFWSA-N 0 3 230.355 3.098 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ncccc1CC ZINC000780732010 585783898 /nfs/dbraw/zinc/78/38/98/585783898.db2.gz WIPCBSAAJDHWER-ZDUSSCGKSA-N 0 3 230.355 3.098 20 30 BGEDHN C#CCN(CC)Cc1ccc(Cl)c(C)c1 ZINC000780757380 585784471 /nfs/dbraw/zinc/78/44/71/585784471.db2.gz FIJHCANFULEGTG-UHFFFAOYSA-N 0 3 221.731 3.104 20 30 BGEDHN CCSCCC=Nn1cnc2ccccc21 ZINC000781123710 585790792 /nfs/dbraw/zinc/79/07/92/585790792.db2.gz GPHDVRVXWAPTJV-UHFFFAOYSA-N 0 3 233.340 3.013 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000781420595 585795728 /nfs/dbraw/zinc/79/57/28/585795728.db2.gz BTCYFQGUMPKRON-GFCCVEGCSA-N 0 3 244.313 3.151 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000781420599 585795762 /nfs/dbraw/zinc/79/57/62/585795762.db2.gz BTCYFQGUMPKRON-LBPRGKRZSA-N 0 3 244.313 3.151 20 30 BGEDHN C=CCN(Cc1c(C)cc(OC)nc1C)C(C)C ZINC000781898343 585804908 /nfs/dbraw/zinc/80/49/08/585804908.db2.gz XMJKKWOXOSLNFV-UHFFFAOYSA-N 0 3 248.370 3.103 20 30 BGEDHN C=C(Cl)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000782108501 644740541 /nfs/dbraw/zinc/74/05/41/644740541.db2.gz RFPOAHIFGLPPNX-CMPLNLGQSA-N 0 3 213.752 3.251 20 30 BGEDHN C=C(Cl)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000782108502 644740401 /nfs/dbraw/zinc/74/04/01/644740401.db2.gz RFPOAHIFGLPPNX-JQWIXIFHSA-N 0 3 213.752 3.251 20 30 BGEDHN C=C(Cl)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000782108503 644740703 /nfs/dbraw/zinc/74/07/03/644740703.db2.gz RFPOAHIFGLPPNX-PWSUYJOCSA-N 0 3 213.752 3.251 20 30 BGEDHN C=C(Cl)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000782108504 644740609 /nfs/dbraw/zinc/74/06/09/644740609.db2.gz RFPOAHIFGLPPNX-ZYHUDNBSSA-N 0 3 213.752 3.251 20 30 BGEDHN CC(=NN[C@H]1CCCC1(C)C)c1ccc(N)cc1 ZINC000782287092 585813971 /nfs/dbraw/zinc/81/39/71/585813971.db2.gz JVNQBENTGYHZBB-AWEZNQCLSA-N 0 3 245.370 3.161 20 30 BGEDHN CC(=NN[C@@H]1CCCC1(C)C)c1ccc(N)cc1 ZINC000782287094 632575355 /nfs/dbraw/zinc/57/53/55/632575355.db2.gz JVNQBENTGYHZBB-CQSZACIVSA-N 0 3 245.370 3.161 20 30 BGEDHN C=C(Cl)CN1CCCC2(CCCC2)C1 ZINC000782638974 585823904 /nfs/dbraw/zinc/82/39/04/585823904.db2.gz WZJUXROYQWPXBO-UHFFFAOYSA-N 0 3 213.752 3.395 20 30 BGEDHN CC(=NNCCC(C)(C)C)c1ccc(N)cc1C ZINC000782903685 585825669 /nfs/dbraw/zinc/82/56/69/585825669.db2.gz YISGSANVEVTREW-UHFFFAOYSA-N 0 3 247.386 3.327 20 30 BGEDHN CC(=NNCCC(C)(C)C)c1ccc(N)cc1 ZINC000782906721 585826002 /nfs/dbraw/zinc/82/60/02/585826002.db2.gz DDRCDTRHFPUKIJ-UHFFFAOYSA-N 0 3 233.359 3.019 20 30 BGEDHN CN(C)c1ccc(C=NNCCC(C)(C)C)cc1 ZINC000782908794 585826265 /nfs/dbraw/zinc/82/62/65/585826265.db2.gz ZPEVYPAZOZISPP-UHFFFAOYSA-N 0 3 247.386 3.112 20 30 BGEDHN C[C@@H]1CC[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000783262818 585832512 /nfs/dbraw/zinc/83/25/12/585832512.db2.gz QQDOGMSJESTNDM-BPLDGKMQSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H]1CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000783262826 585832616 /nfs/dbraw/zinc/83/26/16/585832616.db2.gz QQDOGMSJESTNDM-SNPRPXQTSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H]1CC[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000783262827 585832676 /nfs/dbraw/zinc/83/26/76/585832676.db2.gz QQDOGMSJESTNDM-VHDGCEQUSA-N 0 3 228.339 3.420 20 30 BGEDHN C[C@@H]1CC[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000783262829 585832599 /nfs/dbraw/zinc/83/25/99/585832599.db2.gz QQDOGMSJESTNDM-YUELXQCFSA-N 0 3 228.339 3.420 20 30 BGEDHN CCCCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000783293005 585833056 /nfs/dbraw/zinc/83/30/56/585833056.db2.gz FNTUUNIBFKCNED-GFCCVEGCSA-N 0 3 231.343 3.012 20 30 BGEDHN CCCCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000783293011 585833490 /nfs/dbraw/zinc/83/34/90/585833490.db2.gz FNTUUNIBFKCNED-LBPRGKRZSA-N 0 3 231.343 3.012 20 30 BGEDHN C=CCC[C@H](CCC)NCc1ccc(C#N)cn1 ZINC000783294412 585833405 /nfs/dbraw/zinc/83/34/05/585833405.db2.gz PYMRIIMYUKBPKP-AWEZNQCLSA-N 0 3 243.354 3.178 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1ccc(C#N)cn1 ZINC000783294413 585833466 /nfs/dbraw/zinc/83/34/66/585833466.db2.gz PYMRIIMYUKBPKP-CQSZACIVSA-N 0 3 243.354 3.178 20 30 BGEDHN C[C@H](CC1CCCC1)NCc1ccc(C#N)cn1 ZINC000783295083 585833277 /nfs/dbraw/zinc/83/32/77/585833277.db2.gz YTCILKALDKZLNM-GFCCVEGCSA-N 0 3 243.354 3.012 20 30 BGEDHN C[C@@H](CC1CCCC1)NCc1ccc(C#N)cn1 ZINC000783295084 585833329 /nfs/dbraw/zinc/83/33/29/585833329.db2.gz YTCILKALDKZLNM-LBPRGKRZSA-N 0 3 243.354 3.012 20 30 BGEDHN CCCC(CCC)NCc1ccc(C#N)cn1 ZINC000783299445 585833272 /nfs/dbraw/zinc/83/32/72/585833272.db2.gz CHPZTXHZDUVQFW-UHFFFAOYSA-N 0 3 231.343 3.012 20 30 BGEDHN CC(C)CCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000783300402 585833477 /nfs/dbraw/zinc/83/34/77/585833477.db2.gz LRAXNUTVOHYNFJ-CYBMUJFWSA-N 0 3 245.370 3.258 20 30 BGEDHN CC(C)CCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000783300404 585833210 /nfs/dbraw/zinc/83/32/10/585833210.db2.gz LRAXNUTVOHYNFJ-ZDUSSCGKSA-N 0 3 245.370 3.258 20 30 BGEDHN CC(C)=CCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000783300705 585833497 /nfs/dbraw/zinc/83/34/97/585833497.db2.gz PZSSPOKOKSYZFY-CYBMUJFWSA-N 0 3 243.354 3.178 20 30 BGEDHN CC(C)=CCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000783300706 585833373 /nfs/dbraw/zinc/83/33/73/585833373.db2.gz PZSSPOKOKSYZFY-ZDUSSCGKSA-N 0 3 243.354 3.178 20 30 BGEDHN CC[C@H](C[C@@H](C)CC)NCc1ccc(C#N)cn1 ZINC000783300817 585833451 /nfs/dbraw/zinc/83/34/51/585833451.db2.gz QUKYLSFSHVVGSA-GXTWGEPZSA-N 0 3 245.370 3.258 20 30 BGEDHN CC[C@H](C)C[C@H](CC)NCc1ccc(C#N)cn1 ZINC000783300819 585833229 /nfs/dbraw/zinc/83/32/29/585833229.db2.gz QUKYLSFSHVVGSA-JSGCOSHPSA-N 0 3 245.370 3.258 20 30 BGEDHN CC[C@@H](C)C[C@H](CC)NCc1ccc(C#N)cn1 ZINC000783300822 585833400 /nfs/dbraw/zinc/83/34/00/585833400.db2.gz QUKYLSFSHVVGSA-OCCSQVGLSA-N 0 3 245.370 3.258 20 30 BGEDHN CC[C@@H](C)C[C@@H](CC)NCc1ccc(C#N)cn1 ZINC000783300823 585833345 /nfs/dbraw/zinc/83/33/45/585833345.db2.gz QUKYLSFSHVVGSA-TZMCWYRMSA-N 0 3 245.370 3.258 20 30 BGEDHN CCCCCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000783301015 585833225 /nfs/dbraw/zinc/83/32/25/585833225.db2.gz SBZVRMZIUVPSGE-CYBMUJFWSA-N 0 3 245.370 3.402 20 30 BGEDHN CCCCCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000783301016 585833303 /nfs/dbraw/zinc/83/33/03/585833303.db2.gz SBZVRMZIUVPSGE-ZDUSSCGKSA-N 0 3 245.370 3.402 20 30 BGEDHN N#Cc1ccc(CNC2CCCCCCC2)nc1 ZINC000783301351 585833338 /nfs/dbraw/zinc/83/33/38/585833338.db2.gz WRJUZPIWRLGHOS-UHFFFAOYSA-N 0 3 243.354 3.156 20 30 BGEDHN CCCC[C@@H](CC)NCc1ccc(C#N)cn1 ZINC000783301488 585833279 /nfs/dbraw/zinc/83/32/79/585833279.db2.gz XCKRQMLYKZNGDJ-CYBMUJFWSA-N 0 3 231.343 3.012 20 30 BGEDHN CCCC[C@H](CC)NCc1ccc(C#N)cn1 ZINC000783301490 585833445 /nfs/dbraw/zinc/83/34/45/585833445.db2.gz XCKRQMLYKZNGDJ-ZDUSSCGKSA-N 0 3 231.343 3.012 20 30 BGEDHN C#CCN(CC)C[C@@H](C)c1cccc(Cl)c1 ZINC000783548669 585836238 /nfs/dbraw/zinc/83/62/38/585836238.db2.gz QIUBSTFEXAAPBN-GFCCVEGCSA-N 0 3 235.758 3.399 20 30 BGEDHN C#CCN(CC)C[C@H](C)c1cccc(Cl)c1 ZINC000783548682 585836413 /nfs/dbraw/zinc/83/64/13/585836413.db2.gz QIUBSTFEXAAPBN-LBPRGKRZSA-N 0 3 235.758 3.399 20 30 BGEDHN C=C(C)CN(C)Cc1ccc(OCOCC)cc1 ZINC000783588402 585837402 /nfs/dbraw/zinc/83/74/02/585837402.db2.gz JKRGQOIEXICZFG-UHFFFAOYSA-N 0 3 249.354 3.067 20 30 BGEDHN CCC(CC)(CC)CNCc1ccc(C#N)cn1 ZINC000783702992 585840664 /nfs/dbraw/zinc/84/06/64/585840664.db2.gz NEVLJNPEKRXHFV-UHFFFAOYSA-N 0 3 245.370 3.259 20 30 BGEDHN C=C(C)CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000783755480 585842238 /nfs/dbraw/zinc/84/22/38/585842238.db2.gz SZPYSVCRXCQKIW-UHFFFAOYSA-N 0 3 245.366 3.456 20 30 BGEDHN C=C(C)CNCc1ccccc1N1CCCCC1 ZINC000783755554 585842247 /nfs/dbraw/zinc/84/22/47/585842247.db2.gz UUOQNSWEDLQHLJ-UHFFFAOYSA-N 0 3 244.382 3.343 20 30 BGEDHN C#CCN(CC)CCCc1ccccc1Cl ZINC000784158634 585852175 /nfs/dbraw/zinc/85/21/75/585852175.db2.gz AQSJUSQBCZASEA-UHFFFAOYSA-N 0 3 235.758 3.228 20 30 BGEDHN C=CCN(Cc1cncc2ccccc21)C1CC1 ZINC000784256483 585853552 /nfs/dbraw/zinc/85/35/52/585853552.db2.gz CWUKGDMDHUNNLX-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CCN1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784376077 583013777 /nfs/dbraw/zinc/01/37/77/583013777.db2.gz YGBNXAUUUFGZCR-INIZCTEOSA-N 0 3 244.382 3.082 20 30 BGEDHN C=CCN1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784376078 583013640 /nfs/dbraw/zinc/01/36/40/583013640.db2.gz YGBNXAUUUFGZCR-MRXNPFEDSA-N 0 3 244.382 3.082 20 30 BGEDHN C=CCCCN1CCN(c2ccc(C)cc2)CC1 ZINC000784389137 585857801 /nfs/dbraw/zinc/85/78/01/585857801.db2.gz LZTCLJOVJKSELC-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN C=C(CC)CN1CCN(c2ccc(C)cc2)CC1 ZINC000784389392 585858104 /nfs/dbraw/zinc/85/81/04/585858104.db2.gz MBVUSUGAFHIGMM-UHFFFAOYSA-N 0 3 244.382 3.083 20 30 BGEDHN N#Cc1ccc(CNC23CCC(CC2)C3)c(F)c1 ZINC000784640343 585864930 /nfs/dbraw/zinc/86/49/30/585864930.db2.gz ISKPSBVXCRETTH-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN C#CCN(Cc1cncc(C)c1)C1CCCCC1 ZINC000785446082 585874039 /nfs/dbraw/zinc/87/40/39/585874039.db2.gz XMWHMODKOGZNJF-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCN(C)CCc1cc(Cl)ccc1Cl ZINC000785821354 585881523 /nfs/dbraw/zinc/88/15/23/585881523.db2.gz AZIQERRPAVWYRY-UHFFFAOYSA-N 0 3 242.149 3.101 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C2CCC2)cc1 ZINC000785833023 585881699 /nfs/dbraw/zinc/88/16/99/585881699.db2.gz OPCFGNQCVFUSCK-CYBMUJFWSA-N 0 3 227.351 3.408 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C2CCC2)cc1 ZINC000785833024 585881828 /nfs/dbraw/zinc/88/18/28/585881828.db2.gz OPCFGNQCVFUSCK-ZDUSSCGKSA-N 0 3 227.351 3.408 20 30 BGEDHN C=C[C@@H]1CCCCN1C[C@H]1CC1(Cl)Cl ZINC000785996192 585884544 /nfs/dbraw/zinc/88/45/44/585884544.db2.gz CFMWSRPFSNHBGR-NXEZZACHSA-N 0 3 234.170 3.221 20 30 BGEDHN C=C[C@H]1CCCCN1C[C@@H]1CC1(Cl)Cl ZINC000785996193 585884616 /nfs/dbraw/zinc/88/46/16/585884616.db2.gz CFMWSRPFSNHBGR-UWVGGRQHSA-N 0 3 234.170 3.221 20 30 BGEDHN C=C[C@@H]1CCCCN1C[C@@H]1CC1(Cl)Cl ZINC000785996194 585884624 /nfs/dbraw/zinc/88/46/24/585884624.db2.gz CFMWSRPFSNHBGR-VHSXEESVSA-N 0 3 234.170 3.221 20 30 BGEDHN C=C[C@H]1CCCCN1C[C@H]1CC1(Cl)Cl ZINC000785996195 585884539 /nfs/dbraw/zinc/88/45/39/585884539.db2.gz CFMWSRPFSNHBGR-ZJUUUORDSA-N 0 3 234.170 3.221 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)COC2 ZINC000785998730 584016177 /nfs/dbraw/zinc/01/61/77/584016177.db2.gz LPNUEPMMKBPVNQ-INIZCTEOSA-N 0 3 243.350 3.257 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)COC2 ZINC000785998731 584016217 /nfs/dbraw/zinc/01/62/17/584016217.db2.gz LPNUEPMMKBPVNQ-MRXNPFEDSA-N 0 3 243.350 3.257 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000785999082 585884921 /nfs/dbraw/zinc/88/49/21/585884921.db2.gz QLFMCSQNETUWMW-HNNXBMFYSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000785999084 585884932 /nfs/dbraw/zinc/88/49/32/585884932.db2.gz QLFMCSQNETUWMW-OAHLLOKOSA-N 0 3 244.382 3.293 20 30 BGEDHN C=C[C@@H]1CCCCN1CCC(=O)C(C)(C)C ZINC000785999470 585884819 /nfs/dbraw/zinc/88/48/19/585884819.db2.gz VRLUBLAVKAMBAL-GFCCVEGCSA-N 0 3 223.360 3.032 20 30 BGEDHN C=C[C@H]1CCCCN1CCC(=O)C(C)(C)C ZINC000785999471 585884924 /nfs/dbraw/zinc/88/49/24/585884924.db2.gz VRLUBLAVKAMBAL-LBPRGKRZSA-N 0 3 223.360 3.032 20 30 BGEDHN CC(=NNC1CCCCC1)c1ccc(N)cc1C ZINC000786042400 585886075 /nfs/dbraw/zinc/88/60/75/585886075.db2.gz UWINQVDKXMQIRJ-UHFFFAOYSA-N 0 3 245.370 3.224 20 30 BGEDHN CN(C)c1ccc(C=NNC2CCCCC2)cc1 ZINC000786043681 585886248 /nfs/dbraw/zinc/88/62/48/585886248.db2.gz RUALFYJWUJXZEM-UHFFFAOYSA-N 0 3 245.370 3.009 20 30 BGEDHN C=CCCN(C)c1ccnc2cc(OC)ccc21 ZINC000786090760 585886990 /nfs/dbraw/zinc/88/69/90/585886990.db2.gz LNBMEQRPEDWOAF-UHFFFAOYSA-N 0 3 242.322 3.256 20 30 BGEDHN C=CCCN(C)Cn1nc(Cl)c2ccccc21 ZINC000786100941 585887051 /nfs/dbraw/zinc/88/70/51/585887051.db2.gz HBEJCLXLARYNSR-UHFFFAOYSA-N 0 3 249.745 3.155 20 30 BGEDHN C=CCC[N@H+](C)Cc1cc2c(cc1[O-])CCCC2 ZINC000786102424 584016907 /nfs/dbraw/zinc/01/69/07/584016907.db2.gz XUEBWHTUXLRAQX-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN C=CCC[N@@H+](C)Cc1cc2c(cc1[O-])CCCC2 ZINC000786102424 584016905 /nfs/dbraw/zinc/01/69/05/584016905.db2.gz XUEBWHTUXLRAQX-UHFFFAOYSA-N 0 3 245.366 3.279 20 30 BGEDHN C=CCCN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000786447555 644775917 /nfs/dbraw/zinc/77/59/17/644775917.db2.gz WCXZXKPYNBUATH-UHFFFAOYSA-N 0 3 245.153 3.396 20 30 BGEDHN C=CCCN(C)Cc1cnc(Cl)c(C)c1 ZINC000786578143 585895088 /nfs/dbraw/zinc/89/50/88/585895088.db2.gz IQPPQCXFBMHLIX-UHFFFAOYSA-N 0 3 224.735 3.051 20 30 BGEDHN C=CCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000786580026 585895385 /nfs/dbraw/zinc/89/53/85/585895385.db2.gz WZGCNMYYTKWWBU-UHFFFAOYSA-N 0 3 239.746 3.362 20 30 BGEDHN C=CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000786580026 585895384 /nfs/dbraw/zinc/89/53/84/585895384.db2.gz WZGCNMYYTKWWBU-UHFFFAOYSA-N 0 3 239.746 3.362 20 30 BGEDHN C#CCN(Cc1ccc(F)cc1)CC1(C)CC1 ZINC000787132731 585901991 /nfs/dbraw/zinc/90/19/91/585901991.db2.gz PZXIBIWEJAIACQ-UHFFFAOYSA-N 0 3 231.314 3.061 20 30 BGEDHN C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000787308028 585906482 /nfs/dbraw/zinc/90/64/82/585906482.db2.gz CMNHRXOKCDGWRY-AWEZNQCLSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000787308028 585906481 /nfs/dbraw/zinc/90/64/81/585906481.db2.gz CMNHRXOKCDGWRY-AWEZNQCLSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000787308029 585906641 /nfs/dbraw/zinc/90/66/41/585906641.db2.gz CMNHRXOKCDGWRY-CQSZACIVSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000787308029 585906640 /nfs/dbraw/zinc/90/66/40/585906640.db2.gz CMNHRXOKCDGWRY-CQSZACIVSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000787309057 585906593 /nfs/dbraw/zinc/90/65/93/585906593.db2.gz HLDMGYQVMBEOFM-CYBMUJFWSA-N 0 3 235.302 3.072 20 30 BGEDHN C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000787309057 585906592 /nfs/dbraw/zinc/90/65/92/585906592.db2.gz HLDMGYQVMBEOFM-CYBMUJFWSA-N 0 3 235.302 3.072 20 30 BGEDHN C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000787309060 585906478 /nfs/dbraw/zinc/90/64/78/585906478.db2.gz HLDMGYQVMBEOFM-ZDUSSCGKSA-N 0 3 235.302 3.072 20 30 BGEDHN C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000787309060 585906477 /nfs/dbraw/zinc/90/64/77/585906477.db2.gz HLDMGYQVMBEOFM-ZDUSSCGKSA-N 0 3 235.302 3.072 20 30 BGEDHN C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000787311612 585906456 /nfs/dbraw/zinc/90/64/56/585906456.db2.gz XAGDHRBFNMXZEE-AWEZNQCLSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000787311612 585906455 /nfs/dbraw/zinc/90/64/55/585906455.db2.gz XAGDHRBFNMXZEE-AWEZNQCLSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000787311613 585906504 /nfs/dbraw/zinc/90/65/04/585906504.db2.gz XAGDHRBFNMXZEE-CQSZACIVSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000787311613 585906503 /nfs/dbraw/zinc/90/65/03/585906503.db2.gz XAGDHRBFNMXZEE-CQSZACIVSA-N 0 3 231.339 3.241 20 30 BGEDHN C=C[C@H]1CCCCN1Cc1cc(C)oc1C ZINC000787311637 585906368 /nfs/dbraw/zinc/90/63/68/585906368.db2.gz XOMXFYWOXBVJRC-AWEZNQCLSA-N 0 3 219.328 3.437 20 30 BGEDHN C=C[C@@H]1CCCCN1Cc1cc(C)oc1C ZINC000787311639 585906404 /nfs/dbraw/zinc/90/64/04/585906404.db2.gz XOMXFYWOXBVJRC-CQSZACIVSA-N 0 3 219.328 3.437 20 30 BGEDHN C#Cc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000787769773 585915593 /nfs/dbraw/zinc/91/55/93/585915593.db2.gz INGMDPKHADEAHA-UHFFFAOYSA-N 0 3 235.330 3.300 20 30 BGEDHN C#Cc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000787770722 585915715 /nfs/dbraw/zinc/91/57/15/585915715.db2.gz VDJAISQUCMWTFO-UHFFFAOYSA-N 0 3 247.341 3.226 20 30 BGEDHN C#CC(C)(C)N(C)Cc1cccc(Cl)c1 ZINC000787996935 585918762 /nfs/dbraw/zinc/91/87/62/585918762.db2.gz CJTFMAXETQXYRU-UHFFFAOYSA-N 0 3 221.731 3.184 20 30 BGEDHN C#CC(C)(C)N(C)Cc1cccc(OC(C)C)c1 ZINC000787997871 585918859 /nfs/dbraw/zinc/91/88/59/585918859.db2.gz CATRLXLXXUWLHD-UHFFFAOYSA-N 0 3 245.366 3.317 20 30 BGEDHN C#CC(C)(C)N(C)Cc1cc(C)ccc1C ZINC000787997977 585918831 /nfs/dbraw/zinc/91/88/31/585918831.db2.gz UQLKUTWTKJHAFF-UHFFFAOYSA-N 0 3 215.340 3.147 20 30 BGEDHN C#CC(C)(C)N(C)Cc1cc(C)sc1C ZINC000787998153 585918815 /nfs/dbraw/zinc/91/88/15/585918815.db2.gz XYBNWOBYNDMERD-UHFFFAOYSA-N 0 3 221.369 3.209 20 30 BGEDHN C#CC(C)(C)N(C)CCCOc1ccccc1C ZINC000788000187 585918640 /nfs/dbraw/zinc/91/86/40/585918640.db2.gz RLDIGIYZKOIQSL-UHFFFAOYSA-N 0 3 245.366 3.108 20 30 BGEDHN C#CC(C)(C)N(C)Cc1ccc(Cl)cc1 ZINC000788000339 585918776 /nfs/dbraw/zinc/91/87/76/585918776.db2.gz VFMWVQKYJNSBKM-UHFFFAOYSA-N 0 3 221.731 3.184 20 30 BGEDHN C#CC(C)(C)N(C)CCSc1ccccc1 ZINC000788001010 585918767 /nfs/dbraw/zinc/91/87/67/585918767.db2.gz XRVLIEPUPYXQGT-UHFFFAOYSA-N 0 3 233.380 3.122 20 30 BGEDHN C#CCCCSCCN(C)Cc1ccccc1 ZINC000788509396 585926148 /nfs/dbraw/zinc/92/61/48/585926148.db2.gz NUXZOUKYEKUVDA-UHFFFAOYSA-N 0 3 247.407 3.265 20 30 BGEDHN N#CCCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788588372 585927485 /nfs/dbraw/zinc/92/74/85/585927485.db2.gz LZYCOAJZEPPPET-LLVKDONJSA-N 0 3 249.745 3.006 20 30 BGEDHN N#CCCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000788588373 585927574 /nfs/dbraw/zinc/92/75/74/585927574.db2.gz LZYCOAJZEPPPET-NSHDSACASA-N 0 3 249.745 3.006 20 30 BGEDHN C#CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000788779965 585930274 /nfs/dbraw/zinc/93/02/74/585930274.db2.gz ZXGAUUHKZSXKAM-CYBMUJFWSA-N 0 3 231.339 3.073 20 30 BGEDHN C#CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000788779966 585930346 /nfs/dbraw/zinc/93/03/46/585930346.db2.gz ZXGAUUHKZSXKAM-ZDUSSCGKSA-N 0 3 231.339 3.073 20 30 BGEDHN C#CCN(C)CCc1cccc(Cl)c1Cl ZINC000789307424 585939489 /nfs/dbraw/zinc/93/94/89/585939489.db2.gz CZQFPCJIBBYHOI-UHFFFAOYSA-N 0 3 242.149 3.101 20 30 BGEDHN C#CCCN1CCc2c(cccc2C(C)C)C1 ZINC000789553698 585943856 /nfs/dbraw/zinc/94/38/56/585943856.db2.gz KPYKNUTXHJYOFB-UHFFFAOYSA-N 0 3 227.351 3.191 20 30 BGEDHN C=CCN(Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000789727514 585949157 /nfs/dbraw/zinc/94/91/57/585949157.db2.gz USMSXZIFMZQPSF-UHFFFAOYSA-N 0 3 245.326 3.066 20 30 BGEDHN CC[C@@H](C)NN=C(C)c1ccc(N(C)CC)cc1 ZINC000790182258 585259338 /nfs/dbraw/zinc/25/93/38/585259338.db2.gz CRWPGBONZGJUQV-GFCCVEGCSA-N 0 3 247.386 3.255 20 30 BGEDHN CC[C@H](C)NN=C(C)c1ccc(N(C)CC)cc1 ZINC000790182261 585259439 /nfs/dbraw/zinc/25/94/39/585259439.db2.gz CRWPGBONZGJUQV-LBPRGKRZSA-N 0 3 247.386 3.255 20 30 BGEDHN CCC(=NN[C@H](C)CC)c1ccc(N(C)C)cc1 ZINC000790184269 585960009 /nfs/dbraw/zinc/96/00/09/585960009.db2.gz UEQRVFIHNHQBDX-GFCCVEGCSA-N 0 3 247.386 3.255 20 30 BGEDHN CCC(=NN[C@@H](C)CC)c1ccc(N(C)C)cc1 ZINC000790184270 585959841 /nfs/dbraw/zinc/95/98/41/585959841.db2.gz UEQRVFIHNHQBDX-LBPRGKRZSA-N 0 3 247.386 3.255 20 30 BGEDHN CC[C@@H](C)NN=Cc1ccc(N(CC)CC)cc1 ZINC000790187301 585960253 /nfs/dbraw/zinc/96/02/53/585960253.db2.gz FSKCHWMCHISHBJ-CYBMUJFWSA-N 0 3 247.386 3.255 20 30 BGEDHN CC[C@H](C)NN=Cc1ccc(N(CC)CC)cc1 ZINC000790187304 585960537 /nfs/dbraw/zinc/96/05/37/585960537.db2.gz FSKCHWMCHISHBJ-ZDUSSCGKSA-N 0 3 247.386 3.255 20 30 BGEDHN C#CCN(CCSCc1ccccc1)C1CC1 ZINC000790338675 585963985 /nfs/dbraw/zinc/96/39/85/585963985.db2.gz NVKFUQOGJUYJRK-UHFFFAOYSA-N 0 3 245.391 3.017 20 30 BGEDHN CCCCCCCN(C)Cc1cnn(C)c1C ZINC000790446433 585964853 /nfs/dbraw/zinc/96/48/53/585964853.db2.gz PVQHGEIIUZVUEQ-UHFFFAOYSA-N 0 3 237.391 3.131 20 30 BGEDHN C#CCOc1ccc([C@H](C)NCC=C(C)C)cc1 ZINC000790699199 585967558 /nfs/dbraw/zinc/96/75/58/585967558.db2.gz WDEFVHHSQFAMDZ-AWEZNQCLSA-N 0 3 243.350 3.315 20 30 BGEDHN C#CCOc1ccc([C@@H](C)NCC=C(C)C)cc1 ZINC000790699200 585967729 /nfs/dbraw/zinc/96/77/29/585967729.db2.gz WDEFVHHSQFAMDZ-CQSZACIVSA-N 0 3 243.350 3.315 20 30 BGEDHN C#CCN1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000791550614 585983907 /nfs/dbraw/zinc/98/39/07/585983907.db2.gz VLOBVKYTBGZJNZ-UHFFFAOYSA-N 0 3 247.769 3.327 20 30 BGEDHN C#CCCN(CC(=C)C)Cc1ccccc1 ZINC000791567466 585984464 /nfs/dbraw/zinc/98/44/64/585984464.db2.gz YTSMBBPZRHXVPF-UHFFFAOYSA-N 0 3 213.324 3.088 20 30 BGEDHN C=C(C)CN(CCC(=O)CC)Cc1ccccc1 ZINC000791568536 585984518 /nfs/dbraw/zinc/98/45/18/585984518.db2.gz OUDMGYXCWKEFDN-UHFFFAOYSA-N 0 3 245.366 3.434 20 30 BGEDHN C(#Cc1ccccc1)CN1CCCCCCC1 ZINC000792198223 585997509 /nfs/dbraw/zinc/99/75/09/585997509.db2.gz AEIQTLCHAGFNDK-UHFFFAOYSA-N 0 3 227.351 3.304 20 30 BGEDHN C=CCN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000792207198 585998001 /nfs/dbraw/zinc/99/80/01/585998001.db2.gz XDTRGDXMUJUHSO-UHFFFAOYSA-N 0 3 232.302 3.094 20 30 BGEDHN C#CCN(Cc1cc(C)ccn1)C1CCCCC1 ZINC000792209332 585997926 /nfs/dbraw/zinc/99/79/26/585997926.db2.gz BYCYUTLICLETFR-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN C#CCN(C)Cc1c(C)ccc2ccccc21 ZINC000792298867 585999567 /nfs/dbraw/zinc/99/95/67/585999567.db2.gz VTGGEWHEJIFWGC-UHFFFAOYSA-N 0 3 223.319 3.213 20 30 BGEDHN C=C(C)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900342 586006641 /nfs/dbraw/zinc/00/66/41/586006641.db2.gz BFKNLUVMVLZAOE-VHSXEESVSA-N 0 3 234.170 3.078 20 30 BGEDHN C=C(C)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900343 586006606 /nfs/dbraw/zinc/00/66/06/586006606.db2.gz BFKNLUVMVLZAOE-ZJUUUORDSA-N 0 3 234.170 3.078 20 30 BGEDHN C=C(CC)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792906031 586006845 /nfs/dbraw/zinc/00/68/45/586006845.db2.gz NRUKUKGFGNQODC-MNOVXSKESA-N 0 3 248.197 3.468 20 30 BGEDHN C=C(CC)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906035 586006850 /nfs/dbraw/zinc/00/68/50/586006850.db2.gz NRUKUKGFGNQODC-WDEREUQCSA-N 0 3 248.197 3.468 20 30 BGEDHN C#CCCCN1CCC(CC(F)(F)F)CC1 ZINC000792932838 586007352 /nfs/dbraw/zinc/00/73/52/586007352.db2.gz FCRYMSSGFUCJGQ-UHFFFAOYSA-N 0 3 233.277 3.064 20 30 BGEDHN C#CCCCCNCc1c(F)cccc1CC ZINC000793011794 586008396 /nfs/dbraw/zinc/00/83/96/586008396.db2.gz XLAKPMUBDMJDDA-UHFFFAOYSA-N 0 3 233.330 3.281 20 30 BGEDHN CC(=NNCC1(C)CCCC1)c1ccc(N)cc1 ZINC000793084990 586010038 /nfs/dbraw/zinc/01/00/38/586010038.db2.gz SRIHIRMYQXUZDR-UHFFFAOYSA-N 0 3 245.370 3.163 20 30 BGEDHN C[C@@H](NN=Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000793112024 586010631 /nfs/dbraw/zinc/01/06/31/586010631.db2.gz NGGAOPOPABEBSV-GFCCVEGCSA-N 0 3 247.386 3.111 20 30 BGEDHN C[C@H](NN=Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000793112025 586010651 /nfs/dbraw/zinc/01/06/51/586010651.db2.gz NGGAOPOPABEBSV-LBPRGKRZSA-N 0 3 247.386 3.111 20 30 BGEDHN CC(=NN[C@H](C)C(C)(C)C)c1ccc(N)cc1C ZINC000793112957 586010688 /nfs/dbraw/zinc/01/06/88/586010688.db2.gz YIVRZGHVJCGBPX-GFCCVEGCSA-N 0 3 247.386 3.325 20 30 BGEDHN CC(=NN[C@@H](C)C(C)(C)C)c1ccc(N)cc1C ZINC000793112959 586010499 /nfs/dbraw/zinc/01/04/99/586010499.db2.gz YIVRZGHVJCGBPX-LBPRGKRZSA-N 0 3 247.386 3.325 20 30 BGEDHN CC(=NN[C@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000793115207 586010790 /nfs/dbraw/zinc/01/07/90/586010790.db2.gz LIUWELQNUVXRDU-LLVKDONJSA-N 0 3 233.359 3.017 20 30 BGEDHN CC(=NN[C@@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000793115208 586010849 /nfs/dbraw/zinc/01/08/49/586010849.db2.gz LIUWELQNUVXRDU-NSHDSACASA-N 0 3 233.359 3.017 20 30 BGEDHN CC[C@H](C)CON=C(C)c1ccc(N)cc1C ZINC000793145361 586011539 /nfs/dbraw/zinc/01/15/39/586011539.db2.gz ITIGJZZMTXZINF-JTQLQIEISA-N 0 3 234.343 3.364 20 30 BGEDHN CC[C@@H](C)CON=C(C)c1ccc(N)cc1C ZINC000793145363 586011562 /nfs/dbraw/zinc/01/15/62/586011562.db2.gz ITIGJZZMTXZINF-SNVBAGLBSA-N 0 3 234.343 3.364 20 30 BGEDHN CC[C@H](C)CON=Cc1c(C)cc(N)cc1C ZINC000793146314 583562616 /nfs/dbraw/zinc/56/26/16/583562616.db2.gz PXIOLXSGYJAIAU-JTQLQIEISA-N 0 3 234.343 3.282 20 30 BGEDHN CC[C@@H](C)CON=Cc1c(C)cc(N)cc1C ZINC000793146317 583562417 /nfs/dbraw/zinc/56/24/17/583562417.db2.gz PXIOLXSGYJAIAU-SNVBAGLBSA-N 0 3 234.343 3.282 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@@H](c1ccccc1)C(C)C ZINC000793185586 586013512 /nfs/dbraw/zinc/01/35/12/586013512.db2.gz JRGAWMUQSJCUTG-GDBMZVCRSA-N 0 3 229.367 3.380 20 30 BGEDHN C#C[C@H](C)N(C)C[C@@H](c1ccccc1)C(C)C ZINC000793185590 586013588 /nfs/dbraw/zinc/01/35/88/586013588.db2.gz JRGAWMUQSJCUTG-GOEBONIOSA-N 0 3 229.367 3.380 20 30 BGEDHN C#C[C@H](C)N(C)C[C@H](c1ccccc1)C(C)C ZINC000793185591 586013423 /nfs/dbraw/zinc/01/34/23/586013423.db2.gz JRGAWMUQSJCUTG-HOCLYGCPSA-N 0 3 229.367 3.380 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@H](c1ccccc1)C(C)C ZINC000793185593 586013388 /nfs/dbraw/zinc/01/33/88/586013388.db2.gz JRGAWMUQSJCUTG-ZBFHGGJFSA-N 0 3 229.367 3.380 20 30 BGEDHN C#CCCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000793219640 586014201 /nfs/dbraw/zinc/01/42/01/586014201.db2.gz BSBMSAKXUDNPNB-KBPBESRZSA-N 0 3 243.350 3.071 20 30 BGEDHN C#CCCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000793219641 586014311 /nfs/dbraw/zinc/01/43/11/586014311.db2.gz BSBMSAKXUDNPNB-OKILXGFUSA-N 0 3 243.350 3.071 20 30 BGEDHN C#CCCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000793219642 586014129 /nfs/dbraw/zinc/01/41/29/586014129.db2.gz BSBMSAKXUDNPNB-ZIAGYGMSSA-N 0 3 243.350 3.071 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1cccnc1F ZINC000793285993 586016132 /nfs/dbraw/zinc/01/61/32/586016132.db2.gz RMHKKCCUFGRZBG-CYBMUJFWSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCC[C@H](CCC)NCc1cccnc1F ZINC000793285994 586015942 /nfs/dbraw/zinc/01/59/42/586015942.db2.gz RMHKKCCUFGRZBG-ZDUSSCGKSA-N 0 3 236.334 3.445 20 30 BGEDHN CC(C)(CCC#N)CN1CCC(F)(F)CC1 ZINC000793360502 586016887 /nfs/dbraw/zinc/01/68/87/586016887.db2.gz XUYULBNBNBMHOA-UHFFFAOYSA-N 0 3 230.302 3.047 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387199 586018078 /nfs/dbraw/zinc/01/80/78/586018078.db2.gz APAIXLKKZCSBND-NEPJUHHUSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387200 586018138 /nfs/dbraw/zinc/01/81/38/586018138.db2.gz APAIXLKKZCSBND-NWDGAFQWSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387203 586018057 /nfs/dbraw/zinc/01/80/57/586018057.db2.gz APAIXLKKZCSBND-RYUDHWBXSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793387205 586018239 /nfs/dbraw/zinc/01/82/39/586018239.db2.gz APAIXLKKZCSBND-VXGBXAGGSA-N 0 3 249.354 3.091 20 30 BGEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793391514 586018215 /nfs/dbraw/zinc/01/82/15/586018215.db2.gz YSIRCHQWDNSXIX-CYBMUJFWSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793391517 586018189 /nfs/dbraw/zinc/01/81/89/586018189.db2.gz YSIRCHQWDNSXIX-ZDUSSCGKSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1nccn1C ZINC000793523474 586021630 /nfs/dbraw/zinc/02/16/30/586021630.db2.gz FAGZGTIQVIODQE-CYBMUJFWSA-N 0 3 235.375 3.035 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1nccn1C ZINC000793523476 586021707 /nfs/dbraw/zinc/02/17/07/586021707.db2.gz FAGZGTIQVIODQE-ZDUSSCGKSA-N 0 3 235.375 3.035 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1cc(C)ncn1 ZINC000793545366 586022550 /nfs/dbraw/zinc/02/25/50/586022550.db2.gz BOFBFVVGERCTHG-CYBMUJFWSA-N 0 3 247.386 3.400 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1cc(C)ncn1 ZINC000793545367 586022607 /nfs/dbraw/zinc/02/26/07/586022607.db2.gz BOFBFVVGERCTHG-ZDUSSCGKSA-N 0 3 247.386 3.400 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1ccn(C)n1 ZINC000793548878 586022746 /nfs/dbraw/zinc/02/27/46/586022746.db2.gz WENWEPRTOTYEOJ-CYBMUJFWSA-N 0 3 235.375 3.035 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1ccn(C)n1 ZINC000793548880 586022741 /nfs/dbraw/zinc/02/27/41/586022741.db2.gz WENWEPRTOTYEOJ-ZDUSSCGKSA-N 0 3 235.375 3.035 20 30 BGEDHN C=CCC[C@@H](NCc1cccnc1F)C1CC1 ZINC000794835433 586049957 /nfs/dbraw/zinc/04/99/57/586049957.db2.gz LPEYFKJHBLXTOK-CYBMUJFWSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CCC[C@H](NCc1cccnc1F)C1CC1 ZINC000794835435 586049966 /nfs/dbraw/zinc/04/99/66/586049966.db2.gz LPEYFKJHBLXTOK-ZDUSSCGKSA-N 0 3 234.318 3.055 20 30 BGEDHN Cc1nnc(C)n1N=CC1CCC(C(C)C)CC1 ZINC000794881482 586052966 /nfs/dbraw/zinc/05/29/66/586052966.db2.gz KLGYFGIXNYBVCT-UHFFFAOYSA-N 0 3 248.374 3.191 20 30 BGEDHN C#CCN(CCCCF)Cc1ccc(F)cc1 ZINC000795877781 586093838 /nfs/dbraw/zinc/09/38/38/586093838.db2.gz KZCLWMKQPQZGHD-UHFFFAOYSA-N 0 3 237.293 3.011 20 30 BGEDHN C#CCN(CC)[C@H]1CCc2cc(Cl)ccc21 ZINC000795931973 586094770 /nfs/dbraw/zinc/09/47/70/586094770.db2.gz LTJXCFWHIUPOKA-AWEZNQCLSA-N 0 3 233.742 3.282 20 30 BGEDHN C#CCN(CC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795931975 586094796 /nfs/dbraw/zinc/09/47/96/586094796.db2.gz LTJXCFWHIUPOKA-CQSZACIVSA-N 0 3 233.742 3.282 20 30 BGEDHN C=CCN(C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796014791 586096294 /nfs/dbraw/zinc/09/62/94/586096294.db2.gz KYXZBYMAVLPLEP-CYBMUJFWSA-N 0 3 221.731 3.445 20 30 BGEDHN C=CCN(C)[C@H]1CCc2cc(Cl)ccc21 ZINC000796014796 586096412 /nfs/dbraw/zinc/09/64/12/586096412.db2.gz KYXZBYMAVLPLEP-ZDUSSCGKSA-N 0 3 221.731 3.445 20 30 BGEDHN C=C[C@@H]1CCCCN1CC[C@@H](O)c1ccccc1 ZINC000796050059 586097028 /nfs/dbraw/zinc/09/70/28/586097028.db2.gz NPWJYAKHFOGGOA-HZPDHXFCSA-N 0 3 245.366 3.151 20 30 BGEDHN C#CCN1CCC[C@](C)(c2ccccc2)CC1 ZINC000796201575 586098787 /nfs/dbraw/zinc/09/87/87/586098787.db2.gz LOSHRCJETNBBCW-INIZCTEOSA-N 0 3 227.351 3.063 20 30 BGEDHN C#CCN1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796201577 586098554 /nfs/dbraw/zinc/09/85/54/586098554.db2.gz LOSHRCJETNBBCW-MRXNPFEDSA-N 0 3 227.351 3.063 20 30 BGEDHN C#CCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244178 586099458 /nfs/dbraw/zinc/09/94/58/586099458.db2.gz BQPLXPGPDXUTCD-DZGCQCFKSA-N 0 3 243.350 3.101 20 30 BGEDHN C#CCN1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000796244181 586099522 /nfs/dbraw/zinc/09/95/22/586099522.db2.gz BQPLXPGPDXUTCD-HIFRSBDPSA-N 0 3 243.350 3.101 20 30 BGEDHN C#CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244184 586099405 /nfs/dbraw/zinc/09/94/05/586099405.db2.gz BQPLXPGPDXUTCD-UKRRQHHQSA-N 0 3 243.350 3.101 20 30 BGEDHN C#CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000796244185 586099385 /nfs/dbraw/zinc/09/93/85/586099385.db2.gz BQPLXPGPDXUTCD-ZFWWWQNUSA-N 0 3 243.350 3.101 20 30 BGEDHN CCCCCCCCN1CCN(CC)C[C@@H]1C ZINC000796316732 586100325 /nfs/dbraw/zinc/10/03/25/586100325.db2.gz OGFYXSGJWIOKMT-HNNXBMFYSA-N 0 3 240.435 3.373 20 30 BGEDHN CCCCCCCCN1CCN(CC)C[C@H]1C ZINC000796316733 586100266 /nfs/dbraw/zinc/10/02/66/586100266.db2.gz OGFYXSGJWIOKMT-OAHLLOKOSA-N 0 3 240.435 3.373 20 30 BGEDHN C#CCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000796460438 586104229 /nfs/dbraw/zinc/10/42/29/586104229.db2.gz WRIXXAJPJRWZBH-UHFFFAOYSA-N 0 3 245.753 3.452 20 30 BGEDHN C#CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000796532250 586105916 /nfs/dbraw/zinc/10/59/16/586105916.db2.gz BMGFRUJHPTXIGV-UHFFFAOYSA-N 0 3 233.742 3.153 20 30 BGEDHN C=CCCCCCN1CCC(F)(F)CC1 ZINC000796538215 586106385 /nfs/dbraw/zinc/10/63/85/586106385.db2.gz NLOMNWPLZNVOMW-UHFFFAOYSA-N 0 3 217.303 3.464 20 30 BGEDHN C=C(Cl)CN(CC1CC1)CC1CCC1 ZINC000796573762 586107120 /nfs/dbraw/zinc/10/71/20/586107120.db2.gz FCMCWQXJUFJVDL-UHFFFAOYSA-N 0 3 213.752 3.251 20 30 BGEDHN C=C(Cl)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000796574836 586107085 /nfs/dbraw/zinc/10/70/85/586107085.db2.gz HIZDBSUDANQBFD-LLVKDONJSA-N 0 3 215.768 3.497 20 30 BGEDHN C=C(Cl)CN1CCC[C@H](C(C)(C)C)C1 ZINC000796574848 586107243 /nfs/dbraw/zinc/10/72/43/586107243.db2.gz HIZDBSUDANQBFD-NSHDSACASA-N 0 3 215.768 3.497 20 30 BGEDHN C#CCN1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000796575122 586107042 /nfs/dbraw/zinc/10/70/42/586107042.db2.gz UWUNROIJORRAIO-UHFFFAOYSA-N 0 3 247.769 3.327 20 30 BGEDHN C#CCN1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796585370 586107826 /nfs/dbraw/zinc/10/78/26/586107826.db2.gz RZVWNXLXMNEPNW-INIZCTEOSA-N 0 3 227.351 3.062 20 30 BGEDHN C#CCN1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796585373 586107879 /nfs/dbraw/zinc/10/78/79/586107879.db2.gz RZVWNXLXMNEPNW-MRXNPFEDSA-N 0 3 227.351 3.062 20 30 BGEDHN C#CCN(Cc1ccccc1)[C@H]1C=CCCC1 ZINC000796639529 586109013 /nfs/dbraw/zinc/10/90/13/586109013.db2.gz OKBPXPFFAJDRJQ-INIZCTEOSA-N 0 3 225.335 3.231 20 30 BGEDHN C#CCN(Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000796639532 586109003 /nfs/dbraw/zinc/10/90/03/586109003.db2.gz OKBPXPFFAJDRJQ-MRXNPFEDSA-N 0 3 225.335 3.231 20 30 BGEDHN C#CCN(CCCC=C)Cc1ccccc1 ZINC000796640066 586108824 /nfs/dbraw/zinc/10/88/24/586108824.db2.gz FLQNBZOMFRDCCN-UHFFFAOYSA-N 0 3 213.324 3.088 20 30 BGEDHN C#CCN(CCC(=C)C)Cc1ccccc1 ZINC000796640175 586109154 /nfs/dbraw/zinc/10/91/54/586109154.db2.gz HAKAWRVOJGEOPT-UHFFFAOYSA-N 0 3 213.324 3.088 20 30 BGEDHN C#CCN(CCCCCF)Cc1ccccc1 ZINC000796641863 586109070 /nfs/dbraw/zinc/10/90/70/586109070.db2.gz VUHHLHAJHUXCQA-UHFFFAOYSA-N 0 3 233.330 3.262 20 30 BGEDHN C=CCC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000796708272 586110392 /nfs/dbraw/zinc/11/03/92/586110392.db2.gz TVLQCHLXDCAUKF-JTQLQIEISA-N 0 3 248.351 3.230 20 30 BGEDHN C=CCC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000796708274 586110532 /nfs/dbraw/zinc/11/05/32/586110532.db2.gz TVLQCHLXDCAUKF-SNVBAGLBSA-N 0 3 248.351 3.230 20 30 BGEDHN CC(C)[C@@H]1CC[C@H]1NCc1ccc(C#N)cc1F ZINC000796760470 586111851 /nfs/dbraw/zinc/11/18/51/586111851.db2.gz DXVVBXWUZKSXMG-DZGCQCFKSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@H]1CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000796760473 586111807 /nfs/dbraw/zinc/11/18/07/586111807.db2.gz DXVVBXWUZKSXMG-HIFRSBDPSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@H]1CC[C@H]1NCc1ccc(C#N)cc1F ZINC000796760476 586111871 /nfs/dbraw/zinc/11/18/71/586111871.db2.gz DXVVBXWUZKSXMG-UKRRQHHQSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000796761212 586111716 /nfs/dbraw/zinc/11/17/16/586111716.db2.gz DXVVBXWUZKSXMG-ZFWWWQNUSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@@H]1CC[C@H]1NCc1cc(C#N)ccc1F ZINC000796829598 586114023 /nfs/dbraw/zinc/11/40/23/586114023.db2.gz XQKJVMAPWJDWEH-DZGCQCFKSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@H]1CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000796829599 586113956 /nfs/dbraw/zinc/11/39/56/586113956.db2.gz XQKJVMAPWJDWEH-HIFRSBDPSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@H]1CC[C@H]1NCc1cc(C#N)ccc1F ZINC000796829600 586113943 /nfs/dbraw/zinc/11/39/43/586113943.db2.gz XQKJVMAPWJDWEH-UKRRQHHQSA-N 0 3 246.329 3.222 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H]1NCc1cc(C#N)ccc1F ZINC000796829601 586113949 /nfs/dbraw/zinc/11/39/49/586113949.db2.gz XQKJVMAPWJDWEH-ZFWWWQNUSA-N 0 3 246.329 3.222 20 30 BGEDHN C=CCC[C@H](NCCOC1CCC1)c1ccco1 ZINC000796886562 586116454 /nfs/dbraw/zinc/11/64/54/586116454.db2.gz CKPDWEFAQCBFPM-AWEZNQCLSA-N 0 3 249.354 3.446 20 30 BGEDHN C=CCC[C@@H](NCCOC1CCC1)c1ccco1 ZINC000796886563 586116444 /nfs/dbraw/zinc/11/64/44/586116444.db2.gz CKPDWEFAQCBFPM-CQSZACIVSA-N 0 3 249.354 3.446 20 30 BGEDHN C[C@H](NCC1(CC#N)CC1)c1ccnc(Cl)c1 ZINC000797586724 586129140 /nfs/dbraw/zinc/12/91/40/586129140.db2.gz LJXICSBUILILTA-JTQLQIEISA-N 0 3 249.745 3.079 20 30 BGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccnc(Cl)c1 ZINC000797586725 586129184 /nfs/dbraw/zinc/12/91/84/586129184.db2.gz LJXICSBUILILTA-SNVBAGLBSA-N 0 3 249.745 3.079 20 30 BGEDHN CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1[O-] ZINC000797586934 586129096 /nfs/dbraw/zinc/12/90/96/586129096.db2.gz NTDUAGHPJOCQOB-CYBMUJFWSA-N 0 3 244.338 3.127 20 30 BGEDHN CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1[O-] ZINC000797586935 586129159 /nfs/dbraw/zinc/12/91/59/586129159.db2.gz NTDUAGHPJOCQOB-ZDUSSCGKSA-N 0 3 244.338 3.127 20 30 BGEDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000797586960 586129093 /nfs/dbraw/zinc/12/90/93/586129093.db2.gz OEOOBRIEFDDHNP-GFCCVEGCSA-N 0 3 244.338 3.045 20 30 BGEDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000797586961 586129218 /nfs/dbraw/zinc/12/92/18/586129218.db2.gz OEOOBRIEFDDHNP-LBPRGKRZSA-N 0 3 244.338 3.045 20 30 BGEDHN Cc1ccc2c(c1)CC[C@@H]2NCC1(CC#N)CC1 ZINC000797587280 586129104 /nfs/dbraw/zinc/12/91/04/586129104.db2.gz SILKJNPZZPRBQY-HNNXBMFYSA-N 0 3 240.350 3.266 20 30 BGEDHN Cc1ccc2c(c1)CC[C@H]2NCC1(CC#N)CC1 ZINC000797587283 586129012 /nfs/dbraw/zinc/12/90/12/586129012.db2.gz SILKJNPZZPRBQY-OAHLLOKOSA-N 0 3 240.350 3.266 20 30 BGEDHN Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c([O-])c1 ZINC000797587334 586129075 /nfs/dbraw/zinc/12/90/75/586129075.db2.gz SXSBLLJABFVKPT-GFCCVEGCSA-N 0 3 244.338 3.045 20 30 BGEDHN Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)c([O-])c1 ZINC000797587335 586129175 /nfs/dbraw/zinc/12/91/75/586129175.db2.gz SXSBLLJABFVKPT-LBPRGKRZSA-N 0 3 244.338 3.045 20 30 BGEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)nc1 ZINC000797587368 586129173 /nfs/dbraw/zinc/12/91/73/586129173.db2.gz UEINDHOJRUBUDZ-JTQLQIEISA-N 0 3 249.745 3.079 20 30 BGEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)nc1 ZINC000797587369 586129181 /nfs/dbraw/zinc/12/91/81/586129181.db2.gz UEINDHOJRUBUDZ-SNVBAGLBSA-N 0 3 249.745 3.079 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(C)nc(Cl)c1 ZINC000797589155 586129522 /nfs/dbraw/zinc/12/95/22/586129522.db2.gz SUILZUCPSHFKPM-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN C=CCN(Cc1cc(C)nc(Cl)c1)C(C)C ZINC000797589921 586129452 /nfs/dbraw/zinc/12/94/52/586129452.db2.gz RUFYXXAHLQFMJB-UHFFFAOYSA-N 0 3 238.762 3.440 20 30 BGEDHN C=CCCCN(C)Cc1cc(C)nc(Cl)c1 ZINC000797591927 586129339 /nfs/dbraw/zinc/12/93/39/586129339.db2.gz XCHBMDXWDBJGEE-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN C=CCCN(C)Cc1cc(C)nc(Cl)c1 ZINC000797603607 586129282 /nfs/dbraw/zinc/12/92/82/586129282.db2.gz RGEMJORHYSXYKF-UHFFFAOYSA-N 0 3 224.735 3.051 20 30 BGEDHN N#CC1(CNC2CCC(C(F)(F)F)CC2)CC1 ZINC000797605854 586129322 /nfs/dbraw/zinc/12/93/22/586129322.db2.gz VWPMWABOFTUNBS-UHFFFAOYSA-N 0 3 246.276 3.001 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000798500855 586144483 /nfs/dbraw/zinc/14/44/83/586144483.db2.gz CEUKBNVTGAMEKX-AWEZNQCLSA-N 0 3 233.355 3.453 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000798500856 586144398 /nfs/dbraw/zinc/14/43/98/586144398.db2.gz CEUKBNVTGAMEKX-CQSZACIVSA-N 0 3 233.355 3.453 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000798501607 586144300 /nfs/dbraw/zinc/14/43/00/586144300.db2.gz KMCPAESTAJEVIQ-CYBMUJFWSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000798501610 586144306 /nfs/dbraw/zinc/14/43/06/586144306.db2.gz KMCPAESTAJEVIQ-ZDUSSCGKSA-N 0 3 249.354 3.235 20 30 BGEDHN C=CCN(Cc1cn(C(C)C)nc1C)C(C)C ZINC000798942654 586154131 /nfs/dbraw/zinc/15/41/31/586154131.db2.gz YOUHFUJCNJAMCT-UHFFFAOYSA-N 0 3 235.375 3.169 20 30 BGEDHN CCc1cccc(C)c1N=NC1C[C@@H](C)N(C)C1 ZINC000799493854 583961984 /nfs/dbraw/zinc/96/19/84/583961984.db2.gz SFEDLGCMBQDIDM-GFCCVEGCSA-N 0 3 245.370 3.049 20 30 BGEDHN CCc1cccc(C)c1N=NC1C[C@H](C)N(C)C1 ZINC000799493855 583961639 /nfs/dbraw/zinc/96/16/39/583961639.db2.gz SFEDLGCMBQDIDM-LBPRGKRZSA-N 0 3 245.370 3.049 20 30 BGEDHN C#CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000799720199 586194256 /nfs/dbraw/zinc/19/42/56/586194256.db2.gz DZYRSSFWERSNQO-BMFZPTHFSA-N 0 3 238.334 3.033 20 30 BGEDHN C#CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000799720201 583965971 /nfs/dbraw/zinc/96/59/71/583965971.db2.gz DZYRSSFWERSNQO-BPUTZDHNSA-N 0 3 238.334 3.033 20 30 BGEDHN C#CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000799720208 583966011 /nfs/dbraw/zinc/96/60/11/583966011.db2.gz DZYRSSFWERSNQO-IMJJTQAJSA-N 0 3 238.334 3.033 20 30 BGEDHN C#CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000799720210 583965716 /nfs/dbraw/zinc/96/57/16/583965716.db2.gz DZYRSSFWERSNQO-KBMXLJTQSA-N 0 3 238.334 3.033 20 30 BGEDHN C=CC[C@@H](N[C@@H](C)COC(C)C)c1ccncc1 ZINC000800238230 586206204 /nfs/dbraw/zinc/20/62/04/586206204.db2.gz COICFBUJCULPHN-DZGCQCFKSA-N 0 3 248.370 3.102 20 30 BGEDHN C=CC[C@H](N[C@H](C)COC(C)C)c1ccncc1 ZINC000800238231 586206237 /nfs/dbraw/zinc/20/62/37/586206237.db2.gz COICFBUJCULPHN-HIFRSBDPSA-N 0 3 248.370 3.102 20 30 BGEDHN C=CC[C@@H](N[C@H](C)COC(C)C)c1ccncc1 ZINC000800238232 586206176 /nfs/dbraw/zinc/20/61/76/586206176.db2.gz COICFBUJCULPHN-UKRRQHHQSA-N 0 3 248.370 3.102 20 30 BGEDHN C=CC[C@H](N[C@@H](C)COC(C)C)c1ccncc1 ZINC000800238233 586205787 /nfs/dbraw/zinc/20/57/87/586205787.db2.gz COICFBUJCULPHN-ZFWWWQNUSA-N 0 3 248.370 3.102 20 30 BGEDHN C#CC[C@@H](N[C@H](C)COC(C)C)c1ccccc1 ZINC000800254920 586207368 /nfs/dbraw/zinc/20/73/68/586207368.db2.gz XJQBMNFOJXJINL-GDBMZVCRSA-N 0 3 245.366 3.154 20 30 BGEDHN C#CC[C@@H](N[C@@H](C)COC(C)C)c1ccccc1 ZINC000800254921 586207322 /nfs/dbraw/zinc/20/73/22/586207322.db2.gz XJQBMNFOJXJINL-GOEBONIOSA-N 0 3 245.366 3.154 20 30 BGEDHN C#CC[C@H](N[C@@H](C)COC(C)C)c1ccccc1 ZINC000800254922 586206515 /nfs/dbraw/zinc/20/65/15/586206515.db2.gz XJQBMNFOJXJINL-HOCLYGCPSA-N 0 3 245.366 3.154 20 30 BGEDHN C#CC[C@H](N[C@H](C)COC(C)C)c1ccccc1 ZINC000800254923 586206700 /nfs/dbraw/zinc/20/67/00/586206700.db2.gz XJQBMNFOJXJINL-ZBFHGGJFSA-N 0 3 245.366 3.154 20 30 BGEDHN C#CCN(CC)CCSC1CCCCC1 ZINC000800349091 586213450 /nfs/dbraw/zinc/21/34/50/586213450.db2.gz ZELXCQMESTXTGP-UHFFFAOYSA-N 0 3 225.401 3.007 20 30 BGEDHN C#CCN(CCSC1CCCCC1)C1CC1 ZINC000800373272 586214210 /nfs/dbraw/zinc/21/42/10/586214210.db2.gz XTJRWANBMDGKLC-UHFFFAOYSA-N 0 3 237.412 3.150 20 30 BGEDHN C#C[C@@H](C)N(C)CCSC1CCCCC1 ZINC000800381837 586214578 /nfs/dbraw/zinc/21/45/78/586214578.db2.gz KPEWBGOCRRPKCE-GFCCVEGCSA-N 0 3 225.401 3.006 20 30 BGEDHN C#C[C@H](C)N(C)CCSC1CCCCC1 ZINC000800381838 586214410 /nfs/dbraw/zinc/21/44/10/586214410.db2.gz KPEWBGOCRRPKCE-LBPRGKRZSA-N 0 3 225.401 3.006 20 30 BGEDHN C#CCCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000800473380 644834448 /nfs/dbraw/zinc/83/44/48/644834448.db2.gz UMNZDRMWDREPJZ-INIZCTEOSA-N 0 3 245.341 3.279 20 30 BGEDHN C#CCCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000800473381 644835139 /nfs/dbraw/zinc/83/51/39/644835139.db2.gz UMNZDRMWDREPJZ-MRXNPFEDSA-N 0 3 245.341 3.279 20 30 BGEDHN N#Cc1ccc(F)c(CN[C@H]2CCC23CCC3)c1 ZINC000800481842 586222333 /nfs/dbraw/zinc/22/23/33/586222333.db2.gz HBTQHTGSBCDCNZ-AWEZNQCLSA-N 0 3 244.313 3.120 20 30 BGEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC23CCC3)c1 ZINC000800481843 586221925 /nfs/dbraw/zinc/22/19/25/586221925.db2.gz HBTQHTGSBCDCNZ-CQSZACIVSA-N 0 3 244.313 3.120 20 30 BGEDHN CCCCCCCN[C@H](C)c1cc(C)n(C)n1 ZINC000800483277 586222168 /nfs/dbraw/zinc/22/21/68/586222168.db2.gz FBXABSXUJNYRFH-CYBMUJFWSA-N 0 3 237.391 3.350 20 30 BGEDHN CCCCCCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000800483278 586222108 /nfs/dbraw/zinc/22/21/08/586222108.db2.gz FBXABSXUJNYRFH-ZDUSSCGKSA-N 0 3 237.391 3.350 20 30 BGEDHN CSC1(C=Nn2cnc3ccccc32)CCC1 ZINC000800809348 586230531 /nfs/dbraw/zinc/23/05/31/586230531.db2.gz KKCLKBVMRKFMRJ-UHFFFAOYSA-N 0 3 245.351 3.156 20 30 BGEDHN CC#CC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801595295 586265129 /nfs/dbraw/zinc/26/51/29/586265129.db2.gz KZVQBIYYHONEBA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN CC#CC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801595295 586265128 /nfs/dbraw/zinc/26/51/28/586265128.db2.gz KZVQBIYYHONEBA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C=CC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801596495 586265746 /nfs/dbraw/zinc/26/57/46/586265746.db2.gz BNIWFNUDBXMOIK-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN C=CC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801596495 586265744 /nfs/dbraw/zinc/26/57/44/586265744.db2.gz BNIWFNUDBXMOIK-UHFFFAOYSA-N 0 3 219.328 3.180 20 30 BGEDHN CC#CCC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801597063 586265958 /nfs/dbraw/zinc/26/59/58/586265958.db2.gz ZIPBGHUESHNHCP-UHFFFAOYSA-N 0 3 245.366 3.408 20 30 BGEDHN CC#CCC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801597063 586265955 /nfs/dbraw/zinc/26/59/55/586265955.db2.gz ZIPBGHUESHNHCP-UHFFFAOYSA-N 0 3 245.366 3.408 20 30 BGEDHN C=CCN(CC=C)CCSC(C)(C)C ZINC000801915295 584614280 /nfs/dbraw/zinc/61/42/80/584614280.db2.gz PJHWCEPOPRNCIN-UHFFFAOYSA-N 0 3 213.390 3.192 20 30 BGEDHN C=C1CCN(CCSC(C)(C)C)CC1 ZINC000801918853 586276989 /nfs/dbraw/zinc/27/69/89/586276989.db2.gz AMZBFEWVBBOEAZ-UHFFFAOYSA-N 0 3 213.390 3.170 20 30 BGEDHN C=CCN(CCSC(C)(C)C)C1CC1 ZINC000801940678 586280472 /nfs/dbraw/zinc/28/04/72/586280472.db2.gz PNGOOLZPRYUKIT-UHFFFAOYSA-N 0 3 213.390 3.169 20 30 BGEDHN CCCCCCCN1CC[C@H](OC(F)F)C1 ZINC000801987476 586285034 /nfs/dbraw/zinc/28/50/34/586285034.db2.gz IVCTYOGXEXEFPP-NSHDSACASA-N 0 3 235.318 3.270 20 30 BGEDHN CCCCCCCCCN1CC[C@@](F)(CO)C1 ZINC000802014308 586286124 /nfs/dbraw/zinc/28/61/24/586286124.db2.gz PTOWOVRISYSPMS-AWEZNQCLSA-N 0 3 245.382 3.143 20 30 BGEDHN CCCCCCCCCN1CC[C@](F)(CO)C1 ZINC000802014311 586286106 /nfs/dbraw/zinc/28/61/06/586286106.db2.gz PTOWOVRISYSPMS-CQSZACIVSA-N 0 3 245.382 3.143 20 30 BGEDHN C#CCCN(C)[C@@H](CC)c1ccccc1OC ZINC000805835971 585909288 /nfs/dbraw/zinc/90/92/88/585909288.db2.gz XWBULJSGRKHCDF-AWEZNQCLSA-N 0 3 231.339 3.101 20 30 BGEDHN C#CCCN(C)[C@H](CC)c1ccccc1OC ZINC000805835972 585909335 /nfs/dbraw/zinc/90/93/35/585909335.db2.gz XWBULJSGRKHCDF-CQSZACIVSA-N 0 3 231.339 3.101 20 30 BGEDHN C=C(Cl)CN(C)C1CCC(F)(F)CC1 ZINC000805840578 585910273 /nfs/dbraw/zinc/91/02/73/585910273.db2.gz SVUGVHDBCCZPNE-UHFFFAOYSA-N 0 3 223.694 3.249 20 30 BGEDHN C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1[O-] ZINC000806178089 586407522 /nfs/dbraw/zinc/40/75/22/586407522.db2.gz OODRPDZLLRFMCV-GFCCVEGCSA-N 0 3 246.354 3.373 20 30 BGEDHN C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1[O-] ZINC000806178090 586407415 /nfs/dbraw/zinc/40/74/15/586407415.db2.gz OODRPDZLLRFMCV-LBPRGKRZSA-N 0 3 246.354 3.373 20 30 BGEDHN C=CCCCCCCCCNC(=O)C(C)C#N ZINC000807844244 586449930 /nfs/dbraw/zinc/44/99/30/586449930.db2.gz WSGMZNACLABPJH-CYBMUJFWSA-N 0 3 236.359 3.179 20 30 BGEDHN C=CCCCCCCCCNC(=O)C(C)C#N ZINC000807844245 586450028 /nfs/dbraw/zinc/45/00/28/586450028.db2.gz WSGMZNACLABPJH-ZDUSSCGKSA-N 0 3 236.359 3.179 20 30 BGEDHN CC(=NNCC1CCCC1)c1ccc(N)cc1C ZINC000808005921 644869368 /nfs/dbraw/zinc/86/93/68/644869368.db2.gz MPSXALGCJMIZGE-UHFFFAOYSA-N 0 3 245.370 3.081 20 30 BGEDHN CCCCCCCCCNCc1cn(C)cn1 ZINC000808376004 586470390 /nfs/dbraw/zinc/47/03/90/586470390.db2.gz OCTWEWPZINCTSJ-UHFFFAOYSA-N 0 3 237.391 3.260 20 30 BGEDHN C=CCCCCCCNCc1cnc(C)nc1 ZINC000808419631 586471583 /nfs/dbraw/zinc/47/15/83/586471583.db2.gz VPXBGVYSZAFCID-UHFFFAOYSA-N 0 3 233.359 3.011 20 30 BGEDHN CCCC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000808716417 586483579 /nfs/dbraw/zinc/48/35/79/586483579.db2.gz WXMCQSBOIBSQJS-CHWSQXEVSA-N 0 3 245.370 3.258 20 30 BGEDHN CCCC[C@@H](C)[C@H](C)NCc1ccc(C#N)cn1 ZINC000808716430 586483664 /nfs/dbraw/zinc/48/36/64/586483664.db2.gz WXMCQSBOIBSQJS-OLZOCXBDSA-N 0 3 245.370 3.258 20 30 BGEDHN CCCC[C@H](C)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000808716431 586483637 /nfs/dbraw/zinc/48/36/37/586483637.db2.gz WXMCQSBOIBSQJS-QWHCGFSZSA-N 0 3 245.370 3.258 20 30 BGEDHN CCCC[C@H](C)[C@H](C)NCc1ccc(C#N)cn1 ZINC000808716432 586483958 /nfs/dbraw/zinc/48/39/58/586483958.db2.gz WXMCQSBOIBSQJS-STQMWFEESA-N 0 3 245.370 3.258 20 30 BGEDHN C=C[C@@H]1CCCCN1CC[C@H](O)c1ccccc1 ZINC000808754289 586488083 /nfs/dbraw/zinc/48/80/83/586488083.db2.gz NPWJYAKHFOGGOA-CVEARBPZSA-N 0 3 245.366 3.151 20 30 BGEDHN C=C[C@H]1CCCCN1CC[C@H](O)c1ccccc1 ZINC000808754292 586488550 /nfs/dbraw/zinc/48/85/50/586488550.db2.gz NPWJYAKHFOGGOA-HOTGVXAUSA-N 0 3 245.366 3.151 20 30 BGEDHN C#CCN[C@H](C)c1ccc(F)c2ccccc21 ZINC000808768772 586488761 /nfs/dbraw/zinc/48/87/61/586488761.db2.gz QGDDVOSHACXZJF-LLVKDONJSA-N 0 3 227.282 3.263 20 30 BGEDHN C#CCN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000808768775 586489141 /nfs/dbraw/zinc/48/91/41/586489141.db2.gz QGDDVOSHACXZJF-NSHDSACASA-N 0 3 227.282 3.263 20 30 BGEDHN C#Cc1ccc(CN(C)Cc2cccs2)cc1 ZINC000809538258 586506281 /nfs/dbraw/zinc/50/62/81/586506281.db2.gz LSKUAYZZUKDSQG-UHFFFAOYSA-N 0 3 241.359 3.361 20 30 BGEDHN C[C@@H](NCC(C)(C)C#N)C(C)(C)c1ccccc1 ZINC000809578021 586507685 /nfs/dbraw/zinc/50/76/85/586507685.db2.gz HAVQNQICSDZHGD-CYBMUJFWSA-N 0 3 244.382 3.492 20 30 BGEDHN C[C@H](NCC(C)(C)C#N)C(C)(C)c1ccccc1 ZINC000809578022 586507771 /nfs/dbraw/zinc/50/77/71/586507771.db2.gz HAVQNQICSDZHGD-ZDUSSCGKSA-N 0 3 244.382 3.492 20 30 BGEDHN C#Cc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000809578138 586508110 /nfs/dbraw/zinc/50/81/10/586508110.db2.gz IBYMBUPMDZCZAN-UHFFFAOYSA-N 0 3 249.304 3.145 20 30 BGEDHN C#CCN(Cc1ccc(C#C)cc1)C1CCCC1 ZINC000809586480 586508363 /nfs/dbraw/zinc/50/83/63/586508363.db2.gz QPTCIPMTHRDAFK-UHFFFAOYSA-N 0 3 237.346 3.046 20 30 BGEDHN C#Cc1ccc(CNCc2ccc(C)cc2)cc1 ZINC000809602199 586509168 /nfs/dbraw/zinc/50/91/68/586509168.db2.gz SZJMJJAWPBGQKN-UHFFFAOYSA-N 0 3 235.330 3.266 20 30 BGEDHN C#Cc1ccc(CNCc2ccccc2C)cc1 ZINC000809602620 586509144 /nfs/dbraw/zinc/50/91/44/586509144.db2.gz TXCKAJFXTYHYSE-UHFFFAOYSA-N 0 3 235.330 3.266 20 30 BGEDHN C#Cc1ccc(CNCc2cccc(F)c2)cc1 ZINC000809602904 586509046 /nfs/dbraw/zinc/50/90/46/586509046.db2.gz CZRZXVLNWSMHGB-UHFFFAOYSA-N 0 3 239.293 3.097 20 30 BGEDHN C#Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000809602974 586509066 /nfs/dbraw/zinc/50/90/66/586509066.db2.gz FQIHLIGELCUPPP-GOSISDBHSA-N 0 3 247.341 3.445 20 30 BGEDHN C#Cc1ccc(CNCc2cccc(C)c2)cc1 ZINC000809604733 586509138 /nfs/dbraw/zinc/50/91/38/586509138.db2.gz ZECFNUOFTPWLPR-UHFFFAOYSA-N 0 3 235.330 3.266 20 30 BGEDHN C#Cc1ccc(CNCc2ccc(C)s2)cc1 ZINC000809605878 586509091 /nfs/dbraw/zinc/50/90/91/586509091.db2.gz JBZANPWNUOTGBM-UHFFFAOYSA-N 0 3 241.359 3.328 20 30 BGEDHN C#Cc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000809613914 586509429 /nfs/dbraw/zinc/50/94/29/586509429.db2.gz HJTRZIKLMUWNRF-UHFFFAOYSA-N 0 3 247.341 3.447 20 30 BGEDHN C#Cc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000809618879 586509611 /nfs/dbraw/zinc/50/96/11/586509611.db2.gz QNLMDMBXFFQZPI-RMKNXTFCSA-N 0 3 247.341 3.471 20 30 BGEDHN C#Cc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000809618880 586509482 /nfs/dbraw/zinc/50/94/82/586509482.db2.gz QNLMDMBXFFQZPI-TWGQIWQCSA-N 0 3 247.341 3.471 20 30 BGEDHN CC(C)C[C@@H](C)CNCc1cc(C#N)ccc1F ZINC000809623967 586510009 /nfs/dbraw/zinc/51/00/09/586510009.db2.gz FWEGIZYDAJRBOT-GFCCVEGCSA-N 0 3 248.345 3.469 20 30 BGEDHN CC(C)C[C@H](C)CNCc1cc(C#N)ccc1F ZINC000809623968 586510044 /nfs/dbraw/zinc/51/00/44/586510044.db2.gz FWEGIZYDAJRBOT-LBPRGKRZSA-N 0 3 248.345 3.469 20 30 BGEDHN C#Cc1ccc(CNc2cc(C)cc(C)n2)cc1 ZINC000809627932 586509939 /nfs/dbraw/zinc/50/99/39/586509939.db2.gz LQUQNSVJQXIFOS-UHFFFAOYSA-N 0 3 236.318 3.292 20 30 BGEDHN C#CCN(Cc1ccc2occc2c1)C1CC1 ZINC000809640747 712584815 /nfs/dbraw/zinc/58/48/15/712584815.db2.gz LKKOWGGILNLSBE-UHFFFAOYSA-N 0 3 225.291 3.030 20 30 BGEDHN C#Cc1ccc(CNCc2cscc2C)cc1 ZINC000809655264 586511240 /nfs/dbraw/zinc/51/12/40/586511240.db2.gz HASWJRJRYJKVFM-UHFFFAOYSA-N 0 3 241.359 3.328 20 30 BGEDHN C#Cc1ccc(CN2CCCC[C@@H]2C=C)cc1 ZINC000809655815 586511304 /nfs/dbraw/zinc/51/13/04/586511304.db2.gz LMVNTMIXCSYMQL-INIZCTEOSA-N 0 3 225.335 3.208 20 30 BGEDHN C#Cc1ccc(CN2CCCC[C@H]2C=C)cc1 ZINC000809655817 586511137 /nfs/dbraw/zinc/51/11/37/586511137.db2.gz LMVNTMIXCSYMQL-MRXNPFEDSA-N 0 3 225.335 3.208 20 30 BGEDHN C#C[C@H](C)NCc1ccc(C(F)(F)F)cc1C ZINC000809683733 586512394 /nfs/dbraw/zinc/51/23/94/586512394.db2.gz MFQZXIBKERUJQU-JTQLQIEISA-N 0 3 241.256 3.125 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(C(F)(F)F)cc1C ZINC000809683734 586512294 /nfs/dbraw/zinc/51/22/94/586512294.db2.gz MFQZXIBKERUJQU-SNVBAGLBSA-N 0 3 241.256 3.125 20 30 BGEDHN C#C[C@@H](C)NCc1cccc(OC2CCCC2)c1 ZINC000809684074 586512422 /nfs/dbraw/zinc/51/24/22/586512422.db2.gz LSYKWRSKNRQUPD-CYBMUJFWSA-N 0 3 243.350 3.119 20 30 BGEDHN C#C[C@H](C)NCc1cccc(OC2CCCC2)c1 ZINC000809684075 586512468 /nfs/dbraw/zinc/51/24/68/586512468.db2.gz LSYKWRSKNRQUPD-ZDUSSCGKSA-N 0 3 243.350 3.119 20 30 BGEDHN C#C[C@H](C)NCc1ccccc1-c1ccccc1 ZINC000809684295 586512065 /nfs/dbraw/zinc/51/20/65/586512065.db2.gz XPPBOHIISGEFIC-AWEZNQCLSA-N 0 3 235.330 3.465 20 30 BGEDHN C#C[C@@H](C)NCc1ccccc1-c1ccccc1 ZINC000809684296 586512092 /nfs/dbraw/zinc/51/20/92/586512092.db2.gz XPPBOHIISGEFIC-CQSZACIVSA-N 0 3 235.330 3.465 20 30 BGEDHN C#C[C@H](NC/C(C)=C\c1ccccc1)C(C)C ZINC000809685143 586512172 /nfs/dbraw/zinc/51/21/72/586512172.db2.gz BJTSXKQEOXRUOR-QBOMHBFWSA-N 0 3 227.351 3.337 20 30 BGEDHN C#C[C@@H](NC/C(C)=C\c1ccccc1)C(C)C ZINC000809685144 586512426 /nfs/dbraw/zinc/51/24/26/586512426.db2.gz BJTSXKQEOXRUOR-SYCZXOQXSA-N 0 3 227.351 3.337 20 30 BGEDHN C#C[C@H](NC/C(C)=C/c1ccccc1)C(C)C ZINC000809685145 586512418 /nfs/dbraw/zinc/51/24/18/586512418.db2.gz BJTSXKQEOXRUOR-UKYUDJEDSA-N 0 3 227.351 3.337 20 30 BGEDHN C#C[C@@H](NC/C(C)=C/c1ccccc1)C(C)C ZINC000809685146 586512378 /nfs/dbraw/zinc/51/23/78/586512378.db2.gz BJTSXKQEOXRUOR-WSYSLRRZSA-N 0 3 227.351 3.337 20 30 BGEDHN C#C[C@H](NCc1cccn1CCC(C)C)C(C)C ZINC000809685151 586512190 /nfs/dbraw/zinc/51/21/90/586512190.db2.gz BOPZMUNLPSIFKD-INIZCTEOSA-N 0 3 246.398 3.282 20 30 BGEDHN C#C[C@@H](NCc1cccn1CCC(C)C)C(C)C ZINC000809685152 586512242 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BAUGVGMYLVWOBG-ZDUSSCGKSA-N 0 3 227.351 3.456 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000812792571 586585670 /nfs/dbraw/zinc/58/56/70/586585670.db2.gz DMVNUZYBCWEMCW-CQDKDKBSSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000812792574 586585541 /nfs/dbraw/zinc/58/55/41/586585541.db2.gz DMVNUZYBCWEMCW-DFBGVHRSSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000812792576 586585444 /nfs/dbraw/zinc/58/54/44/586585444.db2.gz DMVNUZYBCWEMCW-GLQYFDAESA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000812792578 586585498 /nfs/dbraw/zinc/58/54/98/586585498.db2.gz DMVNUZYBCWEMCW-UGFHNGPFSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](NC[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792612 586585514 /nfs/dbraw/zinc/58/55/14/586585514.db2.gz FEFNCXATEMMINN-BBRMVZONSA-N 0 3 243.325 3.446 20 30 BGEDHN C#C[C@H](NC[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792614 582566409 /nfs/dbraw/zinc/56/64/09/582566409.db2.gz FEFNCXATEMMINN-CJNGLKHVSA-N 0 3 243.325 3.446 20 30 BGEDHN C#C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792615 582566402 /nfs/dbraw/zinc/56/64/02/582566402.db2.gz FEFNCXATEMMINN-CZUORRHYSA-N 0 3 243.325 3.446 20 30 BGEDHN C#C[C@@H](NC[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792616 582566424 /nfs/dbraw/zinc/56/64/24/582566424.db2.gz FEFNCXATEMMINN-XJKSGUPXSA-N 0 3 243.325 3.446 20 30 BGEDHN C#C[C@H](NC1CC(C)(C)C1)c1ccc(F)cc1 ZINC000812792771 586585603 /nfs/dbraw/zinc/58/56/03/586585603.db2.gz GSNWSAJTQHUEHE-AWEZNQCLSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@@H](NC1CC(C)(C)C1)c1ccc(F)cc1 ZINC000812792773 586585659 /nfs/dbraw/zinc/58/56/59/586585659.db2.gz GSNWSAJTQHUEHE-CQSZACIVSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792908 586585459 /nfs/dbraw/zinc/58/54/59/586585459.db2.gz KSWDPQXMKKFXRS-ABAIWWIYSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@@H](N[C@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792909 586585553 /nfs/dbraw/zinc/58/55/53/586585553.db2.gz KSWDPQXMKKFXRS-IAQYHMDHSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792910 586585419 /nfs/dbraw/zinc/58/54/19/586585419.db2.gz KSWDPQXMKKFXRS-NHYWBVRUSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@@H](N[C@@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792911 586585545 /nfs/dbraw/zinc/58/55/45/586585545.db2.gz KSWDPQXMKKFXRS-XHDPSFHLSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792943 586585543 /nfs/dbraw/zinc/58/55/43/586585543.db2.gz LPMLVORLJXMBJH-ABAIWWIYSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@@H](N[C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792944 643380131 /nfs/dbraw/zinc/38/01/31/643380131.db2.gz LPMLVORLJXMBJH-IAQYHMDHSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792945 643380447 /nfs/dbraw/zinc/38/04/47/643380447.db2.gz LPMLVORLJXMBJH-NHYWBVRUSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@@H](N[C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792949 643380232 /nfs/dbraw/zinc/38/02/32/643380232.db2.gz LPMLVORLJXMBJH-XHDPSFHLSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](NC1CCCCC1)c1ccc(F)cc1 ZINC000812793197 586585665 /nfs/dbraw/zinc/58/56/65/586585665.db2.gz OIODOXBTAPNSCA-HNNXBMFYSA-N 0 3 231.314 3.422 20 30 BGEDHN C#C[C@@H](NC1CCCCC1)c1ccc(F)cc1 ZINC000812793198 586585584 /nfs/dbraw/zinc/58/55/84/586585584.db2.gz OIODOXBTAPNSCA-OAHLLOKOSA-N 0 3 231.314 3.422 20 30 BGEDHN C#C[C@H](N[C@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793615 586585442 /nfs/dbraw/zinc/58/54/42/586585442.db2.gz XATRQBCGOWJTPQ-DOMZBBRYSA-N 0 3 231.314 3.444 20 30 BGEDHN C#C[C@@H](N[C@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793617 586585376 /nfs/dbraw/zinc/58/53/76/586585376.db2.gz XATRQBCGOWJTPQ-IUODEOHRSA-N 0 3 231.314 3.444 20 30 BGEDHN C#C[C@@H](N[C@@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793619 586585494 /nfs/dbraw/zinc/58/54/94/586585494.db2.gz XATRQBCGOWJTPQ-SWLSCSKDSA-N 0 3 231.314 3.444 20 30 BGEDHN C#C[C@H](N[C@@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793620 586585400 /nfs/dbraw/zinc/58/54/00/586585400.db2.gz XATRQBCGOWJTPQ-WFASDCNBSA-N 0 3 231.314 3.444 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000812794093 586585724 /nfs/dbraw/zinc/58/57/24/586585724.db2.gz QOYNCKONGLVGKA-HRCADAONSA-N 0 3 243.325 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000812794094 586585923 /nfs/dbraw/zinc/58/59/23/586585923.db2.gz QOYNCKONGLVGKA-JYJNAYRXSA-N 0 3 243.325 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000812794095 586585693 /nfs/dbraw/zinc/58/56/93/586585693.db2.gz QOYNCKONGLVGKA-OWCLPIDISA-N 0 3 243.325 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000812794096 586585859 /nfs/dbraw/zinc/58/58/59/586585859.db2.gz QOYNCKONGLVGKA-PMPSAXMXSA-N 0 3 243.325 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000812794171 586585983 /nfs/dbraw/zinc/58/59/83/586585983.db2.gz TWLJDEZNUZUOLI-BYCMXARLSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000812794172 582567103 /nfs/dbraw/zinc/56/71/03/582567103.db2.gz TWLJDEZNUZUOLI-CQDKDKBSSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000812794173 582567068 /nfs/dbraw/zinc/56/70/68/582567068.db2.gz TWLJDEZNUZUOLI-TUKIKUTGSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000812794174 582567087 /nfs/dbraw/zinc/56/70/87/582567087.db2.gz TWLJDEZNUZUOLI-UGFHNGPFSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@H]1CC)c1ccc(F)cc1 ZINC000812794308 586585963 /nfs/dbraw/zinc/58/59/63/586585963.db2.gz YQMYCAIBRIZTMR-BYCMXARLSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@@H]1CC)c1ccc(F)cc1 ZINC000812794309 586585888 /nfs/dbraw/zinc/58/58/88/586585888.db2.gz YQMYCAIBRIZTMR-CQDKDKBSSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@@H]1CC[C@@H]1CC)c1ccc(F)cc1 ZINC000812794310 586585731 /nfs/dbraw/zinc/58/57/31/586585731.db2.gz YQMYCAIBRIZTMR-TUKIKUTGSA-N 0 3 231.314 3.278 20 30 BGEDHN C#C[C@H](N[C@H]1CC[C@H]1CC)c1ccc(F)cc1 ZINC000812794311 586585720 /nfs/dbraw/zinc/58/57/20/586585720.db2.gz YQMYCAIBRIZTMR-UGFHNGPFSA-N 0 3 231.314 3.278 20 30 BGEDHN C#CCCN(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882922 586587961 /nfs/dbraw/zinc/58/79/61/586587961.db2.gz WKFWNQXNWOCXPJ-MNOVXSKESA-N 0 3 233.277 3.063 20 30 BGEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000813057511 586590019 /nfs/dbraw/zinc/59/00/19/586590019.db2.gz LTPBJOCODCNYKH-MXWKQRLJSA-N 0 3 248.351 3.064 20 30 BGEDHN C#CCCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000813329899 586600370 /nfs/dbraw/zinc/60/03/70/586600370.db2.gz SDYQBASPRLJELD-GFCCVEGCSA-N 0 3 248.757 3.115 20 30 BGEDHN C#CCCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000813329900 586600396 /nfs/dbraw/zinc/60/03/96/586600396.db2.gz SDYQBASPRLJELD-LBPRGKRZSA-N 0 3 248.757 3.115 20 30 BGEDHN C#Cc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000813332009 586600576 /nfs/dbraw/zinc/60/05/76/586600576.db2.gz OLYIYFCLSDLUBQ-UHFFFAOYSA-N 0 3 225.335 3.044 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)CCCC2 ZINC000814169554 586615217 /nfs/dbraw/zinc/61/52/17/586615217.db2.gz JEJAPINVVJLZMF-CYBMUJFWSA-N 0 3 227.351 3.019 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)CCCC2 ZINC000814169555 586615257 /nfs/dbraw/zinc/61/52/57/586615257.db2.gz JEJAPINVVJLZMF-ZDUSSCGKSA-N 0 3 227.351 3.019 20 30 BGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000814169729 586615187 /nfs/dbraw/zinc/61/51/87/586615187.db2.gz LUOLEVDJBNBWOU-FDRIWYBQSA-N 0 3 231.314 3.134 20 30 BGEDHN C#C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000814169731 586615162 /nfs/dbraw/zinc/61/51/62/586615162.db2.gz LUOLEVDJBNBWOU-HKCMKHECSA-N 0 3 231.314 3.134 20 30 BGEDHN C#C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000814169732 586615073 /nfs/dbraw/zinc/61/50/73/586615073.db2.gz LUOLEVDJBNBWOU-IDTSFGKNSA-N 0 3 231.314 3.134 20 30 BGEDHN C#C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000814169733 586615181 /nfs/dbraw/zinc/61/51/81/586615181.db2.gz LUOLEVDJBNBWOU-LWWSYDQCSA-N 0 3 231.314 3.134 20 30 BGEDHN C#CCCOc1ccc(CN2CC[C@@H]2CC)cc1 ZINC000814178942 586616090 /nfs/dbraw/zinc/61/60/90/586616090.db2.gz JXJXDYXUYLBHAQ-HNNXBMFYSA-N 0 3 243.350 3.073 20 30 BGEDHN C#CCCOc1ccc(CN2CC[C@H]2CC)cc1 ZINC000814178943 586616064 /nfs/dbraw/zinc/61/60/64/586616064.db2.gz JXJXDYXUYLBHAQ-OAHLLOKOSA-N 0 3 243.350 3.073 20 30 BGEDHN CCC(=NOCC1CC1)c1ccc(N(C)C)cc1 ZINC000814243138 586619482 /nfs/dbraw/zinc/61/94/82/586619482.db2.gz HTXMAVSASVRRRR-UHFFFAOYSA-N 0 3 246.354 3.293 20 30 BGEDHN CCN(CC)c1ccc(C=NOCC2CC2)cc1 ZINC000814244462 586619808 /nfs/dbraw/zinc/61/98/08/586619808.db2.gz UXGUAGVZJUOUKO-UHFFFAOYSA-N 0 3 246.354 3.293 20 30 BGEDHN CCN(C)c1ccc(C(C)=NOCC2CC2)cc1 ZINC000814244653 583351660 /nfs/dbraw/zinc/35/16/60/583351660.db2.gz FDJTZCBTDHXFKT-UHFFFAOYSA-N 0 3 246.354 3.293 20 30 BGEDHN CC(=NOCCC1CC1)c1ccc(N)cc1C ZINC000814245022 586620136 /nfs/dbraw/zinc/62/01/36/586620136.db2.gz HOXGBSHMJWKICJ-UHFFFAOYSA-N 0 3 232.327 3.118 20 30 BGEDHN CC(CN1CCCCCC1)=NOCCC1CC1 ZINC000814245226 586620165 /nfs/dbraw/zinc/62/01/65/586620165.db2.gz LVYQVZNXUCKHCZ-UHFFFAOYSA-N 0 3 238.375 3.055 20 30 BGEDHN Cc1cc(N)cc(C)c1C=NOCCC1CC1 ZINC000814245472 586620188 /nfs/dbraw/zinc/62/01/88/586620188.db2.gz UDGGPAZOIMYOAL-UHFFFAOYSA-N 0 3 232.327 3.036 20 30 BGEDHN CC(=NOCCC1CC1)c1ccc(N(C)C)cc1 ZINC000814245504 586620347 /nfs/dbraw/zinc/62/03/47/586620347.db2.gz VEXQHIUHNINLQW-UHFFFAOYSA-N 0 3 246.354 3.293 20 30 BGEDHN C#CCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666507 586627384 /nfs/dbraw/zinc/62/73/84/586627384.db2.gz APZRYADOAJCCOZ-CYBMUJFWSA-N 0 3 233.742 3.153 20 30 BGEDHN C#CCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666512 586627917 /nfs/dbraw/zinc/62/79/17/586627917.db2.gz APZRYADOAJCCOZ-ZDUSSCGKSA-N 0 3 233.742 3.153 20 30 BGEDHN CCCCCCCN(C)CC(C)(C)C#N ZINC000814669512 586628465 /nfs/dbraw/zinc/62/84/65/586628465.db2.gz CXDQEEWCAGJGKE-UHFFFAOYSA-N 0 3 210.365 3.438 20 30 BGEDHN CC(C)CCC=Nn1cnnc1-c1ccccc1 ZINC000814778898 586633836 /nfs/dbraw/zinc/63/38/36/586633836.db2.gz CJNCDAHRARUXPB-UHFFFAOYSA-N 0 3 242.326 3.215 20 30 BGEDHN CSC(C)(C)CC=Nn1cnc2ccccc21 ZINC000814779507 586633517 /nfs/dbraw/zinc/63/35/17/586633517.db2.gz OJHKJXNTAWGIAA-UHFFFAOYSA-N 0 3 247.367 3.402 20 30 BGEDHN CCC(CC)NN=C1CCCc2ccc(N)cc21 ZINC000814851529 586638977 /nfs/dbraw/zinc/63/89/77/586638977.db2.gz NTIYMKINRVQWEB-UHFFFAOYSA-N 0 3 245.370 3.087 20 30 BGEDHN CCC(=NNC(CC)CC)c1cccc(N)c1 ZINC000814851762 586638858 /nfs/dbraw/zinc/63/88/58/586638858.db2.gz SYPMYVZKLHIWLD-UHFFFAOYSA-N 0 3 233.359 3.161 20 30 BGEDHN CC(=NOCC(C)C)c1cccc(CN(C)C)c1 ZINC000814883791 586642498 /nfs/dbraw/zinc/64/24/98/586642498.db2.gz APPYFQNDKJMIMO-UHFFFAOYSA-N 0 3 248.370 3.145 20 30 BGEDHN CC(=NOCC(C)C)c1ccc(CN(C)C)cc1 ZINC000814883956 586642711 /nfs/dbraw/zinc/64/27/11/586642711.db2.gz JNYVNZFLCZSBET-UHFFFAOYSA-N 0 3 248.370 3.145 20 30 BGEDHN CCC(=NNCCC(C)(C)C)c1cccc(N)c1 ZINC000814901339 586646704 /nfs/dbraw/zinc/64/67/04/586646704.db2.gz JUHRHTQKWPACRL-UHFFFAOYSA-N 0 3 247.386 3.409 20 30 BGEDHN CCC(=NNCC(CC)CC)c1cccc(N)c1 ZINC000814906244 586647863 /nfs/dbraw/zinc/64/78/63/586647863.db2.gz LRNWINRNIMERMI-UHFFFAOYSA-N 0 3 247.386 3.409 20 30 BGEDHN CCC(=NNC1CCCCC1)c1cccc(N)c1 ZINC000814910383 586648965 /nfs/dbraw/zinc/64/89/65/586648965.db2.gz VJVOAOWQEKEERA-UHFFFAOYSA-N 0 3 245.370 3.305 20 30 BGEDHN CC[C@@H](C)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814912759 586649690 /nfs/dbraw/zinc/64/96/90/586649690.db2.gz ALCXLYGIVDWFKB-GHMZBOCLSA-N 0 3 243.354 3.082 20 30 BGEDHN CC[C@@H](C)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814912761 586649534 /nfs/dbraw/zinc/64/95/34/586649534.db2.gz ALCXLYGIVDWFKB-MNOVXSKESA-N 0 3 243.354 3.082 20 30 BGEDHN CC[C@H](C)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814912763 586649822 /nfs/dbraw/zinc/64/98/22/586649822.db2.gz ALCXLYGIVDWFKB-QWRGUYRKSA-N 0 3 243.354 3.082 20 30 BGEDHN CC[C@H](C)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814912764 586649583 /nfs/dbraw/zinc/64/95/83/586649583.db2.gz ALCXLYGIVDWFKB-WDEREUQCSA-N 0 3 243.354 3.082 20 30 BGEDHN CCC(=NNCC1CCCC1)c1cccc(N)c1 ZINC000814933749 586654174 /nfs/dbraw/zinc/65/41/74/586654174.db2.gz YPGURSMGDMPFSU-UHFFFAOYSA-N 0 3 245.370 3.163 20 30 BGEDHN CC(=NOC1CCC1)c1ccc(CN(C)C)cc1 ZINC000814936243 586654684 /nfs/dbraw/zinc/65/46/84/586654684.db2.gz GORLHUXJZAEJPW-UHFFFAOYSA-N 0 3 246.354 3.041 20 30 BGEDHN CC(=NOC1CCC1)c1cccc(CN(C)C)c1 ZINC000814936403 586654984 /nfs/dbraw/zinc/65/49/84/586654984.db2.gz PXWKYPYLUQHJQV-UHFFFAOYSA-N 0 3 246.354 3.041 20 30 BGEDHN CCC(=NN[C@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000814937897 644945726 /nfs/dbraw/zinc/94/57/26/644945726.db2.gz RILWVBOPGHVEMN-LLVKDONJSA-N 0 3 247.386 3.407 20 30 BGEDHN CCC(=NN[C@@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000814937898 644946364 /nfs/dbraw/zinc/94/63/64/644946364.db2.gz RILWVBOPGHVEMN-NSHDSACASA-N 0 3 247.386 3.407 20 30 BGEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000815013887 586664093 /nfs/dbraw/zinc/66/40/93/586664093.db2.gz YQRNOMXVKVISHJ-IPYPFGDCSA-N 0 3 240.350 3.298 20 30 BGEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000815013888 586664119 /nfs/dbraw/zinc/66/41/19/586664119.db2.gz YQRNOMXVKVISHJ-NFAWXSAZSA-N 0 3 240.350 3.298 20 30 BGEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000815013889 586663873 /nfs/dbraw/zinc/66/38/73/586663873.db2.gz YQRNOMXVKVISHJ-UMVBOHGHSA-N 0 3 240.350 3.298 20 30 BGEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000815013890 586664027 /nfs/dbraw/zinc/66/40/27/586664027.db2.gz YQRNOMXVKVISHJ-VNHYZAJKSA-N 0 3 240.350 3.298 20 30 BGEDHN C=CCN(CC=C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015654 586664146 /nfs/dbraw/zinc/66/41/46/586664146.db2.gz OANLHVIKGKGTTD-UHFFFAOYSA-N 0 3 244.382 3.235 20 30 BGEDHN C=CCN(Cc1ccc(CC)cn1)C(C)C ZINC000815021767 586664788 /nfs/dbraw/zinc/66/47/88/586664788.db2.gz TZGHCNSXMLDDHT-UHFFFAOYSA-N 0 3 218.344 3.040 20 30 BGEDHN Cc1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000815035758 586664368 /nfs/dbraw/zinc/66/43/68/586664368.db2.gz OPWTYSIMZYKWQS-DZGCQCFKSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000815035762 586664616 /nfs/dbraw/zinc/66/46/16/586664616.db2.gz OPWTYSIMZYKWQS-HIFRSBDPSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000815035764 586664750 /nfs/dbraw/zinc/66/47/50/586664750.db2.gz OPWTYSIMZYKWQS-UKRRQHHQSA-N 0 3 240.350 3.045 20 30 BGEDHN Cc1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000815035767 586664623 /nfs/dbraw/zinc/66/46/23/586664623.db2.gz OPWTYSIMZYKWQS-ZFWWWQNUSA-N 0 3 240.350 3.045 20 30 BGEDHN C=C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815043451 586664491 /nfs/dbraw/zinc/66/44/91/586664491.db2.gz WFWKGJOQAFHAMO-UHFFFAOYSA-N 0 3 244.382 3.213 20 30 BGEDHN C#CCN(Cc1ccc(CC)cn1)C1CCCC1 ZINC000815061466 644948340 /nfs/dbraw/zinc/94/83/40/644948340.db2.gz VZGNGZKAIZUWPT-UHFFFAOYSA-N 0 3 242.366 3.022 20 30 BGEDHN C=CCN(Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815079302 586665806 /nfs/dbraw/zinc/66/58/06/586665806.db2.gz QHOWDVQMZNLDNS-UHFFFAOYSA-N 0 3 244.382 3.211 20 30 BGEDHN C=CCCCCCCNCc1conc1CC ZINC000815141111 586669664 /nfs/dbraw/zinc/66/96/64/586669664.db2.gz RLPQPPJNNNIHSU-UHFFFAOYSA-N 0 3 236.359 3.463 20 30 BGEDHN C=CCC(C)(C)C[NH2+]Cc1c([O-])cccc1OC ZINC000815142054 586669274 /nfs/dbraw/zinc/66/92/74/586669274.db2.gz MTHCSMDHNBSPNQ-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H]1C ZINC000815162793 586671556 /nfs/dbraw/zinc/67/15/56/586671556.db2.gz MQMKTTXGZJORPY-CHWSQXEVSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@H]1C ZINC000815162798 586671179 /nfs/dbraw/zinc/67/11/79/586671179.db2.gz MQMKTTXGZJORPY-OLZOCXBDSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@@H]1[C@@H](C)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000815162799 586671273 /nfs/dbraw/zinc/67/12/73/586671273.db2.gz MQMKTTXGZJORPY-QWHCGFSZSA-N 0 3 242.366 3.328 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@H]1C ZINC000815162800 586671678 /nfs/dbraw/zinc/67/16/78/586671678.db2.gz MQMKTTXGZJORPY-STQMWFEESA-N 0 3 242.366 3.328 20 30 BGEDHN CC#CCN(C)C[C@@H](C)c1cccc(Cl)c1 ZINC000815282298 586676727 /nfs/dbraw/zinc/67/67/27/586676727.db2.gz DNWZUMLDELBCHQ-GFCCVEGCSA-N 0 3 235.758 3.399 20 30 BGEDHN CC#CCN(C)C[C@H](C)c1cccc(Cl)c1 ZINC000815282299 586676877 /nfs/dbraw/zinc/67/68/77/586676877.db2.gz DNWZUMLDELBCHQ-LBPRGKRZSA-N 0 3 235.758 3.399 20 30 BGEDHN CC#CCN(C)[C@H]1CCc2cc(Cl)ccc21 ZINC000815285358 586677114 /nfs/dbraw/zinc/67/71/14/586677114.db2.gz DVXNOQSFVYTJOJ-AWEZNQCLSA-N 0 3 233.742 3.282 20 30 BGEDHN CC#CCN(C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000815285597 586677554 /nfs/dbraw/zinc/67/75/54/586677554.db2.gz DVXNOQSFVYTJOJ-CQSZACIVSA-N 0 3 233.742 3.282 20 30 BGEDHN Cc1cc(F)ccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000815621927 586689100 /nfs/dbraw/zinc/68/91/00/586689100.db2.gz HNUJBBYBGKGYEP-GFCCVEGCSA-N 0 3 246.329 3.479 20 30 BGEDHN Cc1cc(F)ccc1[C@H](C)NCC1(CC#N)CC1 ZINC000815621928 586689172 /nfs/dbraw/zinc/68/91/72/586689172.db2.gz HNUJBBYBGKGYEP-LBPRGKRZSA-N 0 3 246.329 3.479 20 30 BGEDHN C=CCN(Cc1ccsc1C)C(C)C ZINC000816490060 586737196 /nfs/dbraw/zinc/73/71/96/586737196.db2.gz KWBHPVIGQFGIMY-UHFFFAOYSA-N 0 3 209.358 3.453 20 30 BGEDHN C#CCN(CC)Cc1cc(C)cc(Cl)c1 ZINC000816496216 586736609 /nfs/dbraw/zinc/73/66/09/586736609.db2.gz ALOMZJQYJFPJNB-UHFFFAOYSA-N 0 3 221.731 3.104 20 30 BGEDHN C#CCN(Cc1ccsc1C)C1CCCC1 ZINC000816517506 586738661 /nfs/dbraw/zinc/73/86/61/586738661.db2.gz SHBMYAAVBZURGW-UHFFFAOYSA-N 0 3 233.380 3.434 20 30 BGEDHN CC1=CC[C@H](NCc2cc(C#N)ccc2F)CC1 ZINC000816554232 586740521 /nfs/dbraw/zinc/74/05/21/586740521.db2.gz SDRVQIRPQXPLMM-AWEZNQCLSA-N 0 3 244.313 3.286 20 30 BGEDHN CC1=CC[C@@H](NCc2cc(C#N)ccc2F)CC1 ZINC000816554233 586740636 /nfs/dbraw/zinc/74/06/36/586740636.db2.gz SDRVQIRPQXPLMM-CQSZACIVSA-N 0 3 244.313 3.286 20 30 BGEDHN C=C(Cl)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816563447 586740357 /nfs/dbraw/zinc/74/03/57/586740357.db2.gz XZOIRDWFGWVOFM-UHFFFAOYSA-N 0 3 247.725 3.388 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cc(C)cc(Cl)c1 ZINC000816593006 586743217 /nfs/dbraw/zinc/74/32/17/586743217.db2.gz BBPYXJSQPNELQR-LLVKDONJSA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cc(C)cc(Cl)c1 ZINC000816593007 586742607 /nfs/dbraw/zinc/74/26/07/586742607.db2.gz BBPYXJSQPNELQR-NSHDSACASA-N 0 3 221.731 3.102 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000816607179 586743522 /nfs/dbraw/zinc/74/35/22/586743522.db2.gz IFKNKMMVXYPKDL-GFCCVEGCSA-N 0 3 213.324 3.065 20 30 BGEDHN C#C[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000816607180 586743913 /nfs/dbraw/zinc/74/39/13/586743913.db2.gz IFKNKMMVXYPKDL-LBPRGKRZSA-N 0 3 213.324 3.065 20 30 BGEDHN C#C[C@@H](CC)NCc1ccc(C2CCC2)cc1 ZINC000816608129 586744156 /nfs/dbraw/zinc/74/41/56/586744156.db2.gz QAGPJDIEUJPFSH-INIZCTEOSA-N 0 3 227.351 3.456 20 30 BGEDHN C#C[C@H](CC)NCc1ccc(C2CCC2)cc1 ZINC000816608130 586743795 /nfs/dbraw/zinc/74/37/95/586743795.db2.gz QAGPJDIEUJPFSH-MRXNPFEDSA-N 0 3 227.351 3.456 20 30 BGEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@H]1C ZINC000816646349 643558136 /nfs/dbraw/zinc/55/81/36/643558136.db2.gz CGIOXZSZENDLTK-CHWSQXEVSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@@H]1C ZINC000816646350 643558264 /nfs/dbraw/zinc/55/82/64/643558264.db2.gz CGIOXZSZENDLTK-OLZOCXBDSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccccc1CN1C[C@H](C)[C@H]1C ZINC000816646351 643557182 /nfs/dbraw/zinc/55/71/82/643557182.db2.gz CGIOXZSZENDLTK-QWHCGFSZSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccccc1CN1C[C@H](C)[C@@H]1C ZINC000816646352 643556637 /nfs/dbraw/zinc/55/66/37/643556637.db2.gz CGIOXZSZENDLTK-STQMWFEESA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816647924 586750633 /nfs/dbraw/zinc/75/06/33/586750633.db2.gz AJZQMTUTTGJLDW-CHWSQXEVSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816647925 586750537 /nfs/dbraw/zinc/75/05/37/586750537.db2.gz AJZQMTUTTGJLDW-OLZOCXBDSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000816647926 586750428 /nfs/dbraw/zinc/75/04/28/586750428.db2.gz AJZQMTUTTGJLDW-QWHCGFSZSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816647927 586749900 /nfs/dbraw/zinc/74/99/00/586749900.db2.gz AJZQMTUTTGJLDW-STQMWFEESA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000816648743 586751201 /nfs/dbraw/zinc/75/12/01/586751201.db2.gz OLMPQPDBVSZIJV-CHWSQXEVSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000816648744 586751378 /nfs/dbraw/zinc/75/13/78/586751378.db2.gz OLMPQPDBVSZIJV-OLZOCXBDSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000816648745 586751351 /nfs/dbraw/zinc/75/13/51/586751351.db2.gz OLMPQPDBVSZIJV-QWHCGFSZSA-N 0 3 231.339 3.092 20 30 BGEDHN C=CCOc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000816648746 586751439 /nfs/dbraw/zinc/75/14/39/586751439.db2.gz OLMPQPDBVSZIJV-STQMWFEESA-N 0 3 231.339 3.092 20 30 BGEDHN CCCCNN=C1CCCCc2ccc(N)cc21 ZINC000817323780 586794059 /nfs/dbraw/zinc/79/40/59/586794059.db2.gz VGAGTBMUJJXVSW-UHFFFAOYSA-N 0 3 245.370 3.089 20 30 BGEDHN FC(F)(F)C=CNN=c1[nH]cccc1Cl ZINC000817323837 586794228 /nfs/dbraw/zinc/79/42/28/586794228.db2.gz WUTXJNSPKVVUBN-UHFFFAOYSA-N 0 3 237.612 3.085 20 30 BGEDHN CC[C@@H](C)NN=C1CCCCc2ccc(N)cc21 ZINC000817327594 586794673 /nfs/dbraw/zinc/79/46/73/586794673.db2.gz LWBVQJSUNNJGLM-LLVKDONJSA-N 0 3 245.370 3.087 20 30 BGEDHN CC[C@H](C)NN=C1CCCCc2ccc(N)cc21 ZINC000817327595 586794853 /nfs/dbraw/zinc/79/48/53/586794853.db2.gz LWBVQJSUNNJGLM-NSHDSACASA-N 0 3 245.370 3.087 20 30 BGEDHN C=C(Cl)CNC1CC2(C1)CCCCC2 ZINC000817409854 586801186 /nfs/dbraw/zinc/80/11/86/586801186.db2.gz FRNZZKAAMLZDOG-UHFFFAOYSA-N 0 3 213.752 3.441 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cccc(C2CC2)c1 ZINC000817410622 586801314 /nfs/dbraw/zinc/80/13/14/586801314.db2.gz QXPKQIDTNQYNFU-GFCCVEGCSA-N 0 3 213.324 3.018 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cccc(C2CC2)c1 ZINC000817410623 586801358 /nfs/dbraw/zinc/80/13/58/586801358.db2.gz QXPKQIDTNQYNFU-LBPRGKRZSA-N 0 3 213.324 3.018 20 30 BGEDHN C#CCCCCN[C@H](C)c1ccncc1Cl ZINC000817580733 586812608 /nfs/dbraw/zinc/81/26/08/586812608.db2.gz KKHCDTVUJYJEAX-LLVKDONJSA-N 0 3 236.746 3.189 20 30 BGEDHN C#CCCCCN[C@@H](C)c1ccncc1Cl ZINC000817580737 586812918 /nfs/dbraw/zinc/81/29/18/586812918.db2.gz KKHCDTVUJYJEAX-NSHDSACASA-N 0 3 236.746 3.189 20 30 BGEDHN C=C(Cl)CN[C@H](C)C1(OC)CCCCC1 ZINC000817582128 586812573 /nfs/dbraw/zinc/81/25/73/586812573.db2.gz VNCGKKGIGSDSHC-LLVKDONJSA-N 0 3 231.767 3.066 20 30 BGEDHN C=C(Cl)CN[C@@H](C)C1(OC)CCCCC1 ZINC000817582131 586812612 /nfs/dbraw/zinc/81/26/12/586812612.db2.gz VNCGKKGIGSDSHC-NSHDSACASA-N 0 3 231.767 3.066 20 30 BGEDHN C#CCCCCNCc1c(F)cc(C)cc1F ZINC000818194432 586879115 /nfs/dbraw/zinc/87/91/15/586879115.db2.gz HIYBOFCVVQJKPL-UHFFFAOYSA-N 0 3 237.293 3.166 20 30 BGEDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355069 586888215 /nfs/dbraw/zinc/88/82/15/586888215.db2.gz BEFICSKIYRJDAD-FRRDWIJNSA-N 0 3 244.338 3.044 20 30 BGEDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355070 586888512 /nfs/dbraw/zinc/88/85/12/586888512.db2.gz BEFICSKIYRJDAD-RWMBFGLXSA-N 0 3 244.338 3.044 20 30 BGEDHN CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1[O-] ZINC000818355851 586888235 /nfs/dbraw/zinc/88/82/35/586888235.db2.gz KCQAMXSTBMKVGE-OUCADQQQSA-N 0 3 244.338 3.125 20 30 BGEDHN CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1[O-] ZINC000818355852 586887981 /nfs/dbraw/zinc/88/79/81/586887981.db2.gz KCQAMXSTBMKVGE-SCRDCRAPSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)nc1 ZINC000818355930 586888117 /nfs/dbraw/zinc/88/81/17/586888117.db2.gz LEVBNFSLPZKRQT-JBLDHEPKSA-N 0 3 249.745 3.078 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)nc1 ZINC000818355997 586887938 /nfs/dbraw/zinc/88/79/38/586887938.db2.gz LEVBNFSLPZKRQT-JFGNBEQYSA-N 0 3 249.745 3.078 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnc(Cl)c1 ZINC000818356317 586889337 /nfs/dbraw/zinc/88/93/37/586889337.db2.gz NKBTXBUMKDWJOD-JBLDHEPKSA-N 0 3 249.745 3.078 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnc(Cl)c1 ZINC000818356319 586889134 /nfs/dbraw/zinc/88/91/34/586889134.db2.gz NKBTXBUMKDWJOD-JFGNBEQYSA-N 0 3 249.745 3.078 20 30 BGEDHN Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000818356675 586889013 /nfs/dbraw/zinc/88/90/13/586889013.db2.gz PKKKJMYGYRVGEN-MBNYWOFBSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1cc(F)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000818356676 586888897 /nfs/dbraw/zinc/88/88/97/586888897.db2.gz PKKKJMYGYRVGEN-SGMGOOAPSA-N 0 3 246.329 3.477 20 30 BGEDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000818357030 586888758 /nfs/dbraw/zinc/88/87/58/586888758.db2.gz USAKODMJZCDBIM-FRRDWIJNSA-N 0 3 244.338 3.044 20 30 BGEDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000818357032 586888719 /nfs/dbraw/zinc/88/87/19/586888719.db2.gz USAKODMJZCDBIM-RWMBFGLXSA-N 0 3 244.338 3.044 20 30 BGEDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000818357034 586889157 /nfs/dbraw/zinc/88/91/57/586889157.db2.gz UUSBLFPCHGIDRW-JGGQBBKZSA-N 0 3 240.350 3.264 20 30 BGEDHN C=C(C)C(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000819937959 587004176 /nfs/dbraw/zinc/00/41/76/587004176.db2.gz NKMQNPDHJAMOAV-JTQLQIEISA-N 0 3 248.351 3.230 20 30 BGEDHN C=C(C)C(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000819937960 587004467 /nfs/dbraw/zinc/00/44/67/587004467.db2.gz NKMQNPDHJAMOAV-SNVBAGLBSA-N 0 3 248.351 3.230 20 30 BGEDHN C=CC[C@H](N[C@@H]1CC[C@H]1SC)c1ccncc1 ZINC000822455218 587168892 /nfs/dbraw/zinc/16/88/92/587168892.db2.gz BTMCXBUAMCXKDM-BFHYXJOUSA-N 0 3 248.395 3.182 20 30 BGEDHN C=CC[C@H](N[C@H]1CC[C@@H]1SC)c1ccncc1 ZINC000822455219 587168928 /nfs/dbraw/zinc/16/89/28/587168928.db2.gz BTMCXBUAMCXKDM-IHRRRGAJSA-N 0 3 248.395 3.182 20 30 BGEDHN C=CC[C@H](N[C@H]1CC[C@H]1SC)c1ccncc1 ZINC000822455220 587168808 /nfs/dbraw/zinc/16/88/08/587168808.db2.gz BTMCXBUAMCXKDM-MELADBBJSA-N 0 3 248.395 3.182 20 30 BGEDHN C=CC[C@H](N[C@@H]1CC[C@@H]1SC)c1ccncc1 ZINC000822455221 587168903 /nfs/dbraw/zinc/16/89/03/587168903.db2.gz BTMCXBUAMCXKDM-MJBXVCDLSA-N 0 3 248.395 3.182 20 30 BGEDHN C#CC[C@H](N[C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000822464490 587169810 /nfs/dbraw/zinc/16/98/10/587169810.db2.gz QOHUTKOBHLMRAL-KKUMJFAQSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000822464493 587169881 /nfs/dbraw/zinc/16/98/81/587169881.db2.gz QOHUTKOBHLMRAL-RRFJBIMHSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@H]1CC[C@H]1SC)c1ccccc1 ZINC000822464494 587169853 /nfs/dbraw/zinc/16/98/53/587169853.db2.gz QOHUTKOBHLMRAL-SOUVJXGZSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000822464495 585026513 /nfs/dbraw/zinc/02/65/13/585026513.db2.gz QOHUTKOBHLMRAL-ZNMIVQPWSA-N 0 3 245.391 3.235 20 30 BGEDHN CCN(CC[C@@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598768 587177244 /nfs/dbraw/zinc/17/72/44/587177244.db2.gz VVNNEKGMACCBAD-NXEZZACHSA-N 0 3 249.185 3.052 20 30 BGEDHN CCN(CC[C@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598769 587176931 /nfs/dbraw/zinc/17/69/31/587176931.db2.gz VVNNEKGMACCBAD-UWVGGRQHSA-N 0 3 249.185 3.052 20 30 BGEDHN CCN(CC[C@@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598770 587176889 /nfs/dbraw/zinc/17/68/89/587176889.db2.gz VVNNEKGMACCBAD-VHSXEESVSA-N 0 3 249.185 3.052 20 30 BGEDHN CCN(CC[C@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598771 587177102 /nfs/dbraw/zinc/17/71/02/587177102.db2.gz VVNNEKGMACCBAD-ZJUUUORDSA-N 0 3 249.185 3.052 20 30 BGEDHN C=CC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822616808 587178009 /nfs/dbraw/zinc/17/80/09/587178009.db2.gz IUCMXVFIARLGSY-LLVKDONJSA-N 0 3 248.197 3.468 20 30 BGEDHN C=CC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822616809 587177999 /nfs/dbraw/zinc/17/79/99/587177999.db2.gz IUCMXVFIARLGSY-NSHDSACASA-N 0 3 248.197 3.468 20 30 BGEDHN CN(CC[C@@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000823171806 587206676 /nfs/dbraw/zinc/20/66/76/587206676.db2.gz AXSKNAJMSPSAEZ-SECBINFHSA-N 0 3 249.185 3.052 20 30 BGEDHN CN(CC[C@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000823171807 587206664 /nfs/dbraw/zinc/20/66/64/587206664.db2.gz AXSKNAJMSPSAEZ-VIFPVBQESA-N 0 3 249.185 3.052 20 30 BGEDHN C=CCN(Cc1csc(C)c1)C(C)C ZINC000823408373 587220369 /nfs/dbraw/zinc/22/03/69/587220369.db2.gz DJHQPFVSBRNKCS-UHFFFAOYSA-N 0 3 209.358 3.453 20 30 BGEDHN C=CCN(Cc1cc2cccnc2o1)C(C)C ZINC000823408490 587220395 /nfs/dbraw/zinc/22/03/95/587220395.db2.gz IRYOMRYEOONIRM-UHFFFAOYSA-N 0 3 230.311 3.224 20 30 BGEDHN C=CCN(Cc1cc(F)cc(OC)c1)C(C)C ZINC000823409280 587220286 /nfs/dbraw/zinc/22/02/86/587220286.db2.gz WTFCVVJWYXKPSN-UHFFFAOYSA-N 0 3 237.318 3.231 20 30 BGEDHN C#CCN(CC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000823419324 587221087 /nfs/dbraw/zinc/22/10/87/587221087.db2.gz YOFOAKLTLYBEIE-LLVKDONJSA-N 0 3 237.293 3.023 20 30 BGEDHN C#CCN(CC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000823419325 587220975 /nfs/dbraw/zinc/22/09/75/587220975.db2.gz YOFOAKLTLYBEIE-NSHDSACASA-N 0 3 237.293 3.023 20 30 BGEDHN C#CCN(Cc1ccncc1C)C1CCCCC1 ZINC000823424023 587221067 /nfs/dbraw/zinc/22/10/67/587221067.db2.gz QZPKHFYIHRJPNO-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN CCCCCCCNCc1cc(F)ncc1F ZINC000823602587 712591582 /nfs/dbraw/zinc/59/15/82/712591582.db2.gz OJRLQRBNWUVBIY-UHFFFAOYSA-N 0 3 242.313 3.420 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cccc(F)n1 ZINC000824027267 587249253 /nfs/dbraw/zinc/24/92/53/587249253.db2.gz IBDFILOXOGOZEY-GFCCVEGCSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cccc(F)n1 ZINC000824027268 587249200 /nfs/dbraw/zinc/24/92/00/587249200.db2.gz IBDFILOXOGOZEY-LBPRGKRZSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCCC[C@H](C)NCc1cc(F)ncc1F ZINC000824073122 587253696 /nfs/dbraw/zinc/25/36/96/587253696.db2.gz FWHJEFLHIOCMGH-JTQLQIEISA-N 0 3 240.297 3.194 20 30 BGEDHN C=CCCC[C@@H](C)NCc1cc(F)ncc1F ZINC000824073123 585028607 /nfs/dbraw/zinc/02/86/07/585028607.db2.gz FWHJEFLHIOCMGH-SNVBAGLBSA-N 0 3 240.297 3.194 20 30 BGEDHN C=CCCCC[C@@H](C)NCC(=C)Cl ZINC000824097824 587255137 /nfs/dbraw/zinc/25/51/37/587255137.db2.gz DQWPKNIVRNVREI-LLVKDONJSA-N 0 3 201.741 3.463 20 30 BGEDHN C=CCCCC[C@H](C)NCC(=C)Cl ZINC000824097825 587255163 /nfs/dbraw/zinc/25/51/63/587255163.db2.gz DQWPKNIVRNVREI-NSHDSACASA-N 0 3 201.741 3.463 20 30 BGEDHN C=C(Cl)CNC[C@@H](C)c1cc(F)cc(F)c1 ZINC000824099163 587255736 /nfs/dbraw/zinc/25/57/36/587255736.db2.gz QRUUJIIEDBRDCU-MRVPVSSYSA-N 0 3 245.700 3.410 20 30 BGEDHN C=C(Cl)CNC[C@H](C)c1cc(F)cc(F)c1 ZINC000824099164 587255513 /nfs/dbraw/zinc/25/55/13/587255513.db2.gz QRUUJIIEDBRDCU-QMMMGPOBSA-N 0 3 245.700 3.410 20 30 BGEDHN C=C(Cl)CN[C@H]1CCCc2ccccc2C1 ZINC000824099637 587255496 /nfs/dbraw/zinc/25/54/96/587255496.db2.gz VOKJWDVPRKRVGM-AWEZNQCLSA-N 0 3 235.758 3.276 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCCc2ccccc2C1 ZINC000824099649 587255637 /nfs/dbraw/zinc/25/56/37/587255637.db2.gz VOKJWDVPRKRVGM-CQSZACIVSA-N 0 3 235.758 3.276 20 30 BGEDHN C#CCN(C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173214 587259224 /nfs/dbraw/zinc/25/92/24/587259224.db2.gz YFSPMHFRQKINNJ-LLVKDONJSA-N 0 3 249.304 3.166 20 30 BGEDHN C#CCN(C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173215 587259560 /nfs/dbraw/zinc/25/95/60/587259560.db2.gz YFSPMHFRQKINNJ-NSHDSACASA-N 0 3 249.304 3.166 20 30 BGEDHN C=CCCCCNCc1ccnc(Cl)c1F ZINC000824188110 587259849 /nfs/dbraw/zinc/25/98/49/587259849.db2.gz VEVUDASTCOYOCQ-UHFFFAOYSA-N 0 3 242.725 3.320 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1ccc(C#N)cn1 ZINC000824231608 587261834 /nfs/dbraw/zinc/26/18/34/587261834.db2.gz POWDAGTXPBXTDJ-CYBMUJFWSA-N 0 3 243.354 3.178 20 30 BGEDHN C=CCCCC[C@H](C)NCc1ccc(C#N)cn1 ZINC000824231613 587261687 /nfs/dbraw/zinc/26/16/87/587261687.db2.gz POWDAGTXPBXTDJ-ZDUSSCGKSA-N 0 3 243.354 3.178 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297450 587265267 /nfs/dbraw/zinc/26/52/67/587265267.db2.gz SUAMWXYWKYZSMU-GHMZBOCLSA-N 0 3 237.293 3.022 20 30 BGEDHN C#C[C@H](C)N(C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297451 587265532 /nfs/dbraw/zinc/26/55/32/587265532.db2.gz SUAMWXYWKYZSMU-MNOVXSKESA-N 0 3 237.293 3.022 20 30 BGEDHN C#C[C@H](C)N(C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297452 587265597 /nfs/dbraw/zinc/26/55/97/587265597.db2.gz SUAMWXYWKYZSMU-QWRGUYRKSA-N 0 3 237.293 3.022 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297453 587265332 /nfs/dbraw/zinc/26/53/32/587265332.db2.gz SUAMWXYWKYZSMU-WDEREUQCSA-N 0 3 237.293 3.022 20 30 BGEDHN C=CCCCC[C@@H](C)NCc1cccnc1F ZINC000824313885 587265992 /nfs/dbraw/zinc/26/59/92/587265992.db2.gz CZZMPEFOFIWEPB-GFCCVEGCSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CCCCC[C@H](C)NCc1cccnc1F ZINC000824313887 587265901 /nfs/dbraw/zinc/26/59/01/587265901.db2.gz CZZMPEFOFIWEPB-LBPRGKRZSA-N 0 3 236.334 3.445 20 30 BGEDHN C=CC[C@H](CC)NCc1ccnc(Cl)c1F ZINC000824332365 587266318 /nfs/dbraw/zinc/26/63/18/587266318.db2.gz JBCLSAYIXOFJNS-JTQLQIEISA-N 0 3 242.725 3.318 20 30 BGEDHN C=CC[C@@H](CC)NCc1ccnc(Cl)c1F ZINC000824332366 587266605 /nfs/dbraw/zinc/26/66/05/587266605.db2.gz JBCLSAYIXOFJNS-SNVBAGLBSA-N 0 3 242.725 3.318 20 30 BGEDHN C=CCCCCCCNCc1ccncc1F ZINC000824376195 587267978 /nfs/dbraw/zinc/26/79/78/587267978.db2.gz CMIVQKBCRHTQSA-UHFFFAOYSA-N 0 3 236.334 3.447 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@@H]1CCn2ccnc21 ZINC000824526062 587273314 /nfs/dbraw/zinc/27/33/14/587273314.db2.gz HQKPCIAOTWLOOG-CHWSQXEVSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCC[C@@H](CCC)N[C@H]1CCn2ccnc21 ZINC000824526063 587273088 /nfs/dbraw/zinc/27/30/88/587273088.db2.gz HQKPCIAOTWLOOG-OLZOCXBDSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCC[C@H](CCC)N[C@@H]1CCn2ccnc21 ZINC000824526064 587273375 /nfs/dbraw/zinc/27/33/75/587273375.db2.gz HQKPCIAOTWLOOG-QWHCGFSZSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCC[C@H](CCC)N[C@H]1CCn2ccnc21 ZINC000824526066 587273155 /nfs/dbraw/zinc/27/31/55/587273155.db2.gz HQKPCIAOTWLOOG-STQMWFEESA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000824526659 587273792 /nfs/dbraw/zinc/27/37/92/587273792.db2.gz ONEOIFPFJJQNGC-KBPBESRZSA-N 0 3 247.386 3.443 20 30 BGEDHN C=CCCCCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824526660 587273611 /nfs/dbraw/zinc/27/36/11/587273611.db2.gz ONEOIFPFJJQNGC-KGLIPLIRSA-N 0 3 247.386 3.443 20 30 BGEDHN C=CCCCCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824526661 587273667 /nfs/dbraw/zinc/27/36/67/587273667.db2.gz ONEOIFPFJJQNGC-UONOGXRCSA-N 0 3 247.386 3.443 20 30 BGEDHN C=CCCCCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000824526662 587273908 /nfs/dbraw/zinc/27/39/08/587273908.db2.gz ONEOIFPFJJQNGC-ZIAGYGMSSA-N 0 3 247.386 3.443 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000824533433 587274452 /nfs/dbraw/zinc/27/44/52/587274452.db2.gz FLJKWHALAAZTND-CHWSQXEVSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824533435 587274303 /nfs/dbraw/zinc/27/43/03/587274303.db2.gz FLJKWHALAAZTND-OLZOCXBDSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824533437 587274570 /nfs/dbraw/zinc/27/45/70/587274570.db2.gz FLJKWHALAAZTND-QWHCGFSZSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000824533439 587274280 /nfs/dbraw/zinc/27/42/80/587274280.db2.gz FLJKWHALAAZTND-STQMWFEESA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCC[C@@H](C)NCc1cc(F)cnc1Cl ZINC000824538390 587274755 /nfs/dbraw/zinc/27/47/55/587274755.db2.gz PHAHSUQDSSXDKV-SECBINFHSA-N 0 3 242.725 3.318 20 30 BGEDHN C=CCC[C@H](C)NCc1cc(F)cnc1Cl ZINC000824538392 587275056 /nfs/dbraw/zinc/27/50/56/587275056.db2.gz PHAHSUQDSSXDKV-VIFPVBQESA-N 0 3 242.725 3.318 20 30 BGEDHN C=CCN(Cc1cc(COC)cs1)C(C)C ZINC000824580868 587277710 /nfs/dbraw/zinc/27/77/10/587277710.db2.gz KUCVFUJNYKHYLD-UHFFFAOYSA-N 0 3 239.384 3.291 20 30 BGEDHN CC/C=C\CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000824702073 587283244 /nfs/dbraw/zinc/28/32/44/587283244.db2.gz HUDMNEVWEXKPFH-DSYXLKISSA-N 0 3 244.338 3.033 20 30 BGEDHN CC/C=C/CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000824702074 587283627 /nfs/dbraw/zinc/28/36/27/587283627.db2.gz HUDMNEVWEXKPFH-IHVVCDCBSA-N 0 3 244.338 3.033 20 30 BGEDHN CC/C=C/CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000824702075 587283247 /nfs/dbraw/zinc/28/32/47/587283247.db2.gz HUDMNEVWEXKPFH-MUBLQREKSA-N 0 3 244.338 3.033 20 30 BGEDHN CC/C=C\CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000824702076 587283707 /nfs/dbraw/zinc/28/37/07/587283707.db2.gz HUDMNEVWEXKPFH-ZFDPJTLLSA-N 0 3 244.338 3.033 20 30 BGEDHN C#CCCOc1ccc(CNC/C=C\CC)cc1 ZINC000824702081 587283176 /nfs/dbraw/zinc/28/31/76/587283176.db2.gz IJQIJNGCMUCGFB-ALCCZGGFSA-N 0 3 243.350 3.145 20 30 BGEDHN C#CCCOc1ccc(CNC/C=C/CC)cc1 ZINC000824702082 587283680 /nfs/dbraw/zinc/28/36/80/587283680.db2.gz IJQIJNGCMUCGFB-FNORWQNLSA-N 0 3 243.350 3.145 20 30 BGEDHN C=C(C)CC[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000824743520 587285392 /nfs/dbraw/zinc/28/53/92/587285392.db2.gz FIBMEHMUXIVKIB-UHFFFAOYSA-N 0 3 219.328 3.065 20 30 BGEDHN C=C(C)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824743603 587285189 /nfs/dbraw/zinc/28/51/89/587285189.db2.gz IEDUERNTWDCJCS-UHFFFAOYSA-N 0 3 239.746 3.410 20 30 BGEDHN C=C(C)CCNCc1c(Cl)nc2ccccn21 ZINC000824743803 587285286 /nfs/dbraw/zinc/28/52/86/587285286.db2.gz NDOBAOVHGZDTJG-UHFFFAOYSA-N 0 3 249.745 3.044 20 30 BGEDHN C=C(C)CCNCc1ccnc(Cl)c1Cl ZINC000824750608 587285797 /nfs/dbraw/zinc/28/57/97/587285797.db2.gz MAJAPMXQVFFMBZ-UHFFFAOYSA-N 0 3 245.153 3.444 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824783195 587287474 /nfs/dbraw/zinc/28/74/74/587287474.db2.gz HLDZZHYTSUFRAV-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000824783594 587287226 /nfs/dbraw/zinc/28/72/26/587287226.db2.gz QZKOWLRSIGIDCQ-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C=CC(C)(C)CNCc1ccnc(Cl)c1F ZINC000824789400 587287746 /nfs/dbraw/zinc/28/77/46/587287746.db2.gz ADEOUSUEEYMVBW-UHFFFAOYSA-N 0 3 242.725 3.176 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000824790167 587287620 /nfs/dbraw/zinc/28/76/20/587287620.db2.gz NNFUUZPNLFBBMC-UHFFFAOYSA-N 0 3 233.355 3.311 20 30 BGEDHN C=CC(C)(C)CNCc1cccnc1Cl ZINC000824790484 587287615 /nfs/dbraw/zinc/28/76/15/587287615.db2.gz VQLJRQWHOIDNOT-UHFFFAOYSA-N 0 3 224.735 3.037 20 30 BGEDHN CC1(C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000824823541 587289046 /nfs/dbraw/zinc/28/90/46/587289046.db2.gz CNDOPXBVJDJDLK-UHFFFAOYSA-N 0 3 240.350 3.226 20 30 BGEDHN C=C(Cl)CN1CCC[C@H]1Cc1ccccc1 ZINC000824898138 587292402 /nfs/dbraw/zinc/29/24/02/587292402.db2.gz HWAWVVDEFRYWQT-AWEZNQCLSA-N 0 3 235.758 3.446 20 30 BGEDHN C=C(Cl)CN1CCC[C@@H]1Cc1ccccc1 ZINC000824898140 587292454 /nfs/dbraw/zinc/29/24/54/587292454.db2.gz HWAWVVDEFRYWQT-CQSZACIVSA-N 0 3 235.758 3.446 20 30 BGEDHN N#Cc1ccc(CN2CCCCCCCC2)o1 ZINC000824983319 587297131 /nfs/dbraw/zinc/29/71/31/587297131.db2.gz UJUGDEOYDGBLGK-UHFFFAOYSA-N 0 3 232.327 3.307 20 30 BGEDHN C=CCC1(NCc2cnc(C)cn2)CCCCC1 ZINC000825024144 587299023 /nfs/dbraw/zinc/29/90/23/587299023.db2.gz KPCKJQQJROCSFT-UHFFFAOYSA-N 0 3 245.370 3.154 20 30 BGEDHN C=CCC[C@@H](CCC)NCc1coc(CC)n1 ZINC000825056595 587300616 /nfs/dbraw/zinc/30/06/16/587300616.db2.gz HCYSFSFTQIATDH-GFCCVEGCSA-N 0 3 236.359 3.462 20 30 BGEDHN C=CCC[C@H](CCC)NCc1coc(CC)n1 ZINC000825056596 587300357 /nfs/dbraw/zinc/30/03/57/587300357.db2.gz HCYSFSFTQIATDH-LBPRGKRZSA-N 0 3 236.359 3.462 20 30 BGEDHN C=CCC[C@@H](CC)NCc1coc(CC)n1 ZINC000825057070 587301177 /nfs/dbraw/zinc/30/11/77/587301177.db2.gz MAVXSWJWWVZUJZ-LLVKDONJSA-N 0 3 222.332 3.071 20 30 BGEDHN C=CCC[C@H](CC)NCc1coc(CC)n1 ZINC000825057071 587301158 /nfs/dbraw/zinc/30/11/58/587301158.db2.gz MAVXSWJWWVZUJZ-NSHDSACASA-N 0 3 222.332 3.071 20 30 BGEDHN C=C(CC)CNCc1ccc(OCOCC)cc1 ZINC000825221053 587309796 /nfs/dbraw/zinc/30/97/96/587309796.db2.gz GXVUCRVDONSUPR-UHFFFAOYSA-N 0 3 249.354 3.115 20 30 BGEDHN C=C(CC)CNCc1cnc(Cl)c(C)c1 ZINC000825221508 587310021 /nfs/dbraw/zinc/31/00/21/587310021.db2.gz ONPLCOWFMVPIFE-UHFFFAOYSA-N 0 3 224.735 3.099 20 30 BGEDHN C#CCCOc1ccc(CNCC(=C)CC)cc1 ZINC000825221553 587309615 /nfs/dbraw/zinc/30/96/15/587309615.db2.gz RKWXEAOSEGIPDW-UHFFFAOYSA-N 0 3 243.350 3.145 20 30 BGEDHN C=C(CC)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000825221606 587310228 /nfs/dbraw/zinc/31/02/28/587310228.db2.gz TUFGHKDQOOLLHH-UHFFFAOYSA-N 0 3 219.328 3.065 20 30 BGEDHN C=C(CC)CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000825221744 587310358 /nfs/dbraw/zinc/31/03/58/587310358.db2.gz YDAHFIVZWVAMPV-CYBMUJFWSA-N 0 3 244.338 3.033 20 30 BGEDHN C=C(CC)CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000825221745 587310050 /nfs/dbraw/zinc/31/00/50/587310050.db2.gz YDAHFIVZWVAMPV-ZDUSSCGKSA-N 0 3 244.338 3.033 20 30 BGEDHN C=C(CC)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825221746 587310060 /nfs/dbraw/zinc/31/00/60/587310060.db2.gz YEPUATAIXKUPBZ-UHFFFAOYSA-N 0 3 239.746 3.410 20 30 BGEDHN C=C(Cl)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825430067 587319645 /nfs/dbraw/zinc/31/96/45/587319645.db2.gz SHQIWKQSYWLGOV-UHFFFAOYSA-N 0 3 246.137 3.196 20 30 BGEDHN C#C[C@H](NCc1cc2ccc(C)cc2[nH]1)C(C)C ZINC000825878236 587343484 /nfs/dbraw/zinc/34/34/84/587343484.db2.gz GHFHXPAIYWFCTC-HNNXBMFYSA-N 0 3 240.350 3.224 20 30 BGEDHN C#C[C@@H](NCc1cc2ccc(C)cc2[nH]1)C(C)C ZINC000825878237 587343584 /nfs/dbraw/zinc/34/35/84/587343584.db2.gz GHFHXPAIYWFCTC-OAHLLOKOSA-N 0 3 240.350 3.224 20 30 BGEDHN C#C[C@H](NCc1cc2c(cccc2C)[nH]1)C(C)C ZINC000825878298 587343533 /nfs/dbraw/zinc/34/35/33/587343533.db2.gz IQLOZPRSDLBDKA-HNNXBMFYSA-N 0 3 240.350 3.224 20 30 BGEDHN C#C[C@@H](NCc1cc2c(cccc2C)[nH]1)C(C)C ZINC000825878299 587343433 /nfs/dbraw/zinc/34/34/33/587343433.db2.gz IQLOZPRSDLBDKA-OAHLLOKOSA-N 0 3 240.350 3.224 20 30 BGEDHN C#C[C@H](N[C@@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878648 645064031 /nfs/dbraw/zinc/06/40/31/645064031.db2.gz UOXFZVPTSBCTNM-AAEUAGOBSA-N 0 3 242.322 3.136 20 30 BGEDHN C#C[C@@H](N[C@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878649 645063297 /nfs/dbraw/zinc/06/32/97/645063297.db2.gz UOXFZVPTSBCTNM-DGCLKSJQSA-N 0 3 242.322 3.136 20 30 BGEDHN C#C[C@@H](N[C@@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878650 645063341 /nfs/dbraw/zinc/06/33/41/645063341.db2.gz UOXFZVPTSBCTNM-WCQYABFASA-N 0 3 242.322 3.136 20 30 BGEDHN C#C[C@H](N[C@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878651 645063968 /nfs/dbraw/zinc/06/39/68/645063968.db2.gz UOXFZVPTSBCTNM-YPMHNXCESA-N 0 3 242.322 3.136 20 30 BGEDHN C#CC1CCN(c2ccnc3ccccc32)CC1 ZINC000826715101 645067198 /nfs/dbraw/zinc/06/71/98/645067198.db2.gz NPECWOZZOYBIGC-UHFFFAOYSA-N 0 3 236.318 3.084 20 30 BGEDHN C=CCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000826915650 587365384 /nfs/dbraw/zinc/36/53/84/587365384.db2.gz RMKWLUAHSLPECM-UHFFFAOYSA-N 0 3 225.719 3.020 20 30 BGEDHN C=CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826945684 712592961 /nfs/dbraw/zinc/59/29/61/712592961.db2.gz ANXOUZJEVSVKJW-GFCCVEGCSA-N 0 3 249.329 3.319 20 30 BGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826945684 712592960 /nfs/dbraw/zinc/59/29/60/712592960.db2.gz ANXOUZJEVSVKJW-GFCCVEGCSA-N 0 3 249.329 3.319 20 30 BGEDHN C=CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826945686 712592922 /nfs/dbraw/zinc/59/29/22/712592922.db2.gz ANXOUZJEVSVKJW-LBPRGKRZSA-N 0 3 249.329 3.319 20 30 BGEDHN C=CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000826945686 712592921 /nfs/dbraw/zinc/59/29/21/712592921.db2.gz ANXOUZJEVSVKJW-LBPRGKRZSA-N 0 3 249.329 3.319 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000826947348 587366545 /nfs/dbraw/zinc/36/65/45/587366545.db2.gz QIULISDTWBJITH-GFCCVEGCSA-N 0 3 205.301 3.068 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccoc2)C1 ZINC000826947430 587366597 /nfs/dbraw/zinc/36/65/97/587366597.db2.gz QIULISDTWBJITH-LBPRGKRZSA-N 0 3 205.301 3.068 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000826947443 587366451 /nfs/dbraw/zinc/36/64/51/587366451.db2.gz QMJAVIISIJRUTM-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000826947447 587366690 /nfs/dbraw/zinc/36/66/90/587366690.db2.gz QMJAVIISIJRUTM-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000826948063 587366567 /nfs/dbraw/zinc/36/65/67/587366567.db2.gz VTTMNBOGUULHOT-CYBMUJFWSA-N 0 3 231.339 3.180 20 30 BGEDHN C=CC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826948063 587366566 /nfs/dbraw/zinc/36/65/66/587366566.db2.gz VTTMNBOGUULHOT-CYBMUJFWSA-N 0 3 231.339 3.180 20 30 BGEDHN C=CC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000826948064 587366457 /nfs/dbraw/zinc/36/64/57/587366457.db2.gz VTTMNBOGUULHOT-ZDUSSCGKSA-N 0 3 231.339 3.180 20 30 BGEDHN C=CC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000826948064 587366456 /nfs/dbraw/zinc/36/64/56/587366456.db2.gz VTTMNBOGUULHOT-ZDUSSCGKSA-N 0 3 231.339 3.180 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000826948071 587366591 /nfs/dbraw/zinc/36/65/91/587366591.db2.gz VYWAINMFMQAEQA-CYBMUJFWSA-N 0 3 248.345 3.317 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000826948072 587366618 /nfs/dbraw/zinc/36/66/18/587366618.db2.gz VYWAINMFMQAEQA-ZDUSSCGKSA-N 0 3 248.345 3.317 20 30 BGEDHN C=CCCCCN1CCC[C@H]1c1cc(C)on1 ZINC000827333086 587377356 /nfs/dbraw/zinc/37/73/56/587377356.db2.gz XROXVQNZXLGUHY-AWEZNQCLSA-N 0 3 234.343 3.476 20 30 BGEDHN C=CCCCCN1CCC[C@@H]1c1cc(C)on1 ZINC000827333091 587377491 /nfs/dbraw/zinc/37/74/91/587377491.db2.gz XROXVQNZXLGUHY-CQSZACIVSA-N 0 3 234.343 3.476 20 30 BGEDHN C=C(C)CN(CC)C[C@]1(C)CC1(Cl)Cl ZINC000827353470 587378163 /nfs/dbraw/zinc/37/81/63/587378163.db2.gz DETUNKGEDIMNHT-JTQLQIEISA-N 0 3 236.186 3.468 20 30 BGEDHN C=C(C)CN(CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827353471 587378170 /nfs/dbraw/zinc/37/81/70/587378170.db2.gz DETUNKGEDIMNHT-SNVBAGLBSA-N 0 3 236.186 3.468 20 30 BGEDHN N#CC1(CNC2CC(C(F)F)C2)CCCCC1 ZINC000827383637 587379164 /nfs/dbraw/zinc/37/91/64/587379164.db2.gz HYLRRFXQDUEQFE-UHFFFAOYSA-N 0 3 242.313 3.094 20 30 BGEDHN C=CCCCCN(C)Cc1c(C)noc1C ZINC000827401030 587380003 /nfs/dbraw/zinc/38/00/03/587380003.db2.gz VTSMIORYTOQHNZ-UHFFFAOYSA-N 0 3 222.332 3.080 20 30 BGEDHN C=CCN(C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437879 587381095 /nfs/dbraw/zinc/38/10/95/587381095.db2.gz DTMQYHIZFKWTBB-JTQLQIEISA-N 0 3 236.186 3.467 20 30 BGEDHN C=CCN(C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437880 587381060 /nfs/dbraw/zinc/38/10/60/587381060.db2.gz DTMQYHIZFKWTBB-SNVBAGLBSA-N 0 3 236.186 3.467 20 30 BGEDHN C=CCN(Cc1cccc(C(C)=O)c1)C(C)C ZINC000827438616 587379590 /nfs/dbraw/zinc/37/95/90/587379590.db2.gz SJAFWHUBOHBZSZ-UHFFFAOYSA-N 0 3 231.339 3.286 20 30 BGEDHN C=C1CCN(C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827772837 587401655 /nfs/dbraw/zinc/40/16/55/587401655.db2.gz XTIOQXJDKPSRKX-JTQLQIEISA-N 0 3 234.170 3.222 20 30 BGEDHN C=C1CCN(C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827772838 587401751 /nfs/dbraw/zinc/40/17/51/587401751.db2.gz XTIOQXJDKPSRKX-SNVBAGLBSA-N 0 3 234.170 3.222 20 30 BGEDHN C=CCCC(C)(C)NCc1cc(F)ncc1F ZINC000827817395 587404025 /nfs/dbraw/zinc/40/40/25/587404025.db2.gz AZWULXYUBRTJDE-UHFFFAOYSA-N 0 3 240.297 3.194 20 30 BGEDHN C=CCCCCN(CCC#N)CC(C)C ZINC000827872725 587406335 /nfs/dbraw/zinc/40/63/35/587406335.db2.gz HYWJNOYGQRGARY-UHFFFAOYSA-N 0 3 208.349 3.214 20 30 BGEDHN C#CC[C@@H](NCC1=CCCC1)c1ccccc1 ZINC000828155466 584901919 /nfs/dbraw/zinc/90/19/19/584901919.db2.gz NORBVUYKTAIYFU-MRXNPFEDSA-N 0 3 225.335 3.451 20 30 BGEDHN C=C[C@@H]1CCCCN1CCC(=O)CC(C)C ZINC000828440873 587442417 /nfs/dbraw/zinc/44/24/17/587442417.db2.gz WTOLBPIKRQWEAP-CYBMUJFWSA-N 0 3 223.360 3.032 20 30 BGEDHN C=C[C@H]1CCCCN1CCC(=O)CC(C)C ZINC000828440874 587442352 /nfs/dbraw/zinc/44/23/52/587442352.db2.gz WTOLBPIKRQWEAP-ZDUSSCGKSA-N 0 3 223.360 3.032 20 30 BGEDHN C=CCN(C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828620721 587454234 /nfs/dbraw/zinc/45/42/34/587454234.db2.gz VBLGIQNOUXDUPK-JTQLQIEISA-N 0 3 234.170 3.221 20 30 BGEDHN C=CCN(C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828620723 587454517 /nfs/dbraw/zinc/45/45/17/587454517.db2.gz VBLGIQNOUXDUPK-SNVBAGLBSA-N 0 3 234.170 3.221 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCC1)c1ccccc1O ZINC000828687312 587457366 /nfs/dbraw/zinc/45/73/66/587457366.db2.gz JNHBNSCFMFURLW-CYBMUJFWSA-N 0 3 244.338 3.127 20 30 BGEDHN CC[C@H](NCC1(C#N)CCC1)c1ccccc1O ZINC000828687313 587457478 /nfs/dbraw/zinc/45/74/78/587457478.db2.gz JNHBNSCFMFURLW-ZDUSSCGKSA-N 0 3 244.338 3.127 20 30 BGEDHN C=C(C)CN(C)C[C@@]1(C)CC1(Cl)Cl ZINC000828735955 587459570 /nfs/dbraw/zinc/45/95/70/587459570.db2.gz CMXUWGBWFMNKQM-SECBINFHSA-N 0 3 222.159 3.078 20 30 BGEDHN C=C(C)CN(C)C[C@]1(C)CC1(Cl)Cl ZINC000828735956 587459287 /nfs/dbraw/zinc/45/92/87/587459287.db2.gz CMXUWGBWFMNKQM-VIFPVBQESA-N 0 3 222.159 3.078 20 30 BGEDHN C#CCN(CC/C=C\c1ccccc1)C1CC1 ZINC000828890897 587469103 /nfs/dbraw/zinc/46/91/03/587469103.db2.gz FDKNADSOMHCTKC-POHAHGRESA-N 0 3 225.335 3.188 20 30 BGEDHN C#CCN(CC/C=C/c1ccccc1)C1CC1 ZINC000828890898 587468959 /nfs/dbraw/zinc/46/89/59/587468959.db2.gz FDKNADSOMHCTKC-UXBLZVDNSA-N 0 3 225.335 3.188 20 30 BGEDHN C=CCCN(C)C[C@@]1(C)CC1(Cl)Cl ZINC000829141049 587483643 /nfs/dbraw/zinc/48/36/43/587483643.db2.gz YFZHUVZNRYDAMZ-SECBINFHSA-N 0 3 222.159 3.078 20 30 BGEDHN C=CCCN(C)C[C@]1(C)CC1(Cl)Cl ZINC000829141050 587483578 /nfs/dbraw/zinc/48/35/78/587483578.db2.gz YFZHUVZNRYDAMZ-VIFPVBQESA-N 0 3 222.159 3.078 20 30 BGEDHN C=CCCCCN1CCC(F)(F)CC1 ZINC000829366034 587494130 /nfs/dbraw/zinc/49/41/30/587494130.db2.gz GAWXXHPRTDWFJV-UHFFFAOYSA-N 0 3 203.276 3.074 20 30 BGEDHN C#CCCCNC1(c2ccccc2Cl)CC1 ZINC000829484952 587500137 /nfs/dbraw/zinc/50/01/37/587500137.db2.gz ZIUVUAAPMGYUGK-UHFFFAOYSA-N 0 3 233.742 3.332 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000829768403 587514587 /nfs/dbraw/zinc/51/45/87/587514587.db2.gz CGGBMHULVDWQDS-CYBMUJFWSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000829768405 587514563 /nfs/dbraw/zinc/51/45/63/587514563.db2.gz CGGBMHULVDWQDS-ZDUSSCGKSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000829768413 587514560 /nfs/dbraw/zinc/51/45/60/587514560.db2.gz CKOWPARCNXCDNO-GFCCVEGCSA-N 0 3 249.304 3.200 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000829768415 587514654 /nfs/dbraw/zinc/51/46/54/587514654.db2.gz CKOWPARCNXCDNO-LBPRGKRZSA-N 0 3 249.304 3.200 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000829768489 587514609 /nfs/dbraw/zinc/51/46/09/587514609.db2.gz DTSNGFPWRYCIKF-CYBMUJFWSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000829768490 587514591 /nfs/dbraw/zinc/51/45/91/587514591.db2.gz DTSNGFPWRYCIKF-ZDUSSCGKSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000829774560 587515217 /nfs/dbraw/zinc/51/52/17/587515217.db2.gz QCZMVHXKNSVKGJ-CYBMUJFWSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000829774561 587515223 /nfs/dbraw/zinc/51/52/23/587515223.db2.gz QCZMVHXKNSVKGJ-ZDUSSCGKSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000829809532 587517801 /nfs/dbraw/zinc/51/78/01/587517801.db2.gz CTUSWMYCADUHJW-GFCCVEGCSA-N 0 3 249.304 3.200 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000829809533 587517876 /nfs/dbraw/zinc/51/78/76/587517876.db2.gz CTUSWMYCADUHJW-LBPRGKRZSA-N 0 3 249.304 3.200 20 30 BGEDHN C#CCCCNC1(c2ccccc2F)CCC1 ZINC000829892532 587527311 /nfs/dbraw/zinc/52/73/11/587527311.db2.gz XXQMDYGIHGACOI-UHFFFAOYSA-N 0 3 231.314 3.208 20 30 BGEDHN C#CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000830301786 587545278 /nfs/dbraw/zinc/54/52/78/587545278.db2.gz VRSFHEFLNVLYBE-UHFFFAOYSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC1CCN(Cc2ccccc2Cl)CC1 ZINC000830302003 587545295 /nfs/dbraw/zinc/54/52/95/587545295.db2.gz XHQVHRDVRWCCCW-UHFFFAOYSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000830311009 587545262 /nfs/dbraw/zinc/54/52/62/587545262.db2.gz BJFVSTDAEZXAQB-GFCCVEGCSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000830311014 587545496 /nfs/dbraw/zinc/54/54/96/587545496.db2.gz BJFVSTDAEZXAQB-LBPRGKRZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000830311116 587545512 /nfs/dbraw/zinc/54/55/12/587545512.db2.gz DTPBKKNRQWANMY-UHFFFAOYSA-N 0 3 245.391 3.254 20 30 BGEDHN C#CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000830311817 645118680 /nfs/dbraw/zinc/11/86/80/645118680.db2.gz WHGJZXPIUQLVRU-UHFFFAOYSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000830316268 584908234 /nfs/dbraw/zinc/90/82/34/584908234.db2.gz KUUVURKQAVFDHF-LBPRGKRZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000830321401 587545725 /nfs/dbraw/zinc/54/57/25/587545725.db2.gz JZMPQWQNHFYZBZ-GFCCVEGCSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000830321402 587545980 /nfs/dbraw/zinc/54/59/80/587545980.db2.gz JZMPQWQNHFYZBZ-LBPRGKRZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000830326051 587545825 /nfs/dbraw/zinc/54/58/25/587545825.db2.gz ACIACUZNOGHVHB-INIZCTEOSA-N 0 3 243.325 3.158 20 30 BGEDHN C#CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000830326052 587545969 /nfs/dbraw/zinc/54/59/69/587545969.db2.gz ACIACUZNOGHVHB-MRXNPFEDSA-N 0 3 243.325 3.158 20 30 BGEDHN C#CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000830329964 587546149 /nfs/dbraw/zinc/54/61/49/587546149.db2.gz NPZKKUDAUYGYJV-UHFFFAOYSA-N 0 3 239.318 3.278 20 30 BGEDHN C#CC1CCN(Cc2ccccc2SC)CC1 ZINC000830345617 587546782 /nfs/dbraw/zinc/54/67/82/587546782.db2.gz KMENZUQXFSIPBH-UHFFFAOYSA-N 0 3 245.391 3.254 20 30 BGEDHN C#CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000830345896 587546898 /nfs/dbraw/zinc/54/68/98/587546898.db2.gz YBRFZUDORUHWAQ-UHFFFAOYSA-N 0 3 249.304 3.469 20 30 BGEDHN C#CCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764570 587568947 /nfs/dbraw/zinc/56/89/47/587568947.db2.gz JNDWGQOANCCTAL-INIZCTEOSA-N 0 3 237.346 3.403 20 30 BGEDHN C#CCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764572 587568905 /nfs/dbraw/zinc/56/89/05/587568905.db2.gz JNDWGQOANCCTAL-MRXNPFEDSA-N 0 3 237.346 3.403 20 30 BGEDHN C#CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972288 587579118 /nfs/dbraw/zinc/57/91/18/587579118.db2.gz LXJPUPYYQPUXNH-CYBMUJFWSA-N 0 3 237.705 3.153 20 30 BGEDHN C#CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972289 587578876 /nfs/dbraw/zinc/57/88/76/587578876.db2.gz LXJPUPYYQPUXNH-ZDUSSCGKSA-N 0 3 237.705 3.153 20 30 BGEDHN CCCCCCCCN1CC[C@](O)(C(F)F)C1 ZINC000831176772 587589814 /nfs/dbraw/zinc/58/98/14/587589814.db2.gz ZXZFIQYJGODWAW-CYBMUJFWSA-N 0 3 249.345 3.049 20 30 BGEDHN CCCCCCCCN1CC[C@@](O)(C(F)F)C1 ZINC000831176773 587589751 /nfs/dbraw/zinc/58/97/51/587589751.db2.gz ZXZFIQYJGODWAW-ZDUSSCGKSA-N 0 3 249.345 3.049 20 30 BGEDHN N#CCC[C@@H](C#N)CN1CCCCCCCC1 ZINC000831925825 587637098 /nfs/dbraw/zinc/63/70/98/587637098.db2.gz BOZDHXVNXTTZOQ-AWEZNQCLSA-N 0 3 233.359 3.086 20 30 BGEDHN N#CCC[C@H](C#N)CN1CCCCCCCC1 ZINC000831925826 587637042 /nfs/dbraw/zinc/63/70/42/587637042.db2.gz BOZDHXVNXTTZOQ-CQSZACIVSA-N 0 3 233.359 3.086 20 30 BGEDHN CCCCCCCN1CCN([C@@H](C)CC)CC1 ZINC000832186159 587649258 /nfs/dbraw/zinc/64/92/58/587649258.db2.gz CNRYPCMXKNLGJW-HNNXBMFYSA-N 0 3 240.435 3.373 20 30 BGEDHN CCCCCCCN1CCN([C@H](C)CC)CC1 ZINC000832186161 587649126 /nfs/dbraw/zinc/64/91/26/587649126.db2.gz CNRYPCMXKNLGJW-OAHLLOKOSA-N 0 3 240.435 3.373 20 30 BGEDHN C#CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832232191 587651572 /nfs/dbraw/zinc/65/15/72/587651572.db2.gz NSDQXJQDRYAZII-AWEZNQCLSA-N 0 3 229.323 3.220 20 30 BGEDHN C#CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000832232192 587651558 /nfs/dbraw/zinc/65/15/58/587651558.db2.gz NSDQXJQDRYAZII-CQSZACIVSA-N 0 3 229.323 3.220 20 30 BGEDHN C#CCCN1CCC[C@H]1c1ccc(F)cc1C ZINC000832524412 587665024 /nfs/dbraw/zinc/66/50/24/587665024.db2.gz OCABOMXIPFMVCI-HNNXBMFYSA-N 0 3 231.314 3.294 20 30 BGEDHN C#CCCN1CCC[C@@H]1c1ccc(F)cc1C ZINC000832524420 587665086 /nfs/dbraw/zinc/66/50/86/587665086.db2.gz OCABOMXIPFMVCI-OAHLLOKOSA-N 0 3 231.314 3.294 20 30 BGEDHN C=C(Br)CN1[C@H](C)CCC1(C)C ZINC000832564223 587666419 /nfs/dbraw/zinc/66/64/19/587666419.db2.gz DGUAAZIZXYSPMP-SECBINFHSA-N 0 3 232.165 3.158 20 30 BGEDHN C=C(Br)CN1[C@@H](C)CCC1(C)C ZINC000832564225 587666249 /nfs/dbraw/zinc/66/62/49/587666249.db2.gz DGUAAZIZXYSPMP-VIFPVBQESA-N 0 3 232.165 3.158 20 30 BGEDHN C=C(Cl)CN[C@H](C)CCCc1cccnc1 ZINC000834658124 587763037 /nfs/dbraw/zinc/76/30/37/587763037.db2.gz KCLZQXSYHBHPHM-GFCCVEGCSA-N 0 3 238.762 3.135 20 30 BGEDHN C=C(Cl)CN[C@@H](C)CCCc1cccnc1 ZINC000834658125 587763074 /nfs/dbraw/zinc/76/30/74/587763074.db2.gz KCLZQXSYHBHPHM-LBPRGKRZSA-N 0 3 238.762 3.135 20 30 BGEDHN C=C(Cl)CNC1CCc2ccccc2CC1 ZINC000834658129 587763213 /nfs/dbraw/zinc/76/32/13/587763213.db2.gz KLLGEHYKHQKLMT-UHFFFAOYSA-N 0 3 235.758 3.276 20 30 BGEDHN C=CCCCCCCCN[C@H]1CCn2ccnc21 ZINC000834803159 587767196 /nfs/dbraw/zinc/76/71/96/587767196.db2.gz LSOJZOVDOQQXOW-AWEZNQCLSA-N 0 3 247.386 3.444 20 30 BGEDHN C=CCCCCCCCN[C@@H]1CCn2ccnc21 ZINC000834803160 587767280 /nfs/dbraw/zinc/76/72/80/587767280.db2.gz LSOJZOVDOQQXOW-CQSZACIVSA-N 0 3 247.386 3.444 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1c(CC)noc1C ZINC000834881972 587769260 /nfs/dbraw/zinc/76/92/60/587769260.db2.gz HLBXCRHXRHVBOV-JTQLQIEISA-N 0 3 222.332 3.162 20 30 BGEDHN C=C(C)CCN[C@H](C)c1c(CC)noc1C ZINC000834881974 587768589 /nfs/dbraw/zinc/76/85/89/587768589.db2.gz HLBXCRHXRHVBOV-SNVBAGLBSA-N 0 3 222.332 3.162 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1cccnc1Cl ZINC000834882383 587769443 /nfs/dbraw/zinc/76/94/43/587769443.db2.gz OSTPNAHVGCZFPH-JTQLQIEISA-N 0 3 224.735 3.352 20 30 BGEDHN C=C(C)CCN[C@H](C)c1cccnc1Cl ZINC000834882385 587769305 /nfs/dbraw/zinc/76/93/05/587769305.db2.gz OSTPNAHVGCZFPH-SNVBAGLBSA-N 0 3 224.735 3.352 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1c(C)onc1CC ZINC000834882476 587769359 /nfs/dbraw/zinc/76/93/59/587769359.db2.gz AZDSLODEPSJVPH-JTQLQIEISA-N 0 3 236.359 3.408 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1c(C)onc1CC ZINC000834882479 587769425 /nfs/dbraw/zinc/76/94/25/587769425.db2.gz AZDSLODEPSJVPH-SNVBAGLBSA-N 0 3 236.359 3.408 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)cc1C ZINC000834888059 587769648 /nfs/dbraw/zinc/76/96/48/587769648.db2.gz JXTLVGCKGZMQPA-DFBGVHRSSA-N 0 3 249.329 3.128 20 30 BGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1C ZINC000834888067 587769689 /nfs/dbraw/zinc/76/96/89/587769689.db2.gz JXTLVGCKGZMQPA-GLQYFDAESA-N 0 3 249.329 3.128 20 30 BGEDHN C=CCC[C@@H](NCc1coc(CC)n1)C1CC1 ZINC000834897399 587769507 /nfs/dbraw/zinc/76/95/07/587769507.db2.gz GDEKRQPQZAQXFB-CYBMUJFWSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CCC[C@H](NCc1coc(CC)n1)C1CC1 ZINC000834897400 587769513 /nfs/dbraw/zinc/76/95/13/587769513.db2.gz GDEKRQPQZAQXFB-ZDUSSCGKSA-N 0 3 234.343 3.071 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1c(CC)noc1C ZINC000834901631 587769947 /nfs/dbraw/zinc/76/99/47/587769947.db2.gz AQPMVASQBBGLFP-JTQLQIEISA-N 0 3 222.332 3.162 20 30 BGEDHN C=C(CC)CN[C@H](C)c1c(CC)noc1C ZINC000834901633 587769815 /nfs/dbraw/zinc/76/98/15/587769815.db2.gz AQPMVASQBBGLFP-SNVBAGLBSA-N 0 3 222.332 3.162 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000834903371 587770024 /nfs/dbraw/zinc/77/00/24/587770024.db2.gz OTSKDCZCNHTOFT-LLVKDONJSA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2nc(Cl)ccc21 ZINC000834903372 584915342 /nfs/dbraw/zinc/91/53/42/584915342.db2.gz OTSKDCZCNHTOFT-NSHDSACASA-N 0 3 236.746 3.278 20 30 BGEDHN C(=Nn1cnnc1)C1CCC2(CCCCC2)CC1 ZINC000834911568 587770411 /nfs/dbraw/zinc/77/04/11/587770411.db2.gz CMACWKJBIIEZQS-UHFFFAOYSA-N 0 3 246.358 3.253 20 30 BGEDHN CC[C@@H](C)CC=Nn1cnnc1-c1ccccc1 ZINC000834935263 587771740 /nfs/dbraw/zinc/77/17/40/587771740.db2.gz YKAQAWDWQJQNPH-GFCCVEGCSA-N 0 3 242.326 3.215 20 30 BGEDHN CC[C@H](C)CC=Nn1cnnc1-c1ccccc1 ZINC000834935265 587771746 /nfs/dbraw/zinc/77/17/46/587771746.db2.gz YKAQAWDWQJQNPH-LBPRGKRZSA-N 0 3 242.326 3.215 20 30 BGEDHN CCCCNN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834940040 587771765 /nfs/dbraw/zinc/77/17/65/587771765.db2.gz BQRUNVISUAAEPP-RNSDFLPJSA-N 0 3 245.370 3.141 20 30 BGEDHN CCCCNN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834940041 587771807 /nfs/dbraw/zinc/77/18/07/587771807.db2.gz BQRUNVISUAAEPP-VCCRAVIASA-N 0 3 245.370 3.141 20 30 BGEDHN CCC(CC)NN=C1CCCc2cc(N)ccc21 ZINC000834958989 587772483 /nfs/dbraw/zinc/77/24/83/587772483.db2.gz CSOFYYDKJNBTOO-UHFFFAOYSA-N 0 3 245.370 3.087 20 30 BGEDHN CC[C@H](C)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834971638 587774303 /nfs/dbraw/zinc/77/43/03/587774303.db2.gz ACFCCPREQFGSOK-TUUPZOIJSA-N 0 3 245.370 3.140 20 30 BGEDHN CN(C)c1ccc(/C=C/C=NOC2CCC2)cc1 ZINC000834979328 587775372 /nfs/dbraw/zinc/77/53/72/587775372.db2.gz NBTMCVYORZJFFG-CHKRWBCGSA-N 0 3 244.338 3.321 20 30 BGEDHN CN(C)c1ccc(/C=C\C=NOC2CCC2)cc1 ZINC000834979329 587775313 /nfs/dbraw/zinc/77/53/13/587775313.db2.gz NBTMCVYORZJFFG-OSTGWFGFSA-N 0 3 244.338 3.321 20 30 BGEDHN CN(C)c1ccc(/C=C\C=NOCC2CC2)cc1 ZINC000834982249 587776034 /nfs/dbraw/zinc/77/60/34/587776034.db2.gz SWFZZXYNAWPMRS-DINFGWAUSA-N 0 3 244.338 3.178 20 30 BGEDHN CN(C)c1ccc(/C=C/C=NOCC2CC2)cc1 ZINC000834982250 587776112 /nfs/dbraw/zinc/77/61/12/587776112.db2.gz SWFZZXYNAWPMRS-KJFCXQQNSA-N 0 3 244.338 3.178 20 30 BGEDHN CC(C)ON=C1CCCC[C@@H]1N1CCCCC1 ZINC000834999959 584916972 /nfs/dbraw/zinc/91/69/72/584916972.db2.gz IWXHRSPXNMYGKY-AWEZNQCLSA-N 0 3 238.375 3.196 20 30 BGEDHN CC(C)ON=C1CCCC[C@H]1N1CCCCC1 ZINC000834999966 584916923 /nfs/dbraw/zinc/91/69/23/584916923.db2.gz IWXHRSPXNMYGKY-CQSZACIVSA-N 0 3 238.375 3.196 20 30 BGEDHN CC(C)ON=C/C=C\c1ccc(N(C)C)cc1 ZINC000835002193 584917282 /nfs/dbraw/zinc/91/72/82/584917282.db2.gz NFHKTROVONYEBU-RSEXBFPBSA-N 0 3 232.327 3.177 20 30 BGEDHN CC(C)ON=C/C=C/c1ccc(N(C)C)cc1 ZINC000835002197 584917216 /nfs/dbraw/zinc/91/72/16/584917216.db2.gz NFHKTROVONYEBU-SFRKUPBLSA-N 0 3 232.327 3.177 20 30 BGEDHN CC(C)ON=Cc1ccc(N2CCCCC2)cc1 ZINC000835004332 587777379 /nfs/dbraw/zinc/77/73/79/587777379.db2.gz MJSKVWSGEHUXND-UHFFFAOYSA-N 0 3 246.354 3.436 20 30 BGEDHN CC(C)ON=Cc1ccccc1N1CCCCC1 ZINC000835004721 587777270 /nfs/dbraw/zinc/77/72/70/587777270.db2.gz XDOZSYOCUZWLBN-UHFFFAOYSA-N 0 3 246.354 3.436 20 30 BGEDHN C=CCON=C(CC)c1ccc(N(C)C)cc1 ZINC000835013079 587777964 /nfs/dbraw/zinc/77/79/64/587777964.db2.gz GTZHYGHHENIJTN-UHFFFAOYSA-N 0 3 232.327 3.069 20 30 BGEDHN C=CCON=Cc1ccc(N2CCCCC2)cc1 ZINC000835014842 584918645 /nfs/dbraw/zinc/91/86/45/584918645.db2.gz AJIBCJXVBMVWDS-UHFFFAOYSA-N 0 3 244.338 3.213 20 30 BGEDHN C=CCON=C(C)c1ccc(N(C)CC)cc1 ZINC000835014851 584918690 /nfs/dbraw/zinc/91/86/90/584918690.db2.gz ATUVUICNLCEGOZ-UHFFFAOYSA-N 0 3 232.327 3.069 20 30 BGEDHN C=CCON=Cc1ccccc1N1CCCCC1 ZINC000835015603 584918748 /nfs/dbraw/zinc/91/87/48/584918748.db2.gz LPTIVULMTYPVHS-UHFFFAOYSA-N 0 3 244.338 3.213 20 30 BGEDHN C=C(C)CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835044009 587779358 /nfs/dbraw/zinc/77/93/58/587779358.db2.gz FTRUJHZIOWRSJL-SREVYHEPSA-N 0 3 244.382 3.274 20 30 BGEDHN C=C(C)CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835044010 587779451 /nfs/dbraw/zinc/77/94/51/587779451.db2.gz FTRUJHZIOWRSJL-VOTSOKGWSA-N 0 3 244.382 3.274 20 30 BGEDHN C=C(CC)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835054292 587779526 /nfs/dbraw/zinc/77/95/26/587779526.db2.gz IXQTZKALXRRKJT-SREVYHEPSA-N 0 3 244.382 3.322 20 30 BGEDHN C=C(CC)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835054293 587779593 /nfs/dbraw/zinc/77/95/93/587779593.db2.gz IXQTZKALXRRKJT-VOTSOKGWSA-N 0 3 244.382 3.322 20 30 BGEDHN C=CCN(Cc1ccc(O)c(OCC)c1)C(C)C ZINC000838793127 585068477 /nfs/dbraw/zinc/06/84/77/585068477.db2.gz FSUUGZKPHQCACF-UHFFFAOYSA-N 0 3 249.354 3.187 20 30 BGEDHN CCCCCCCNCc1cnc(C2CC2)nc1 ZINC000838896124 585079433 /nfs/dbraw/zinc/07/94/33/585079433.db2.gz YOOINFDEAYLKAI-UHFFFAOYSA-N 0 3 247.386 3.414 20 30 BGEDHN C#CCCCNCc1c(F)cc(C)cc1Cl ZINC000838970321 585083224 /nfs/dbraw/zinc/08/32/24/585083224.db2.gz DZXHHAYOGYFZKP-UHFFFAOYSA-N 0 3 239.721 3.291 20 30 BGEDHN C=C(Cl)CNC1CC(C)(c2ccccc2)C1 ZINC000838989296 585084676 /nfs/dbraw/zinc/08/46/76/585084676.db2.gz QICRUPLTXKSVHN-UHFFFAOYSA-N 0 3 235.758 3.449 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC000839062047 712402042 /nfs/dbraw/zinc/40/20/42/712402042.db2.gz POIKZGGXBQUJKI-GFCCVEGCSA-N 0 3 213.324 3.018 20 30 BGEDHN C#C[C@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC000839062048 712402088 /nfs/dbraw/zinc/40/20/88/712402088.db2.gz POIKZGGXBQUJKI-LBPRGKRZSA-N 0 3 213.324 3.018 20 30 BGEDHN C=CCCCCCCCNCc1cnccn1 ZINC000839109623 585091611 /nfs/dbraw/zinc/09/16/11/585091611.db2.gz ZKEOEIVCHONBGK-UHFFFAOYSA-N 0 3 233.359 3.093 20 30 BGEDHN C#C[C@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000839110492 585091654 /nfs/dbraw/zinc/09/16/54/585091654.db2.gz CRXGJRJYVRGRNK-HNNXBMFYSA-N 0 3 243.325 3.422 20 30 BGEDHN C#C[C@@H](NC1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000839110494 585091666 /nfs/dbraw/zinc/09/16/66/585091666.db2.gz CRXGJRJYVRGRNK-OAHLLOKOSA-N 0 3 243.325 3.422 20 30 BGEDHN CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1[O-] ZINC000839162843 585098169 /nfs/dbraw/zinc/09/81/69/585098169.db2.gz CJQOTVKTEMSAJW-CYBMUJFWSA-N 0 3 246.354 3.373 20 30 BGEDHN CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1[O-] ZINC000839162844 585098151 /nfs/dbraw/zinc/09/81/51/585098151.db2.gz CJQOTVKTEMSAJW-ZDUSSCGKSA-N 0 3 246.354 3.373 20 30 BGEDHN COc1ccc(CNCC(C)(C)CC#N)cc1C ZINC000839162934 585098157 /nfs/dbraw/zinc/09/81/57/585098157.db2.gz FFZLFNQGVFVWCU-UHFFFAOYSA-N 0 3 246.354 3.033 20 30 BGEDHN Cc1cc([O-])c(C[NH2+]CC(C)(C)CC#N)cc1C ZINC000839163504 585098196 /nfs/dbraw/zinc/09/81/96/585098196.db2.gz NMQOQOQKSYOANJ-UHFFFAOYSA-N 0 3 246.354 3.039 20 30 BGEDHN C#CCCCN1CCc2cccc(Cl)c2C1 ZINC000839173721 585096448 /nfs/dbraw/zinc/09/64/48/585096448.db2.gz WODSLBCNZFGWTL-UHFFFAOYSA-N 0 3 233.742 3.112 20 30 BGEDHN CCCCCCCCN[C@H](C)c1ccn(C)n1 ZINC000839194263 585097847 /nfs/dbraw/zinc/09/78/47/585097847.db2.gz IYQWQKSZARCWHW-CYBMUJFWSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCCN[C@@H](C)c1ccn(C)n1 ZINC000839194264 585097932 /nfs/dbraw/zinc/09/79/32/585097932.db2.gz IYQWQKSZARCWHW-ZDUSSCGKSA-N 0 3 237.391 3.431 20 30 BGEDHN CCCCCCCN[C@H](C)c1ccn(C)n1 ZINC000839196918 585098773 /nfs/dbraw/zinc/09/87/73/585098773.db2.gz SDPJMBMKBKQMIK-GFCCVEGCSA-N 0 3 223.364 3.041 20 30 BGEDHN CCCCCCCN[C@@H](C)c1ccn(C)n1 ZINC000839196920 585099031 /nfs/dbraw/zinc/09/90/31/585099031.db2.gz SDPJMBMKBKQMIK-LBPRGKRZSA-N 0 3 223.364 3.041 20 30 BGEDHN C[C@H](CCC#N)N1Cc2ccccc2[C@H](C)C1 ZINC000839463451 585105306 /nfs/dbraw/zinc/10/53/06/585105306.db2.gz YGOILFVMHZESCX-CHWSQXEVSA-N 0 3 228.339 3.298 20 30 BGEDHN C[C@@H](CCC#N)N1Cc2ccccc2[C@H](C)C1 ZINC000839463452 585105276 /nfs/dbraw/zinc/10/52/76/585105276.db2.gz YGOILFVMHZESCX-OLZOCXBDSA-N 0 3 228.339 3.298 20 30 BGEDHN C[C@H](CCC#N)N1Cc2ccccc2[C@@H](C)C1 ZINC000839463453 585105292 /nfs/dbraw/zinc/10/52/92/585105292.db2.gz YGOILFVMHZESCX-QWHCGFSZSA-N 0 3 228.339 3.298 20 30 BGEDHN C[C@@H](CCC#N)N1Cc2ccccc2[C@@H](C)C1 ZINC000839463454 585105438 /nfs/dbraw/zinc/10/54/38/585105438.db2.gz YGOILFVMHZESCX-STQMWFEESA-N 0 3 228.339 3.298 20 30 BGEDHN Cc1cccc2c1CCN([C@H](C)CCC#N)C2 ZINC000839481606 585105069 /nfs/dbraw/zinc/10/50/69/585105069.db2.gz WLFKBGCPFYGDEU-CYBMUJFWSA-N 0 3 228.339 3.045 20 30 BGEDHN Cc1cccc2c1CCN([C@@H](C)CCC#N)C2 ZINC000839481609 585105034 /nfs/dbraw/zinc/10/50/34/585105034.db2.gz WLFKBGCPFYGDEU-ZDUSSCGKSA-N 0 3 228.339 3.045 20 30 BGEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccccc1OC ZINC000839539291 585330150 /nfs/dbraw/zinc/33/01/50/585330150.db2.gz SXBJODDKZUDZNN-GXTWGEPZSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccccc1OC ZINC000839539292 585329875 /nfs/dbraw/zinc/32/98/75/585329875.db2.gz SXBJODDKZUDZNN-JSGCOSHPSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@H](N[C@H](C)CCC#N)c1ccccc1OC ZINC000839539294 585329956 /nfs/dbraw/zinc/32/99/56/585329956.db2.gz SXBJODDKZUDZNN-OCCSQVGLSA-N 0 3 246.354 3.428 20 30 BGEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccccc1OC ZINC000839539296 585330117 /nfs/dbraw/zinc/33/01/17/585330117.db2.gz SXBJODDKZUDZNN-TZMCWYRMSA-N 0 3 246.354 3.428 20 30 BGEDHN N#CCCNC(C1CCCC1)C1CCCC1 ZINC000839539915 585330106 /nfs/dbraw/zinc/33/01/06/585330106.db2.gz FWMUWVRBDXKWLN-UHFFFAOYSA-N 0 3 220.360 3.239 20 30 BGEDHN CCCCC[C@@H](NCCC#N)C(C)(C)C ZINC000839545857 585330167 /nfs/dbraw/zinc/33/01/67/585330167.db2.gz YVNYBZUYOCYRPP-GFCCVEGCSA-N 0 3 210.365 3.485 20 30 BGEDHN CCCCC[C@H](NCCC#N)C(C)(C)C ZINC000839545858 585330380 /nfs/dbraw/zinc/33/03/80/585330380.db2.gz YVNYBZUYOCYRPP-LBPRGKRZSA-N 0 3 210.365 3.485 20 30 BGEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000839562863 585331443 /nfs/dbraw/zinc/33/14/43/585331443.db2.gz CXBLVAOSDNLCJU-CHWSQXEVSA-N 0 3 245.370 3.095 20 30 BGEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000839562864 585331262 /nfs/dbraw/zinc/33/12/62/585331262.db2.gz CXBLVAOSDNLCJU-OLZOCXBDSA-N 0 3 245.370 3.095 20 30 BGEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(N(C)C)cc1 ZINC000839562865 585331163 /nfs/dbraw/zinc/33/11/63/585331163.db2.gz CXBLVAOSDNLCJU-QWHCGFSZSA-N 0 3 245.370 3.095 20 30 BGEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000839562866 585331275 /nfs/dbraw/zinc/33/12/75/585331275.db2.gz CXBLVAOSDNLCJU-STQMWFEESA-N 0 3 245.370 3.095 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1SCC ZINC000839568525 585330632 /nfs/dbraw/zinc/33/06/32/585330632.db2.gz SFPCUCUIOJJMIU-GHMZBOCLSA-N 0 3 233.808 3.393 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCCC[C@@H]1SCC ZINC000839568531 585330502 /nfs/dbraw/zinc/33/05/02/585330502.db2.gz SFPCUCUIOJJMIU-MNOVXSKESA-N 0 3 233.808 3.393 20 30 BGEDHN C=C(Cl)CN[C@H]1CCCC[C@@H]1SCC ZINC000839568533 585330791 /nfs/dbraw/zinc/33/07/91/585330791.db2.gz SFPCUCUIOJJMIU-QWRGUYRKSA-N 0 3 233.808 3.393 20 30 BGEDHN C=C(Cl)CN[C@H]1CCCC[C@H]1SCC ZINC000839568535 585330513 /nfs/dbraw/zinc/33/05/13/585330513.db2.gz SFPCUCUIOJJMIU-WDEREUQCSA-N 0 3 233.808 3.393 20 30 BGEDHN C=C(Cl)CN[C@H](CC(F)(F)F)C(C)C ZINC000839574602 585330749 /nfs/dbraw/zinc/33/07/49/585330749.db2.gz MMUPGPUIELMPRI-MRVPVSSYSA-N 0 3 229.673 3.306 20 30 BGEDHN C=C(Cl)CN[C@@H](CC(F)(F)F)C(C)C ZINC000839574603 585330679 /nfs/dbraw/zinc/33/06/79/585330679.db2.gz MMUPGPUIELMPRI-QMMMGPOBSA-N 0 3 229.673 3.306 20 30 BGEDHN C=C(Cl)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000839575973 585330563 /nfs/dbraw/zinc/33/05/63/585330563.db2.gz XAPSZQAVAXNICT-GXSJLCMTSA-N 0 3 201.741 3.249 20 30 BGEDHN C=C(Cl)CN(C)[C@H]1CCCC[C@H]1C ZINC000839575978 585330652 /nfs/dbraw/zinc/33/06/52/585330652.db2.gz XAPSZQAVAXNICT-KOLCDFICSA-N 0 3 201.741 3.249 20 30 BGEDHN C=C(Cl)CN(C)[C@@H]1CCCC[C@H]1C ZINC000839575980 585330483 /nfs/dbraw/zinc/33/04/83/585330483.db2.gz XAPSZQAVAXNICT-MWLCHTKSSA-N 0 3 201.741 3.249 20 30 BGEDHN C=C(Cl)CN(C)[C@H]1CCCC[C@@H]1C ZINC000839575982 585330700 /nfs/dbraw/zinc/33/07/00/585330700.db2.gz XAPSZQAVAXNICT-ONGXEEELSA-N 0 3 201.741 3.249 20 30 BGEDHN C#CC(C)(C)N(C)CCC1(C#N)CCCCC1 ZINC000839580894 585331132 /nfs/dbraw/zinc/33/11/32/585331132.db2.gz LWGIFVYPHCJOCH-UHFFFAOYSA-N 0 3 232.371 3.194 20 30 BGEDHN C#CC(C)(C)N(C)C/C=C/c1ccccc1 ZINC000839581445 585331129 /nfs/dbraw/zinc/33/11/29/585331129.db2.gz SKBOTGYIGBUEKS-FMIVXFBMSA-N 0 3 213.324 3.043 20 30 BGEDHN C#CC(C)(C)N(C)C/C=C\c1ccccc1 ZINC000839581452 585330922 /nfs/dbraw/zinc/33/09/22/585330922.db2.gz SKBOTGYIGBUEKS-XFXZXTDPSA-N 0 3 213.324 3.043 20 30 BGEDHN C=C(Cl)CN1CCSC2(CCC2)CC1 ZINC000839625955 585332577 /nfs/dbraw/zinc/33/25/77/585332577.db2.gz YSYMYUARBHUZTA-UHFFFAOYSA-N 0 3 231.792 3.101 20 30 BGEDHN CCCCCCCN1CCCc2c(cnn2C)C1 ZINC000839627575 585332813 /nfs/dbraw/zinc/33/28/13/585332813.db2.gz JVPMLIOZIZKAIO-UHFFFAOYSA-N 0 3 249.402 3.139 20 30 BGEDHN C=C(Cl)CN(CC)C1CC(C)(C)C1 ZINC000839666422 585334420 /nfs/dbraw/zinc/33/44/20/585334420.db2.gz REGCILOVLDDMNB-UHFFFAOYSA-N 0 3 201.741 3.249 20 30 BGEDHN CCCCCCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000840734345 636577725 /nfs/dbraw/zinc/57/77/25/636577725.db2.gz YDIUASBTZXZRBI-CYBMUJFWSA-N 0 3 249.402 3.450 20 30 BGEDHN CCCCCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840734348 636577522 /nfs/dbraw/zinc/57/75/22/636577522.db2.gz YDIUASBTZXZRBI-ZDUSSCGKSA-N 0 3 249.402 3.450 20 30 BGEDHN C=CCCCCCCN[C@@H](C)c1ccn(C)n1 ZINC000840750010 641701459 /nfs/dbraw/zinc/70/14/59/641701459.db2.gz NQQGSULXLDGQMC-ZDUSSCGKSA-N 0 3 235.375 3.207 20 30 BGEDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000840787357 587921948 /nfs/dbraw/zinc/92/19/48/587921948.db2.gz KVGQDKFCTHICMT-GFCCVEGCSA-N 0 3 246.354 3.291 20 30 BGEDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000840787358 587921759 /nfs/dbraw/zinc/92/17/59/587921759.db2.gz KVGQDKFCTHICMT-LBPRGKRZSA-N 0 3 246.354 3.291 20 30 BGEDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c([O-])c1 ZINC000840787725 587921784 /nfs/dbraw/zinc/92/17/84/587921784.db2.gz ORSHUPUOWMKHIR-GFCCVEGCSA-N 0 3 246.354 3.291 20 30 BGEDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)c([O-])c1 ZINC000840787727 587922003 /nfs/dbraw/zinc/92/20/03/587922003.db2.gz ORSHUPUOWMKHIR-LBPRGKRZSA-N 0 3 246.354 3.291 20 30 BGEDHN CCCCCCCNCc1cnc(CC)nc1 ZINC000840872703 587926892 /nfs/dbraw/zinc/92/68/92/587926892.db2.gz MOMPSGVGFXMEPJ-UHFFFAOYSA-N 0 3 235.375 3.099 20 30 BGEDHN CCCCCCCCNCc1cnc(CC)nc1 ZINC000840874154 587927195 /nfs/dbraw/zinc/92/71/95/587927195.db2.gz XDUYLCUTGYLAQE-UHFFFAOYSA-N 0 3 249.402 3.489 20 30 BGEDHN C=C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840914444 587929658 /nfs/dbraw/zinc/92/96/58/587929658.db2.gz VCHFPXCKRWWKEP-UHFFFAOYSA-N 0 3 244.382 3.213 20 30 BGEDHN C=CCN(Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840939689 587930852 /nfs/dbraw/zinc/93/08/52/587930852.db2.gz ODEUXRXSQKUHNU-UHFFFAOYSA-N 0 3 244.382 3.211 20 30 BGEDHN C#C[C@H](C)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000840944915 587931414 /nfs/dbraw/zinc/93/14/14/587931414.db2.gz LRTRVUWJIQTZHI-JTQLQIEISA-N 0 3 241.256 3.125 20 30 BGEDHN C#C[C@@H](C)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000840944916 587931300 /nfs/dbraw/zinc/93/13/00/587931300.db2.gz LRTRVUWJIQTZHI-SNVBAGLBSA-N 0 3 241.256 3.125 20 30 BGEDHN C=CCCCCCCNCc1cnc(CC)nc1 ZINC000840945819 587931229 /nfs/dbraw/zinc/93/12/29/587931229.db2.gz BYKGJGBDAALZNT-UHFFFAOYSA-N 0 3 247.386 3.265 20 30 BGEDHN C=CCCCCCCNCc1ccc(C)nn1 ZINC000840946754 587931168 /nfs/dbraw/zinc/93/11/68/587931168.db2.gz SXVVAWNQOSDTAX-UHFFFAOYSA-N 0 3 233.359 3.011 20 30 BGEDHN C=CCCCCCCCNCc1cc(C)n(C)n1 ZINC000840946803 587931151 /nfs/dbraw/zinc/93/11/51/587931151.db2.gz OLSXTWOLMYHROQ-UHFFFAOYSA-N 0 3 249.402 3.345 20 30 BGEDHN C#Cc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000840963332 587932377 /nfs/dbraw/zinc/93/23/77/587932377.db2.gz QRWXNKUVGQLODP-HUUCEWRRSA-N 0 3 231.314 3.038 20 30 BGEDHN C=CCCCCCCCNCc1cc(C)nn1C ZINC000841886907 587981543 /nfs/dbraw/zinc/98/15/43/587981543.db2.gz WBIVSZBELBBRHA-UHFFFAOYSA-N 0 3 249.402 3.345 20 30 BGEDHN CCCCC[C@@H](C)NCC1(C#N)CCC1 ZINC000841895744 587982971 /nfs/dbraw/zinc/98/29/71/587982971.db2.gz BNLLJQCJYBDNTN-GFCCVEGCSA-N 0 3 208.349 3.239 20 30 BGEDHN CCCCC[C@H](C)NCC1(C#N)CCC1 ZINC000841895753 587982960 /nfs/dbraw/zinc/98/29/60/587982960.db2.gz BNLLJQCJYBDNTN-LBPRGKRZSA-N 0 3 208.349 3.239 20 30 BGEDHN N#CC1(CNC2CCCCCCC2)CCC1 ZINC000841899114 587982922 /nfs/dbraw/zinc/98/29/22/587982922.db2.gz SMZCBPAWMAVPJS-UHFFFAOYSA-N 0 3 220.360 3.383 20 30 BGEDHN C[C@H](CSC(C)(C)C)NCC1(C#N)CCC1 ZINC000841899496 583778213 /nfs/dbraw/zinc/77/82/13/583778213.db2.gz VQMZAMUBNYYTSZ-LLVKDONJSA-N 0 3 240.416 3.190 20 30 BGEDHN C[C@@H](CSC(C)(C)C)NCC1(C#N)CCC1 ZINC000841899504 583778358 /nfs/dbraw/zinc/77/83/58/583778358.db2.gz VQMZAMUBNYYTSZ-NSHDSACASA-N 0 3 240.416 3.190 20 30 BGEDHN C[C@H](Cc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000841899611 587982539 /nfs/dbraw/zinc/98/25/39/587982539.db2.gz XCNINMUCJDZEJD-GFCCVEGCSA-N 0 3 246.329 3.040 20 30 BGEDHN C[C@@H](Cc1cccc(F)c1)NCC1(C#N)CCC1 ZINC000841899613 587982481 /nfs/dbraw/zinc/98/24/81/587982481.db2.gz XCNINMUCJDZEJD-LBPRGKRZSA-N 0 3 246.329 3.040 20 30 BGEDHN CCCON=C/C=C\c1ccc(N(C)C)cc1 ZINC000842551564 588041744 /nfs/dbraw/zinc/04/17/44/588041744.db2.gz CWFHRLFDPJDJOY-RSEXBFPBSA-N 0 3 232.327 3.178 20 30 BGEDHN CCCON=C/C=C/c1ccc(N(C)C)cc1 ZINC000842551566 584969034 /nfs/dbraw/zinc/96/90/34/584969034.db2.gz CWFHRLFDPJDJOY-SFRKUPBLSA-N 0 3 232.327 3.178 20 30 BGEDHN Cc1cc(SCCN2CCCC2)ccc1C#N ZINC000842632045 588047072 /nfs/dbraw/zinc/04/70/72/588047072.db2.gz CGWQRDUMZBZKEB-UHFFFAOYSA-N 0 3 246.379 3.055 20 30 BGEDHN N#CC(C(=O)C=CC1CCCC1)c1ccccn1 ZINC000842686087 588052602 /nfs/dbraw/zinc/05/26/02/588052602.db2.gz ZKHORSYYXXBDDG-LJTDUEICSA-N 0 3 240.306 3.004 20 30 BGEDHN N#CC(C(=O)C=CC1CCCC1)c1ccccn1 ZINC000842686088 588052420 /nfs/dbraw/zinc/05/24/20/588052420.db2.gz ZKHORSYYXXBDDG-MMQHEFTJSA-N 0 3 240.306 3.004 20 30 BGEDHN N#CC(C(=O)C=CC1CCCC1)c1ccccn1 ZINC000842686089 588052211 /nfs/dbraw/zinc/05/22/11/588052211.db2.gz ZKHORSYYXXBDDG-XEHSLEBBSA-N 0 3 240.306 3.004 20 30 BGEDHN N#CC(C(=O)C=CC1CCCC1)c1ccccn1 ZINC000842686090 588052587 /nfs/dbraw/zinc/05/25/87/588052587.db2.gz ZKHORSYYXXBDDG-YXVBKTCISA-N 0 3 240.306 3.004 20 30 BGEDHN C=CCN(Cc1cccc2c1NCC2)C(C)C ZINC000843060071 588078176 /nfs/dbraw/zinc/07/81/76/588078176.db2.gz BYMZMTRAZSSYEH-UHFFFAOYSA-N 0 3 230.355 3.051 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1ccno1 ZINC000843402281 588106330 /nfs/dbraw/zinc/10/63/30/588106330.db2.gz FJTWEKBJHMPEIP-GFCCVEGCSA-N 0 3 222.332 3.289 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1ccno1 ZINC000843402282 588106543 /nfs/dbraw/zinc/10/65/43/588106543.db2.gz FJTWEKBJHMPEIP-LBPRGKRZSA-N 0 3 222.332 3.289 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2ccc(CC)o2)C1 ZINC000843423889 588108013 /nfs/dbraw/zinc/10/80/13/588108013.db2.gz LKEQBGQICRZCBL-CYBMUJFWSA-N 0 3 231.339 3.077 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2ccc(CC)o2)C1 ZINC000843423892 588107686 /nfs/dbraw/zinc/10/76/86/588107686.db2.gz LKEQBGQICRZCBL-ZDUSSCGKSA-N 0 3 231.339 3.077 20 30 BGEDHN C#CC1CCN(Cc2ccc(CC)s2)CC1 ZINC000843427219 588108484 /nfs/dbraw/zinc/10/84/84/588108484.db2.gz WBOHUYDRDKTLDQ-UHFFFAOYSA-N 0 3 233.380 3.156 20 30 BGEDHN C#CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000843428848 588108637 /nfs/dbraw/zinc/10/86/37/588108637.db2.gz PBXHVLLCTVKTGX-DOMZBBRYSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000843428849 588108526 /nfs/dbraw/zinc/10/85/26/588108526.db2.gz PBXHVLLCTVKTGX-IUODEOHRSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000843428851 588108812 /nfs/dbraw/zinc/10/88/12/588108812.db2.gz PBXHVLLCTVKTGX-SWLSCSKDSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000843428853 588108818 /nfs/dbraw/zinc/10/88/18/588108818.db2.gz PBXHVLLCTVKTGX-WFASDCNBSA-N 0 3 243.350 3.248 20 30 BGEDHN C#C[C@@H](C)N(C)CCO[C@H](CC)c1ccccc1 ZINC000844325196 588185139 /nfs/dbraw/zinc/18/51/39/588185139.db2.gz UTXATXVUILPUMO-GDBMZVCRSA-N 0 3 245.366 3.108 20 30 BGEDHN C#C[C@H](C)N(C)CCO[C@H](CC)c1ccccc1 ZINC000844325197 588184862 /nfs/dbraw/zinc/18/48/62/588184862.db2.gz UTXATXVUILPUMO-GOEBONIOSA-N 0 3 245.366 3.108 20 30 BGEDHN C#C[C@H](C)N(C)CCO[C@@H](CC)c1ccccc1 ZINC000844325199 588184765 /nfs/dbraw/zinc/18/47/65/588184765.db2.gz UTXATXVUILPUMO-HOCLYGCPSA-N 0 3 245.366 3.108 20 30 BGEDHN C#C[C@@H](C)N(C)CCO[C@@H](CC)c1ccccc1 ZINC000844325200 588185296 /nfs/dbraw/zinc/18/52/96/588185296.db2.gz UTXATXVUILPUMO-ZBFHGGJFSA-N 0 3 245.366 3.108 20 30 BGEDHN C#CCCNC1(c2ccccc2Cl)CCC1 ZINC000844349925 588186351 /nfs/dbraw/zinc/18/63/51/588186351.db2.gz DKEHKZZUBGGAEK-UHFFFAOYSA-N 0 3 233.742 3.332 20 30 BGEDHN N#Cc1cc(F)ccc1CNC1(C2CCC2)CC1 ZINC000844418985 645329146 /nfs/dbraw/zinc/32/91/46/645329146.db2.gz JJFNCQQRFDNDLO-UHFFFAOYSA-N 0 3 244.313 3.120 20 30 BGEDHN CCCCCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454435 588190716 /nfs/dbraw/zinc/19/07/16/588190716.db2.gz YTTOHKXXIJSKJJ-PHIMTYICSA-N 0 3 217.303 3.154 20 30 BGEDHN C=C(C)CON=C(C)c1ccc(N(C)C)cc1 ZINC000844615224 588207865 /nfs/dbraw/zinc/20/78/65/588207865.db2.gz OWWRTZHFYLYZFY-UHFFFAOYSA-N 0 3 232.327 3.069 20 30 BGEDHN C=C(C)CON=C(C)c1cccc(CN(C)C)c1 ZINC000844619485 582601051 /nfs/dbraw/zinc/60/10/51/582601051.db2.gz FYSKBHHLLJKLSM-UHFFFAOYSA-N 0 3 246.354 3.065 20 30 BGEDHN C=C[C@H](C)ON=C/C=C/c1ccc(N(C)C)cc1 ZINC000844620808 588209319 /nfs/dbraw/zinc/20/93/19/588209319.db2.gz QCZMHZRJXLWAAB-ACWMWYCWSA-N 0 3 244.338 3.343 20 30 BGEDHN C=C[C@H](C)ON=C/C=C\c1ccc(N(C)C)cc1 ZINC000844620809 588209496 /nfs/dbraw/zinc/20/94/96/588209496.db2.gz QCZMHZRJXLWAAB-TUUPZOIJSA-N 0 3 244.338 3.343 20 30 BGEDHN C=C[C@@H](C)ON=C/C=C/c1ccc(N(C)C)cc1 ZINC000844620810 588209528 /nfs/dbraw/zinc/20/95/28/588209528.db2.gz QCZMHZRJXLWAAB-WOLDNIJLSA-N 0 3 244.338 3.343 20 30 BGEDHN C=C[C@@H](C)ON=C(C)c1cccc(CN(C)C)c1 ZINC000844621005 582601650 /nfs/dbraw/zinc/60/16/50/582601650.db2.gz UDUXAYKLZUTNKN-GFCCVEGCSA-N 0 3 246.354 3.063 20 30 BGEDHN C=C[C@H](C)ON=C(C)c1cccc(CN(C)C)c1 ZINC000844621008 582601797 /nfs/dbraw/zinc/60/17/97/582601797.db2.gz UDUXAYKLZUTNKN-LBPRGKRZSA-N 0 3 246.354 3.063 20 30 BGEDHN C=C[C@@H](C)ON=C(C)c1ccc(N(C)C)cc1 ZINC000844625384 582605863 /nfs/dbraw/zinc/60/58/63/582605863.db2.gz QYKUFEDXJASWBO-LLVKDONJSA-N 0 3 232.327 3.068 20 30 BGEDHN C=C[C@H](C)ON=C(C)c1ccc(N(C)C)cc1 ZINC000844625392 582605623 /nfs/dbraw/zinc/60/56/23/582605623.db2.gz QYKUFEDXJASWBO-NSHDSACASA-N 0 3 232.327 3.068 20 30 BGEDHN C=CCN(Cc1cc2cnccc2o1)C(C)C ZINC000845903780 588250038 /nfs/dbraw/zinc/25/00/38/588250038.db2.gz HNLHKTKTWFLIOT-UHFFFAOYSA-N 0 3 230.311 3.224 20 30 BGEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000845928993 645387612 /nfs/dbraw/zinc/38/76/12/645387612.db2.gz IWZUFBZZMQFKBV-GXTWGEPZSA-N 0 3 231.339 3.227 20 30 BGEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000845928994 645387666 /nfs/dbraw/zinc/38/76/66/645387666.db2.gz IWZUFBZZMQFKBV-JSGCOSHPSA-N 0 3 231.339 3.227 20 30 BGEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000845928995 645388384 /nfs/dbraw/zinc/38/83/84/645388384.db2.gz IWZUFBZZMQFKBV-OCCSQVGLSA-N 0 3 231.339 3.227 20 30 BGEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000845928996 645387949 /nfs/dbraw/zinc/38/79/49/645387949.db2.gz IWZUFBZZMQFKBV-TZMCWYRMSA-N 0 3 231.339 3.227 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCC(=C)Br)C1 ZINC000845935129 588250711 /nfs/dbraw/zinc/25/07/11/588250711.db2.gz KTWMLZRUJQDVPZ-GHMZBOCLSA-N 0 3 244.176 3.229 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCC(=C)Br)C1 ZINC000845935130 588250848 /nfs/dbraw/zinc/25/08/48/588250848.db2.gz KTWMLZRUJQDVPZ-MNOVXSKESA-N 0 3 244.176 3.229 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCC(=C)Br)C1 ZINC000845935131 588250735 /nfs/dbraw/zinc/25/07/35/588250735.db2.gz KTWMLZRUJQDVPZ-QWRGUYRKSA-N 0 3 244.176 3.229 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCC(=C)Br)C1 ZINC000845935132 588250667 /nfs/dbraw/zinc/25/06/67/588250667.db2.gz KTWMLZRUJQDVPZ-WDEREUQCSA-N 0 3 244.176 3.229 20 30 BGEDHN C=C(Br)CN[C@@H]1CCC[C@@]1(C)CC ZINC000845935830 588250732 /nfs/dbraw/zinc/25/07/32/588250732.db2.gz UKKMEQLDFWSLIM-GHMZBOCLSA-N 0 3 246.192 3.453 20 30 BGEDHN C=C(Br)CN[C@@H]1CCC[C@]1(C)CC ZINC000845935832 588250809 /nfs/dbraw/zinc/25/08/09/588250809.db2.gz UKKMEQLDFWSLIM-MNOVXSKESA-N 0 3 246.192 3.453 20 30 BGEDHN C=C(Br)CN[C@H]1CCC[C@]1(C)CC ZINC000845935834 588250880 /nfs/dbraw/zinc/25/08/80/588250880.db2.gz UKKMEQLDFWSLIM-QWRGUYRKSA-N 0 3 246.192 3.453 20 30 BGEDHN C=C(Br)CN[C@H]1CCC[C@@]1(C)CC ZINC000845935837 588250650 /nfs/dbraw/zinc/25/06/50/588250650.db2.gz UKKMEQLDFWSLIM-WDEREUQCSA-N 0 3 246.192 3.453 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2cccc(F)n2)C1 ZINC000845945498 588251333 /nfs/dbraw/zinc/25/13/33/588251333.db2.gz KUAZZUCPVYUASH-NEPJUHHUSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2cccc(F)n2)C1 ZINC000845945500 588251256 /nfs/dbraw/zinc/25/12/56/588251256.db2.gz KUAZZUCPVYUASH-NWDGAFQWSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2cccc(F)n2)C1 ZINC000845945501 588251128 /nfs/dbraw/zinc/25/11/28/588251128.db2.gz KUAZZUCPVYUASH-RYUDHWBXSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2cccc(F)n2)C1 ZINC000845945503 588251335 /nfs/dbraw/zinc/25/13/35/588251335.db2.gz KUAZZUCPVYUASH-VXGBXAGGSA-N 0 3 234.318 3.055 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCC[C@@]1(C)CC ZINC000845951097 588251393 /nfs/dbraw/zinc/25/13/93/588251393.db2.gz HFTHZOTYLMJHKH-GHMZBOCLSA-N 0 3 201.741 3.297 20 30 BGEDHN C=C(Cl)CN[C@@H]1CCC[C@]1(C)CC ZINC000845951098 588251601 /nfs/dbraw/zinc/25/16/01/588251601.db2.gz HFTHZOTYLMJHKH-MNOVXSKESA-N 0 3 201.741 3.297 20 30 BGEDHN C=C(Cl)CN[C@H]1CCC[C@]1(C)CC ZINC000845951099 588250631 /nfs/dbraw/zinc/25/06/31/588250631.db2.gz HFTHZOTYLMJHKH-QWRGUYRKSA-N 0 3 201.741 3.297 20 30 BGEDHN C=C(Cl)CN[C@H]1CCC[C@@]1(C)CC ZINC000845951100 588250605 /nfs/dbraw/zinc/25/06/05/588250605.db2.gz HFTHZOTYLMJHKH-WDEREUQCSA-N 0 3 201.741 3.297 20 30 BGEDHN CC[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000845961129 588251912 /nfs/dbraw/zinc/25/19/12/588251912.db2.gz VWMIZVKLAWAKKK-CABCVRRESA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000845961132 588251926 /nfs/dbraw/zinc/25/19/26/588251926.db2.gz VWMIZVKLAWAKKK-GJZGRUSLSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@]1(C)CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000845961134 588251941 /nfs/dbraw/zinc/25/19/41/588251941.db2.gz VWMIZVKLAWAKKK-HUUCEWRRSA-N 0 3 243.354 3.012 20 30 BGEDHN CC[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000845961136 588252147 /nfs/dbraw/zinc/25/21/47/588252147.db2.gz VWMIZVKLAWAKKK-LSDHHAIUSA-N 0 3 243.354 3.012 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2cccnc2F)C1 ZINC000845965796 588251901 /nfs/dbraw/zinc/25/19/01/588251901.db2.gz UDBYASILUDVALW-AAEUAGOBSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2cccnc2F)C1 ZINC000845965797 588252062 /nfs/dbraw/zinc/25/20/62/588252062.db2.gz UDBYASILUDVALW-DGCLKSJQSA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2cccnc2F)C1 ZINC000845965798 588251976 /nfs/dbraw/zinc/25/19/76/588251976.db2.gz UDBYASILUDVALW-WCQYABFASA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2cccnc2F)C1 ZINC000845965799 588252060 /nfs/dbraw/zinc/25/20/60/588252060.db2.gz UDBYASILUDVALW-YPMHNXCESA-N 0 3 234.318 3.055 20 30 BGEDHN C=CC[C@@H]1CC[C@H](NCc2coc(CC)n2)C1 ZINC000845975462 588252346 /nfs/dbraw/zinc/25/23/46/588252346.db2.gz IZSCKCLAARERAU-NEPJUHHUSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@H]1CC[C@@H](NCc2coc(CC)n2)C1 ZINC000845975464 588252426 /nfs/dbraw/zinc/25/24/26/588252426.db2.gz IZSCKCLAARERAU-NWDGAFQWSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@H]1CC[C@H](NCc2coc(CC)n2)C1 ZINC000845975466 588252429 /nfs/dbraw/zinc/25/24/29/588252429.db2.gz IZSCKCLAARERAU-RYUDHWBXSA-N 0 3 234.343 3.071 20 30 BGEDHN C=CC[C@@H]1CC[C@@H](NCc2coc(CC)n2)C1 ZINC000845975467 588252367 /nfs/dbraw/zinc/25/23/67/588252367.db2.gz IZSCKCLAARERAU-VXGBXAGGSA-N 0 3 234.343 3.071 20 30 BGEDHN CC(C)[C@H]1CC[C@H]1NCC1(C#N)CCCC1 ZINC000846010731 588253370 /nfs/dbraw/zinc/25/33/70/588253370.db2.gz NYFMKEYUDUPCLM-CHWSQXEVSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@H]1CC[C@@H]1NCC1(C#N)CCCC1 ZINC000846010732 588253528 /nfs/dbraw/zinc/25/35/28/588253528.db2.gz NYFMKEYUDUPCLM-OLZOCXBDSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CC[C@H]1NCC1(C#N)CCCC1 ZINC000846010733 588253404 /nfs/dbraw/zinc/25/34/04/588253404.db2.gz NYFMKEYUDUPCLM-QWHCGFSZSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H]1NCC1(C#N)CCCC1 ZINC000846010734 588253519 /nfs/dbraw/zinc/25/35/19/588253519.db2.gz NYFMKEYUDUPCLM-STQMWFEESA-N 0 3 220.360 3.095 20 30 BGEDHN C[C@]12C[C@H]1CCC[C@H]2NCC1(C#N)CCCC1 ZINC000846011325 588253406 /nfs/dbraw/zinc/25/34/06/588253406.db2.gz SDIRHCNWLIKZEM-MCIONIFRSA-N 0 3 232.371 3.239 20 30 BGEDHN C[C@]12C[C@H]1CCC[C@@H]2NCC1(C#N)CCCC1 ZINC000846011328 588253530 /nfs/dbraw/zinc/25/35/30/588253530.db2.gz SDIRHCNWLIKZEM-RDBSUJKOSA-N 0 3 232.371 3.239 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846151987 588258812 /nfs/dbraw/zinc/25/88/12/588258812.db2.gz KYXWVZAORLEVPR-GHMZBOCLSA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846151988 588258875 /nfs/dbraw/zinc/25/88/75/588258875.db2.gz KYXWVZAORLEVPR-MNOVXSKESA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846151989 588258647 /nfs/dbraw/zinc/25/86/47/588258647.db2.gz KYXWVZAORLEVPR-QWRGUYRKSA-N 0 3 235.327 3.016 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846151990 588258698 /nfs/dbraw/zinc/25/86/98/588258698.db2.gz KYXWVZAORLEVPR-WDEREUQCSA-N 0 3 235.327 3.016 20 30 BGEDHN C=CCCCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846165628 588259118 /nfs/dbraw/zinc/25/91/18/588259118.db2.gz WWBHLTAJCPAPEV-GFCCVEGCSA-N 0 3 249.354 3.408 20 30 BGEDHN C=CCCCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846165629 588259103 /nfs/dbraw/zinc/25/91/03/588259103.db2.gz WWBHLTAJCPAPEV-LBPRGKRZSA-N 0 3 249.354 3.408 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846166664 588258959 /nfs/dbraw/zinc/25/89/59/588258959.db2.gz BWQNIJUNFKKYMR-LLVKDONJSA-N 0 3 235.327 3.018 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846166665 588259090 /nfs/dbraw/zinc/25/90/90/588259090.db2.gz BWQNIJUNFKKYMR-NSHDSACASA-N 0 3 235.327 3.018 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846167019 588258998 /nfs/dbraw/zinc/25/89/98/588258998.db2.gz GFKCRQIWTVVTMN-NEPJUHHUSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846167021 588258990 /nfs/dbraw/zinc/25/89/90/588258990.db2.gz GFKCRQIWTVVTMN-NWDGAFQWSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846167022 588259067 /nfs/dbraw/zinc/25/90/67/588259067.db2.gz GFKCRQIWTVVTMN-RYUDHWBXSA-N 0 3 249.354 3.406 20 30 BGEDHN C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846167024 588259106 /nfs/dbraw/zinc/25/91/06/588259106.db2.gz GFKCRQIWTVVTMN-VXGBXAGGSA-N 0 3 249.354 3.406 20 30 BGEDHN C=C(CC)C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846168222 588258937 /nfs/dbraw/zinc/25/89/37/588258937.db2.gz IRQVJZQBWPYVRJ-LLVKDONJSA-N 0 3 235.327 3.018 20 30 BGEDHN C=C(CC)C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846168223 588258904 /nfs/dbraw/zinc/25/89/04/588258904.db2.gz IRQVJZQBWPYVRJ-NSHDSACASA-N 0 3 235.327 3.018 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846168224 582651559 /nfs/dbraw/zinc/65/15/59/582651559.db2.gz ISUDDQSUGXSAQW-LLVKDONJSA-N 0 3 249.354 3.264 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846168227 582652042 /nfs/dbraw/zinc/65/20/42/582652042.db2.gz ISUDDQSUGXSAQW-NSHDSACASA-N 0 3 249.354 3.264 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846168609 588259041 /nfs/dbraw/zinc/25/90/41/588259041.db2.gz LCANFXINUYFJBI-LLVKDONJSA-N 0 3 235.327 3.018 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846168610 588259009 /nfs/dbraw/zinc/25/90/09/588259009.db2.gz LCANFXINUYFJBI-NSHDSACASA-N 0 3 235.327 3.018 20 30 BGEDHN C=CCCCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846808187 588290009 /nfs/dbraw/zinc/29/00/09/588290009.db2.gz XCFSRGBTUSHFQF-UHFFFAOYSA-N 0 3 242.725 3.272 20 30 BGEDHN C#CCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000846830110 588291563 /nfs/dbraw/zinc/29/15/63/588291563.db2.gz KRQIHOVPUPZAJD-UHFFFAOYSA-N 0 3 243.325 3.328 20 30 BGEDHN CC#CCN(C)Cc1ccccc1C1CC1 ZINC000846928042 588297315 /nfs/dbraw/zinc/29/73/15/588297315.db2.gz YHFGMIJFZKYUCR-UHFFFAOYSA-N 0 3 213.324 3.019 20 30 BGEDHN N#Cc1ccc(CN2CCCCCCCC2)nc1 ZINC000846977794 588299989 /nfs/dbraw/zinc/29/99/89/588299989.db2.gz ZVCMULKCKWMTIT-UHFFFAOYSA-N 0 3 243.354 3.109 20 30 BGEDHN C#C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000847018514 588302096 /nfs/dbraw/zinc/30/20/96/588302096.db2.gz KRNVJTKBLBFLGH-HNNXBMFYSA-N 0 3 244.382 3.196 20 30 BGEDHN C#C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000847018516 588302036 /nfs/dbraw/zinc/30/20/36/588302036.db2.gz KRNVJTKBLBFLGH-OAHLLOKOSA-N 0 3 244.382 3.196 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000847019070 588302099 /nfs/dbraw/zinc/30/20/99/588302099.db2.gz OKSWKVDRRMHYAB-GFCCVEGCSA-N 0 3 249.304 3.469 20 30 BGEDHN C#C[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000847019071 588302285 /nfs/dbraw/zinc/30/22/85/588302285.db2.gz OKSWKVDRRMHYAB-LBPRGKRZSA-N 0 3 249.304 3.469 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000847020311 582674321 /nfs/dbraw/zinc/67/43/21/582674321.db2.gz YDRHZLJZKCZSCG-GFCCVEGCSA-N 0 3 233.742 3.185 20 30 BGEDHN C#C[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000847020312 582674318 /nfs/dbraw/zinc/67/43/18/582674318.db2.gz YDRHZLJZKCZSCG-LBPRGKRZSA-N 0 3 233.742 3.185 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccccc2SC)C1 ZINC000847020342 582674273 /nfs/dbraw/zinc/67/42/73/582674273.db2.gz AWFIVDSPHBIZLZ-CYBMUJFWSA-N 0 3 245.391 3.254 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccccc2SC)C1 ZINC000847020359 582674445 /nfs/dbraw/zinc/67/44/45/582674445.db2.gz AWFIVDSPHBIZLZ-ZDUSSCGKSA-N 0 3 245.391 3.254 20 30 BGEDHN C#C[C@H]1CCCN([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020950 588302511 /nfs/dbraw/zinc/30/25/11/588302511.db2.gz GXEDVXUPXVABBJ-KBPBESRZSA-N 0 3 243.350 3.101 20 30 BGEDHN C#C[C@H]1CCCN([C@H](C)c2cccc(OC)c2)C1 ZINC000847020951 588302520 /nfs/dbraw/zinc/30/25/20/588302520.db2.gz GXEDVXUPXVABBJ-KGLIPLIRSA-N 0 3 243.350 3.101 20 30 BGEDHN C#C[C@@H]1CCCN([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020952 588303009 /nfs/dbraw/zinc/30/30/09/588303009.db2.gz GXEDVXUPXVABBJ-UONOGXRCSA-N 0 3 243.350 3.101 20 30 BGEDHN C#C[C@@H]1CCCN([C@H](C)c2cccc(OC)c2)C1 ZINC000847020953 588302696 /nfs/dbraw/zinc/30/26/96/588302696.db2.gz GXEDVXUPXVABBJ-ZIAGYGMSSA-N 0 3 243.350 3.101 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000847021771 588302920 /nfs/dbraw/zinc/30/29/20/588302920.db2.gz OZKXVBGKEURDSC-GFCCVEGCSA-N 0 3 249.304 3.469 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000847021772 588302625 /nfs/dbraw/zinc/30/26/25/588302625.db2.gz OZKXVBGKEURDSC-LBPRGKRZSA-N 0 3 249.304 3.469 20 30 BGEDHN C#C[C@@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000847022046 588302969 /nfs/dbraw/zinc/30/29/69/588302969.db2.gz ROJMNAQWEMSPCQ-LLVKDONJSA-N 0 3 233.277 3.064 20 30 BGEDHN C#C[C@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000847022047 588302517 /nfs/dbraw/zinc/30/25/17/588302517.db2.gz ROJMNAQWEMSPCQ-NSHDSACASA-N 0 3 233.277 3.064 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccc(CF)cc2)C1 ZINC000847022117 588302811 /nfs/dbraw/zinc/30/28/11/588302811.db2.gz SIVKRXNGIXLNET-CYBMUJFWSA-N 0 3 231.314 3.001 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccc(CF)cc2)C1 ZINC000847022118 588302539 /nfs/dbraw/zinc/30/25/39/588302539.db2.gz SIVKRXNGIXLNET-ZDUSSCGKSA-N 0 3 231.314 3.001 20 30 BGEDHN C#C[C@@H]1CCCN([C@H](C)c2cccc(F)c2)C1 ZINC000847022260 588303279 /nfs/dbraw/zinc/30/32/79/588303279.db2.gz GNEYRTVBMCDBOE-CHWSQXEVSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@H](C)c2cccc(F)c2)C1 ZINC000847022264 588303091 /nfs/dbraw/zinc/30/30/91/588303091.db2.gz GNEYRTVBMCDBOE-OLZOCXBDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@@H]1CCCN([C@@H](C)c2cccc(F)c2)C1 ZINC000847022266 588303403 /nfs/dbraw/zinc/30/34/03/588303403.db2.gz GNEYRTVBMCDBOE-QWHCGFSZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@@H](C)c2cccc(F)c2)C1 ZINC000847022268 588303069 /nfs/dbraw/zinc/30/30/69/588303069.db2.gz GNEYRTVBMCDBOE-STQMWFEESA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@@H]1CCCN([C@H](C)c2ccccc2F)C1 ZINC000847024132 588303504 /nfs/dbraw/zinc/30/35/04/588303504.db2.gz PTLQAPOWXPUDQG-CHWSQXEVSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@H](C)c2ccccc2F)C1 ZINC000847024134 588303777 /nfs/dbraw/zinc/30/37/77/588303777.db2.gz PTLQAPOWXPUDQG-OLZOCXBDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000847024136 588303571 /nfs/dbraw/zinc/30/35/71/588303571.db2.gz PTLQAPOWXPUDQG-QWHCGFSZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@@H](C)c2ccccc2F)C1 ZINC000847024141 711507124 /nfs/dbraw/zinc/50/71/24/711507124.db2.gz PTLQAPOWXPUDQG-STQMWFEESA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000847024664 588303510 /nfs/dbraw/zinc/30/35/10/588303510.db2.gz KBPBYMZYUWVEGM-BLLLJJGKSA-N 0 3 243.325 3.158 20 30 BGEDHN C#C[C@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000847024666 588303856 /nfs/dbraw/zinc/30/38/56/588303856.db2.gz KBPBYMZYUWVEGM-LRDDRELGSA-N 0 3 243.325 3.158 20 30 BGEDHN C#C[C@@H]1CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000847024668 588303782 /nfs/dbraw/zinc/30/37/82/588303782.db2.gz KBPBYMZYUWVEGM-MLGOLLRUSA-N 0 3 243.325 3.158 20 30 BGEDHN C#C[C@@H]1CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000847024670 588303516 /nfs/dbraw/zinc/30/35/16/588303516.db2.gz KBPBYMZYUWVEGM-WBMJQRKESA-N 0 3 243.325 3.158 20 30 BGEDHN C#C[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1 ZINC000847025686 588303495 /nfs/dbraw/zinc/30/34/95/588303495.db2.gz WKBGEAHQMAMGOJ-CHWSQXEVSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1 ZINC000847025689 588303492 /nfs/dbraw/zinc/30/34/92/588303492.db2.gz WKBGEAHQMAMGOJ-OLZOCXBDSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000847025692 588303766 /nfs/dbraw/zinc/30/37/66/588303766.db2.gz WKBGEAHQMAMGOJ-QWHCGFSZSA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000847025695 588303785 /nfs/dbraw/zinc/30/37/85/588303785.db2.gz WKBGEAHQMAMGOJ-STQMWFEESA-N 0 3 231.314 3.232 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000847028588 588304143 /nfs/dbraw/zinc/30/41/43/588304143.db2.gz ZYLPXSMAHNXTDO-CYBMUJFWSA-N 0 3 239.318 3.278 20 30 BGEDHN C#C[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000847028589 588304193 /nfs/dbraw/zinc/30/41/93/588304193.db2.gz ZYLPXSMAHNXTDO-ZDUSSCGKSA-N 0 3 239.318 3.278 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000847032709 588304554 /nfs/dbraw/zinc/30/45/54/588304554.db2.gz YUJBNPYYGCEELG-CYBMUJFWSA-N 0 3 245.391 3.254 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000847032710 588304338 /nfs/dbraw/zinc/30/43/38/588304338.db2.gz YUJBNPYYGCEELG-ZDUSSCGKSA-N 0 3 245.391 3.254 20 30 BGEDHN N#Cc1ccc(C2(NC/C=C\Cl)CCC2)cc1 ZINC000847054294 588305138 /nfs/dbraw/zinc/30/51/38/588305138.db2.gz QIQQGZPPIROHLP-MBXJOHMKSA-N 0 3 246.741 3.280 20 30 BGEDHN N#Cc1ccc(C2(NC/C=C/Cl)CCC2)cc1 ZINC000847054299 588305319 /nfs/dbraw/zinc/30/53/19/588305319.db2.gz QIQQGZPPIROHLP-XNWCZRBMSA-N 0 3 246.741 3.280 20 30 BGEDHN c1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848398894 588377402 /nfs/dbraw/zinc/37/74/02/588377402.db2.gz MFJUCHORQLIYOV-HNNXBMFYSA-N 0 3 243.354 3.103 20 30 BGEDHN c1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848398906 588377428 /nfs/dbraw/zinc/37/74/28/588377428.db2.gz MFJUCHORQLIYOV-OAHLLOKOSA-N 0 3 243.354 3.103 20 30 BGEDHN CC[C@H](C)CON=C1CCCN2CCCC[C@H]12 ZINC000848411211 588380238 /nfs/dbraw/zinc/38/02/38/588380238.db2.gz YHKYTDZIETZTHL-GXTWGEPZSA-N 0 3 238.375 3.053 20 30 BGEDHN CC[C@H](C)CON=C1CCCN2CCCC[C@@H]12 ZINC000848411213 588379923 /nfs/dbraw/zinc/37/99/23/588379923.db2.gz YHKYTDZIETZTHL-JSGCOSHPSA-N 0 3 238.375 3.053 20 30 BGEDHN CC[C@@H](C)CON=C1CCCN2CCCC[C@@H]12 ZINC000848411215 588379823 /nfs/dbraw/zinc/37/98/23/588379823.db2.gz YHKYTDZIETZTHL-OCCSQVGLSA-N 0 3 238.375 3.053 20 30 BGEDHN CC[C@@H](C)CON=C1CCCN2CCCC[C@H]12 ZINC000848411217 588380127 /nfs/dbraw/zinc/38/01/27/588380127.db2.gz YHKYTDZIETZTHL-TZMCWYRMSA-N 0 3 238.375 3.053 20 30 BGEDHN CCCCCCCNCc1cnc(Cl)n1C ZINC000848524870 588392327 /nfs/dbraw/zinc/39/23/27/588392327.db2.gz IUJBIPLTWIRQBP-UHFFFAOYSA-N 0 3 243.782 3.134 20 30 BGEDHN CCCCCCCNCc1cc2n(n1)CCCC2 ZINC000848525752 588392377 /nfs/dbraw/zinc/39/23/77/588392377.db2.gz RCHCDNALJWNNRR-UHFFFAOYSA-N 0 3 249.402 3.279 20 30 BGEDHN CCCCCCCN[C@@H]1CCCn2ccnc21 ZINC000848537329 588394497 /nfs/dbraw/zinc/39/44/97/588394497.db2.gz DZDGXFAFZZNNMG-CYBMUJFWSA-N 0 3 235.375 3.278 20 30 BGEDHN CCCCCCCN[C@H]1CCCn2ccnc21 ZINC000848537330 588394483 /nfs/dbraw/zinc/39/44/83/588394483.db2.gz DZDGXFAFZZNNMG-ZDUSSCGKSA-N 0 3 235.375 3.278 20 30 BGEDHN CC(C)c1ccccc1CNCCCC#N ZINC000848546741 588395237 /nfs/dbraw/zinc/39/52/37/588395237.db2.gz CUYNLLMVKCYSLH-UHFFFAOYSA-N 0 3 216.328 3.203 20 30 BGEDHN C=CCOCCNCc1ccccc1C(C)C ZINC000848548355 588395513 /nfs/dbraw/zinc/39/55/13/588395513.db2.gz VVYYUPRIAGENLM-UHFFFAOYSA-N 0 3 233.355 3.102 20 30 BGEDHN C=CCCCCCCN[C@H]1CCCn2ccnc21 ZINC000848550535 588395550 /nfs/dbraw/zinc/39/55/50/588395550.db2.gz PVHBCAWBZNSETA-AWEZNQCLSA-N 0 3 247.386 3.444 20 30 BGEDHN C=CCCCCCCN[C@@H]1CCCn2ccnc21 ZINC000848550536 588395664 /nfs/dbraw/zinc/39/56/64/588395664.db2.gz PVHBCAWBZNSETA-CQSZACIVSA-N 0 3 247.386 3.444 20 30 BGEDHN C=CCCCCC[NH2+]Cc1c([O-])cccc1OC ZINC000848562924 588397898 /nfs/dbraw/zinc/39/78/98/588397898.db2.gz MLXVWCNBFHNYHR-UHFFFAOYSA-N 0 3 249.354 3.237 20 30 BGEDHN C=CCCCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000848563319 588397535 /nfs/dbraw/zinc/39/75/35/588397535.db2.gz RKHPAWMIZRKSBF-UHFFFAOYSA-N 0 3 249.354 3.237 20 30 BGEDHN C#C[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000848751366 588411829 /nfs/dbraw/zinc/41/18/29/588411829.db2.gz XVMRMVPUPCYLKF-CYBMUJFWSA-N 0 3 236.318 3.084 20 30 BGEDHN C#C[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000848751367 588411640 /nfs/dbraw/zinc/41/16/40/588411640.db2.gz XVMRMVPUPCYLKF-ZDUSSCGKSA-N 0 3 236.318 3.084 20 30 BGEDHN C=C(C)C[N@H+](CC)Cc1cccc(CC)c1[O-] ZINC000848876380 588416226 /nfs/dbraw/zinc/41/62/26/588416226.db2.gz HXZDKOXSGIUVLW-UHFFFAOYSA-N 0 3 233.355 3.353 20 30 BGEDHN C=C(C)C[N@@H+](CC)Cc1cccc(CC)c1[O-] ZINC000848876380 588416225 /nfs/dbraw/zinc/41/62/25/588416225.db2.gz HXZDKOXSGIUVLW-UHFFFAOYSA-N 0 3 233.355 3.353 20 30 BGEDHN C=CCN(CC=C)Cc1cccc(CC)c1O ZINC000848878008 588416152 /nfs/dbraw/zinc/41/61/52/588416152.db2.gz XBPBEPDTEJEKTN-UHFFFAOYSA-N 0 3 231.339 3.129 20 30 BGEDHN C=CC[N@H+](Cc1cccc(CC)c1[O-])C(C)C ZINC000848882694 588416345 /nfs/dbraw/zinc/41/63/45/588416345.db2.gz YEQOQPNDCOONAS-UHFFFAOYSA-N 0 3 233.355 3.351 20 30 BGEDHN C=CC[N@@H+](Cc1cccc(CC)c1[O-])C(C)C ZINC000848882694 588416344 /nfs/dbraw/zinc/41/63/44/588416344.db2.gz YEQOQPNDCOONAS-UHFFFAOYSA-N 0 3 233.355 3.351 20 30 BGEDHN C=CC1CC[NH+](Cc2cccc(CC)c2[O-])CC1 ZINC000848885035 588416925 /nfs/dbraw/zinc/41/69/25/588416925.db2.gz QHHCWJDKSIVLBU-UHFFFAOYSA-N 0 3 245.366 3.353 20 30 BGEDHN C=C1CC[NH+](Cc2cccc(CC)c2[O-])CC1 ZINC000848886601 588416613 /nfs/dbraw/zinc/41/66/13/588416613.db2.gz UTXRCQGUZMMFJE-UHFFFAOYSA-N 0 3 231.339 3.107 20 30 BGEDHN C=CCCC[N@H+](C)Cc1cccc(CC)c1[O-] ZINC000848887903 588418049 /nfs/dbraw/zinc/41/80/49/588418049.db2.gz HRNNLDDLBQBZGL-UHFFFAOYSA-N 0 3 233.355 3.353 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1cccc(CC)c1[O-] ZINC000848887903 588418048 /nfs/dbraw/zinc/41/80/48/588418048.db2.gz HRNNLDDLBQBZGL-UHFFFAOYSA-N 0 3 233.355 3.353 20 30 BGEDHN C=CC[N@H+](Cc1cccc(CC)c1[O-])C1CC1 ZINC000848902030 588418859 /nfs/dbraw/zinc/41/88/59/588418859.db2.gz IXSFZVQJVXZHSS-UHFFFAOYSA-N 0 3 231.339 3.105 20 30 BGEDHN C=CC[N@@H+](Cc1cccc(CC)c1[O-])C1CC1 ZINC000848902030 588418858 /nfs/dbraw/zinc/41/88/58/588418858.db2.gz IXSFZVQJVXZHSS-UHFFFAOYSA-N 0 3 231.339 3.105 20 30 BGEDHN CC(C)(C#N)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000848914951 582814940 /nfs/dbraw/zinc/81/49/40/582814940.db2.gz VVGTUMCGGVFTSX-UHFFFAOYSA-N 0 3 240.350 3.084 20 30 BGEDHN C=CCCCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000848923119 588421425 /nfs/dbraw/zinc/42/14/25/588421425.db2.gz GLHSGKUFCUQMMM-UHFFFAOYSA-N 0 3 249.354 3.237 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000848923203 588421432 /nfs/dbraw/zinc/42/14/32/588421432.db2.gz BHUNYGNUIZYYGX-CYBMUJFWSA-N 0 3 238.334 3.013 20 30 BGEDHN C#C[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000848923204 588421319 /nfs/dbraw/zinc/42/13/19/588421319.db2.gz BHUNYGNUIZYYGX-ZDUSSCGKSA-N 0 3 238.334 3.013 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccc(CC)s2)C1 ZINC000848923227 588421420 /nfs/dbraw/zinc/42/14/20/588421420.db2.gz BOYOCNVQTIZFNC-GFCCVEGCSA-N 0 3 233.380 3.156 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccc(CC)s2)C1 ZINC000848923228 588421417 /nfs/dbraw/zinc/42/14/17/588421417.db2.gz BOYOCNVQTIZFNC-LBPRGKRZSA-N 0 3 233.380 3.156 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000848923232 588421198 /nfs/dbraw/zinc/42/11/98/588421198.db2.gz BSHPNCPMYUXQII-CYBMUJFWSA-N 0 3 239.318 3.278 20 30 BGEDHN C#C[C@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000848923239 588421215 /nfs/dbraw/zinc/42/12/15/588421215.db2.gz BSHPNCPMYUXQII-ZDUSSCGKSA-N 0 3 239.318 3.278 20 30 BGEDHN C=CCCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000848923467 588421402 /nfs/dbraw/zinc/42/14/02/588421402.db2.gz KZCWMRRELKWDHB-UHFFFAOYSA-N 0 3 237.318 3.367 20 30 BGEDHN C=CCCCCCNCc1cc(F)ncc1F ZINC000848923725 712610295 /nfs/dbraw/zinc/61/02/95/712610295.db2.gz PJALUTHICKQBDI-UHFFFAOYSA-N 0 3 240.297 3.196 20 30 BGEDHN CCCCCCCNCc1ccnn1CC1CC1 ZINC000850012971 588514221 /nfs/dbraw/zinc/51/42/21/588514221.db2.gz UOWUUTNUIDBHES-UHFFFAOYSA-N 0 3 249.402 3.353 20 30 BGEDHN CCCCCCCCNCc1cc2n(n1)CCC2 ZINC000850013146 588514255 /nfs/dbraw/zinc/51/42/55/588514255.db2.gz XKYXQEZQJYLFCM-UHFFFAOYSA-N 0 3 249.402 3.279 20 30 BGEDHN C=CCCCCCCCNCc1nc(C)c[nH]1 ZINC000850300874 588535604 /nfs/dbraw/zinc/53/56/04/588535604.db2.gz CEYVXLXLYUFMPQ-UHFFFAOYSA-N 0 3 235.375 3.334 20 30 BGEDHN C=CCCC1(CNCc2cn(C)cn2)CCCC1 ZINC000850352272 588538016 /nfs/dbraw/zinc/53/80/16/588538016.db2.gz QSROCORWRGYYGJ-UHFFFAOYSA-N 0 3 247.386 3.036 20 30 BGEDHN C=CCCNCc1ccnc(Cl)c1Cl ZINC000850354382 588538533 /nfs/dbraw/zinc/53/85/33/588538533.db2.gz FJVGPIJHLGWXNW-UHFFFAOYSA-N 0 3 231.126 3.054 20 30 BGEDHN C=CCCSCCNCc1cc(C)oc1C ZINC000850354397 588538511 /nfs/dbraw/zinc/53/85/11/588538511.db2.gz GCWUWHBXTYVFAU-UHFFFAOYSA-N 0 3 239.384 3.295 20 30 BGEDHN C#CCOc1cccc(Cl)c1CNCCC=C ZINC000850354722 588538892 /nfs/dbraw/zinc/53/88/92/588538892.db2.gz VYXCXBSQHSTGQL-UHFFFAOYSA-N 0 3 249.741 3.018 20 30 BGEDHN C=CCOc1cccc(CN[C@H]2C=CCC2)c1 ZINC000850358492 588539342 /nfs/dbraw/zinc/53/93/42/588539342.db2.gz QNZPRRBWUHSRCN-AWEZNQCLSA-N 0 3 229.323 3.060 20 30 BGEDHN C=CCOc1cccc(CN[C@@H]2C=CCC2)c1 ZINC000850358493 588539435 /nfs/dbraw/zinc/53/94/35/588539435.db2.gz QNZPRRBWUHSRCN-CQSZACIVSA-N 0 3 229.323 3.060 20 30 BGEDHN N#CC1(c2ccc(CN[C@H]3C=CCC3)cc2)CC1 ZINC000850359547 588539649 /nfs/dbraw/zinc/53/96/49/588539649.db2.gz KHUYPTINBXNSOP-HNNXBMFYSA-N 0 3 238.334 3.050 20 30 BGEDHN N#CC1(c2ccc(CN[C@@H]3C=CCC3)cc2)CC1 ZINC000850359548 588539747 /nfs/dbraw/zinc/53/97/47/588539747.db2.gz KHUYPTINBXNSOP-OAHLLOKOSA-N 0 3 238.334 3.050 20 30 BGEDHN CC(C)(C#N)c1ccc(CN[C@H]2C=CCC2)cc1 ZINC000850359610 588540117 /nfs/dbraw/zinc/54/01/17/588540117.db2.gz MDAIXRXDSXRGQE-HNNXBMFYSA-N 0 3 240.350 3.296 20 30 BGEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C=CCC2)cc1 ZINC000850359611 588540143 /nfs/dbraw/zinc/54/01/43/588540143.db2.gz MDAIXRXDSXRGQE-OAHLLOKOSA-N 0 3 240.350 3.296 20 30 BGEDHN C#Cc1ccc(CNC[C@@H]2C(C)(C)C2(F)F)cc1 ZINC000850393480 588543970 /nfs/dbraw/zinc/54/39/70/588543970.db2.gz CRXOISCPWPBPCM-CYBMUJFWSA-N 0 3 249.304 3.049 20 30 BGEDHN C#Cc1ccc(CNC[C@H]2C(C)(C)C2(F)F)cc1 ZINC000850393484 588543753 /nfs/dbraw/zinc/54/37/53/588543753.db2.gz CRXOISCPWPBPCM-ZDUSSCGKSA-N 0 3 249.304 3.049 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850440637 588546444 /nfs/dbraw/zinc/54/64/44/588546444.db2.gz AKBYHALZEWSSOJ-NEPJUHHUSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850440638 588547230 /nfs/dbraw/zinc/54/72/30/588547230.db2.gz AKBYHALZEWSSOJ-NWDGAFQWSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850440639 588547188 /nfs/dbraw/zinc/54/71/88/588547188.db2.gz AKBYHALZEWSSOJ-RYUDHWBXSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850440640 588546921 /nfs/dbraw/zinc/54/69/21/588546921.db2.gz AKBYHALZEWSSOJ-VXGBXAGGSA-N 0 3 231.339 3.237 20 30 BGEDHN C=C(Cl)CN[C@H](C)C(C)(C)C(F)F ZINC000850442126 588546887 /nfs/dbraw/zinc/54/68/87/588546887.db2.gz BJVWVDJFVIARDS-SSDOTTSWSA-N 0 3 211.683 3.008 20 30 BGEDHN C=C(Cl)CN[C@@H](C)C(C)(C)C(F)F ZINC000850442127 588547041 /nfs/dbraw/zinc/54/70/41/588547041.db2.gz BJVWVDJFVIARDS-ZETCQYMHSA-N 0 3 211.683 3.008 20 30 BGEDHN C=C(Cl)CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850442737 588546925 /nfs/dbraw/zinc/54/69/25/588546925.db2.gz HDFUOSBRCONDOP-OUAUKWLOSA-N 0 3 213.752 3.153 20 30 BGEDHN C=C(Cl)CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850442738 588547001 /nfs/dbraw/zinc/54/70/01/588547001.db2.gz HDFUOSBRCONDOP-VWYCJHECSA-N 0 3 213.752 3.153 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850462530 588548500 /nfs/dbraw/zinc/54/85/00/588548500.db2.gz CTLQRTGJUYIUHY-GFCCVEGCSA-N 0 3 231.339 3.238 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850462532 588548655 /nfs/dbraw/zinc/54/86/55/588548655.db2.gz CTLQRTGJUYIUHY-LBPRGKRZSA-N 0 3 231.339 3.238 20 30 BGEDHN C=C(C)CN[C@@H](C)c1cc2cnccc2o1 ZINC000850464760 588548624 /nfs/dbraw/zinc/54/86/24/588548624.db2.gz XHYXPWVRCSSTQM-JTQLQIEISA-N 0 3 216.284 3.055 20 30 BGEDHN C=C(C)CN[C@H](C)c1cc2cnccc2o1 ZINC000850464761 588547885 /nfs/dbraw/zinc/54/78/85/588547885.db2.gz XHYXPWVRCSSTQM-SNVBAGLBSA-N 0 3 216.284 3.055 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1cccnc1F ZINC000850467671 588548389 /nfs/dbraw/zinc/54/83/89/588548389.db2.gz ZQDHCUWZRUVAGG-GXTWGEPZSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cccnc1F ZINC000850467672 588548288 /nfs/dbraw/zinc/54/82/88/588548288.db2.gz ZQDHCUWZRUVAGG-JSGCOSHPSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cccnc1F ZINC000850467673 588548435 /nfs/dbraw/zinc/54/84/35/588548435.db2.gz ZQDHCUWZRUVAGG-OCCSQVGLSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cccnc1F ZINC000850467674 588548690 /nfs/dbraw/zinc/54/86/90/588548690.db2.gz ZQDHCUWZRUVAGG-TZMCWYRMSA-N 0 3 248.345 3.445 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCc1coc(CC)n1 ZINC000850472513 588548811 /nfs/dbraw/zinc/54/88/11/588548811.db2.gz IYKDCCHWSHQLFJ-GXTWGEPZSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCc1coc(CC)n1 ZINC000850472514 588549021 /nfs/dbraw/zinc/54/90/21/588549021.db2.gz IYKDCCHWSHQLFJ-JSGCOSHPSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1coc(CC)n1 ZINC000850472515 588548828 /nfs/dbraw/zinc/54/88/28/588548828.db2.gz IYKDCCHWSHQLFJ-OCCSQVGLSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCc1coc(CC)n1 ZINC000850472516 588548965 /nfs/dbraw/zinc/54/89/65/588548965.db2.gz IYKDCCHWSHQLFJ-TZMCWYRMSA-N 0 3 248.370 3.462 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000850482824 588551482 /nfs/dbraw/zinc/55/14/82/588551482.db2.gz RWEYZYVMOUMTBC-JHJVBQTASA-N 0 3 233.359 3.195 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000850482825 588551401 /nfs/dbraw/zinc/55/14/01/588551401.db2.gz RWEYZYVMOUMTBC-UPJWGTAASA-N 0 3 233.359 3.195 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000850482826 588551434 /nfs/dbraw/zinc/55/14/34/588551434.db2.gz RWEYZYVMOUMTBC-XQQFMLRXSA-N 0 3 233.359 3.195 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000850482827 588551328 /nfs/dbraw/zinc/55/13/28/588551328.db2.gz RWEYZYVMOUMTBC-YNEHKIRRSA-N 0 3 233.359 3.195 20 30 BGEDHN C=CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000850501374 588552189 /nfs/dbraw/zinc/55/21/89/588552189.db2.gz BJSPVMPMFUJKDZ-GFCCVEGCSA-N 0 3 219.328 3.236 20 30 BGEDHN C=CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000850501375 588552378 /nfs/dbraw/zinc/55/23/78/588552378.db2.gz BJSPVMPMFUJKDZ-LBPRGKRZSA-N 0 3 219.328 3.236 20 30 BGEDHN C=CCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000850501772 588552937 /nfs/dbraw/zinc/55/29/37/588552937.db2.gz GDNQSYKXUMDEHX-GFCCVEGCSA-N 0 3 245.366 3.498 20 30 BGEDHN C=CCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000850501773 588552895 /nfs/dbraw/zinc/55/28/95/588552895.db2.gz GDNQSYKXUMDEHX-LBPRGKRZSA-N 0 3 245.366 3.498 20 30 BGEDHN C=CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000850502078 588552783 /nfs/dbraw/zinc/55/27/83/588552783.db2.gz KAMFUDRJALVBCU-GFCCVEGCSA-N 0 3 219.328 3.236 20 30 BGEDHN C=CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000850502079 588552772 /nfs/dbraw/zinc/55/27/72/588552772.db2.gz KAMFUDRJALVBCU-LBPRGKRZSA-N 0 3 219.328 3.236 20 30 BGEDHN C=CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850502328 588552871 /nfs/dbraw/zinc/55/28/71/588552871.db2.gz ONQFAHAGJOTZJJ-GXSJLCMTSA-N 0 3 235.302 3.245 20 30 BGEDHN C=CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850502329 588552867 /nfs/dbraw/zinc/55/28/67/588552867.db2.gz ONQFAHAGJOTZJJ-KOLCDFICSA-N 0 3 235.302 3.245 20 30 BGEDHN C=CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850502330 588552552 /nfs/dbraw/zinc/55/25/52/588552552.db2.gz ONQFAHAGJOTZJJ-MWLCHTKSSA-N 0 3 235.302 3.245 20 30 BGEDHN C=CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850502331 588552932 /nfs/dbraw/zinc/55/29/32/588552932.db2.gz ONQFAHAGJOTZJJ-ONGXEEELSA-N 0 3 235.302 3.245 20 30 BGEDHN C=CCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000850502486 588552735 /nfs/dbraw/zinc/55/27/35/588552735.db2.gz QWBBUHJRJCWIFN-CYBMUJFWSA-N 0 3 219.328 3.317 20 30 BGEDHN C=CCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000850502487 588552965 /nfs/dbraw/zinc/55/29/65/588552965.db2.gz QWBBUHJRJCWIFN-ZDUSSCGKSA-N 0 3 219.328 3.317 20 30 BGEDHN C[C@H](N[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506389 588553624 /nfs/dbraw/zinc/55/36/24/588553624.db2.gz AIDWOMQQEAYYQX-CMPLNLGQSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506390 588553165 /nfs/dbraw/zinc/55/31/65/588553165.db2.gz AIDWOMQQEAYYQX-JQWIXIFHSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506391 588553362 /nfs/dbraw/zinc/55/33/62/588553362.db2.gz AIDWOMQQEAYYQX-PWSUYJOCSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506392 588553592 /nfs/dbraw/zinc/55/35/92/588553592.db2.gz AIDWOMQQEAYYQX-ZYHUDNBSSA-N 0 3 230.286 3.067 20 30 BGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C=CCC1 ZINC000850507224 588553411 /nfs/dbraw/zinc/55/34/11/588553411.db2.gz DSWGXQPGMUTTKO-GDBMZVCRSA-N 0 3 238.334 3.244 20 30 BGEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1C=CCC1 ZINC000850507228 588553475 /nfs/dbraw/zinc/55/34/75/588553475.db2.gz DSWGXQPGMUTTKO-GOEBONIOSA-N 0 3 238.334 3.244 20 30 BGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C=CCC1 ZINC000850507231 588553488 /nfs/dbraw/zinc/55/34/88/588553488.db2.gz DSWGXQPGMUTTKO-HOCLYGCPSA-N 0 3 238.334 3.244 20 30 BGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850507232 588553294 /nfs/dbraw/zinc/55/32/94/588553294.db2.gz DSWGXQPGMUTTKO-ZBFHGGJFSA-N 0 3 238.334 3.244 20 30 BGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C=CCC2)cc1 ZINC000850508895 588553943 /nfs/dbraw/zinc/55/39/43/588553943.db2.gz LARGJKAQVPZZIY-DZGCQCFKSA-N 0 3 241.334 3.068 20 30 BGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2C=CCC2)cc1 ZINC000850508896 588554170 /nfs/dbraw/zinc/55/41/70/588554170.db2.gz LARGJKAQVPZZIY-HIFRSBDPSA-N 0 3 241.334 3.068 20 30 BGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2C=CCC2)cc1 ZINC000850508897 588553909 /nfs/dbraw/zinc/55/39/09/588553909.db2.gz LARGJKAQVPZZIY-UKRRQHHQSA-N 0 3 241.334 3.068 20 30 BGEDHN C#CCOc1ccc([C@H](C)N[C@H]2C=CCC2)cc1 ZINC000850508898 588553848 /nfs/dbraw/zinc/55/38/48/588553848.db2.gz LARGJKAQVPZZIY-ZFWWWQNUSA-N 0 3 241.334 3.068 20 30 BGEDHN C[C@H](N[C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510683 588555505 /nfs/dbraw/zinc/55/55/05/588555505.db2.gz WKAXIXUDUABHDT-GWCFXTLKSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@H](N[C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510684 588555351 /nfs/dbraw/zinc/55/53/51/588555351.db2.gz WKAXIXUDUABHDT-GXFFZTMASA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@H](N[C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510685 588555221 /nfs/dbraw/zinc/55/52/21/588555221.db2.gz WKAXIXUDUABHDT-MFKMUULPSA-N 0 3 230.286 3.067 20 30 BGEDHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510686 588555578 /nfs/dbraw/zinc/55/55/78/588555578.db2.gz WKAXIXUDUABHDT-ZWNOBZJWSA-N 0 3 230.286 3.067 20 30 BGEDHN CC[C@H](N[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510931 588555135 /nfs/dbraw/zinc/55/51/35/588555135.db2.gz YBHBQAQYFIGLMV-CABCVRRESA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510932 588555266 /nfs/dbraw/zinc/55/52/66/588555266.db2.gz YBHBQAQYFIGLMV-GJZGRUSLSA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@@H](N[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510933 588555582 /nfs/dbraw/zinc/55/55/82/588555582.db2.gz YBHBQAQYFIGLMV-HUUCEWRRSA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@@H](N[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510934 588555546 /nfs/dbraw/zinc/55/55/46/588555546.db2.gz YBHBQAQYFIGLMV-LSDHHAIUSA-N 0 3 226.323 3.318 20 30 BGEDHN CC(C)[C@@H]1CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000850549688 588559763 /nfs/dbraw/zinc/55/97/63/588559763.db2.gz JURVXCJREWGIFV-KBPBESRZSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@H]1CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000850549689 588559890 /nfs/dbraw/zinc/55/98/90/588559890.db2.gz JURVXCJREWGIFV-KGLIPLIRSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@@H]1CC[C@H]1NCC1(C#N)CCCCC1 ZINC000850549690 588559728 /nfs/dbraw/zinc/55/97/28/588559728.db2.gz JURVXCJREWGIFV-UONOGXRCSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)[C@H]1CC[C@H]1NCC1(C#N)CCCCC1 ZINC000850549691 588559829 /nfs/dbraw/zinc/55/98/29/588559829.db2.gz JURVXCJREWGIFV-ZIAGYGMSSA-N 0 3 234.387 3.485 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000850551604 588559744 /nfs/dbraw/zinc/55/97/44/588559744.db2.gz UPPRMSPKCHWAFW-KBPBESRZSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000850551607 588559802 /nfs/dbraw/zinc/55/98/02/588559802.db2.gz UPPRMSPKCHWAFW-KGLIPLIRSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000850551609 588559535 /nfs/dbraw/zinc/55/95/35/588559535.db2.gz UPPRMSPKCHWAFW-UONOGXRCSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000850551610 588559750 /nfs/dbraw/zinc/55/97/50/588559750.db2.gz UPPRMSPKCHWAFW-ZIAGYGMSSA-N 0 3 232.371 3.239 20 30 BGEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1ccccn1 ZINC000850756788 588565247 /nfs/dbraw/zinc/56/52/47/588565247.db2.gz UHKGXFURDDQZJL-BXUZGUMPSA-N 0 3 248.301 3.176 20 30 BGEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1ccccn1 ZINC000850756792 588565422 /nfs/dbraw/zinc/56/54/22/588565422.db2.gz UHKGXFURDDQZJL-FZMZJTMJSA-N 0 3 248.301 3.176 20 30 BGEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1ccccn1 ZINC000850756793 588565358 /nfs/dbraw/zinc/56/53/58/588565358.db2.gz UHKGXFURDDQZJL-RISCZKNCSA-N 0 3 248.301 3.176 20 30 BGEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1ccccn1 ZINC000850756795 588565213 /nfs/dbraw/zinc/56/52/13/588565213.db2.gz UHKGXFURDDQZJL-SMDDNHRTSA-N 0 3 248.301 3.176 20 30 BGEDHN C=CCN(Cc1cnc2ccccc2n1)C(C)C ZINC000851730281 588619163 /nfs/dbraw/zinc/61/91/63/588619163.db2.gz AXODNRURBVFWGQ-UHFFFAOYSA-N 0 3 241.338 3.026 20 30 BGEDHN C=CCCCCCN(C)Cc1cccc(F)n1 ZINC000851780316 588627331 /nfs/dbraw/zinc/62/73/31/588627331.db2.gz GUCRTJLMRHWGSF-UHFFFAOYSA-N 0 3 236.334 3.399 20 30 BGEDHN C#CC(C)(C)N(C)Cc1cccc(SC)c1 ZINC000851986356 588651744 /nfs/dbraw/zinc/65/17/44/588651744.db2.gz JBRPMXZSLJUNJO-UHFFFAOYSA-N 0 3 233.380 3.252 20 30 BGEDHN CCCCCCCCN1CCn2cncc2C1 ZINC000852060437 588658661 /nfs/dbraw/zinc/65/86/61/588658661.db2.gz FLJJQYMJLIHYME-UHFFFAOYSA-N 0 3 235.375 3.059 20 30 BGEDHN CCCCCCCCCN1CCn2cncc2C1 ZINC000852066347 588658807 /nfs/dbraw/zinc/65/88/07/588658807.db2.gz PWWGFVRRAFTGDM-UHFFFAOYSA-N 0 3 249.402 3.449 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098374 588662539 /nfs/dbraw/zinc/66/25/39/588662539.db2.gz LGEFYPKKNSTZEK-BXUZGUMPSA-N 0 3 246.310 3.047 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098375 588662490 /nfs/dbraw/zinc/66/24/90/588662490.db2.gz LGEFYPKKNSTZEK-FZMZJTMJSA-N 0 3 246.310 3.047 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098376 588662140 /nfs/dbraw/zinc/66/21/40/588662140.db2.gz LGEFYPKKNSTZEK-RISCZKNCSA-N 0 3 246.310 3.047 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098377 588662232 /nfs/dbraw/zinc/66/22/32/588662232.db2.gz LGEFYPKKNSTZEK-SMDDNHRTSA-N 0 3 246.310 3.047 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1ccc(F)cc1 ZINC000852098546 588662381 /nfs/dbraw/zinc/66/23/81/588662381.db2.gz PZKFUYCQZFTTAC-BXUZGUMPSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1ccc(F)cc1 ZINC000852098547 588662299 /nfs/dbraw/zinc/66/22/99/588662299.db2.gz PZKFUYCQZFTTAC-FZMZJTMJSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1ccc(F)cc1 ZINC000852098548 583000468 /nfs/dbraw/zinc/00/04/68/583000468.db2.gz PZKFUYCQZFTTAC-RISCZKNCSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1ccc(F)cc1 ZINC000852098549 583000523 /nfs/dbraw/zinc/00/05/23/583000523.db2.gz PZKFUYCQZFTTAC-SMDDNHRTSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1cccc(F)c1 ZINC000852099577 588662668 /nfs/dbraw/zinc/66/26/68/588662668.db2.gz MYYYWTSNRAYKER-BXUZGUMPSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1cccc(F)c1 ZINC000852099578 588662674 /nfs/dbraw/zinc/66/26/74/588662674.db2.gz MYYYWTSNRAYKER-FZMZJTMJSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1cccc(F)c1 ZINC000852099579 588662918 /nfs/dbraw/zinc/66/29/18/588662918.db2.gz MYYYWTSNRAYKER-RISCZKNCSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1cccc(F)c1 ZINC000852099580 588662850 /nfs/dbraw/zinc/66/28/50/588662850.db2.gz MYYYWTSNRAYKER-SMDDNHRTSA-N 0 3 219.303 3.278 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000852100643 588662852 /nfs/dbraw/zinc/66/28/52/588662852.db2.gz YZOUNPMMWQGXRL-HZMBPMFUSA-N 0 3 237.293 3.417 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000852100644 588662563 /nfs/dbraw/zinc/66/25/63/588662563.db2.gz YZOUNPMMWQGXRL-IINYFYTJSA-N 0 3 237.293 3.417 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1ccc(F)c(F)c1 ZINC000852100646 588662723 /nfs/dbraw/zinc/66/27/23/588662723.db2.gz YZOUNPMMWQGXRL-QMTHXVAHSA-N 0 3 237.293 3.417 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1ccc(F)c(F)c1 ZINC000852100648 588663163 /nfs/dbraw/zinc/66/31/63/588663163.db2.gz YZOUNPMMWQGXRL-YGRLFVJLSA-N 0 3 237.293 3.417 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](CCOC)c1ccccc1 ZINC000852100802 588663242 /nfs/dbraw/zinc/66/32/42/588663242.db2.gz JFIGQEUSGKNSEL-CVEARBPZSA-N 0 3 245.366 3.156 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](CCOC)c1ccccc1 ZINC000852100803 588663176 /nfs/dbraw/zinc/66/31/76/588663176.db2.gz JFIGQEUSGKNSEL-HOTGVXAUSA-N 0 3 245.366 3.156 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](CCOC)c1ccccc1 ZINC000852100804 588663234 /nfs/dbraw/zinc/66/32/34/588663234.db2.gz JFIGQEUSGKNSEL-HZPDHXFCSA-N 0 3 245.366 3.156 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](CCOC)c1ccccc1 ZINC000852100805 588663104 /nfs/dbraw/zinc/66/31/04/588663104.db2.gz JFIGQEUSGKNSEL-JKSUJKDBSA-N 0 3 245.366 3.156 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccc(CF)cc1 ZINC000852101111 588663140 /nfs/dbraw/zinc/66/31/40/588663140.db2.gz MFAMUCOSRKJETI-AWEZNQCLSA-N 0 3 219.303 3.048 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccc(CF)cc1 ZINC000852101112 588663002 /nfs/dbraw/zinc/66/30/02/588663002.db2.gz MFAMUCOSRKJETI-CQSZACIVSA-N 0 3 219.303 3.048 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1ccc(C#N)cc1 ZINC000852101396 588662938 /nfs/dbraw/zinc/66/29/38/588662938.db2.gz DRWLJXKSHHRJQA-DOMZBBRYSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1ccc(C#N)cc1 ZINC000852101398 588663199 /nfs/dbraw/zinc/66/31/99/588663199.db2.gz DRWLJXKSHHRJQA-IUODEOHRSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000852101399 588663245 /nfs/dbraw/zinc/66/32/45/588663245.db2.gz DRWLJXKSHHRJQA-SWLSCSKDSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000852101401 588663114 /nfs/dbraw/zinc/66/31/14/588663114.db2.gz DRWLJXKSHHRJQA-WFASDCNBSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccccc1SC ZINC000852101819 588663271 /nfs/dbraw/zinc/66/32/71/588663271.db2.gz UMIHPRUZNSVNBI-AWEZNQCLSA-N 0 3 233.380 3.300 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccccc1SC ZINC000852101820 588663099 /nfs/dbraw/zinc/66/30/99/588663099.db2.gz UMIHPRUZNSVNBI-CQSZACIVSA-N 0 3 233.380 3.300 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1cccc(OC)c1 ZINC000852102814 588663398 /nfs/dbraw/zinc/66/33/98/588663398.db2.gz QQYBTRWDSURSRX-DOMZBBRYSA-N 0 3 231.339 3.148 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1cccc(OC)c1 ZINC000852102815 588663437 /nfs/dbraw/zinc/66/34/37/588663437.db2.gz QQYBTRWDSURSRX-IUODEOHRSA-N 0 3 231.339 3.148 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1cccc(OC)c1 ZINC000852102816 588663390 /nfs/dbraw/zinc/66/33/90/588663390.db2.gz QQYBTRWDSURSRX-SWLSCSKDSA-N 0 3 231.339 3.148 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1cccc(OC)c1 ZINC000852102817 588663367 /nfs/dbraw/zinc/66/33/67/588663367.db2.gz QQYBTRWDSURSRX-WFASDCNBSA-N 0 3 231.339 3.148 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H]1CCc2ccc(F)cc21 ZINC000852102938 588663486 /nfs/dbraw/zinc/66/34/86/588663486.db2.gz UEZPHDIGCDKDBD-CABCVRRESA-N 0 3 231.314 3.205 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H]1CCc2ccc(F)cc21 ZINC000852102939 588663417 /nfs/dbraw/zinc/66/34/17/588663417.db2.gz UEZPHDIGCDKDBD-GJZGRUSLSA-N 0 3 231.314 3.205 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H]1CCc2ccc(F)cc21 ZINC000852102940 588663369 /nfs/dbraw/zinc/66/33/69/588663369.db2.gz UEZPHDIGCDKDBD-HUUCEWRRSA-N 0 3 231.314 3.205 20 30 BGEDHN C#C[C@](C)(CC)N[C@H]1CCc2ccc(F)cc21 ZINC000852102941 588663454 /nfs/dbraw/zinc/66/34/54/588663454.db2.gz UEZPHDIGCDKDBD-LSDHHAIUSA-N 0 3 231.314 3.205 20 30 BGEDHN C#C[C@@](C)(CC)NCc1ccc(C(C)C)nc1C ZINC000852103404 588663376 /nfs/dbraw/zinc/66/33/76/588663376.db2.gz HBSMSZHCLHERJP-INIZCTEOSA-N 0 3 244.382 3.405 20 30 BGEDHN C#C[C@](C)(CC)NCc1ccc(C(C)C)nc1C ZINC000852103405 588663500 /nfs/dbraw/zinc/66/35/00/588663500.db2.gz HBSMSZHCLHERJP-MRXNPFEDSA-N 0 3 244.382 3.405 20 30 BGEDHN C#C[C@@](C)(CC)NCCC1(C#N)CCCCC1 ZINC000852103652 588663880 /nfs/dbraw/zinc/66/38/80/588663880.db2.gz NRFCORQEPAKCNL-AWEZNQCLSA-N 0 3 232.371 3.242 20 30 BGEDHN C#C[C@](C)(CC)NCCC1(C#N)CCCCC1 ZINC000852103653 588663769 /nfs/dbraw/zinc/66/37/69/588663769.db2.gz NRFCORQEPAKCNL-CQSZACIVSA-N 0 3 232.371 3.242 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H](C)c1cccc(C#N)c1 ZINC000852103825 588663764 /nfs/dbraw/zinc/66/37/64/588663764.db2.gz SKYVBGPWWRUBDH-DOMZBBRYSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@](C)(CC)N[C@H](C)c1cccc(C#N)c1 ZINC000852103826 588663640 /nfs/dbraw/zinc/66/36/40/588663640.db2.gz SKYVBGPWWRUBDH-IUODEOHRSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H](C)c1cccc(C#N)c1 ZINC000852103827 588663602 /nfs/dbraw/zinc/66/36/02/588663602.db2.gz SKYVBGPWWRUBDH-SWLSCSKDSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H](C)c1cccc(C#N)c1 ZINC000852103828 588663803 /nfs/dbraw/zinc/66/38/03/588663803.db2.gz SKYVBGPWWRUBDH-WFASDCNBSA-N 0 3 226.323 3.011 20 30 BGEDHN C#C[C@@](C)(CC)N[C@@H]1CCc2ccccc21 ZINC000852103834 588663691 /nfs/dbraw/zinc/66/36/91/588663691.db2.gz SPYITDWUIFFEPP-CABCVRRESA-N 0 3 213.324 3.065 20 30 BGEDHN C#C[C@@](C)(CC)N[C@H]1CCc2ccccc21 ZINC000852103835 583000948 /nfs/dbraw/zinc/00/09/48/583000948.db2.gz SPYITDWUIFFEPP-GJZGRUSLSA-N 0 3 213.324 3.065 20 30 BGEDHN C#C[C@](C)(CC)N[C@@H]1CCc2ccccc21 ZINC000852103836 583000802 /nfs/dbraw/zinc/00/08/02/583000802.db2.gz SPYITDWUIFFEPP-HUUCEWRRSA-N 0 3 213.324 3.065 20 30 BGEDHN C#C[C@](C)(CC)N[C@H]1CCc2ccccc21 ZINC000852103837 583003366 /nfs/dbraw/zinc/00/33/66/583003366.db2.gz SPYITDWUIFFEPP-LSDHHAIUSA-N 0 3 213.324 3.065 20 30 BGEDHN C#CC1CCN(Cc2cccc(SC)c2)CC1 ZINC000852205692 588671630 /nfs/dbraw/zinc/67/16/30/588671630.db2.gz RJQBADFRZADUCV-UHFFFAOYSA-N 0 3 245.391 3.254 20 30 BGEDHN C#C[C@@H]1CCCN(Cc2cccc(SC)c2)C1 ZINC000852216241 645475614 /nfs/dbraw/zinc/47/56/14/645475614.db2.gz XAAGIRFEQGQVBQ-CYBMUJFWSA-N 0 3 245.391 3.254 20 30 BGEDHN C#C[C@H]1CCCN(Cc2cccc(SC)c2)C1 ZINC000852216242 645474932 /nfs/dbraw/zinc/47/49/32/645474932.db2.gz XAAGIRFEQGQVBQ-ZDUSSCGKSA-N 0 3 245.391 3.254 20 30 BGEDHN CCCCCCCCN(C)Cc1cnc[nH]1 ZINC000852287046 588676138 /nfs/dbraw/zinc/67/61/38/588676138.db2.gz RNTULJYEIPTILB-UHFFFAOYSA-N 0 3 223.364 3.202 20 30 BGEDHN CC[C@@H](C)N(CC)Cc1ccc(F)cc1C#N ZINC000852294330 588676640 /nfs/dbraw/zinc/67/66/40/588676640.db2.gz YBYGHHWTVUZBAW-LLVKDONJSA-N 0 3 234.318 3.318 20 30 BGEDHN CC[C@H](C)N(CC)Cc1ccc(F)cc1C#N ZINC000852294331 588676675 /nfs/dbraw/zinc/67/66/75/588676675.db2.gz YBYGHHWTVUZBAW-NSHDSACASA-N 0 3 234.318 3.318 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1NCC1(C#N)CCC1 ZINC000852302503 588677623 /nfs/dbraw/zinc/67/76/23/588677623.db2.gz BYWSIDLIYYHSGN-KBPBESRZSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1NCC1(C#N)CCC1 ZINC000852302504 588677527 /nfs/dbraw/zinc/67/75/27/588677527.db2.gz BYWSIDLIYYHSGN-KGLIPLIRSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1NCC1(C#N)CCC1 ZINC000852302505 588677575 /nfs/dbraw/zinc/67/75/75/588677575.db2.gz BYWSIDLIYYHSGN-UONOGXRCSA-N 0 3 232.371 3.405 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1NCC1(C#N)CCC1 ZINC000852302506 588677651 /nfs/dbraw/zinc/67/76/51/588677651.db2.gz BYWSIDLIYYHSGN-ZIAGYGMSSA-N 0 3 232.371 3.405 20 30 BGEDHN N#CC[C@@H]1CCCN(Cc2ccc(CF)cc2)C1 ZINC000852319703 588678398 /nfs/dbraw/zinc/67/83/98/588678398.db2.gz RBTFSGPNDBJMPV-AWEZNQCLSA-N 0 3 246.329 3.282 20 30 BGEDHN N#CC[C@H]1CCCN(Cc2ccc(CF)cc2)C1 ZINC000852319705 588678506 /nfs/dbraw/zinc/67/85/06/588678506.db2.gz RBTFSGPNDBJMPV-CQSZACIVSA-N 0 3 246.329 3.282 20 30 BGEDHN CC(C)(NC/C=C\Cl)c1cccc(C#N)c1 ZINC000852354472 588679615 /nfs/dbraw/zinc/67/96/15/588679615.db2.gz PWXZESMKWQASNG-DAXSKMNVSA-N 0 3 234.730 3.135 20 30 BGEDHN CC(C)(NC/C=C/Cl)c1cccc(C#N)c1 ZINC000852354473 588679525 /nfs/dbraw/zinc/67/95/25/588679525.db2.gz PWXZESMKWQASNG-QPJJXVBHSA-N 0 3 234.730 3.135 20 30 BGEDHN CCC(C)(C)[C@@H](C)NCC1(C#N)CCC1 ZINC000852355084 588679550 /nfs/dbraw/zinc/67/95/50/588679550.db2.gz OMBASDYTFGHKHN-LLVKDONJSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC(C)(C)[C@H](C)NCC1(C#N)CCC1 ZINC000852355085 588679471 /nfs/dbraw/zinc/67/94/71/588679471.db2.gz OMBASDYTFGHKHN-NSHDSACASA-N 0 3 208.349 3.095 20 30 BGEDHN C=CCN(CCSC(C)(C)C)[C@H](C)COC ZINC000852356993 588679795 /nfs/dbraw/zinc/67/97/95/588679795.db2.gz UYNZDZDCSRIYQD-GFCCVEGCSA-N 0 3 245.432 3.041 20 30 BGEDHN C=CCN(CCSC(C)(C)C)[C@@H](C)COC ZINC000852356994 588679592 /nfs/dbraw/zinc/67/95/92/588679592.db2.gz UYNZDZDCSRIYQD-LBPRGKRZSA-N 0 3 245.432 3.041 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000852408765 588680941 /nfs/dbraw/zinc/68/09/41/588680941.db2.gz AJCLJXJNVCKRCS-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000852408766 588680926 /nfs/dbraw/zinc/68/09/26/588680926.db2.gz AJCLJXJNVCKRCS-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000852410291 588681279 /nfs/dbraw/zinc/68/12/79/588681279.db2.gz LCTGUBSMLINSFN-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000852410292 588681291 /nfs/dbraw/zinc/68/12/91/588681291.db2.gz LCTGUBSMLINSFN-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C#CCCN[C@H](c1ccccc1F)C(C)C ZINC000852445960 588682730 /nfs/dbraw/zinc/68/27/30/588682730.db2.gz DGFVRLWZTQUFBP-AWEZNQCLSA-N 0 3 219.303 3.136 20 30 BGEDHN C#CCCN[C@@H](c1ccccc1F)C(C)C ZINC000852445962 588682853 /nfs/dbraw/zinc/68/28/53/588682853.db2.gz DGFVRLWZTQUFBP-CQSZACIVSA-N 0 3 219.303 3.136 20 30 BGEDHN C=CCN(C[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852553946 588689816 /nfs/dbraw/zinc/68/98/16/588689816.db2.gz XCFNGNBHWSDIAG-SECBINFHSA-N 0 3 236.186 3.467 20 30 BGEDHN C=CCN(C[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852553947 588689519 /nfs/dbraw/zinc/68/95/19/588689519.db2.gz XCFNGNBHWSDIAG-VIFPVBQESA-N 0 3 236.186 3.467 20 30 BGEDHN C=CCN(Cc1oc(C)nc1C)C(C)(C)C ZINC000852554144 588689825 /nfs/dbraw/zinc/68/98/25/588689825.db2.gz CZUZFFFNAQBXRH-UHFFFAOYSA-N 0 3 222.332 3.078 20 30 BGEDHN C=CCN(CC1(Br)CC1)C(C)(C)C ZINC000852554229 588689789 /nfs/dbraw/zinc/68/97/89/588689789.db2.gz HYXRRUPYZANHNN-UHFFFAOYSA-N 0 3 246.192 3.200 20 30 BGEDHN C=CCN(Cc1cccc(F)n1)C(C)(C)C ZINC000852554366 588688995 /nfs/dbraw/zinc/68/89/95/588688995.db2.gz KIQRARIFQWABFG-UHFFFAOYSA-N 0 3 222.307 3.007 20 30 BGEDHN C=CCN(Cc1ccc(F)cn1)C(C)(C)C ZINC000852554479 588689493 /nfs/dbraw/zinc/68/94/93/588689493.db2.gz OAPBEQGLEDNASQ-UHFFFAOYSA-N 0 3 222.307 3.007 20 30 BGEDHN C#CCCN(Cc1ccccc1F)CC1CC1 ZINC000852563440 588690933 /nfs/dbraw/zinc/69/09/33/588690933.db2.gz DCWBWJPNDGCLSD-UHFFFAOYSA-N 0 3 231.314 3.061 20 30 BGEDHN C#CCCCN(Cc1ccccc1F)CC1CC1 ZINC000852564637 588690830 /nfs/dbraw/zinc/69/08/30/588690830.db2.gz QCYSNAORPAEBPS-UHFFFAOYSA-N 0 3 245.341 3.451 20 30 BGEDHN C=CCC1(NCc2cccc(F)n2)CCCC1 ZINC000852588226 588691477 /nfs/dbraw/zinc/69/14/77/588691477.db2.gz RNZPDWUGHRHZIB-UHFFFAOYSA-N 0 3 234.318 3.199 20 30 BGEDHN C=C(Cl)CN[C@H](C)C1CCC(F)CC1 ZINC000852651496 588694182 /nfs/dbraw/zinc/69/41/82/588694182.db2.gz OPAYIAGPAFFHPA-KPPDAEKUSA-N 0 3 219.731 3.245 20 30 BGEDHN C=C(Cl)CN[C@@H](C)C1CCC(F)CC1 ZINC000852651497 588694136 /nfs/dbraw/zinc/69/41/36/588694136.db2.gz OPAYIAGPAFFHPA-WHXUTIOJSA-N 0 3 219.731 3.245 20 30 BGEDHN CC(C)CC1(NCc2ccc(F)cc2C#N)CC1 ZINC000852683419 588695467 /nfs/dbraw/zinc/69/54/67/588695467.db2.gz WIMOJAHEDDHKPA-UHFFFAOYSA-N 0 3 246.329 3.366 20 30 BGEDHN C=C(Cl)CN(CCC1CC1)CC1CC1 ZINC000852716256 588697673 /nfs/dbraw/zinc/69/76/73/588697673.db2.gz IJABXLBUIIUPSV-UHFFFAOYSA-N 0 3 213.752 3.251 20 30 BGEDHN Cc1cc(N)cc(C)c1C=NN1CCCC[C@H]1C ZINC000853378693 588738895 /nfs/dbraw/zinc/73/88/95/588738895.db2.gz BILKRKCGRVMRQS-CYBMUJFWSA-N 0 3 245.370 3.094 20 30 BGEDHN Cc1cc(N)cc(C)c1C=NN1CCCC[C@@H]1C ZINC000853378695 588739003 /nfs/dbraw/zinc/73/90/03/588739003.db2.gz BILKRKCGRVMRQS-ZDUSSCGKSA-N 0 3 245.370 3.094 20 30 BGEDHN CC(=NN1CCCC[C@H]1C)c1ccc(N)cc1C ZINC000853380360 588739318 /nfs/dbraw/zinc/73/93/18/588739318.db2.gz SXBZSFGJUMKGJO-GFCCVEGCSA-N 0 3 245.370 3.176 20 30 BGEDHN CC(=NN1CCCC[C@@H]1C)c1ccc(N)cc1C ZINC000853380361 588739448 /nfs/dbraw/zinc/73/94/48/588739448.db2.gz SXBZSFGJUMKGJO-LBPRGKRZSA-N 0 3 245.370 3.176 20 30 BGEDHN CCC(=NN1CCCC[C@H]1C)c1cccc(N)c1 ZINC000853381707 588739873 /nfs/dbraw/zinc/73/98/73/588739873.db2.gz JNFSRCIILGWJLI-GFCCVEGCSA-N 0 3 245.370 3.257 20 30 BGEDHN CCC(=NN1CCCC[C@@H]1C)c1cccc(N)c1 ZINC000853381708 588739831 /nfs/dbraw/zinc/73/98/31/588739831.db2.gz JNFSRCIILGWJLI-LBPRGKRZSA-N 0 3 245.370 3.257 20 30 BGEDHN FC(F)(F)C=CNNc1ccc(Cl)cn1 ZINC000853435324 588742364 /nfs/dbraw/zinc/74/23/64/588742364.db2.gz NDEFGMXGLVCHPX-UHFFFAOYSA-N 0 3 237.612 3.085 20 30 BGEDHN CC(NNc1ccc(Cl)cn1)=C1CC1(F)F ZINC000853436519 588742318 /nfs/dbraw/zinc/74/23/18/588742318.db2.gz YOIPMAPOCKSTMG-MRVPVSSYSA-N 0 3 245.660 3.178 20 30 BGEDHN CC(NNc1ccc(Cl)cn1)=C1CC1(F)F ZINC000853436521 588742366 /nfs/dbraw/zinc/74/23/66/588742366.db2.gz YOIPMAPOCKSTMG-QMMMGPOBSA-N 0 3 245.660 3.178 20 30 BGEDHN CC(=NOCC1CCC1)c1ccc(N)cc1C ZINC000853439077 588742720 /nfs/dbraw/zinc/74/27/20/588742720.db2.gz AKOGJROOPIVYAT-UHFFFAOYSA-N 0 3 232.327 3.118 20 30 BGEDHN Cc1cc(N)cc(C)c1C=NOCC1CCC1 ZINC000853439599 588742858 /nfs/dbraw/zinc/74/28/58/588742858.db2.gz MVRXAJYRWNIPAF-UHFFFAOYSA-N 0 3 232.327 3.036 20 30 BGEDHN C=C(Cl)COc1cc(C)nc(C)c1C ZINC000853704949 588758179 /nfs/dbraw/zinc/75/81/79/588758179.db2.gz CDRMCKRGMYKNAA-UHFFFAOYSA-N 0 3 211.692 3.138 20 30 BGEDHN C#CCN(Cc1ccnc(C)c1)C1CCCCC1 ZINC000856721664 588875159 /nfs/dbraw/zinc/87/51/59/588875159.db2.gz HSBMLXBQDCEARF-UHFFFAOYSA-N 0 3 242.366 3.158 20 30 BGEDHN CCCCCCCNCc1cn(C)nc1Cl ZINC000856764736 588876522 /nfs/dbraw/zinc/87/65/22/588876522.db2.gz LXTRDXXBBCOVOF-UHFFFAOYSA-N 0 3 243.782 3.134 20 30 BGEDHN CCCCCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857859183 588914037 /nfs/dbraw/zinc/91/40/37/588914037.db2.gz DOPGWLBBZDWXPH-CYBMUJFWSA-N 0 3 235.375 3.347 20 30 BGEDHN CCCCCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857859185 588914191 /nfs/dbraw/zinc/91/41/91/588914191.db2.gz DOPGWLBBZDWXPH-ZDUSSCGKSA-N 0 3 235.375 3.347 20 30 BGEDHN C=CCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857861695 588914899 /nfs/dbraw/zinc/91/48/99/588914899.db2.gz UDVMBZCMVNTEGS-AAEUAGOBSA-N 0 3 233.359 3.122 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857861696 588914729 /nfs/dbraw/zinc/91/47/29/588914729.db2.gz UDVMBZCMVNTEGS-DGCLKSJQSA-N 0 3 233.359 3.122 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857861697 588915246 /nfs/dbraw/zinc/91/52/46/588915246.db2.gz UDVMBZCMVNTEGS-WCQYABFASA-N 0 3 233.359 3.122 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857861698 588914861 /nfs/dbraw/zinc/91/48/61/588914861.db2.gz UDVMBZCMVNTEGS-YPMHNXCESA-N 0 3 233.359 3.122 20 30 BGEDHN C=CCCCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857873520 588918045 /nfs/dbraw/zinc/91/80/45/588918045.db2.gz YCVSZSVDQZEGIE-CYBMUJFWSA-N 0 3 233.359 3.123 20 30 BGEDHN C=CCCCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857873521 588918282 /nfs/dbraw/zinc/91/82/82/588918282.db2.gz YCVSZSVDQZEGIE-ZDUSSCGKSA-N 0 3 233.359 3.123 20 30 BGEDHN C=CCCCCC[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000857876916 588918652 /nfs/dbraw/zinc/91/86/52/588918652.db2.gz BUOSHALQNSIKKY-CYBMUJFWSA-N 0 3 247.386 3.293 20 30 BGEDHN C=CCCCCC[C@H](C)N1CCc2n[nH]cc2C1 ZINC000857876918 588919181 /nfs/dbraw/zinc/91/91/81/588919181.db2.gz BUOSHALQNSIKKY-ZDUSSCGKSA-N 0 3 247.386 3.293 20 30 BGEDHN C=CC[C@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857906272 588922690 /nfs/dbraw/zinc/92/26/90/588922690.db2.gz WCUROELBBBMIEV-GXSJLCMTSA-N 0 3 236.746 3.277 20 30 BGEDHN C=CC[C@@H](C)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857906275 588922752 /nfs/dbraw/zinc/92/27/52/588922752.db2.gz WCUROELBBBMIEV-KOLCDFICSA-N 0 3 236.746 3.277 20 30 BGEDHN C=CC[C@@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857906277 588922684 /nfs/dbraw/zinc/92/26/84/588922684.db2.gz WCUROELBBBMIEV-MWLCHTKSSA-N 0 3 236.746 3.277 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912426 588923388 /nfs/dbraw/zinc/92/33/88/588923388.db2.gz BHOGTKLURBJFGR-LLVKDONJSA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857912427 588923650 /nfs/dbraw/zinc/92/36/50/588923650.db2.gz BHOGTKLURBJFGR-NSHDSACASA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(C)CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857914789 588924036 /nfs/dbraw/zinc/92/40/36/588924036.db2.gz XXNSLMGEUXWAQU-LLVKDONJSA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(C)CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857914790 588923885 /nfs/dbraw/zinc/92/38/85/588923885.db2.gz XXNSLMGEUXWAQU-NSHDSACASA-N 0 3 236.746 3.278 20 30 BGEDHN C=CC(C)(C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000858205453 588938539 /nfs/dbraw/zinc/93/85/39/588938539.db2.gz AQMNHWUDVIKGOD-UHFFFAOYSA-N 0 3 249.354 3.093 20 30 BGEDHN C=CC(C)(C)CCNCc1cccnc1Cl ZINC000858205865 588938669 /nfs/dbraw/zinc/93/86/69/588938669.db2.gz IOBZMOUNRFWVAZ-UHFFFAOYSA-N 0 3 238.762 3.427 20 30 BGEDHN C=CCCCCCCNc1ccnc(CO)c1 ZINC000858545539 588964377 /nfs/dbraw/zinc/96/43/77/588964377.db2.gz QRLHUBSYFUGRHY-UHFFFAOYSA-N 0 3 234.343 3.122 20 30 BGEDHN C=CCC1(CNc2ccnc(CO)c2)CCCC1 ZINC000858562878 588966005 /nfs/dbraw/zinc/96/60/05/588966005.db2.gz OFJKQYPEWUAZSJ-UHFFFAOYSA-N 0 3 246.354 3.122 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858619425 588971533 /nfs/dbraw/zinc/97/15/33/588971533.db2.gz BBXLQDGADZVWPF-DOMZBBRYSA-N 0 3 246.354 3.121 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1Nc1ccnc(CO)c1 ZINC000858619427 588971413 /nfs/dbraw/zinc/97/14/13/588971413.db2.gz BBXLQDGADZVWPF-IUODEOHRSA-N 0 3 246.354 3.121 20 30 BGEDHN C=CC[C@H]1CCCC[C@H]1Nc1ccnc(CO)c1 ZINC000858619428 588971569 /nfs/dbraw/zinc/97/15/69/588971569.db2.gz BBXLQDGADZVWPF-SWLSCSKDSA-N 0 3 246.354 3.121 20 30 BGEDHN C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858619429 588971280 /nfs/dbraw/zinc/97/12/80/588971280.db2.gz BBXLQDGADZVWPF-WFASDCNBSA-N 0 3 246.354 3.121 20 30 BGEDHN C=CCN(Cc1ccc(C)c(C#N)c1)C(C)C ZINC000859082382 588998901 /nfs/dbraw/zinc/99/89/01/588998901.db2.gz XPQUWXPUVUKOQS-UHFFFAOYSA-N 0 3 228.339 3.263 20 30 BGEDHN CCC[C@@H](C)CCCN1CCC(C#N)CC1 ZINC000859104646 589002315 /nfs/dbraw/zinc/00/23/15/589002315.db2.gz GHABCOKQACZVSM-CYBMUJFWSA-N 0 3 222.376 3.438 20 30 BGEDHN CCC[C@H](C)CCCN1CCC(C#N)CC1 ZINC000859104647 589002718 /nfs/dbraw/zinc/00/27/18/589002718.db2.gz GHABCOKQACZVSM-ZDUSSCGKSA-N 0 3 222.376 3.438 20 30 BGEDHN CCCCCCCCN1CCc2nc[nH]c2C1 ZINC000859306462 589030021 /nfs/dbraw/zinc/03/00/21/589030021.db2.gz XDDHYIILCUQDBF-UHFFFAOYSA-N 0 3 235.375 3.128 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859349145 589032986 /nfs/dbraw/zinc/03/29/86/589032986.db2.gz QIJOQFUEYBCMFI-GFCCVEGCSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859349146 589033074 /nfs/dbraw/zinc/03/30/74/589033074.db2.gz QIJOQFUEYBCMFI-LBPRGKRZSA-N 0 3 234.318 3.009 20 30 BGEDHN C=CCN(Cc1ccnc(F)c1)C(C)(C)C ZINC000859350371 589033231 /nfs/dbraw/zinc/03/32/31/589033231.db2.gz SXFXQHWPIFJSHT-UHFFFAOYSA-N 0 3 222.307 3.007 20 30 BGEDHN C#CCCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859414953 589035662 /nfs/dbraw/zinc/03/56/62/589035662.db2.gz LBORVIJHOWYPQB-CYBMUJFWSA-N 0 3 249.304 3.168 20 30 BGEDHN C#CCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859414965 589035558 /nfs/dbraw/zinc/03/55/58/589035558.db2.gz LBORVIJHOWYPQB-ZDUSSCGKSA-N 0 3 249.304 3.168 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000859444077 589037110 /nfs/dbraw/zinc/03/71/10/589037110.db2.gz BRYQXXMTPYUHOT-LLVKDONJSA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000859444078 589036980 /nfs/dbraw/zinc/03/69/80/589036980.db2.gz BRYQXXMTPYUHOT-NSHDSACASA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000859444148 589037215 /nfs/dbraw/zinc/03/72/15/589037215.db2.gz FDOYPYLVYQONTB-LLVKDONJSA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000859444149 589037288 /nfs/dbraw/zinc/03/72/88/589037288.db2.gz FDOYPYLVYQONTB-NSHDSACASA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000859444532 589037068 /nfs/dbraw/zinc/03/70/68/589037068.db2.gz ROFUJDNPAVGTQW-LLVKDONJSA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000859444533 589037353 /nfs/dbraw/zinc/03/73/53/589037353.db2.gz ROFUJDNPAVGTQW-NSHDSACASA-N 0 3 236.746 3.133 20 30 BGEDHN C=CC[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000859445979 589037691 /nfs/dbraw/zinc/03/76/91/589037691.db2.gz SDICIPGEVNQOQQ-SECBINFHSA-N 0 3 220.143 3.203 20 30 BGEDHN C=CC[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000859445990 589037475 /nfs/dbraw/zinc/03/74/75/589037475.db2.gz SDICIPGEVNQOQQ-VIFPVBQESA-N 0 3 220.143 3.203 20 30 BGEDHN C#CCCNC(C)(C)c1nc2ccccc2s1 ZINC000859468656 589039446 /nfs/dbraw/zinc/03/94/46/589039446.db2.gz SCSXGWHSWLNAFL-UHFFFAOYSA-N 0 3 244.363 3.144 20 30 BGEDHN C=CCC1(NCc2nccc(C)n2)CCCCC1 ZINC000859745212 589058186 /nfs/dbraw/zinc/05/81/86/589058186.db2.gz RKYZYSGFDQIDQX-UHFFFAOYSA-N 0 3 245.370 3.154 20 30 BGEDHN C#CCN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859804465 589061811 /nfs/dbraw/zinc/06/18/11/589061811.db2.gz PMYLUYIHGWOJCY-AWEZNQCLSA-N 0 3 231.314 3.027 20 30 BGEDHN C#CCN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000859804472 589061511 /nfs/dbraw/zinc/06/15/11/589061511.db2.gz PMYLUYIHGWOJCY-CQSZACIVSA-N 0 3 231.314 3.027 20 30 BGEDHN C#CCN1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859852979 589066754 /nfs/dbraw/zinc/06/67/54/589066754.db2.gz OQLGZEYNKYCMRS-AWEZNQCLSA-N 0 3 231.314 3.027 20 30 BGEDHN C#CCN1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859852980 589066921 /nfs/dbraw/zinc/06/69/21/589066921.db2.gz OQLGZEYNKYCMRS-CQSZACIVSA-N 0 3 231.314 3.027 20 30 BGEDHN C=C(Cl)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926508 589071760 /nfs/dbraw/zinc/07/17/60/589071760.db2.gz RDOAQKRUPCQUOY-SOUVJXGZSA-N 0 3 247.769 3.474 20 30 BGEDHN C=CCCCCN[C@@H](C)c1ccns1 ZINC000860061765 589078567 /nfs/dbraw/zinc/07/85/67/589078567.db2.gz NKKLRSMKJSOQMR-JTQLQIEISA-N 0 3 210.346 3.150 20 30 BGEDHN C=CCCCCN[C@H](C)c1ccns1 ZINC000860061766 589078248 /nfs/dbraw/zinc/07/82/48/589078248.db2.gz NKKLRSMKJSOQMR-SNVBAGLBSA-N 0 3 210.346 3.150 20 30 BGEDHN C#CCNC(C)(C)c1ccc2ccccc2c1 ZINC000860074274 589079439 /nfs/dbraw/zinc/07/94/39/589079439.db2.gz XVQCYCPSKRRMPM-UHFFFAOYSA-N 0 3 223.319 3.298 20 30 BGEDHN C#CCCCNC1(c2c(F)cccc2F)CCC1 ZINC000860203273 589089520 /nfs/dbraw/zinc/08/95/20/589089520.db2.gz AKHIVROLIAGUDQ-UHFFFAOYSA-N 0 3 249.304 3.347 20 30 BGEDHN CC(C)CN(CCC#N)C[C@@]1(C)CCCS1 ZINC000862212763 589194560 /nfs/dbraw/zinc/19/45/60/589194560.db2.gz LGZGONHUXNSRFK-CYBMUJFWSA-N 0 3 240.416 3.144 20 30 BGEDHN CC(C)CN(CCC#N)C[C@]1(C)CCCS1 ZINC000862212770 589193148 /nfs/dbraw/zinc/19/31/48/589193148.db2.gz LGZGONHUXNSRFK-ZDUSSCGKSA-N 0 3 240.416 3.144 20 30 BGEDHN Cc1ccc([C@@H](C)CN2CCC(C#N)CC2)cc1 ZINC000862237157 589196463 /nfs/dbraw/zinc/19/64/63/589196463.db2.gz WIKUGZJSRANNGO-AWEZNQCLSA-N 0 3 242.366 3.334 20 30 BGEDHN Cc1ccc([C@H](C)CN2CCC(C#N)CC2)cc1 ZINC000862237159 589196030 /nfs/dbraw/zinc/19/60/30/589196030.db2.gz WIKUGZJSRANNGO-CQSZACIVSA-N 0 3 242.366 3.334 20 30 BGEDHN C=C(Cl)CNC[C@@H](C)c1ccc(C)cc1 ZINC000862295452 589200577 /nfs/dbraw/zinc/20/05/77/589200577.db2.gz IBJLWUMNYBXCQW-LLVKDONJSA-N 0 3 223.747 3.441 20 30 BGEDHN C=C(Cl)CNC[C@H](C)c1ccc(C)cc1 ZINC000862295453 589200881 /nfs/dbraw/zinc/20/08/81/589200881.db2.gz IBJLWUMNYBXCQW-NSHDSACASA-N 0 3 223.747 3.441 20 30 BGEDHN C#C[C@H](C)N(C)C[C@H](C)c1ccc(C)cc1 ZINC000862349077 589201742 /nfs/dbraw/zinc/20/17/42/589201742.db2.gz OEJOELVJAFDXNS-KBPBESRZSA-N 0 3 215.340 3.052 20 30 BGEDHN C#C[C@H](C)N(C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349078 589201978 /nfs/dbraw/zinc/20/19/78/589201978.db2.gz OEJOELVJAFDXNS-KGLIPLIRSA-N 0 3 215.340 3.052 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@H](C)c1ccc(C)cc1 ZINC000862349079 589201895 /nfs/dbraw/zinc/20/18/95/589201895.db2.gz OEJOELVJAFDXNS-UONOGXRCSA-N 0 3 215.340 3.052 20 30 BGEDHN C#C[C@@H](C)N(C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349080 589202079 /nfs/dbraw/zinc/20/20/79/589202079.db2.gz OEJOELVJAFDXNS-ZIAGYGMSSA-N 0 3 215.340 3.052 20 30 BGEDHN C=CC[C@@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862410184 589210166 /nfs/dbraw/zinc/21/01/66/589210166.db2.gz OYOGGWHGKPDTOO-CYBMUJFWSA-N 0 3 248.345 3.317 20 30 BGEDHN C=CC[C@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862410185 583962140 /nfs/dbraw/zinc/96/21/40/583962140.db2.gz OYOGGWHGKPDTOO-ZDUSSCGKSA-N 0 3 248.345 3.317 20 30 BGEDHN C=CC(C)(C)CCNCc1cc(F)ncc1F ZINC000862433024 589212268 /nfs/dbraw/zinc/21/22/68/589212268.db2.gz GOSLDWCWECGJBN-UHFFFAOYSA-N 0 3 240.297 3.052 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000862439730 589212889 /nfs/dbraw/zinc/21/28/89/589212889.db2.gz ANSCJMVXAFYCSM-AWEZNQCLSA-N 0 3 245.366 3.407 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000862439730 589212888 /nfs/dbraw/zinc/21/28/88/589212888.db2.gz ANSCJMVXAFYCSM-AWEZNQCLSA-N 0 3 245.366 3.407 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000862439731 589212791 /nfs/dbraw/zinc/21/27/91/589212791.db2.gz ANSCJMVXAFYCSM-CQSZACIVSA-N 0 3 245.366 3.407 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000862439731 589212789 /nfs/dbraw/zinc/21/27/89/589212789.db2.gz ANSCJMVXAFYCSM-CQSZACIVSA-N 0 3 245.366 3.407 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2cccc(CC)c2[O-])C1 ZINC000862440760 589213088 /nfs/dbraw/zinc/21/30/88/589213088.db2.gz LBHRKMHOQVCGOC-CYBMUJFWSA-N 0 3 245.366 3.353 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cccc(CC)c2[O-])C1 ZINC000862440760 589213085 /nfs/dbraw/zinc/21/30/85/589213085.db2.gz LBHRKMHOQVCGOC-CYBMUJFWSA-N 0 3 245.366 3.353 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2cccc(CC)c2[O-])C1 ZINC000862440761 589213013 /nfs/dbraw/zinc/21/30/13/589213013.db2.gz LBHRKMHOQVCGOC-ZDUSSCGKSA-N 0 3 245.366 3.353 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2cccc(CC)c2[O-])C1 ZINC000862440761 589213011 /nfs/dbraw/zinc/21/30/11/589213011.db2.gz LBHRKMHOQVCGOC-ZDUSSCGKSA-N 0 3 245.366 3.353 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000862441323 589213536 /nfs/dbraw/zinc/21/35/36/589213536.db2.gz QPJBANLXTOLUDU-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000862441323 589213535 /nfs/dbraw/zinc/21/35/35/589213535.db2.gz QPJBANLXTOLUDU-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000862441324 589213566 /nfs/dbraw/zinc/21/35/66/589213566.db2.gz QPJBANLXTOLUDU-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000862441324 589213565 /nfs/dbraw/zinc/21/35/65/589213565.db2.gz QPJBANLXTOLUDU-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000862441778 589213515 /nfs/dbraw/zinc/21/35/15/589213515.db2.gz WCPOPHPVFQVHGP-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000862441778 589213514 /nfs/dbraw/zinc/21/35/14/589213514.db2.gz WCPOPHPVFQVHGP-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000862441779 589213588 /nfs/dbraw/zinc/21/35/88/589213588.db2.gz WCPOPHPVFQVHGP-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000862441779 589213587 /nfs/dbraw/zinc/21/35/87/589213587.db2.gz WCPOPHPVFQVHGP-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000862442647 589213176 /nfs/dbraw/zinc/21/31/76/589213176.db2.gz FBUDHPALGQNIQF-GFCCVEGCSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000862442648 589213164 /nfs/dbraw/zinc/21/31/64/589213164.db2.gz FBUDHPALGQNIQF-LBPRGKRZSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000862442980 589213193 /nfs/dbraw/zinc/21/31/93/589213193.db2.gz JZQRNOUUSUUMTQ-GFCCVEGCSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000862442981 589213584 /nfs/dbraw/zinc/21/35/84/589213584.db2.gz JZQRNOUUSUUMTQ-LBPRGKRZSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000862443223 589213532 /nfs/dbraw/zinc/21/35/32/589213532.db2.gz MDBUIWAEZRTCGJ-GUTXKFCHSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000862443224 589213444 /nfs/dbraw/zinc/21/34/44/589213444.db2.gz MDBUIWAEZRTCGJ-GZBFAFLISA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000862443225 589213721 /nfs/dbraw/zinc/21/37/21/589213721.db2.gz MDBUIWAEZRTCGJ-NFAWXSAZSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000862443226 589214174 /nfs/dbraw/zinc/21/41/74/589214174.db2.gz MDBUIWAEZRTCGJ-UMVBOHGHSA-N 0 3 243.350 3.248 20 30 BGEDHN C#CC[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000862443450 589213748 /nfs/dbraw/zinc/21/37/48/589213748.db2.gz OWZGZBGAOIBHQZ-JTQLQIEISA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000862443451 589213839 /nfs/dbraw/zinc/21/38/39/589213839.db2.gz OWZGZBGAOIBHQZ-SNVBAGLBSA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000862444069 589214053 /nfs/dbraw/zinc/21/40/53/589214053.db2.gz XGYBBMKACAFGSW-GFCCVEGCSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000862444070 589213971 /nfs/dbraw/zinc/21/39/71/589213971.db2.gz XGYBBMKACAFGSW-LBPRGKRZSA-N 0 3 233.742 3.185 20 30 BGEDHN C#CC[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000862444550 589213745 /nfs/dbraw/zinc/21/37/45/589213745.db2.gz BULRKLZKOSEYET-JTQLQIEISA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000862444551 589213848 /nfs/dbraw/zinc/21/38/48/589213848.db2.gz BULRKLZKOSEYET-SNVBAGLBSA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000862444708 589214314 /nfs/dbraw/zinc/21/43/14/589214314.db2.gz FVSCGRDILLSEJK-JTQLQIEISA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000862444709 589214481 /nfs/dbraw/zinc/21/44/81/589214481.db2.gz FVSCGRDILLSEJK-SNVBAGLBSA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@H]1CCN(Cc2ccsc2Cl)C1 ZINC000862445178 589214402 /nfs/dbraw/zinc/21/44/02/589214402.db2.gz NNKHASOXPJSINO-JTQLQIEISA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2ccsc2Cl)C1 ZINC000862445179 589214272 /nfs/dbraw/zinc/21/42/72/589214272.db2.gz NNKHASOXPJSINO-SNVBAGLBSA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000862445600 589214902 /nfs/dbraw/zinc/21/49/02/589214902.db2.gz XULASCOYBZWCQI-GFCCVEGCSA-N 0 3 248.395 3.112 20 30 BGEDHN C#CC[C@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000862445601 589214768 /nfs/dbraw/zinc/21/47/68/589214768.db2.gz XULASCOYBZWCQI-LBPRGKRZSA-N 0 3 248.395 3.112 20 30 BGEDHN C#CC[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000862447766 589215001 /nfs/dbraw/zinc/21/50/01/589215001.db2.gz QNAUBTNZIZEVJW-JTQLQIEISA-N 0 3 239.771 3.247 20 30 BGEDHN C#CC[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000862447767 589214972 /nfs/dbraw/zinc/21/49/72/589214972.db2.gz QNAUBTNZIZEVJW-SNVBAGLBSA-N 0 3 239.771 3.247 20 30 BGEDHN C#Cc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000862467315 589216357 /nfs/dbraw/zinc/21/63/57/589216357.db2.gz RZQPWSKISBCXOM-UHFFFAOYSA-N 0 3 249.304 3.289 20 30 BGEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476017 589216763 /nfs/dbraw/zinc/21/67/63/589216763.db2.gz FKHPDPPFWYZOMI-CHWSQXEVSA-N 0 3 233.355 3.391 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476018 589216332 /nfs/dbraw/zinc/21/63/32/589216332.db2.gz FKHPDPPFWYZOMI-OLZOCXBDSA-N 0 3 233.355 3.391 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476019 589216645 /nfs/dbraw/zinc/21/66/45/589216645.db2.gz FKHPDPPFWYZOMI-QWHCGFSZSA-N 0 3 233.355 3.391 20 30 BGEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476020 589216387 /nfs/dbraw/zinc/21/63/87/589216387.db2.gz FKHPDPPFWYZOMI-STQMWFEESA-N 0 3 233.355 3.391 20 30 BGEDHN C=CCC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476813 589216770 /nfs/dbraw/zinc/21/67/70/589216770.db2.gz YYGUGTHNYHXCBF-GFCCVEGCSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CCC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000862476814 589216468 /nfs/dbraw/zinc/21/64/68/589216468.db2.gz YYGUGTHNYHXCBF-LBPRGKRZSA-N 0 3 219.328 3.145 20 30 BGEDHN CCC[C@@H](C)CCCC(C)=Nn1cnnc1 ZINC000863063829 589253627 /nfs/dbraw/zinc/25/36/27/589253627.db2.gz XPUVSHLMLUJUBA-LLVKDONJSA-N 0 3 222.336 3.109 20 30 BGEDHN CCC[C@H](C)CCCC(C)=Nn1cnnc1 ZINC000863063830 589253524 /nfs/dbraw/zinc/25/35/24/589253524.db2.gz XPUVSHLMLUJUBA-NSHDSACASA-N 0 3 222.336 3.109 20 30 BGEDHN CN1CCC(=NOCc2ccccc2)CC1(C)C ZINC000863076724 589254487 /nfs/dbraw/zinc/25/44/87/589254487.db2.gz FTQBTMKQPUZBRH-UHFFFAOYSA-N 0 3 246.354 3.063 20 30 BGEDHN CCC(=NNC(CC)CC)c1ccc(N)cc1 ZINC000863094531 589255469 /nfs/dbraw/zinc/25/54/69/589255469.db2.gz MLVQDSMEMITNQF-UHFFFAOYSA-N 0 3 233.359 3.161 20 30 BGEDHN CCC(=NOCC(C)C)c1ccc(N)cc1 ZINC000863103808 589256064 /nfs/dbraw/zinc/25/60/64/589256064.db2.gz LFOJAUQXIDBQOM-UHFFFAOYSA-N 0 3 220.316 3.056 20 30 BGEDHN CCC(=NNC1CCCCC1)c1ccc(N)cc1 ZINC000863107112 589256793 /nfs/dbraw/zinc/25/67/93/589256793.db2.gz DAMOKXFJNGZXEP-UHFFFAOYSA-N 0 3 245.370 3.305 20 30 BGEDHN CCC(=NNCC1CCCC1)c1ccc(N)cc1 ZINC000863113137 589258262 /nfs/dbraw/zinc/25/82/62/589258262.db2.gz JUKKRAPUOJGAMU-UHFFFAOYSA-N 0 3 245.370 3.163 20 30 BGEDHN CCC(=NN[C@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000863114778 589258884 /nfs/dbraw/zinc/25/88/84/589258884.db2.gz UBOQBXUFDDZQSW-LLVKDONJSA-N 0 3 247.386 3.407 20 30 BGEDHN CCC(=NN[C@@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000863114779 589259006 /nfs/dbraw/zinc/25/90/06/589259006.db2.gz UBOQBXUFDDZQSW-NSHDSACASA-N 0 3 247.386 3.407 20 30 BGEDHN CCC(=NOCCC1CC1)c1ccc(N)cc1 ZINC000863115712 589259316 /nfs/dbraw/zinc/25/93/16/589259316.db2.gz WDVJHNDSNAGHTO-UHFFFAOYSA-N 0 3 232.327 3.200 20 30 BGEDHN CCC(=NOCC1CCC1)c1ccc(N)cc1 ZINC000863125074 589261132 /nfs/dbraw/zinc/26/11/32/589261132.db2.gz MIYKCHKPKHWTJW-UHFFFAOYSA-N 0 3 232.327 3.200 20 30 BGEDHN CCC(=NN1CCCC[C@H]1C)c1ccc(N)cc1 ZINC000863126669 589261241 /nfs/dbraw/zinc/26/12/41/589261241.db2.gz MZQVJFFPZRCBIN-GFCCVEGCSA-N 0 3 245.370 3.257 20 30 BGEDHN CCC(=NN1CCCC[C@@H]1C)c1ccc(N)cc1 ZINC000863126670 589261314 /nfs/dbraw/zinc/26/13/14/589261314.db2.gz MZQVJFFPZRCBIN-LBPRGKRZSA-N 0 3 245.370 3.257 20 30 BGEDHN N#CCCNCCCCCCc1ccccc1 ZINC000863570925 589300758 /nfs/dbraw/zinc/30/07/58/589300758.db2.gz MTFRBCQANPBHST-UHFFFAOYSA-N 0 3 230.355 3.293 20 30 BGEDHN c1nncn1N=C1CCCC[C@@H]1C1=CCCCC1 ZINC000864048551 589334674 /nfs/dbraw/zinc/33/46/74/589334674.db2.gz WYRMTHQSGZEYOS-CYBMUJFWSA-N 0 3 244.342 3.173 20 30 BGEDHN c1nncn1N=C1CCCC[C@H]1C1=CCCCC1 ZINC000864048552 589334160 /nfs/dbraw/zinc/33/41/60/589334160.db2.gz WYRMTHQSGZEYOS-ZDUSSCGKSA-N 0 3 244.342 3.173 20 30 BGEDHN CCCCCCCCCC=Nn1cnnc1 ZINC000864347467 589354380 /nfs/dbraw/zinc/35/43/80/589354380.db2.gz RCKIDSCIXXNAKD-UHFFFAOYSA-N 0 3 222.336 3.253 20 30 BGEDHN C=CCNCc1cccc(OC(C)(C)C)c1 ZINC000865400930 589432377 /nfs/dbraw/zinc/43/23/77/589432377.db2.gz DMEPCJLLMHDDLF-UHFFFAOYSA-N 0 3 219.328 3.140 20 30 BGEDHN CCCCCCCNCc1cn(C2CC2)cn1 ZINC000865405190 589433829 /nfs/dbraw/zinc/43/38/29/589433829.db2.gz ZDYRSKSSOUBURB-UHFFFAOYSA-N 0 3 235.375 3.278 20 30 BGEDHN C=CCCC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865522348 589442659 /nfs/dbraw/zinc/44/26/59/589442659.db2.gz OUZGKZCFTOLQTC-GFCCVEGCSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865522349 589442874 /nfs/dbraw/zinc/44/28/74/589442874.db2.gz OUZGKZCFTOLQTC-LBPRGKRZSA-N 0 3 233.359 3.052 20 30 BGEDHN Cc1c(Cl)cccc1CNCCCC#N ZINC000865526414 589443745 /nfs/dbraw/zinc/44/37/45/589443745.db2.gz QLEZBTDOGHFNSR-UHFFFAOYSA-N 0 3 222.719 3.042 20 30 BGEDHN CC(C)(C)Oc1cccc(CNCCCC#N)c1 ZINC000865526825 589443770 /nfs/dbraw/zinc/44/37/70/589443770.db2.gz ZHPQJKQDWIWZBY-UHFFFAOYSA-N 0 3 246.354 3.257 20 30 BGEDHN C=CCCCCNCc1cnc(Cl)c(F)c1 ZINC000865530438 589443792 /nfs/dbraw/zinc/44/37/92/589443792.db2.gz BBCXYDSFJYRFEB-UHFFFAOYSA-N 0 3 242.725 3.320 20 30 BGEDHN C=CCCCNCc1c(Cl)cncc1Cl ZINC000865547523 589445376 /nfs/dbraw/zinc/44/53/76/589445376.db2.gz FGFJTSNMTXHFIE-UHFFFAOYSA-N 0 3 245.153 3.444 20 30 BGEDHN Cc1c(Cl)cccc1CNCC1(CC#N)CC1 ZINC000865550709 589446029 /nfs/dbraw/zinc/44/60/29/589446029.db2.gz HCOYRIZGJYAMQQ-UHFFFAOYSA-N 0 3 248.757 3.432 20 30 BGEDHN C=C(C)CNCc1ccc(OC(F)F)cc1F ZINC000865557107 589446482 /nfs/dbraw/zinc/44/64/82/589446482.db2.gz HXUMMEQACNJXJA-UHFFFAOYSA-N 0 3 245.244 3.093 20 30 BGEDHN C=CCCCCCCNCc1cn(C2CC2)cn1 ZINC000865567985 589447450 /nfs/dbraw/zinc/44/74/50/589447450.db2.gz VVEIMGYRTWHMAR-UHFFFAOYSA-N 0 3 247.386 3.444 20 30 BGEDHN C=CC(C)(C)CNCc1cnc(Cl)c(F)c1 ZINC000865588592 589449075 /nfs/dbraw/zinc/44/90/75/589449075.db2.gz HUIXHEZBORZVHI-UHFFFAOYSA-N 0 3 242.725 3.176 20 30 BGEDHN C=C(CC)CNCc1cnc2c(F)cccc2c1 ZINC000865594134 589449793 /nfs/dbraw/zinc/44/97/93/589449793.db2.gz SQTWIWLGBVZMSG-UHFFFAOYSA-N 0 3 244.313 3.430 20 30 BGEDHN Cc1c(Cl)cccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000865609769 589451228 /nfs/dbraw/zinc/45/12/28/589451228.db2.gz RJBQFDZPCIGNDX-WCQYABFASA-N 0 3 248.757 3.430 20 30 BGEDHN C=CCCCCCNCc1cn(C2CC2)cn1 ZINC000865618348 589451421 /nfs/dbraw/zinc/45/14/21/589451421.db2.gz VZSXETPQKSEYJH-UHFFFAOYSA-N 0 3 233.359 3.054 20 30 BGEDHN C=CCCNCc1ccc(OC(F)F)cc1F ZINC000865624766 589451998 /nfs/dbraw/zinc/45/19/98/589451998.db2.gz YTFXNKRHHGVEIO-UHFFFAOYSA-N 0 3 245.244 3.093 20 30 BGEDHN C=CCC1(NCc2cn(C3CC3)cn2)CCCC1 ZINC000865629918 589452438 /nfs/dbraw/zinc/45/24/38/589452438.db2.gz VGZGQDLIRFKWKM-UHFFFAOYSA-N 0 3 245.370 3.197 20 30 BGEDHN C=CCCC(C)(C)NCc1cn(C2CC2)cn1 ZINC000865635460 589453043 /nfs/dbraw/zinc/45/30/43/589453043.db2.gz QPVWYFIKATVOSB-UHFFFAOYSA-N 0 3 233.359 3.052 20 30 BGEDHN C=CCCC(C)(C)CNCc1cn(C2CC2)cn1 ZINC000865679156 589455879 /nfs/dbraw/zinc/45/58/79/589455879.db2.gz LBRAWCIYGVGTSI-UHFFFAOYSA-N 0 3 247.386 3.300 20 30 BGEDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1C#N ZINC000865698758 589457175 /nfs/dbraw/zinc/45/71/75/589457175.db2.gz HDMWPRPHLXXYQA-LSDHHAIUSA-N 0 3 246.329 3.237 20 30 BGEDHN C[C@@H]1CCc2ccc(F)cc2[C@H]1NCCCC#N ZINC000866334803 589486832 /nfs/dbraw/zinc/48/68/32/589486832.db2.gz CMDGETZIVGHIKH-ABAIWWIYSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@@H]1CCc2ccc(F)cc2[C@@H]1NCCCC#N ZINC000866334804 589486854 /nfs/dbraw/zinc/48/68/54/589486854.db2.gz CMDGETZIVGHIKH-IAQYHMDHSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@H]1CCc2ccc(F)cc2[C@H]1NCCCC#N ZINC000866334805 589486651 /nfs/dbraw/zinc/48/66/51/589486651.db2.gz CMDGETZIVGHIKH-NHYWBVRUSA-N 0 3 246.329 3.342 20 30 BGEDHN C[C@H]1CCc2ccc(F)cc2[C@@H]1NCCCC#N ZINC000866334806 589486830 /nfs/dbraw/zinc/48/68/30/589486830.db2.gz CMDGETZIVGHIKH-XHDPSFHLSA-N 0 3 246.329 3.342 20 30 BGEDHN N#CCCCN[C@H]1CCCc2c(F)cccc21 ZINC000866336291 589486842 /nfs/dbraw/zinc/48/68/42/589486842.db2.gz PERSNMUUXXDABS-AWEZNQCLSA-N 0 3 232.302 3.096 20 30 BGEDHN N#CCCCN[C@@H]1CCCc2c(F)cccc21 ZINC000866336296 589486722 /nfs/dbraw/zinc/48/67/22/589486722.db2.gz PERSNMUUXXDABS-CQSZACIVSA-N 0 3 232.302 3.096 20 30 BGEDHN C=C(C)CN[C@H](CC)c1cccc(OC)c1OC ZINC000866345179 589487358 /nfs/dbraw/zinc/48/73/58/589487358.db2.gz JFYNMCNDTTUHCC-CYBMUJFWSA-N 0 3 249.354 3.321 20 30 BGEDHN C=C(C)CN[C@@H](CC)c1cccc(OC)c1OC ZINC000866345180 589487259 /nfs/dbraw/zinc/48/72/59/589487259.db2.gz JFYNMCNDTTUHCC-ZDUSSCGKSA-N 0 3 249.354 3.321 20 30 BGEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1ccccn1 ZINC000866351927 589487782 /nfs/dbraw/zinc/48/77/82/589487782.db2.gz SZLIYRIXTKUYIN-AWEZNQCLSA-N 0 3 243.354 3.062 20 30 BGEDHN CC(C)[C@@H](NCC1(CC#N)CC1)c1ccccn1 ZINC000866351928 589487680 /nfs/dbraw/zinc/48/76/80/589487680.db2.gz SZLIYRIXTKUYIN-CQSZACIVSA-N 0 3 243.354 3.062 20 30 BGEDHN CC(C)[C@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000866371468 589488548 /nfs/dbraw/zinc/48/85/48/589488548.db2.gz IUUMBLBFYFUABK-AWEZNQCLSA-N 0 3 245.370 3.308 20 30 BGEDHN CC(C)[C@@H](NCC(C)(C)CC#N)c1ccccn1 ZINC000866371469 589488404 /nfs/dbraw/zinc/48/84/04/589488404.db2.gz IUUMBLBFYFUABK-CQSZACIVSA-N 0 3 245.370 3.308 20 30 BGEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000866379077 589488744 /nfs/dbraw/zinc/48/87/44/589488744.db2.gz GZSNZOMAHWLBMQ-GUTXKFCHSA-N 0 3 243.354 3.061 20 30 BGEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000866379079 589488847 /nfs/dbraw/zinc/48/88/47/589488847.db2.gz GZSNZOMAHWLBMQ-GZBFAFLISA-N 0 3 243.354 3.061 20 30 BGEDHN C=CCCC(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000866429857 589492441 /nfs/dbraw/zinc/49/24/41/589492441.db2.gz QZAWZVPESZEODR-LLVKDONJSA-N 0 3 221.348 3.053 20 30 BGEDHN C=CCCC(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000866429858 589492146 /nfs/dbraw/zinc/49/21/46/589492146.db2.gz QZAWZVPESZEODR-NSHDSACASA-N 0 3 221.348 3.053 20 30 BGEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866449354 589493806 /nfs/dbraw/zinc/49/38/06/589493806.db2.gz ANBWJVPCWGVILK-BYCMXARLSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866449355 589493725 /nfs/dbraw/zinc/49/37/25/589493725.db2.gz ANBWJVPCWGVILK-TUKIKUTGSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1 ZINC000866449864 589494011 /nfs/dbraw/zinc/49/40/11/589494011.db2.gz JZLJBIMIUFFIPK-BYCMXARLSA-N 0 3 246.329 3.490 20 30 BGEDHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1 ZINC000866449865 589493817 /nfs/dbraw/zinc/49/38/17/589493817.db2.gz JZLJBIMIUFFIPK-TUKIKUTGSA-N 0 3 246.329 3.490 20 30 BGEDHN C=CCC[C@H](C)NCc1noc2ccc(F)cc12 ZINC000866511024 589498378 /nfs/dbraw/zinc/49/83/78/589498378.db2.gz MKJSOUWPSCXYEQ-JTQLQIEISA-N 0 3 248.301 3.411 20 30 BGEDHN C=CCC[C@@H](C)NCc1noc2ccc(F)cc12 ZINC000866511025 589498718 /nfs/dbraw/zinc/49/87/18/589498718.db2.gz MKJSOUWPSCXYEQ-SNVBAGLBSA-N 0 3 248.301 3.411 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000866595568 589502554 /nfs/dbraw/zinc/50/25/54/589502554.db2.gz HIPUPFNVJAUCLS-AGIUHOORSA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000866595569 589502520 /nfs/dbraw/zinc/50/25/20/589502520.db2.gz HIPUPFNVJAUCLS-JHJVBQTASA-N 0 3 244.338 3.038 20 30 BGEDHN COc1ccccc1[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000866595570 589502449 /nfs/dbraw/zinc/50/24/49/589502449.db2.gz HIPUPFNVJAUCLS-UPJWGTAASA-N 0 3 244.338 3.038 20 30 BGEDHN C=CCC[C@H](C)NCc1noc2cc(F)ccc12 ZINC000866614382 589505081 /nfs/dbraw/zinc/50/50/81/589505081.db2.gz ZNYPVMUPEJHPQY-JTQLQIEISA-N 0 3 248.301 3.411 20 30 BGEDHN C=CCC[C@@H](C)NCc1noc2cc(F)ccc12 ZINC000866614383 589504937 /nfs/dbraw/zinc/50/49/37/589504937.db2.gz ZNYPVMUPEJHPQY-SNVBAGLBSA-N 0 3 248.301 3.411 20 30 BGEDHN Cc1cc(OCc2ccc(C#N)o2)c(C)c(C)n1 ZINC000871752580 589805683 /nfs/dbraw/zinc/80/56/83/589805683.db2.gz ARDRGSYNDQWGHR-UHFFFAOYSA-N 0 3 242.278 3.051 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1cnccn1 ZINC000871930003 589834477 /nfs/dbraw/zinc/83/44/77/589834477.db2.gz FGSJMNUKMZGOCA-GFCCVEGCSA-N 0 3 233.359 3.120 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cnccn1 ZINC000871930004 589833956 /nfs/dbraw/zinc/83/39/56/589833956.db2.gz FGSJMNUKMZGOCA-LBPRGKRZSA-N 0 3 233.359 3.120 20 30 BGEDHN C=CC(C)(C)CCCNC[C@@H](C#N)CCC#N ZINC000871930869 589834303 /nfs/dbraw/zinc/83/43/03/589834303.db2.gz STILWFJUXQMVOF-CYBMUJFWSA-N 0 3 233.359 3.012 20 30 BGEDHN C=CC(C)(C)CCCNC[C@H](C#N)CCC#N ZINC000871930870 589834000 /nfs/dbraw/zinc/83/40/00/589834000.db2.gz STILWFJUXQMVOF-ZDUSSCGKSA-N 0 3 233.359 3.012 20 30 BGEDHN C=C(Cl)CN[C@H](CC)CCC(F)(F)F ZINC000872045166 589860059 /nfs/dbraw/zinc/86/00/59/589860059.db2.gz JHXJAHYXXFCRNM-MRVPVSSYSA-N 0 3 229.673 3.450 20 30 BGEDHN C=C(Cl)CN[C@@H](CC)CCC(F)(F)F ZINC000872045168 589859847 /nfs/dbraw/zinc/85/98/47/589859847.db2.gz JHXJAHYXXFCRNM-QMMMGPOBSA-N 0 3 229.673 3.450 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872045475 589860048 /nfs/dbraw/zinc/86/00/48/589860048.db2.gz MNLZSWSVTPGTJR-NXEZZACHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872045476 589859828 /nfs/dbraw/zinc/85/98/28/589859828.db2.gz MNLZSWSVTPGTJR-UWVGGRQHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872045477 589859863 /nfs/dbraw/zinc/85/98/63/589859863.db2.gz MNLZSWSVTPGTJR-VHSXEESVSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872045478 589859572 /nfs/dbraw/zinc/85/95/72/589859572.db2.gz MNLZSWSVTPGTJR-ZJUUUORDSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872045844 589860377 /nfs/dbraw/zinc/86/03/77/589860377.db2.gz SAZUWRNSXHNEBD-NXEZZACHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872045845 589860771 /nfs/dbraw/zinc/86/07/71/589860771.db2.gz SAZUWRNSXHNEBD-UWVGGRQHSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872045846 589860711 /nfs/dbraw/zinc/86/07/11/589860711.db2.gz SAZUWRNSXHNEBD-VHSXEESVSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872045847 589860754 /nfs/dbraw/zinc/86/07/54/589860754.db2.gz SAZUWRNSXHNEBD-ZJUUUORDSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872067181 589863642 /nfs/dbraw/zinc/86/36/42/589863642.db2.gz PENLKVYCEDBFDV-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872067182 589863428 /nfs/dbraw/zinc/86/34/28/589863428.db2.gz PENLKVYCEDBFDV-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=CCCCN[C@@H](C)c1cc(O)ccc1F ZINC000872068651 589864010 /nfs/dbraw/zinc/86/40/10/589864010.db2.gz YCWSJUDQAAVASK-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=CCCCN[C@H](C)c1cc(O)ccc1F ZINC000872068656 589864133 /nfs/dbraw/zinc/86/41/33/589864133.db2.gz YCWSJUDQAAVASK-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872074756 589864879 /nfs/dbraw/zinc/86/48/79/589864879.db2.gz HEJBPUHPJGJMHP-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872074757 589864744 /nfs/dbraw/zinc/86/47/44/589864744.db2.gz HEJBPUHPJGJMHP-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CCN[C@@H](C)c1cc(O)ccc1F ZINC000872075856 589865033 /nfs/dbraw/zinc/86/50/33/589865033.db2.gz UXDLYSQZPDDPKF-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CCN[C@H](C)c1cc(O)ccc1F ZINC000872075857 589864856 /nfs/dbraw/zinc/86/48/56/589864856.db2.gz UXDLYSQZPDDPKF-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cc(O)ccc1F ZINC000872076676 589865536 /nfs/dbraw/zinc/86/55/36/589865536.db2.gz PUWLUKDWEHWVHM-JTQLQIEISA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cc(O)ccc1F ZINC000872076677 589865512 /nfs/dbraw/zinc/86/55/12/589865512.db2.gz PUWLUKDWEHWVHM-SNVBAGLBSA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872076738 589865274 /nfs/dbraw/zinc/86/52/74/589865274.db2.gz QRSJAJUPVWKJCG-JTQLQIEISA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872076739 589865602 /nfs/dbraw/zinc/86/56/02/589865602.db2.gz QRSJAJUPVWKJCG-SNVBAGLBSA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000872099562 589868922 /nfs/dbraw/zinc/86/89/22/589868922.db2.gz CTLWEZUYZONBFZ-CHWSQXEVSA-N 0 3 247.386 3.471 20 30 BGEDHN C=CC(C)(C)CCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000872099563 589869607 /nfs/dbraw/zinc/86/96/07/589869607.db2.gz CTLWEZUYZONBFZ-OLZOCXBDSA-N 0 3 247.386 3.471 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000872099564 589868831 /nfs/dbraw/zinc/86/88/31/589868831.db2.gz CTLWEZUYZONBFZ-QWHCGFSZSA-N 0 3 247.386 3.471 20 30 BGEDHN C=CC(C)(C)CCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000872099565 589869361 /nfs/dbraw/zinc/86/93/61/589869361.db2.gz CTLWEZUYZONBFZ-STQMWFEESA-N 0 3 247.386 3.471 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H]1CCCn2ccnc21 ZINC000872099846 589869985 /nfs/dbraw/zinc/86/99/85/589869985.db2.gz FJGNCNFMEDHXML-CYBMUJFWSA-N 0 3 247.386 3.300 20 30 BGEDHN C=CC(C)(C)CCCN[C@H]1CCCn2ccnc21 ZINC000872099847 589870478 /nfs/dbraw/zinc/87/04/78/589870478.db2.gz FJGNCNFMEDHXML-ZDUSSCGKSA-N 0 3 247.386 3.300 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1ncc[nH]1 ZINC000872100031 589870400 /nfs/dbraw/zinc/87/04/00/589870400.db2.gz GNVFMFMKAXHOOZ-LLVKDONJSA-N 0 3 221.348 3.053 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1ncc[nH]1 ZINC000872100033 589870266 /nfs/dbraw/zinc/87/02/66/589870266.db2.gz GNVFMFMKAXHOOZ-NSHDSACASA-N 0 3 221.348 3.053 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](CC)c1nccn1C ZINC000872100144 589870306 /nfs/dbraw/zinc/87/03/06/589870306.db2.gz HMDADQUHWDSZSX-CYBMUJFWSA-N 0 3 249.402 3.453 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](CC)c1nccn1C ZINC000872100145 589870630 /nfs/dbraw/zinc/87/06/30/589870630.db2.gz HMDADQUHWDSZSX-ZDUSSCGKSA-N 0 3 249.402 3.453 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1ccn(C)n1 ZINC000872100494 589869977 /nfs/dbraw/zinc/86/99/77/589869977.db2.gz JUOYBDTVVBKNBT-GFCCVEGCSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1ccn(C)n1 ZINC000872100495 589870132 /nfs/dbraw/zinc/87/01/32/589870132.db2.gz JUOYBDTVVBKNBT-LBPRGKRZSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1nccnc1C ZINC000872100845 589870527 /nfs/dbraw/zinc/87/05/27/589870527.db2.gz KKXSRPQRKQRTOJ-GFCCVEGCSA-N 0 3 247.386 3.428 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1nccnc1C ZINC000872100846 589870020 /nfs/dbraw/zinc/87/00/20/589870020.db2.gz KKXSRPQRKQRTOJ-LBPRGKRZSA-N 0 3 247.386 3.428 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1nccn1C ZINC000872101348 589869727 /nfs/dbraw/zinc/86/97/27/589869727.db2.gz LXXLHZZUIRZSJA-GFCCVEGCSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1nccn1C ZINC000872101349 589870517 /nfs/dbraw/zinc/87/05/17/589870517.db2.gz LXXLHZZUIRZSJA-LBPRGKRZSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1cc(C)n(C)n1 ZINC000872103075 589871585 /nfs/dbraw/zinc/87/15/85/589871585.db2.gz WVQGDSMBJLQKOB-CYBMUJFWSA-N 0 3 249.402 3.372 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cc(C)n(C)n1 ZINC000872103077 589870735 /nfs/dbraw/zinc/87/07/35/589870735.db2.gz WVQGDSMBJLQKOB-ZDUSSCGKSA-N 0 3 249.402 3.372 20 30 BGEDHN C=CC[C@@H](C)[C@H](C)NCc1ncc(Cl)s1 ZINC000872115915 636570303 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/nfs/dbraw/zinc/20/91/89/590209189.db2.gz DAKDXIMEAGKDTK-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=C(C)C[N@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876528451 590209289 /nfs/dbraw/zinc/20/92/89/590209289.db2.gz PRJAYGCTAPIQIN-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=C(C)C[N@@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876528451 590209288 /nfs/dbraw/zinc/20/92/88/590209288.db2.gz PRJAYGCTAPIQIN-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN CSC(C)(C)CCN(CCC#N)CC(C)C ZINC000876529379 590209894 /nfs/dbraw/zinc/20/98/94/590209894.db2.gz HJGYGWNHANERSV-UHFFFAOYSA-N 0 3 242.432 3.390 20 30 BGEDHN CC(C)CN(CCC#N)CC1CCSCC1 ZINC000876529380 590209909 /nfs/dbraw/zinc/20/99/09/590209909.db2.gz HKAMINFRKALFQS-UHFFFAOYSA-N 0 3 240.416 3.001 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccco1 ZINC000876539366 590211758 /nfs/dbraw/zinc/21/17/58/590211758.db2.gz DNOGPVMBEQXISK-UHFFFAOYSA-N 0 3 219.328 3.295 20 30 BGEDHN Cc1cc([C@H]2CCCN2C[C@H](C)CCC#N)no1 ZINC000876592443 590219170 /nfs/dbraw/zinc/21/91/70/590219170.db2.gz PUGMWKOXJOZWQT-BXUZGUMPSA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@@H]2CCCN2C[C@@H](C)CCC#N)no1 ZINC000876592444 590219551 /nfs/dbraw/zinc/21/95/51/590219551.db2.gz PUGMWKOXJOZWQT-FZMZJTMJSA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@@H]2CCCN2C[C@H](C)CCC#N)no1 ZINC000876592445 590219482 /nfs/dbraw/zinc/21/94/82/590219482.db2.gz PUGMWKOXJOZWQT-RISCZKNCSA-N 0 3 247.342 3.060 20 30 BGEDHN Cc1cc([C@H]2CCCN2C[C@@H](C)CCC#N)no1 ZINC000876592446 590219188 /nfs/dbraw/zinc/21/91/88/590219188.db2.gz PUGMWKOXJOZWQT-SMDDNHRTSA-N 0 3 247.342 3.060 20 30 BGEDHN C=CC[N@@H+](Cc1c(C)cccc1[O-])C(C)C ZINC000876596647 590219950 /nfs/dbraw/zinc/21/99/50/590219950.db2.gz JEIQFULFJPWWCJ-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@H+](Cc1c(C)cccc1[O-])C(C)C ZINC000876596647 590219949 /nfs/dbraw/zinc/21/99/49/590219949.db2.gz JEIQFULFJPWWCJ-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876599499 590220544 /nfs/dbraw/zinc/22/05/44/590220544.db2.gz CLRSYPWPPROQRI-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CC[N@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876599499 590220543 /nfs/dbraw/zinc/22/05/43/590220543.db2.gz CLRSYPWPPROQRI-UHFFFAOYSA-N 0 3 219.328 3.097 20 30 BGEDHN C=CCN(Cc1ccc(C(F)F)nc1)C(C)C ZINC000876599609 590220421 /nfs/dbraw/zinc/22/04/21/590220421.db2.gz GNVPDXVXUDOJPC-UHFFFAOYSA-N 0 3 240.297 3.416 20 30 BGEDHN C=CCN(Cc1ccc2nccnc2c1)C(C)C ZINC000876599755 590220500 /nfs/dbraw/zinc/22/05/00/590220500.db2.gz KPDFATCLXDBBCV-UHFFFAOYSA-N 0 3 241.338 3.026 20 30 BGEDHN C#CCCCCCCN(CCC#N)C(C)C ZINC000876610887 590222069 /nfs/dbraw/zinc/22/20/69/590222069.db2.gz LMUXBRMBMXWKIC-UHFFFAOYSA-N 0 3 220.360 3.194 20 30 BGEDHN C#CCCCCCCN(C)Cc1c(C)noc1C ZINC000876611938 590221900 /nfs/dbraw/zinc/22/19/00/590221900.db2.gz WJODGNKFZVFKPY-UHFFFAOYSA-N 0 3 248.370 3.307 20 30 BGEDHN C#CCCCCCCN(CC)C[C@@H](C)C#N ZINC000876617746 590222470 /nfs/dbraw/zinc/22/24/70/590222470.db2.gz UNXPVZVUSNNSMU-AWEZNQCLSA-N 0 3 220.360 3.052 20 30 BGEDHN C#CCCCCCCN(CC)C[C@H](C)C#N ZINC000876617751 590222055 /nfs/dbraw/zinc/22/20/55/590222055.db2.gz UNXPVZVUSNNSMU-CQSZACIVSA-N 0 3 220.360 3.052 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccoc1 ZINC000876633805 590224199 /nfs/dbraw/zinc/22/41/99/590224199.db2.gz XVYCUVQPHKGOKH-UHFFFAOYSA-N 0 3 219.328 3.295 20 30 BGEDHN Cc1scc(CN2CCC(C#N)CC2)c1C ZINC000876654074 590226136 /nfs/dbraw/zinc/22/61/36/590226136.db2.gz YGMKHEMDKIJTRP-UHFFFAOYSA-N 0 3 234.368 3.101 20 30 BGEDHN CC1(CN(CCC#N)CC2CC2)CCCC1 ZINC000876691247 590231064 /nfs/dbraw/zinc/23/10/64/590231064.db2.gz GAGSLKSGNQJHBL-UHFFFAOYSA-N 0 3 220.360 3.192 20 30 BGEDHN C#CCCCCCCN(CCC#N)CC1CC1 ZINC000876692023 590230946 /nfs/dbraw/zinc/23/09/46/590230946.db2.gz WCBBNXBZBFAJGQ-UHFFFAOYSA-N 0 3 232.371 3.196 20 30 BGEDHN C[C@H](CCC#N)CN1CCc2c(F)cccc2C1 ZINC000876719524 590233323 /nfs/dbraw/zinc/23/33/23/590233323.db2.gz NIMXWODQQFBMEV-GFCCVEGCSA-N 0 3 246.329 3.124 20 30 BGEDHN C[C@@H](CCC#N)CN1CCc2c(F)cccc2C1 ZINC000876719525 590233417 /nfs/dbraw/zinc/23/34/17/590233417.db2.gz NIMXWODQQFBMEV-LBPRGKRZSA-N 0 3 246.329 3.124 20 30 BGEDHN C#CCCCCCCN(CC)Cc1ccccn1 ZINC000876726103 590233733 /nfs/dbraw/zinc/23/37/33/590233733.db2.gz VMWPRWBYMWXZGZ-UHFFFAOYSA-N 0 3 244.382 3.487 20 30 BGEDHN C=CC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876727591 590233388 /nfs/dbraw/zinc/23/33/88/590233388.db2.gz ONTRQIKHFQGUOF-UHFFFAOYSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CCCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876753417 590238065 /nfs/dbraw/zinc/23/80/65/590238065.db2.gz KHVJMROCRNTZJF-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876753417 590238064 /nfs/dbraw/zinc/23/80/64/590238064.db2.gz KHVJMROCRNTZJF-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876753476 590238339 /nfs/dbraw/zinc/23/83/39/590238339.db2.gz LFDGVIDIYAOVBU-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C=CCCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876753476 590238338 /nfs/dbraw/zinc/23/83/38/590238338.db2.gz LFDGVIDIYAOVBU-UHFFFAOYSA-N 0 3 219.328 3.099 20 30 BGEDHN C#CCCCCCCN(C)Cc1cccn1C ZINC000876757753 590238928 /nfs/dbraw/zinc/23/89/28/590238928.db2.gz DRYKSIMEOTZPOY-UHFFFAOYSA-N 0 3 232.371 3.041 20 30 BGEDHN C#CCCCCCCN(C)Cc1cccc(C)n1 ZINC000876762521 590238549 /nfs/dbraw/zinc/23/85/49/590238549.db2.gz IBJARMRCLQVYSP-UHFFFAOYSA-N 0 3 244.382 3.406 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccc[nH]1 ZINC000876790445 590241239 /nfs/dbraw/zinc/24/12/39/590241239.db2.gz HXUACCKQDQCEMM-UHFFFAOYSA-N 0 3 218.344 3.030 20 30 BGEDHN N#Cc1cnc(Cl)c(CNC2CCCCC2)c1 ZINC000876876736 590252548 /nfs/dbraw/zinc/25/25/48/590252548.db2.gz JJDALLIUHJDSSX-UHFFFAOYSA-N 0 3 249.745 3.029 20 30 BGEDHN N#Cc1cccc(CNC2CCCCCCC2)n1 ZINC000876886223 590253345 /nfs/dbraw/zinc/25/33/45/590253345.db2.gz SLOFNRAKOWEJIF-UHFFFAOYSA-N 0 3 243.354 3.156 20 30 BGEDHN C#CCCCCCCN[C@@H](C)c1ccccn1 ZINC000876887544 584887840 /nfs/dbraw/zinc/88/78/40/584887840.db2.gz ARFKLBWCPSHBFS-AWEZNQCLSA-N 0 3 230.355 3.316 20 30 BGEDHN C#CCCCCCCN[C@H](C)c1ccccn1 ZINC000876887545 584887853 /nfs/dbraw/zinc/88/78/53/584887853.db2.gz ARFKLBWCPSHBFS-CQSZACIVSA-N 0 3 230.355 3.316 20 30 BGEDHN CCCCCCCNCc1ccc(Cl)nn1 ZINC000876897046 590255255 /nfs/dbraw/zinc/25/52/55/590255255.db2.gz FOUDWNBNLQTPGB-UHFFFAOYSA-N 0 3 241.766 3.190 20 30 BGEDHN CC1(NCc2cc(C#N)cnc2Cl)CCCC1 ZINC000876898188 590255733 /nfs/dbraw/zinc/25/57/33/590255733.db2.gz JPBCCKFLCPCGFZ-UHFFFAOYSA-N 0 3 249.745 3.029 20 30 BGEDHN CCCCCCCNCc1cccc(C#N)n1 ZINC000876898549 590255685 /nfs/dbraw/zinc/25/56/85/590255685.db2.gz SOABCLRPPPXZFW-UHFFFAOYSA-N 0 3 231.343 3.013 20 30 BGEDHN CCCCCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000876904519 590255328 /nfs/dbraw/zinc/25/53/28/590255328.db2.gz CXIGUULCWHUTIV-CYBMUJFWSA-N 0 3 245.370 3.402 20 30 BGEDHN CCCCCC[C@H](C)NCc1cccc(C#N)n1 ZINC000876904520 590255466 /nfs/dbraw/zinc/25/54/66/590255466.db2.gz CXIGUULCWHUTIV-ZDUSSCGKSA-N 0 3 245.370 3.402 20 30 BGEDHN CCCCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000876905321 590256051 /nfs/dbraw/zinc/25/60/51/590256051.db2.gz FRXPTZRVMUZPGR-GFCCVEGCSA-N 0 3 231.343 3.012 20 30 BGEDHN CCCCC[C@H](C)NCc1cccc(C#N)n1 ZINC000876905322 590256002 /nfs/dbraw/zinc/25/60/02/590256002.db2.gz FRXPTZRVMUZPGR-LBPRGKRZSA-N 0 3 231.343 3.012 20 30 BGEDHN C#CCCCCCCNCc1csc(C)n1 ZINC000876913780 590256643 /nfs/dbraw/zinc/25/66/43/590256643.db2.gz LBEUKSOTDKOINL-UHFFFAOYSA-N 0 3 236.384 3.125 20 30 BGEDHN C#CCCCCCCNCc1nc(C)cs1 ZINC000876919543 584888099 /nfs/dbraw/zinc/88/80/99/584888099.db2.gz WSXVKZKNIMWERT-UHFFFAOYSA-N 0 3 236.384 3.125 20 30 BGEDHN C#CCCCCCCNCc1cccc(C)n1 ZINC000876935988 590258269 /nfs/dbraw/zinc/25/82/69/590258269.db2.gz FXUYEXZIHDFOTB-UHFFFAOYSA-N 0 3 230.355 3.063 20 30 BGEDHN C#CCCCCCCNCc1ccoc1C ZINC000876962413 590262015 /nfs/dbraw/zinc/26/20/15/590262015.db2.gz QYKAMBOBJLEWJX-UHFFFAOYSA-N 0 3 219.328 3.261 20 30 BGEDHN C#CCCCCCC[NH2+]Cc1ccccc1[O-] ZINC000876996065 590266977 /nfs/dbraw/zinc/26/69/77/590266977.db2.gz NDQQEIQQTXFMFA-UHFFFAOYSA-N 0 3 231.339 3.066 20 30 BGEDHN C#CCCCCCCNCC(=C)Br ZINC000877019675 590270178 /nfs/dbraw/zinc/27/01/78/590270178.db2.gz CEEFVLRETPADLY-UHFFFAOYSA-N 0 3 244.176 3.068 20 30 BGEDHN C#CCCCCCCNCc1cc(C(C)C)no1 ZINC000877031844 590271625 /nfs/dbraw/zinc/27/16/25/590271625.db2.gz VTWMWNKRVFGOPQ-UHFFFAOYSA-N 0 3 248.370 3.471 20 30 BGEDHN C#CCCCCCCNCc1ncc(C)s1 ZINC000877043221 590273365 /nfs/dbraw/zinc/27/33/65/590273365.db2.gz CRMAQBIPWWHRLA-UHFFFAOYSA-N 0 3 236.384 3.125 20 30 BGEDHN C=CC[C@H](NC[C@@H](CCC)OC)c1ccncc1 ZINC000877046191 590274043 /nfs/dbraw/zinc/27/40/43/590274043.db2.gz IMIGSFBIDLAASR-CABCVRRESA-N 0 3 248.370 3.104 20 30 BGEDHN C=CC[C@H](NC[C@H](CCC)OC)c1ccncc1 ZINC000877046193 590274143 /nfs/dbraw/zinc/27/41/43/590274143.db2.gz IMIGSFBIDLAASR-GJZGRUSLSA-N 0 3 248.370 3.104 20 30 BGEDHN C=CC[C@@H](NC[C@@H](CCC)OC)c1ccncc1 ZINC000877046195 590274003 /nfs/dbraw/zinc/27/40/03/590274003.db2.gz IMIGSFBIDLAASR-HUUCEWRRSA-N 0 3 248.370 3.104 20 30 BGEDHN C=CC[C@@H](NC[C@H](CCC)OC)c1ccncc1 ZINC000877046197 590273860 /nfs/dbraw/zinc/27/38/60/590273860.db2.gz IMIGSFBIDLAASR-LSDHHAIUSA-N 0 3 248.370 3.104 20 30 BGEDHN C#CCCCCCCNCc1ccn(C(C)C)n1 ZINC000877053407 590275227 /nfs/dbraw/zinc/27/52/27/590275227.db2.gz MCFXYMFQQOVHBS-UHFFFAOYSA-N 0 3 247.386 3.137 20 30 BGEDHN CCC1(NCc2cc(C#N)cnc2Cl)CCC1 ZINC000877080800 590279850 /nfs/dbraw/zinc/27/98/50/590279850.db2.gz USAYDAONUSXEEO-UHFFFAOYSA-N 0 3 249.745 3.029 20 30 BGEDHN C#CCCCCCCN[C@@H](COC)c1ccco1 ZINC000877081101 590280107 /nfs/dbraw/zinc/28/01/07/590280107.db2.gz UPEVNUJTZWTINP-AWEZNQCLSA-N 0 3 249.354 3.140 20 30 BGEDHN C#CCCCCCCN[C@H](COC)c1ccco1 ZINC000877081102 590279808 /nfs/dbraw/zinc/27/98/08/590279808.db2.gz UPEVNUJTZWTINP-CQSZACIVSA-N 0 3 249.354 3.140 20 30 BGEDHN C=C[C@@H](C)NCc1cc2c(ccnc2Cl)o1 ZINC000877087162 590280468 /nfs/dbraw/zinc/28/04/68/590280468.db2.gz GRLFOUZTVFMKQL-MRVPVSSYSA-N 0 3 236.702 3.145 20 30 BGEDHN C=C[C@H](C)NCc1cc2c(ccnc2Cl)o1 ZINC000877087163 590280653 /nfs/dbraw/zinc/28/06/53/590280653.db2.gz GRLFOUZTVFMKQL-QMMMGPOBSA-N 0 3 236.702 3.145 20 30 BGEDHN C#CC[C@H](N[C@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000877119105 590288489 /nfs/dbraw/zinc/28/84/89/590288489.db2.gz ANUUMPYMDNPIKJ-BNOWGMLFSA-N 0 3 249.304 3.384 20 30 BGEDHN C#CC[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000877119106 590288191 /nfs/dbraw/zinc/28/81/91/590288191.db2.gz ANUUMPYMDNPIKJ-UBHSHLNASA-N 0 3 249.304 3.384 20 30 BGEDHN C#CC[C@H](N[C@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000877119107 590288330 /nfs/dbraw/zinc/28/83/30/590288330.db2.gz ANUUMPYMDNPIKJ-XBFCOCLRSA-N 0 3 249.304 3.384 20 30 BGEDHN C#CC[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000877119108 590288359 /nfs/dbraw/zinc/28/83/59/590288359.db2.gz ANUUMPYMDNPIKJ-YUTCNCBUSA-N 0 3 249.304 3.384 20 30 BGEDHN C#CC[C@H](N[C@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000877119137 590288565 /nfs/dbraw/zinc/28/85/65/590288565.db2.gz BNGHJIWGMBZFLQ-CFVMTHIKSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000877119138 590288769 /nfs/dbraw/zinc/28/87/69/590288769.db2.gz BNGHJIWGMBZFLQ-QEJZJMRPSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000877119139 590288850 /nfs/dbraw/zinc/28/88/50/590288850.db2.gz BNGHJIWGMBZFLQ-SNPRPXQTSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@H](N[C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000877119140 590288731 /nfs/dbraw/zinc/28/87/31/590288731.db2.gz BNGHJIWGMBZFLQ-YUELXQCFSA-N 0 3 245.391 3.235 20 30 BGEDHN C#CC[C@@H](NC[C@](C)(CC)OC)c1ccccc1 ZINC000877120695 590289132 /nfs/dbraw/zinc/28/91/32/590289132.db2.gz TYQPHRNVLZKXDF-CVEARBPZSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@H](NC[C@](C)(CC)OC)c1ccccc1 ZINC000877120696 590289060 /nfs/dbraw/zinc/28/90/60/590289060.db2.gz TYQPHRNVLZKXDF-HOTGVXAUSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@@H](NC[C@@](C)(CC)OC)c1ccccc1 ZINC000877120697 590288777 /nfs/dbraw/zinc/28/87/77/590288777.db2.gz TYQPHRNVLZKXDF-HZPDHXFCSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@H](NC[C@@](C)(CC)OC)c1ccccc1 ZINC000877120698 590288944 /nfs/dbraw/zinc/28/89/44/590288944.db2.gz TYQPHRNVLZKXDF-JKSUJKDBSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@H](NC[C@@H](CCC)OC)c1ccccc1 ZINC000877120750 590289087 /nfs/dbraw/zinc/28/90/87/590289087.db2.gz UWTJHFQMCSMQTN-CVEARBPZSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@H](NC[C@H](CCC)OC)c1ccccc1 ZINC000877120751 590288790 /nfs/dbraw/zinc/28/87/90/590288790.db2.gz UWTJHFQMCSMQTN-HOTGVXAUSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@@H](NC[C@@H](CCC)OC)c1ccccc1 ZINC000877120752 590288746 /nfs/dbraw/zinc/28/87/46/590288746.db2.gz UWTJHFQMCSMQTN-HZPDHXFCSA-N 0 3 245.366 3.156 20 30 BGEDHN C#CC[C@@H](NC[C@H](CCC)OC)c1ccccc1 ZINC000877120753 590289075 /nfs/dbraw/zinc/28/90/75/590289075.db2.gz UWTJHFQMCSMQTN-JKSUJKDBSA-N 0 3 245.366 3.156 20 30 BGEDHN C=C(C)CN(C)Cc1cnc2c(F)cccc2c1 ZINC000877166103 590295046 /nfs/dbraw/zinc/29/50/46/590295046.db2.gz VQYWQIIQHSIMIE-UHFFFAOYSA-N 0 3 244.313 3.382 20 30 BGEDHN C#CCCCCCCN(C)Cc1cccnc1 ZINC000877167983 590295492 /nfs/dbraw/zinc/29/54/92/590295492.db2.gz BXQGAWLJEFEJDR-UHFFFAOYSA-N 0 3 230.355 3.097 20 30 BGEDHN C#CCCCCCCN1CCC(C)(C#N)CC1 ZINC000877181590 590298261 /nfs/dbraw/zinc/29/82/61/590298261.db2.gz DVHJJAOROUTYRU-UHFFFAOYSA-N 0 3 232.371 3.196 20 30 BGEDHN CSC(C)(C)CCN1CCC[C@](C)(C#N)C1 ZINC000877311533 590313235 /nfs/dbraw/zinc/31/32/35/590313235.db2.gz XUIAQXRLXKKPDP-CYBMUJFWSA-N 0 3 240.416 3.144 20 30 BGEDHN CSC(C)(C)CCN1CCC[C@@](C)(C#N)C1 ZINC000877311534 590313541 /nfs/dbraw/zinc/31/35/41/590313541.db2.gz XUIAQXRLXKKPDP-ZDUSSCGKSA-N 0 3 240.416 3.144 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccncc1 ZINC000877318339 590313833 /nfs/dbraw/zinc/31/38/33/590313833.db2.gz XWNZRKYDNYKCOL-UHFFFAOYSA-N 0 3 230.355 3.097 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccccn1 ZINC000877319125 590314500 /nfs/dbraw/zinc/31/45/00/590314500.db2.gz OCSJVCQGLFRGGO-UHFFFAOYSA-N 0 3 230.355 3.097 20 30 BGEDHN Cc1cccc(C[C@@H](C)NCC(C)(C)C#N)c1 ZINC000877323592 590317435 /nfs/dbraw/zinc/31/74/35/590317435.db2.gz UCOBJUMVBALWLV-CYBMUJFWSA-N 0 3 230.355 3.065 20 30 BGEDHN Cc1cccc(C[C@H](C)NCC(C)(C)C#N)c1 ZINC000877323593 590316989 /nfs/dbraw/zinc/31/69/89/590316989.db2.gz UCOBJUMVBALWLV-ZDUSSCGKSA-N 0 3 230.355 3.065 20 30 BGEDHN CC[C@H](CC#N)N[C@@H](C)Cc1cccc(C)c1 ZINC000877363939 590319482 /nfs/dbraw/zinc/31/94/82/590319482.db2.gz JMSXOENQORXWPG-DZGCQCFKSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@@H](CC#N)N[C@H](C)Cc1cccc(C)c1 ZINC000877363940 590319527 /nfs/dbraw/zinc/31/95/27/590319527.db2.gz JMSXOENQORXWPG-HIFRSBDPSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@H](CC#N)N[C@H](C)Cc1cccc(C)c1 ZINC000877363941 590319432 /nfs/dbraw/zinc/31/94/32/590319432.db2.gz JMSXOENQORXWPG-UKRRQHHQSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1cccc(C)c1 ZINC000877363942 590319413 /nfs/dbraw/zinc/31/94/13/590319413.db2.gz JMSXOENQORXWPG-ZFWWWQNUSA-N 0 3 230.355 3.208 20 30 BGEDHN CC[C@@H](CC#N)NCCc1cc(C)cc(C)c1 ZINC000877364294 590319514 /nfs/dbraw/zinc/31/95/14/590319514.db2.gz LHDQVYSDAGHSCC-HNNXBMFYSA-N 0 3 230.355 3.128 20 30 BGEDHN CC[C@H](CC#N)NCCc1cc(C)cc(C)c1 ZINC000877364295 590317709 /nfs/dbraw/zinc/31/77/09/590317709.db2.gz LHDQVYSDAGHSCC-OAHLLOKOSA-N 0 3 230.355 3.128 20 30 BGEDHN C=CCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877397954 590322918 /nfs/dbraw/zinc/32/29/18/590322918.db2.gz BRBJJRRWDVXSKK-UHFFFAOYSA-N 0 3 219.328 3.147 20 30 BGEDHN C=CCCCCNCc1nc(Cl)cs1 ZINC000877398745 590323302 /nfs/dbraw/zinc/32/33/02/590323302.db2.gz HPJOPXLMNBAZEC-UHFFFAOYSA-N 0 3 230.764 3.242 20 30 BGEDHN C=CCCCCNCc1cc(C#N)cnc1Cl ZINC000877399191 590322978 /nfs/dbraw/zinc/32/29/78/590322978.db2.gz LTBOCHHZKMWBGL-UHFFFAOYSA-N 0 3 249.745 3.053 20 30 BGEDHN C=CCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877400742 590323747 /nfs/dbraw/zinc/32/37/47/590323747.db2.gz WGMGHAHNCZRVRB-UHFFFAOYSA-N 0 3 219.328 3.147 20 30 BGEDHN C=CCN(C)Cc1cc2c(ccnc2Cl)o1 ZINC000877426704 590325351 /nfs/dbraw/zinc/32/53/51/590325351.db2.gz QESBGYZMMMBZDL-UHFFFAOYSA-N 0 3 236.702 3.099 20 30 BGEDHN C#CCCCCCCN(C)Cc1ccc(C)cn1 ZINC000877469032 590333193 /nfs/dbraw/zinc/33/31/93/590333193.db2.gz QBIFOIFHGZYBCP-UHFFFAOYSA-N 0 3 244.382 3.406 20 30 BGEDHN CC(C)=CCCNCc1cc(C#N)cnc1Cl ZINC000877472734 590335314 /nfs/dbraw/zinc/33/53/14/590335314.db2.gz ZQKGWEVWNIANRU-UHFFFAOYSA-N 0 3 249.745 3.053 20 30 BGEDHN CC1=C(C)C[C@H]([C@@H](C)NCCC#N)CC1 ZINC000877483570 590338083 /nfs/dbraw/zinc/33/80/83/590338083.db2.gz NYEOESXLQBIVGZ-CHWSQXEVSA-N 0 3 206.333 3.015 20 30 BGEDHN CC1=C(C)C[C@@H]([C@@H](C)NCCC#N)CC1 ZINC000877483571 590337771 /nfs/dbraw/zinc/33/77/71/590337771.db2.gz NYEOESXLQBIVGZ-OLZOCXBDSA-N 0 3 206.333 3.015 20 30 BGEDHN CC1=C(C)C[C@H]([C@H](C)NCCC#N)CC1 ZINC000877483572 590338027 /nfs/dbraw/zinc/33/80/27/590338027.db2.gz NYEOESXLQBIVGZ-QWHCGFSZSA-N 0 3 206.333 3.015 20 30 BGEDHN CC1=C(C)C[C@@H]([C@H](C)NCCC#N)CC1 ZINC000877483573 590338124 /nfs/dbraw/zinc/33/81/24/590338124.db2.gz NYEOESXLQBIVGZ-STQMWFEESA-N 0 3 206.333 3.015 20 30 BGEDHN C#CCCCCCCN(C)Cc1cnccc1C ZINC000877491321 590339556 /nfs/dbraw/zinc/33/95/56/590339556.db2.gz IRVIAKNWRVPFNP-UHFFFAOYSA-N 0 3 244.382 3.406 20 30 BGEDHN C#CCCCCCCN1CCC(F)(F)CC1 ZINC000877492948 590339657 /nfs/dbraw/zinc/33/96/57/590339657.db2.gz YRMRGHGBOYKULH-UHFFFAOYSA-N 0 3 229.314 3.301 20 30 BGEDHN C=CC[C@@H](CC)NCc1nc(Cl)cs1 ZINC000877497005 645799334 /nfs/dbraw/zinc/79/93/34/645799334.db2.gz AZXPQYWRJWOVQH-MRVPVSSYSA-N 0 3 230.764 3.241 20 30 BGEDHN C=CC[C@H](CC)NCc1nc(Cl)cs1 ZINC000877497006 645799595 /nfs/dbraw/zinc/79/95/95/645799595.db2.gz AZXPQYWRJWOVQH-QMMMGPOBSA-N 0 3 230.764 3.241 20 30 BGEDHN C=CC[C@@H](CC)NCc1cc(C#N)cnc1Cl ZINC000877497029 645799469 /nfs/dbraw/zinc/79/94/69/645799469.db2.gz BZHBJFLFTNMOOZ-GFCCVEGCSA-N 0 3 249.745 3.051 20 30 BGEDHN C=CC[C@H](CC)NCc1cc(C#N)cnc1Cl ZINC000877497030 645799548 /nfs/dbraw/zinc/79/95/48/645799548.db2.gz BZHBJFLFTNMOOZ-LBPRGKRZSA-N 0 3 249.745 3.051 20 30 BGEDHN C=CC[C@@H](CC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877497393 590341721 /nfs/dbraw/zinc/34/17/21/590341721.db2.gz OZNUWOONTOKHET-CYBMUJFWSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CC[C@H](CC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877497394 590341324 /nfs/dbraw/zinc/34/13/24/590341324.db2.gz OZNUWOONTOKHET-ZDUSSCGKSA-N 0 3 219.328 3.145 20 30 BGEDHN C=CCCCCCCNCc1cccc(C#N)n1 ZINC000877523187 583322554 /nfs/dbraw/zinc/32/25/54/583322554.db2.gz UUKPRFRAYIQSMR-UHFFFAOYSA-N 0 3 243.354 3.179 20 30 BGEDHN C#CCCCCCCN(CC)Cc1ccncc1 ZINC000877523998 590346619 /nfs/dbraw/zinc/34/66/19/590346619.db2.gz PHCUGGIZQZGNLT-UHFFFAOYSA-N 0 3 244.382 3.487 20 30 BGEDHN C#CCN(Cc1ccccc1)C[C@@H](C)CCC#N ZINC000877524105 590346533 /nfs/dbraw/zinc/34/65/33/590346533.db2.gz RCLDBDSUCOULRN-HNNXBMFYSA-N 0 3 240.350 3.062 20 30 BGEDHN C#CCN(Cc1ccccc1)C[C@H](C)CCC#N ZINC000877524106 590346859 /nfs/dbraw/zinc/34/68/59/590346859.db2.gz RCLDBDSUCOULRN-OAHLLOKOSA-N 0 3 240.350 3.062 20 30 BGEDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)CCC#N ZINC000877529895 583323435 /nfs/dbraw/zinc/32/34/35/583323435.db2.gz NYUAOUQKCZZTRD-UHFFFAOYSA-N 0 3 246.354 3.120 20 30 BGEDHN Cc1ccc(C[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC000877530115 590349117 /nfs/dbraw/zinc/34/91/17/590349117.db2.gz QPEAJQUNYPDALU-UHFFFAOYSA-N 0 3 246.354 3.120 20 30 BGEDHN C#C[C@H](NC[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543481 590351855 /nfs/dbraw/zinc/35/18/55/590351855.db2.gz BSIBHBLGUDKVDE-DOMZBBRYSA-N 0 3 244.313 3.029 20 30 BGEDHN C#C[C@@H](NC[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543482 590351940 /nfs/dbraw/zinc/35/19/40/590351940.db2.gz BSIBHBLGUDKVDE-IUODEOHRSA-N 0 3 244.313 3.029 20 30 BGEDHN C#C[C@@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543483 590351933 /nfs/dbraw/zinc/35/19/33/590351933.db2.gz BSIBHBLGUDKVDE-SWLSCSKDSA-N 0 3 244.313 3.029 20 30 BGEDHN C#C[C@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543484 590352199 /nfs/dbraw/zinc/35/21/99/590352199.db2.gz BSIBHBLGUDKVDE-WFASDCNBSA-N 0 3 244.313 3.029 20 30 BGEDHN C#CCCCCCCNCc1occc1C ZINC000877547529 590354040 /nfs/dbraw/zinc/35/40/40/590354040.db2.gz ZNPKUUQBLXLGBF-UHFFFAOYSA-N 0 3 219.328 3.261 20 30 BGEDHN C#CCCCCCCNCc1oc(CC)nc1C ZINC000877547754 590354667 /nfs/dbraw/zinc/35/46/67/590354667.db2.gz JIEDINQISKPAKD-UHFFFAOYSA-N 0 3 248.370 3.219 20 30 BGEDHN C#CCCCCCCN(C)CC(C)(C)C#N ZINC000877548736 590354285 /nfs/dbraw/zinc/35/42/85/590354285.db2.gz ABLJUEYMLWTXFW-UHFFFAOYSA-N 0 3 220.360 3.052 20 30 BGEDHN C=CCC(C)(C)CNCc1nc(Cl)cs1 ZINC000877549340 590354383 /nfs/dbraw/zinc/35/43/83/590354383.db2.gz KTOPRTSJABRHJG-UHFFFAOYSA-N 0 3 244.791 3.488 20 30 BGEDHN CN(CC(C)(C)C#N)CC1(C)CCCC1 ZINC000877549475 590354765 /nfs/dbraw/zinc/35/47/65/590354765.db2.gz CZCHOKLSMHDISB-UHFFFAOYSA-N 0 3 208.349 3.048 20 30 BGEDHN C#CCCCCCCNCc1c(C)onc1CC ZINC000877550637 590354120 /nfs/dbraw/zinc/35/41/20/590354120.db2.gz KQQAKXVYJAIXKL-UHFFFAOYSA-N 0 3 248.370 3.219 20 30 BGEDHN C#CCCCCCCN(C)Cc1conc1CC ZINC000877551782 590355876 /nfs/dbraw/zinc/35/58/76/590355876.db2.gz CCHKQRFIFZWANB-UHFFFAOYSA-N 0 3 248.370 3.253 20 30 BGEDHN C=CC(C)(C)CNCc1nc(Cl)cs1 ZINC000877565378 590360620 /nfs/dbraw/zinc/36/06/20/590360620.db2.gz GHAOAXCXYCNTCF-UHFFFAOYSA-N 0 3 230.764 3.098 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877565522 590361117 /nfs/dbraw/zinc/36/11/17/590361117.db2.gz IBSBDADZUSUVNE-UHFFFAOYSA-N 0 3 219.328 3.002 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877565601 590361357 /nfs/dbraw/zinc/36/13/57/590361357.db2.gz KPZHLZWHXOZZHT-UHFFFAOYSA-N 0 3 219.328 3.002 20 30 BGEDHN N#Cc1cccc(CN2CCCCCCCC2)n1 ZINC000877569476 590361675 /nfs/dbraw/zinc/36/16/75/590361675.db2.gz RHTHSUNLYIPMLF-UHFFFAOYSA-N 0 3 243.354 3.109 20 30 BGEDHN C#CCCCCCCN[C@@H](C)c1nccn1CC ZINC000877570538 590362319 /nfs/dbraw/zinc/36/23/19/590362319.db2.gz OLJYONXGXMDSCT-AWEZNQCLSA-N 0 3 247.386 3.137 20 30 BGEDHN C#CCCCCCCN[C@H](C)c1nccn1CC ZINC000877570539 590361467 /nfs/dbraw/zinc/36/14/67/590361467.db2.gz OLJYONXGXMDSCT-CQSZACIVSA-N 0 3 247.386 3.137 20 30 BGEDHN C#CCCCCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000877570757 590362093 /nfs/dbraw/zinc/36/20/93/590362093.db2.gz SAPMTEBYOOEWBE-KBPBESRZSA-N 0 3 245.370 3.062 20 30 BGEDHN C#CCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000877570758 590362207 /nfs/dbraw/zinc/36/22/07/590362207.db2.gz SAPMTEBYOOEWBE-KGLIPLIRSA-N 0 3 245.370 3.062 20 30 BGEDHN C#CCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000877570759 590361970 /nfs/dbraw/zinc/36/19/70/590361970.db2.gz SAPMTEBYOOEWBE-UONOGXRCSA-N 0 3 245.370 3.062 20 30 BGEDHN C#CCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000877570760 590361936 /nfs/dbraw/zinc/36/19/36/590361936.db2.gz SAPMTEBYOOEWBE-ZIAGYGMSSA-N 0 3 245.370 3.062 20 30 BGEDHN C#CCCCCCCNCc1cnc(CCC)o1 ZINC000877572773 590362862 /nfs/dbraw/zinc/36/28/62/590362862.db2.gz KTWQFTCADZBKNE-UHFFFAOYSA-N 0 3 248.370 3.300 20 30 BGEDHN C#CCCCCCCN1CC(CC(F)(F)F)C1 ZINC000877580449 590364357 /nfs/dbraw/zinc/36/43/57/590364357.db2.gz LGZFCSVDYUWGPI-UHFFFAOYSA-N 0 3 247.304 3.454 20 30 BGEDHN C#CCCCCCCN1CC2(CC(F)C2)C1 ZINC000877581104 590366095 /nfs/dbraw/zinc/36/60/95/590366095.db2.gz NONJFYUROAICPR-UHFFFAOYSA-N 0 3 223.335 3.004 20 30 BGEDHN C#CCCCCCCNCc1ccc(C)c(C)n1 ZINC000877583158 590366977 /nfs/dbraw/zinc/36/69/77/590366977.db2.gz FKJRJPNUDLRTMI-UHFFFAOYSA-N 0 3 244.382 3.372 20 30 BGEDHN Cc1cc(C)cc(CCNCC2(C#N)CCC2)c1 ZINC000877594161 590369985 /nfs/dbraw/zinc/36/99/85/590369985.db2.gz NPOSPFSERITIIG-UHFFFAOYSA-N 0 3 242.366 3.129 20 30 BGEDHN Cc1cccc(C[C@H](C)NCC2(C#N)CCC2)c1 ZINC000877594714 590370104 /nfs/dbraw/zinc/37/01/04/590370104.db2.gz JIRHBRDZRFTDQI-AWEZNQCLSA-N 0 3 242.366 3.210 20 30 BGEDHN Cc1cccc(C[C@@H](C)NCC2(C#N)CCC2)c1 ZINC000877594716 590370180 /nfs/dbraw/zinc/37/01/80/590370180.db2.gz JIRHBRDZRFTDQI-CQSZACIVSA-N 0 3 242.366 3.210 20 30 BGEDHN C#CCCCCCCN1CC(CC(F)F)C1 ZINC000877599135 590371282 /nfs/dbraw/zinc/37/12/82/590371282.db2.gz QJQHABCTMYDAJK-UHFFFAOYSA-N 0 3 229.314 3.157 20 30 BGEDHN CSC(C)(C)CCNCC1(C#N)CCCC1 ZINC000877609098 590373072 /nfs/dbraw/zinc/37/30/72/590373072.db2.gz GHKCUUSVVIYTGW-UHFFFAOYSA-N 0 3 240.416 3.192 20 30 BGEDHN C#CCCCCCCNCC1(C#N)CCCC1 ZINC000877609117 590372248 /nfs/dbraw/zinc/37/22/48/590372248.db2.gz HTQANZMSHKKRRB-UHFFFAOYSA-N 0 3 232.371 3.244 20 30 BGEDHN C#CCCCCCCN1CCC[C@@H](F)C1 ZINC000877616298 590375292 /nfs/dbraw/zinc/37/52/92/590375292.db2.gz IKHFQJAUSKPOTJ-CYBMUJFWSA-N 0 3 211.324 3.004 20 30 BGEDHN C#CCCCCCCN1CCC[C@H](F)C1 ZINC000877616299 590375105 /nfs/dbraw/zinc/37/51/05/590375105.db2.gz IKHFQJAUSKPOTJ-ZDUSSCGKSA-N 0 3 211.324 3.004 20 30 BGEDHN C=CCCNCc1cc2c(ccnc2Cl)o1 ZINC000877623643 590376649 /nfs/dbraw/zinc/37/66/49/590376649.db2.gz VUYMKFFNJMMOGW-UHFFFAOYSA-N 0 3 236.702 3.147 20 30 BGEDHN C#CCCCCCCN[C@H](C)c1cscn1 ZINC000877625408 590375795 /nfs/dbraw/zinc/37/57/95/590375795.db2.gz NQDNXLQCWBQCLQ-GFCCVEGCSA-N 0 3 236.384 3.377 20 30 BGEDHN C#CCCCCCCN[C@@H](C)c1cscn1 ZINC000877625409 590376263 /nfs/dbraw/zinc/37/62/63/590376263.db2.gz NQDNXLQCWBQCLQ-LBPRGKRZSA-N 0 3 236.384 3.377 20 30 BGEDHN C=CC(C)(C)CCNCc1nc(Cl)cs1 ZINC000877648028 590384136 /nfs/dbraw/zinc/38/41/36/590384136.db2.gz KYZWYPITUFOXTD-UHFFFAOYSA-N 0 3 244.791 3.488 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877650796 583341931 /nfs/dbraw/zinc/34/19/31/583341931.db2.gz UMPHDJVNKPYSMJ-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877650796 583341928 /nfs/dbraw/zinc/34/19/28/583341928.db2.gz UMPHDJVNKPYSMJ-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877650815 583341832 /nfs/dbraw/zinc/34/18/32/583341832.db2.gz UMPHDJVNKPYSMJ-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877650815 583341830 /nfs/dbraw/zinc/34/18/30/583341830.db2.gz UMPHDJVNKPYSMJ-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877651684 590384876 /nfs/dbraw/zinc/38/48/76/590384876.db2.gz ZYUUUCOBDLOHCQ-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877651684 590384873 /nfs/dbraw/zinc/38/48/73/590384873.db2.gz ZYUUUCOBDLOHCQ-CYBMUJFWSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877651685 590385153 /nfs/dbraw/zinc/38/51/53/590385153.db2.gz ZYUUUCOBDLOHCQ-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C=CC[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877651685 590385150 /nfs/dbraw/zinc/38/51/50/590385150.db2.gz ZYUUUCOBDLOHCQ-ZDUSSCGKSA-N 0 3 231.339 3.099 20 30 BGEDHN C#CCCCCCCN[C@H](C)c1ccns1 ZINC000877659035 590385803 /nfs/dbraw/zinc/38/58/03/590385803.db2.gz HKXCISLUDQVOOG-GFCCVEGCSA-N 0 3 236.384 3.377 20 30 BGEDHN C#CCCCCCCN[C@@H](C)c1ccns1 ZINC000877659036 590386405 /nfs/dbraw/zinc/38/64/05/590386405.db2.gz HKXCISLUDQVOOG-LBPRGKRZSA-N 0 3 236.384 3.377 20 30 BGEDHN C=CCCCCC[C@@H](C)NCc1ncc[nH]1 ZINC000877672508 590389546 /nfs/dbraw/zinc/38/95/46/590389546.db2.gz GFTVJZILBBTENT-GFCCVEGCSA-N 0 3 221.348 3.024 20 30 BGEDHN C=CCCCCC[C@H](C)NCc1ncc[nH]1 ZINC000877672509 590389087 /nfs/dbraw/zinc/38/90/87/590389087.db2.gz GFTVJZILBBTENT-LBPRGKRZSA-N 0 3 221.348 3.024 20 30 BGEDHN CC(C)(CCC#N)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703067 590396053 /nfs/dbraw/zinc/39/60/53/590396053.db2.gz PWZSJNLEPMRYFU-UHFFFAOYSA-N 0 3 244.338 3.038 20 30 BGEDHN CC(C)(CCC#N)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703067 590396050 /nfs/dbraw/zinc/39/60/50/590396050.db2.gz PWZSJNLEPMRYFU-UHFFFAOYSA-N 0 3 244.338 3.038 20 30 BGEDHN C#CCCCCCC[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703109 590395743 /nfs/dbraw/zinc/39/57/43/590395743.db2.gz RRTGVBBTNPQPKT-UHFFFAOYSA-N 0 3 243.350 3.292 20 30 BGEDHN C#CCCCCCC[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703109 590395740 /nfs/dbraw/zinc/39/57/40/590395740.db2.gz RRTGVBBTNPQPKT-UHFFFAOYSA-N 0 3 243.350 3.292 20 30 BGEDHN N#Cc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)s1 ZINC000877719284 590400375 /nfs/dbraw/zinc/40/03/75/590400375.db2.gz TXCBLLHBPQHOCO-TXEJJXNPSA-N 0 3 244.363 3.018 20 30 BGEDHN C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1[O-] ZINC000877755805 590417858 /nfs/dbraw/zinc/41/78/58/590417858.db2.gz NOIQKNIHLINVOV-AGIUHOORSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1[O-] ZINC000877755809 590417821 /nfs/dbraw/zinc/41/78/21/590417821.db2.gz NOIQKNIHLINVOV-FRRDWIJNSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1[O-] ZINC000877755811 590417695 /nfs/dbraw/zinc/41/76/95/590417695.db2.gz NOIQKNIHLINVOV-JHJVBQTASA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1[O-] ZINC000877755812 590417815 /nfs/dbraw/zinc/41/78/15/590417815.db2.gz NOIQKNIHLINVOV-UPJWGTAASA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1[O-] ZINC000877755902 590418016 /nfs/dbraw/zinc/41/80/16/590418016.db2.gz SBYYVCGPPWAWMY-PNESKVBLSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1[O-] ZINC000877757200 590418207 /nfs/dbraw/zinc/41/82/07/590418207.db2.gz NOIQKNIHLINVOV-AVGNSLFASA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1[O-] ZINC000877757201 590417956 /nfs/dbraw/zinc/41/79/56/590417956.db2.gz NOIQKNIHLINVOV-RWMBFGLXSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1[O-] ZINC000877757202 590417878 /nfs/dbraw/zinc/41/78/78/590417878.db2.gz NOIQKNIHLINVOV-XQQFMLRXSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1[O-] ZINC000877757203 590417797 /nfs/dbraw/zinc/41/77/97/590417797.db2.gz NOIQKNIHLINVOV-YNEHKIRRSA-N 0 3 244.338 3.125 20 30 BGEDHN C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1[O-] ZINC000877758301 590418608 /nfs/dbraw/zinc/41/86/08/590418608.db2.gz SBYYVCGPPWAWMY-HIFPTAJRSA-N 0 3 244.338 3.125 20 30 BGEDHN C=CC(C)(C)CCCNCc1cccc(C#N)n1 ZINC000877804118 590424870 /nfs/dbraw/zinc/42/48/70/590424870.db2.gz OGPRIEIXSNOJHI-UHFFFAOYSA-N 0 3 243.354 3.035 20 30 BGEDHN C=CC(C)(C)CCCNCc1oc(C)nc1C ZINC000877804396 590425210 /nfs/dbraw/zinc/42/52/10/590425210.db2.gz VMAPUNCFAFYQBY-UHFFFAOYSA-N 0 3 236.359 3.373 20 30 BGEDHN C=CC(C)(C)CCCNCc1cnc(C)o1 ZINC000877804414 590426000 /nfs/dbraw/zinc/42/60/00/590426000.db2.gz VZWUDOXVAOOUEQ-UHFFFAOYSA-N 0 3 222.332 3.065 20 30 BGEDHN C=CC(C)(C)CCCNCc1ccns1 ZINC000877804476 590425864 /nfs/dbraw/zinc/42/58/64/590425864.db2.gz XUCMYUZDXIAYOP-UHFFFAOYSA-N 0 3 224.373 3.225 20 30 BGEDHN C#CCCCCCCN[C@H](C)c1nccnc1C ZINC000877828078 590428854 /nfs/dbraw/zinc/42/88/54/590428854.db2.gz FMCACDONNPQXDR-CYBMUJFWSA-N 0 3 245.370 3.019 20 30 BGEDHN C#CCCCCCCN[C@@H](C)c1nccnc1C ZINC000877828079 590429094 /nfs/dbraw/zinc/42/90/94/590429094.db2.gz FMCACDONNPQXDR-ZDUSSCGKSA-N 0 3 245.370 3.019 20 30 BGEDHN C#CCCCCCN1CCC[C@H]1c1cc(C)on1 ZINC000877922485 590448312 /nfs/dbraw/zinc/44/83/12/590448312.db2.gz SMBJQVCFRYCDKF-HNNXBMFYSA-N 0 3 246.354 3.314 20 30 BGEDHN C#CCCCCCN1CCC[C@@H]1c1cc(C)on1 ZINC000877922486 590448081 /nfs/dbraw/zinc/44/80/81/590448081.db2.gz SMBJQVCFRYCDKF-OAHLLOKOSA-N 0 3 246.354 3.314 20 30 BGEDHN C=CC[C@H](C)N1CCc2sccc2C1 ZINC000877925776 590449146 /nfs/dbraw/zinc/44/91/46/590449146.db2.gz LAFJORCLIZUUPX-JTQLQIEISA-N 0 3 207.342 3.071 20 30 BGEDHN C=CC[C@@H](C)N1CCc2sccc2C1 ZINC000877925777 590449406 /nfs/dbraw/zinc/44/94/06/590449406.db2.gz LAFJORCLIZUUPX-SNVBAGLBSA-N 0 3 207.342 3.071 20 30 BGEDHN C=CC[C@@H](C)N(C)Cc1ccccc1OC ZINC000877933820 590450915 /nfs/dbraw/zinc/45/09/15/590450915.db2.gz ZWCITSQFPKGZCO-GFCCVEGCSA-N 0 3 219.328 3.092 20 30 BGEDHN C=CC[C@H](C)N(C)Cc1ccccc1OC ZINC000877933821 590451071 /nfs/dbraw/zinc/45/10/71/590451071.db2.gz ZWCITSQFPKGZCO-LBPRGKRZSA-N 0 3 219.328 3.092 20 30 BGEDHN C=CC[C@@H](C)N(C)Cc1ccc(OC)cc1OC ZINC000877933879 590451031 /nfs/dbraw/zinc/45/10/31/590451031.db2.gz UIUCRPUNJVIIHH-GFCCVEGCSA-N 0 3 249.354 3.100 20 30 BGEDHN C=CC[C@H](C)N(C)Cc1ccc(OC)cc1OC ZINC000877933880 590450910 /nfs/dbraw/zinc/45/09/10/590450910.db2.gz UIUCRPUNJVIIHH-LBPRGKRZSA-N 0 3 249.354 3.100 20 30 BGEDHN C=C(C)CN(CC)Cc1ccc(C)c(Cl)n1 ZINC000877935685 590452313 /nfs/dbraw/zinc/45/23/13/590452313.db2.gz NFHASNCCKCAVFX-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN C[C@@H]1CN(CC2(CC#N)CC2)Cc2ccccc21 ZINC000877937137 590453506 /nfs/dbraw/zinc/45/35/06/590453506.db2.gz IHCMLQQKHAJYSA-CYBMUJFWSA-N 0 3 240.350 3.300 20 30 BGEDHN C[C@H]1CN(CC2(CC#N)CC2)Cc2ccccc21 ZINC000877937138 590453463 /nfs/dbraw/zinc/45/34/63/590453463.db2.gz IHCMLQQKHAJYSA-ZDUSSCGKSA-N 0 3 240.350 3.300 20 30 BGEDHN C#CCCCCCN1CCC[C@H]1c1cc(C)no1 ZINC000877970698 590462012 /nfs/dbraw/zinc/46/20/12/590462012.db2.gz BCDZVPCGBRQQPM-AWEZNQCLSA-N 0 3 246.354 3.314 20 30 BGEDHN C#CCCCCCN1CCC[C@@H]1c1cc(C)no1 ZINC000877970700 590461883 /nfs/dbraw/zinc/46/18/83/590461883.db2.gz BCDZVPCGBRQQPM-CQSZACIVSA-N 0 3 246.354 3.314 20 30 BGEDHN C=CCN(Cc1ccc(C)c(Cl)n1)C(C)C ZINC000877974981 583355441 /nfs/dbraw/zinc/35/54/41/583355441.db2.gz ABSWNMDDYBPETM-UHFFFAOYSA-N 0 3 238.762 3.440 20 30 BGEDHN C=CCN(Cc1c(C)cc(C)nc1C)C(C)C ZINC000877977200 590464089 /nfs/dbraw/zinc/46/40/89/590464089.db2.gz VDDXXVBNIFNZIC-UHFFFAOYSA-N 0 3 232.371 3.403 20 30 BGEDHN N#CC1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878015759 590471918 /nfs/dbraw/zinc/47/19/18/590471918.db2.gz CJIYYNSRBJRXMF-GFCCVEGCSA-N 0 3 242.313 3.047 20 30 BGEDHN N#CC1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878015761 583357797 /nfs/dbraw/zinc/35/77/97/583357797.db2.gz CJIYYNSRBJRXMF-LBPRGKRZSA-N 0 3 242.313 3.047 20 30 BGEDHN CC(C)(C)SCCCN1CCC(C#N)CC1 ZINC000878016841 590472722 /nfs/dbraw/zinc/47/27/22/590472722.db2.gz YRUGSLMDRAFWOU-UHFFFAOYSA-N 0 3 240.416 3.144 20 30 BGEDHN CCN(CC[C@@H]1CCCC1(F)F)C[C@H](C)C#N ZINC000878019881 590472939 /nfs/dbraw/zinc/47/29/39/590472939.db2.gz CMPCUZRMWQHCOX-NEPJUHHUSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(CC[C@H]1CCCC1(F)F)C[C@@H](C)C#N ZINC000878019885 590472949 /nfs/dbraw/zinc/47/29/49/590472949.db2.gz CMPCUZRMWQHCOX-NWDGAFQWSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(CC[C@@H]1CCCC1(F)F)C[C@@H](C)C#N ZINC000878019886 590472942 /nfs/dbraw/zinc/47/29/42/590472942.db2.gz CMPCUZRMWQHCOX-RYUDHWBXSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(CC[C@H]1CCCC1(F)F)C[C@H](C)C#N ZINC000878019888 590472970 /nfs/dbraw/zinc/47/29/70/590472970.db2.gz CMPCUZRMWQHCOX-VXGBXAGGSA-N 0 3 244.329 3.293 20 30 BGEDHN CCN(C[C@H](C)C#N)CC1CC2(CCC2)C1 ZINC000878022322 590472663 /nfs/dbraw/zinc/47/26/63/590472663.db2.gz ZBHRNWQVMQATNP-GFCCVEGCSA-N 0 3 220.360 3.048 20 30 BGEDHN CCN(C[C@@H](C)C#N)CC1CC2(CCC2)C1 ZINC000878022323 590474115 /nfs/dbraw/zinc/47/41/15/590474115.db2.gz ZBHRNWQVMQATNP-LBPRGKRZSA-N 0 3 220.360 3.048 20 30 BGEDHN C=CC[C@H](C)N(C)C[C@@H]1OCCc2ccccc21 ZINC000878034329 590475611 /nfs/dbraw/zinc/47/56/11/590475611.db2.gz MEVBOOKYJSLNLG-BBRMVZONSA-N 0 3 245.366 3.197 20 30 BGEDHN C=CC[C@@H](C)N(C)C[C@@H]1OCCc2ccccc21 ZINC000878034330 590475622 /nfs/dbraw/zinc/47/56/22/590475622.db2.gz MEVBOOKYJSLNLG-CJNGLKHVSA-N 0 3 245.366 3.197 20 30 BGEDHN C=CC[C@@H](C)N(C)C[C@H]1OCCc2ccccc21 ZINC000878034331 590476107 /nfs/dbraw/zinc/47/61/07/590476107.db2.gz MEVBOOKYJSLNLG-CZUORRHYSA-N 0 3 245.366 3.197 20 30 BGEDHN C=CC[C@H](C)N(C)C[C@H]1OCCc2ccccc21 ZINC000878034332 590475548 /nfs/dbraw/zinc/47/55/48/590475548.db2.gz MEVBOOKYJSLNLG-XJKSGUPXSA-N 0 3 245.366 3.197 20 30 BGEDHN Cc1cccc2c1CCN(CC1(CC#N)CC1)C2 ZINC000878055666 590484868 /nfs/dbraw/zinc/48/48/68/590484868.db2.gz KFQWLVZEVVTHSG-UHFFFAOYSA-N 0 3 240.350 3.047 20 30 BGEDHN C=C1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878087200 590490228 /nfs/dbraw/zinc/49/02/28/590490228.db2.gz JKGDMFWPPFEFBQ-GFCCVEGCSA-N 0 3 229.314 3.464 20 30 BGEDHN C=C1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878087201 590489289 /nfs/dbraw/zinc/48/92/89/590489289.db2.gz JKGDMFWPPFEFBQ-LBPRGKRZSA-N 0 3 229.314 3.464 20 30 BGEDHN C=CCCCN(C)Cc1ccc(C)c(Cl)n1 ZINC000878117579 590498469 /nfs/dbraw/zinc/49/84/69/590498469.db2.gz QXNIKHXHOVHYFB-UHFFFAOYSA-N 0 3 238.762 3.441 20 30 BGEDHN C=C/C=C\CCN(CCC#N)CC(C)(C)C ZINC000878121285 590498680 /nfs/dbraw/zinc/49/86/80/590498680.db2.gz JOOSDDLFFGNONO-SREVYHEPSA-N 0 3 220.360 3.380 20 30 BGEDHN C=C/C=C/CCN(CCC#N)CC(C)(C)C ZINC000878121286 590499591 /nfs/dbraw/zinc/49/95/91/590499591.db2.gz JOOSDDLFFGNONO-VOTSOKGWSA-N 0 3 220.360 3.380 20 30 BGEDHN N#CCCN(CC1CC1)CC1CC2(CCC2)C1 ZINC000878159701 590510799 /nfs/dbraw/zinc/51/07/99/590510799.db2.gz RQHSFFUJMGZOPM-UHFFFAOYSA-N 0 3 232.371 3.192 20 30 BGEDHN C#CCCCCCN(C)Cc1cccc(O)c1 ZINC000878164376 590509906 /nfs/dbraw/zinc/50/99/06/590509906.db2.gz FPRRWPGJVWVIRK-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C=CC[C@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000878166826 590513945 /nfs/dbraw/zinc/51/39/45/590513945.db2.gz GVIOYLODBLKYPZ-JTQLQIEISA-N 0 3 224.735 3.131 20 30 BGEDHN C=CC[C@@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000878166827 590513463 /nfs/dbraw/zinc/51/34/63/590513463.db2.gz GVIOYLODBLKYPZ-SNVBAGLBSA-N 0 3 224.735 3.131 20 30 BGEDHN CC(C)(NCC1(CC#N)CC1)c1ccc(F)cc1 ZINC000878236966 590527436 /nfs/dbraw/zinc/52/74/36/590527436.db2.gz RYZSNNKYKPAHJU-UHFFFAOYSA-N 0 3 246.329 3.344 20 30 BGEDHN C=CC[C@@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000878238083 590527564 /nfs/dbraw/zinc/52/75/64/590527564.db2.gz NDSMCIMVLNEYMB-GFCCVEGCSA-N 0 3 240.350 3.491 20 30 BGEDHN C=CC[C@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000878238084 590528418 /nfs/dbraw/zinc/52/84/18/590528418.db2.gz NDSMCIMVLNEYMB-LBPRGKRZSA-N 0 3 240.350 3.491 20 30 BGEDHN C#CCCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000878242433 590528425 /nfs/dbraw/zinc/52/84/25/590528425.db2.gz RIDUYHPAZLXJCA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C#CCCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242433 590528423 /nfs/dbraw/zinc/52/84/23/590528423.db2.gz RIDUYHPAZLXJCA-UHFFFAOYSA-N 0 3 231.339 3.018 20 30 BGEDHN C=CC[C@H](C)N(C)Cc1c(C)nc2sccn12 ZINC000878269406 590532621 /nfs/dbraw/zinc/53/26/21/590532621.db2.gz NRIZCQVYWZOFEN-JTQLQIEISA-N 0 3 249.383 3.101 20 30 BGEDHN C=CC[C@@H](C)N(C)Cc1c(C)nc2sccn12 ZINC000878269407 590531702 /nfs/dbraw/zinc/53/17/02/590531702.db2.gz NRIZCQVYWZOFEN-SNVBAGLBSA-N 0 3 249.383 3.101 20 30 BGEDHN C=CC[C@@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000878303414 590538490 /nfs/dbraw/zinc/53/84/90/590538490.db2.gz QANPBXZYGJYOGG-SECBINFHSA-N 0 3 219.250 3.145 20 30 BGEDHN C=CC[C@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000878303415 590538436 /nfs/dbraw/zinc/53/84/36/590538436.db2.gz QANPBXZYGJYOGG-VIFPVBQESA-N 0 3 219.250 3.145 20 30 BGEDHN C#CCCCCCN(Cc1ccncc1)C1CC1 ZINC000878308546 590539662 /nfs/dbraw/zinc/53/96/62/590539662.db2.gz FPHZIAZKARXNGF-UHFFFAOYSA-N 0 3 242.366 3.240 20 30 BGEDHN C#CCCCCCN(Cc1cccnc1)C1CC1 ZINC000878308770 590539460 /nfs/dbraw/zinc/53/94/60/590539460.db2.gz HIDYBEJJSFFIIF-UHFFFAOYSA-N 0 3 242.366 3.240 20 30 BGEDHN C#CCCCCCN(C)[C@@H](C)c1cccnc1 ZINC000878313201 590540675 /nfs/dbraw/zinc/54/06/75/590540675.db2.gz DWIXJTJDDQPPQK-AWEZNQCLSA-N 0 3 230.355 3.268 20 30 BGEDHN C#CCCCCCN(C)[C@H](C)c1cccnc1 ZINC000878313203 590540634 /nfs/dbraw/zinc/54/06/34/590540634.db2.gz DWIXJTJDDQPPQK-CQSZACIVSA-N 0 3 230.355 3.268 20 30 BGEDHN C#CCCCCCN(C)[C@@H](C)c1ccccn1 ZINC000878314612 590541884 /nfs/dbraw/zinc/54/18/84/590541884.db2.gz 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3.192 20 30 BGEDHN C=C/C=C/CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000878407649 590561160 /nfs/dbraw/zinc/56/11/60/590561160.db2.gz XGHWIXVIHNFFFM-ITKZLYELSA-N 0 3 244.313 3.480 20 30 BGEDHN C=C/C=C\CCN[C@H](C)c1ccc(C#N)cc1F ZINC000878407650 590561283 /nfs/dbraw/zinc/56/12/83/590561283.db2.gz XGHWIXVIHNFFFM-QMAVJUDZSA-N 0 3 244.313 3.480 20 30 BGEDHN C=C/C=C\CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000878407651 590561567 /nfs/dbraw/zinc/56/15/67/590561567.db2.gz XGHWIXVIHNFFFM-RXNFCKPNSA-N 0 3 244.313 3.480 20 30 BGEDHN C=C/C=C/CCN[C@H](C)c1ccc(C#N)cc1F ZINC000878407652 590561189 /nfs/dbraw/zinc/56/11/89/590561189.db2.gz XGHWIXVIHNFFFM-ZYOFXKKJSA-N 0 3 244.313 3.480 20 30 BGEDHN C=CC[C@H](C)N[C@H](CC)c1nc(C)cs1 ZINC000878408213 590561763 /nfs/dbraw/zinc/56/17/63/590561763.db2.gz NLNMTMKZVMWTOE-GXSJLCMTSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000878408214 590561656 /nfs/dbraw/zinc/56/16/56/590561656.db2.gz NLNMTMKZVMWTOE-KOLCDFICSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@@H](C)N[C@H](CC)c1nc(C)cs1 ZINC000878408215 590558924 /nfs/dbraw/zinc/55/89/24/590558924.db2.gz NLNMTMKZVMWTOE-MWLCHTKSSA-N 0 3 224.373 3.457 20 30 BGEDHN C=CC[C@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000878408216 590559548 /nfs/dbraw/zinc/55/95/48/590559548.db2.gz NLNMTMKZVMWTOE-ONGXEEELSA-N 0 3 224.373 3.457 20 30 BGEDHN C#CCCCCCN[C@@H](COC)c1ccc(C)o1 ZINC000878408439 583372228 /nfs/dbraw/zinc/37/22/28/583372228.db2.gz ACMKGMBPKLANJI-AWEZNQCLSA-N 0 3 249.354 3.059 20 30 BGEDHN C#CCCCCCN[C@H](COC)c1ccc(C)o1 ZINC000878408440 583372338 /nfs/dbraw/zinc/37/23/38/583372338.db2.gz ACMKGMBPKLANJI-CQSZACIVSA-N 0 3 249.354 3.059 20 30 BGEDHN C=CC[C@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000878408829 590561913 /nfs/dbraw/zinc/56/19/13/590561913.db2.gz DETVICVQTLUXKE-AAEUAGOBSA-N 0 3 237.343 3.084 20 30 BGEDHN C=CC[C@@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000878408830 590561957 /nfs/dbraw/zinc/56/19/57/590561957.db2.gz DETVICVQTLUXKE-DGCLKSJQSA-N 0 3 237.343 3.084 20 30 BGEDHN C=CC[C@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000878408831 590561981 /nfs/dbraw/zinc/56/19/81/590561981.db2.gz DETVICVQTLUXKE-WCQYABFASA-N 0 3 237.343 3.084 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000878408832 590562110 /nfs/dbraw/zinc/56/21/10/590562110.db2.gz DETVICVQTLUXKE-YPMHNXCESA-N 0 3 237.343 3.084 20 30 BGEDHN C#CCCCCCN[C@@H](CCOC)c1ccco1 ZINC000878412536 590562960 /nfs/dbraw/zinc/56/29/60/590562960.db2.gz VNSGWFGXHGCCQK-AWEZNQCLSA-N 0 3 249.354 3.140 20 30 BGEDHN C#CCCCCCN[C@H](CCOC)c1ccco1 ZINC000878412537 590562872 /nfs/dbraw/zinc/56/28/72/590562872.db2.gz VNSGWFGXHGCCQK-CQSZACIVSA-N 0 3 249.354 3.140 20 30 BGEDHN C=CC[C@@H](C)N[C@H](CC)c1c(C)noc1C ZINC000878415110 590562736 /nfs/dbraw/zinc/56/27/36/590562736.db2.gz VQDFLIQYWMZGLH-BXKDBHETSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CC[C@H](C)N[C@@H](CC)c1c(C)noc1C ZINC000878415111 590562805 /nfs/dbraw/zinc/56/28/05/590562805.db2.gz VQDFLIQYWMZGLH-CABZTGNLSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CC[C@H](C)N[C@H](CC)c1c(C)noc1C ZINC000878415112 590563070 /nfs/dbraw/zinc/56/30/70/590563070.db2.gz VQDFLIQYWMZGLH-JOYOIKCWSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](CC)c1c(C)noc1C ZINC000878415113 590562751 /nfs/dbraw/zinc/56/27/51/590562751.db2.gz VQDFLIQYWMZGLH-SKDRFNHKSA-N 0 3 222.332 3.297 20 30 BGEDHN C=CC[C@@H](C)NC(C)(C)c1ncc(C)s1 ZINC000878417397 590563402 /nfs/dbraw/zinc/56/34/02/590563402.db2.gz LRPMJTFTRRSSQD-SECBINFHSA-N 0 3 224.373 3.241 20 30 BGEDHN C=CC[C@H](C)NC(C)(C)c1ncc(C)s1 ZINC000878417398 590563627 /nfs/dbraw/zinc/56/36/27/590563627.db2.gz LRPMJTFTRRSSQD-VIFPVBQESA-N 0 3 224.373 3.241 20 30 BGEDHN C=CC[C@@H](C)N[C@H](C)c1csc(CC)n1 ZINC000878418234 590563592 /nfs/dbraw/zinc/56/35/92/590563592.db2.gz JXGZAYPHPGNDHP-NXEZZACHSA-N 0 3 224.373 3.321 20 30 BGEDHN C=CC[C@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000878418235 590563634 /nfs/dbraw/zinc/56/36/34/590563634.db2.gz JXGZAYPHPGNDHP-UWVGGRQHSA-N 0 3 224.373 3.321 20 30 BGEDHN C=CC[C@H](C)N[C@H](C)c1csc(CC)n1 ZINC000878418236 590563313 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/nfs/dbraw/zinc/58/65/02/590586502.db2.gz OJVJEXLXTBZJCL-KGLIPLIRSA-N 0 3 235.371 3.129 20 30 BGEDHN C=C[C@H]1CCCCN1C[C@H]1CCC2(CCC2)O1 ZINC000878524364 590586523 /nfs/dbraw/zinc/58/65/23/590586523.db2.gz OJVJEXLXTBZJCL-UONOGXRCSA-N 0 3 235.371 3.129 20 30 BGEDHN C=C[C@@H]1CCCCN1C[C@H]1CCC2(CCC2)O1 ZINC000878524365 590586731 /nfs/dbraw/zinc/58/67/31/590586731.db2.gz OJVJEXLXTBZJCL-ZIAGYGMSSA-N 0 3 235.371 3.129 20 30 BGEDHN C#CCCCCCN(C)Cc1cnccc1C ZINC000878540383 590588663 /nfs/dbraw/zinc/58/86/63/590588663.db2.gz OBJMQVYECCGIRO-UHFFFAOYSA-N 0 3 230.355 3.015 20 30 BGEDHN C#CCCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878601894 590595205 /nfs/dbraw/zinc/59/52/05/590595205.db2.gz PPNDKBLNWPMVCQ-HNNXBMFYSA-N 0 3 245.370 3.130 20 30 BGEDHN C#CCCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601895 590594782 /nfs/dbraw/zinc/59/47/82/590594782.db2.gz PPNDKBLNWPMVCQ-OAHLLOKOSA-N 0 3 245.370 3.130 20 30 BGEDHN C=CC[C@@H](C)N(CC(=C)C)Cc1ccc(CO)o1 ZINC000878606936 590595562 /nfs/dbraw/zinc/59/55/62/590595562.db2.gz QQUVBRYUWGMKDG-CYBMUJFWSA-N 0 3 249.354 3.115 20 30 BGEDHN C=CC[C@H](C)N(CC(=C)C)Cc1ccc(CO)o1 ZINC000878606938 590595366 /nfs/dbraw/zinc/59/53/66/590595366.db2.gz QQUVBRYUWGMKDG-ZDUSSCGKSA-N 0 3 249.354 3.115 20 30 BGEDHN C#CCCCCCNC(C)(C)c1c(C)noc1C ZINC000878613139 590596715 /nfs/dbraw/zinc/59/67/15/590596715.db2.gz GJQAOYRJEVMEMC-UHFFFAOYSA-N 0 3 248.370 3.310 20 30 BGEDHN C=CC[C@@H](C)N1CCC=C(c2ccccn2)C1 ZINC000878648441 590601308 /nfs/dbraw/zinc/60/13/08/590601308.db2.gz OCZNLBUZGPEEDE-CYBMUJFWSA-N 0 3 228.339 3.135 20 30 BGEDHN C=CC[C@H](C)N1CCC=C(c2ccccn2)C1 ZINC000878648442 590601095 /nfs/dbraw/zinc/60/10/95/590601095.db2.gz OCZNLBUZGPEEDE-ZDUSSCGKSA-N 0 3 228.339 3.135 20 30 BGEDHN CN(CC[C@H]1CCCC1(F)F)CC(C)(C)C#N ZINC000878650509 590601629 /nfs/dbraw/zinc/60/16/29/590601629.db2.gz LZAXOQKFHSVGGM-LLVKDONJSA-N 0 3 244.329 3.293 20 30 BGEDHN CN(CC[C@@H]1CCCC1(F)F)CC(C)(C)C#N ZINC000878650510 590601566 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XMKUTOKWQNFOMD-GFCCVEGCSA-N 0 3 248.370 3.103 20 30 BGEDHN C=CC[C@H](C)N(C)Cc1ncc(C)c(OC)c1C ZINC000878669281 590606971 /nfs/dbraw/zinc/60/69/71/590606971.db2.gz XMKUTOKWQNFOMD-LBPRGKRZSA-N 0 3 248.370 3.103 20 30 BGEDHN CC[C@@H](CC#N)NC[C@H](C)CC(C)(C)C ZINC000878698918 590612034 /nfs/dbraw/zinc/61/20/34/590612034.db2.gz JTMHFGCPNRTFRX-NEPJUHHUSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@H](CC#N)NC[C@@H](C)CC(C)(C)C ZINC000878698919 590612142 /nfs/dbraw/zinc/61/21/42/590612142.db2.gz JTMHFGCPNRTFRX-NWDGAFQWSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@@H](CC#N)NC[C@@H](C)CC(C)(C)C ZINC000878698920 590611882 /nfs/dbraw/zinc/61/18/82/590611882.db2.gz JTMHFGCPNRTFRX-RYUDHWBXSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@H](CC#N)NC[C@H](C)CC(C)(C)C ZINC000878698921 590607001 /nfs/dbraw/zinc/60/70/01/590607001.db2.gz JTMHFGCPNRTFRX-VXGBXAGGSA-N 0 3 210.365 3.341 20 30 BGEDHN CC[C@H](CC#N)NCC[C@H]1CCCC1(F)F ZINC000878699092 590611695 /nfs/dbraw/zinc/61/16/95/590611695.db2.gz MPVDVEBJTKDCHZ-GHMZBOCLSA-N 0 3 230.302 3.094 20 30 BGEDHN CC[C@@H](CC#N)NCC[C@H]1CCCC1(F)F ZINC000878699093 590610427 /nfs/dbraw/zinc/61/04/27/590610427.db2.gz MPVDVEBJTKDCHZ-MNOVXSKESA-N 0 3 230.302 3.094 20 30 BGEDHN CC[C@@H](CC#N)NCC[C@@H]1CCCC1(F)F ZINC000878699094 590610699 /nfs/dbraw/zinc/61/06/99/590610699.db2.gz MPVDVEBJTKDCHZ-QWRGUYRKSA-N 0 3 230.302 3.094 20 30 BGEDHN CC[C@H](CC#N)NCC[C@@H]1CCCC1(F)F ZINC000878699095 590610364 /nfs/dbraw/zinc/61/03/64/590610364.db2.gz MPVDVEBJTKDCHZ-WDEREUQCSA-N 0 3 230.302 3.094 20 30 BGEDHN CC[C@H](CC#N)NCCCSC(C)(C)C ZINC000878699907 590611774 /nfs/dbraw/zinc/61/17/74/590611774.db2.gz WVWGYDZSQLYCFJ-LLVKDONJSA-N 0 3 228.405 3.190 20 30 BGEDHN CC[C@@H](CC#N)NCCCSC(C)(C)C ZINC000878699908 590611835 /nfs/dbraw/zinc/61/18/35/590611835.db2.gz WVWGYDZSQLYCFJ-NSHDSACASA-N 0 3 228.405 3.190 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)o2)C1 ZINC000878954371 590660387 /nfs/dbraw/zinc/66/03/87/590660387.db2.gz VAUYVICKMYIDIK-VXGBXAGGSA-N 0 3 232.327 3.162 20 30 BGEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCCOC(F)(F)F ZINC000878990909 590670792 /nfs/dbraw/zinc/67/07/92/590670792.db2.gz BSJYMNOTINWCFR-PHIMTYICSA-N 0 3 249.276 3.096 20 30 BGEDHN C#CCCCCCN1CCC(c2ccon2)CC1 ZINC000878994440 590672751 /nfs/dbraw/zinc/67/27/51/590672751.db2.gz QLYMMSHUMSRXPP-UHFFFAOYSA-N 0 3 246.354 3.048 20 30 BGEDHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)o1 ZINC000878995210 590672839 /nfs/dbraw/zinc/67/28/39/590672839.db2.gz NPTMPJCGFIGPBR-NWDGAFQWSA-N 0 3 232.327 3.304 20 30 BGEDHN C=CC[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000879010079 590676631 /nfs/dbraw/zinc/67/66/31/590676631.db2.gz PFMFXAWJNMXWCV-GXTWGEPZSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879010080 590676789 /nfs/dbraw/zinc/67/67/89/590676789.db2.gz PFMFXAWJNMXWCV-JSGCOSHPSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879010081 590676414 /nfs/dbraw/zinc/67/64/14/590676414.db2.gz PFMFXAWJNMXWCV-OCCSQVGLSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000879010082 590676448 /nfs/dbraw/zinc/67/64/48/590676448.db2.gz PFMFXAWJNMXWCV-TZMCWYRMSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010097 590676760 /nfs/dbraw/zinc/67/67/60/590676760.db2.gz PMWLXQJPQANHSB-GXTWGEPZSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010098 590677010 /nfs/dbraw/zinc/67/70/10/590677010.db2.gz PMWLXQJPQANHSB-JSGCOSHPSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010099 590677308 /nfs/dbraw/zinc/67/73/08/590677308.db2.gz PMWLXQJPQANHSB-OCCSQVGLSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CC[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010100 590676902 /nfs/dbraw/zinc/67/69/02/590676902.db2.gz PMWLXQJPQANHSB-TZMCWYRMSA-N 0 3 230.355 3.429 20 30 BGEDHN C=CCC1(NCc2nocc2C)CCCCC1 ZINC000879040028 590684454 /nfs/dbraw/zinc/68/44/54/590684454.db2.gz SAAZCLHLAXVCEF-UHFFFAOYSA-N 0 3 234.343 3.352 20 30 BGEDHN CCCCCCCN(C)Cc1c[nH]nc1C ZINC000879186377 590709799 /nfs/dbraw/zinc/70/97/99/590709799.db2.gz JCMZYLLXIQFDGW-UHFFFAOYSA-N 0 3 223.364 3.120 20 30 BGEDHN C=C(Cl)CN1CCC2(CCSCC2)CC1 ZINC000879198408 590713550 /nfs/dbraw/zinc/71/35/50/590713550.db2.gz DRJOYAQLBZIXAC-UHFFFAOYSA-N 0 3 245.819 3.348 20 30 BGEDHN CCCCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000879308993 590735193 /nfs/dbraw/zinc/73/51/93/590735193.db2.gz SATOEWAODWPWAK-CHWSQXEVSA-N 0 3 208.349 3.191 20 30 BGEDHN CCCCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000879308994 590735174 /nfs/dbraw/zinc/73/51/74/590735174.db2.gz SATOEWAODWPWAK-OLZOCXBDSA-N 0 3 208.349 3.191 20 30 BGEDHN CCCCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000879308995 590735619 /nfs/dbraw/zinc/73/56/19/590735619.db2.gz SATOEWAODWPWAK-QWHCGFSZSA-N 0 3 208.349 3.191 20 30 BGEDHN CCCCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000879308997 590735308 /nfs/dbraw/zinc/73/53/08/590735308.db2.gz SATOEWAODWPWAK-STQMWFEESA-N 0 3 208.349 3.191 20 30 BGEDHN CN(CCc1cccc(C#N)c1)CC1=CCCC1 ZINC000879432226 590768408 /nfs/dbraw/zinc/76/84/08/590768408.db2.gz GBUSZMFNKCKVHT-UHFFFAOYSA-N 0 3 240.350 3.143 20 30 BGEDHN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1[O-] ZINC000879648461 590841784 /nfs/dbraw/zinc/84/17/84/590841784.db2.gz QCQBLHWHKMVNHB-GFCCVEGCSA-N 0 3 246.354 3.373 20 30 BGEDHN C#CCCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650276 590843705 /nfs/dbraw/zinc/84/37/05/590843705.db2.gz SQUYINQSUCQZFJ-CYBMUJFWSA-N 0 3 231.339 3.236 20 30 BGEDHN C#CCCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650277 590843741 /nfs/dbraw/zinc/84/37/41/590843741.db2.gz SQUYINQSUCQZFJ-ZDUSSCGKSA-N 0 3 231.339 3.236 20 30 BGEDHN C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1[O-] ZINC000879651287 590842869 /nfs/dbraw/zinc/84/28/69/590842869.db2.gz QCQBLHWHKMVNHB-LBPRGKRZSA-N 0 3 246.354 3.373 20 30 BGEDHN C=CC[C@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000879661650 590844720 /nfs/dbraw/zinc/84/47/20/590844720.db2.gz FLFMDBUIAUMYCH-GWCFXTLKSA-N 0 3 225.282 3.391 20 30 BGEDHN C=CC[C@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000879661651 590844512 /nfs/dbraw/zinc/84/45/12/590844512.db2.gz FLFMDBUIAUMYCH-GXFFZTMASA-N 0 3 225.282 3.391 20 30 BGEDHN C=CC[C@@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000879661652 590844835 /nfs/dbraw/zinc/84/48/35/590844835.db2.gz FLFMDBUIAUMYCH-MFKMUULPSA-N 0 3 225.282 3.391 20 30 BGEDHN C=CC[C@@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000879661653 590844459 /nfs/dbraw/zinc/84/44/59/590844459.db2.gz FLFMDBUIAUMYCH-ZWNOBZJWSA-N 0 3 225.282 3.391 20 30 BGEDHN CCC#C[C@@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671905 590845341 /nfs/dbraw/zinc/84/53/41/590845341.db2.gz QUCLGYPBQNMMTM-IJLUTSLNSA-N 0 3 245.288 3.275 20 30 BGEDHN CCC#C[C@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671907 590846054 /nfs/dbraw/zinc/84/60/54/590846054.db2.gz QUCLGYPBQNMMTM-QJPTWQEYSA-N 0 3 245.288 3.275 20 30 BGEDHN C[C@H](CCC#N)N[C@H](C)c1cc2cnccc2o1 ZINC000879715049 590853266 /nfs/dbraw/zinc/85/32/66/590853266.db2.gz OCYZPJSLKNRPJV-GHMZBOCLSA-N 0 3 243.310 3.171 20 30 BGEDHN C[C@H](CCC#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000879715050 590853604 /nfs/dbraw/zinc/85/36/04/590853604.db2.gz OCYZPJSLKNRPJV-MNOVXSKESA-N 0 3 243.310 3.171 20 30 BGEDHN C[C@@H](CCC#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000879715051 590853710 /nfs/dbraw/zinc/85/37/10/590853710.db2.gz OCYZPJSLKNRPJV-QWRGUYRKSA-N 0 3 243.310 3.171 20 30 BGEDHN C[C@@H](N[C@@H](C)CCC#N)c1cc2cnccc2o1 ZINC000879715052 590853189 /nfs/dbraw/zinc/85/31/89/590853189.db2.gz OCYZPJSLKNRPJV-WDEREUQCSA-N 0 3 243.310 3.171 20 30 BGEDHN CC#CCCN(C)Cc1ccc2cc[nH]c2c1 ZINC000879724703 590856747 /nfs/dbraw/zinc/85/67/47/590856747.db2.gz NNABOECPWIBTAE-UHFFFAOYSA-N 0 3 226.323 3.013 20 30 BGEDHN C[C@H](CCC#N)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879724825 590856949 /nfs/dbraw/zinc/85/69/49/590856949.db2.gz PSNORNGJCDWBPV-GFCCVEGCSA-N 0 3 241.338 3.292 20 30 BGEDHN C[C@@H](CCC#N)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879724831 590856697 /nfs/dbraw/zinc/85/66/97/590856697.db2.gz PSNORNGJCDWBPV-LBPRGKRZSA-N 0 3 241.338 3.292 20 30 BGEDHN C=CCN1CCC[C@H](c2ccccc2OC)CC1 ZINC000879727449 590857136 /nfs/dbraw/zinc/85/71/36/590857136.db2.gz GNYPXOMDJFJHIV-AWEZNQCLSA-N 0 3 245.366 3.451 20 30 BGEDHN C=CCN1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879727450 590857028 /nfs/dbraw/zinc/85/70/28/590857028.db2.gz GNYPXOMDJFJHIV-CQSZACIVSA-N 0 3 245.366 3.451 20 30 BGEDHN Cc1cncc([C@@H]2CCCN2CCCCC#N)c1 ZINC000879746978 590861346 /nfs/dbraw/zinc/86/13/46/590861346.db2.gz IYFZTFKWONJKQH-HNNXBMFYSA-N 0 3 243.354 3.221 20 30 BGEDHN Cc1cncc([C@H]2CCCN2CCCCC#N)c1 ZINC000879746980 590860581 /nfs/dbraw/zinc/86/05/81/590860581.db2.gz IYFZTFKWONJKQH-OAHLLOKOSA-N 0 3 243.354 3.221 20 30 BGEDHN C=C(C)CN1CCC[C@H]1c1cncc(C)c1 ZINC000879749560 590863301 /nfs/dbraw/zinc/86/33/01/590863301.db2.gz YWUHCMZUXVRYSL-AWEZNQCLSA-N 0 3 216.328 3.103 20 30 BGEDHN C=C(C)CN1CCC[C@@H]1c1cncc(C)c1 ZINC000879749563 590862459 /nfs/dbraw/zinc/86/24/59/590862459.db2.gz YWUHCMZUXVRYSL-CQSZACIVSA-N 0 3 216.328 3.103 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1cncc(C)c1 ZINC000879750613 590862913 /nfs/dbraw/zinc/86/29/13/590862913.db2.gz YHVCNNNOOWNRLL-HNNXBMFYSA-N 0 3 230.355 3.493 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1cncc(C)c1 ZINC000879750615 590863390 /nfs/dbraw/zinc/86/33/90/590863390.db2.gz YHVCNNNOOWNRLL-OAHLLOKOSA-N 0 3 230.355 3.493 20 30 BGEDHN C=C(CC)CN1CC[C@](C)(C(F)(F)F)C1 ZINC000880002983 590906634 /nfs/dbraw/zinc/90/66/34/590906634.db2.gz VTJHTNAPXSVRQP-JTQLQIEISA-N 0 3 221.266 3.227 20 30 BGEDHN C=C(CC)CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002984 590906396 /nfs/dbraw/zinc/90/63/96/590906396.db2.gz VTJHTNAPXSVRQP-SNVBAGLBSA-N 0 3 221.266 3.227 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009022 590909173 /nfs/dbraw/zinc/90/91/73/590909173.db2.gz IPGJMBZEZHBQJC-CHWSQXEVSA-N 0 3 248.395 3.043 20 30 BGEDHN CCC#C[C@@H](C)N1CC[C@H](c2nc(C)cs2)C1 ZINC000880009023 590907901 /nfs/dbraw/zinc/90/79/01/590907901.db2.gz IPGJMBZEZHBQJC-OLZOCXBDSA-N 0 3 248.395 3.043 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009024 590908773 /nfs/dbraw/zinc/90/87/73/590908773.db2.gz IPGJMBZEZHBQJC-QWHCGFSZSA-N 0 3 248.395 3.043 20 30 BGEDHN CCC#C[C@H](C)N1CC[C@H](c2nc(C)cs2)C1 ZINC000880009025 590908977 /nfs/dbraw/zinc/90/89/77/590908977.db2.gz IPGJMBZEZHBQJC-STQMWFEESA-N 0 3 248.395 3.043 20 30 BGEDHN C=C(CC)CN1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009890 590908693 /nfs/dbraw/zinc/90/86/93/590908693.db2.gz RCEOHBDZRYBPPY-GFCCVEGCSA-N 0 3 236.384 3.207 20 30 BGEDHN C=C(CC)CN1CC[C@H](c2nc(C)cs2)C1 ZINC000880009891 590908152 /nfs/dbraw/zinc/90/81/52/590908152.db2.gz RCEOHBDZRYBPPY-LBPRGKRZSA-N 0 3 236.384 3.207 20 30 BGEDHN CCC1(CC)CCCN1Cc1ccncc1C#N ZINC000880093799 590923269 /nfs/dbraw/zinc/92/32/69/590923269.db2.gz LCCDEMNGZSNDCG-UHFFFAOYSA-N 0 3 243.354 3.108 20 30 BGEDHN CCC1(CC)CCCN1Cc1ccc(C#N)o1 ZINC000880093852 590923559 /nfs/dbraw/zinc/92/35/59/590923559.db2.gz MQWLZXBLYVMMIW-UHFFFAOYSA-N 0 3 232.327 3.306 20 30 BGEDHN C=C(C)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880096534 590926713 /nfs/dbraw/zinc/92/67/13/590926713.db2.gz OHVKTYXXXNJBFK-SECBINFHSA-N 0 3 244.260 3.327 20 30 BGEDHN C=C(C)CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880100708 590926033 /nfs/dbraw/zinc/92/60/33/590926033.db2.gz OHVKTYXXXNJBFK-VIFPVBQESA-N 0 3 244.260 3.327 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CF)C1 ZINC000880232072 590963002 /nfs/dbraw/zinc/96/30/02/590963002.db2.gz GCDCJTGCMHMIML-GXTWGEPZSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CF)C1 ZINC000880232073 590963467 /nfs/dbraw/zinc/96/34/67/590963467.db2.gz GCDCJTGCMHMIML-JSGCOSHPSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CF)C1 ZINC000880232074 590963047 /nfs/dbraw/zinc/96/30/47/590963047.db2.gz GCDCJTGCMHMIML-OCCSQVGLSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CF)C1 ZINC000880232075 590962996 /nfs/dbraw/zinc/96/29/96/590962996.db2.gz GCDCJTGCMHMIML-TZMCWYRMSA-N 0 3 246.329 3.301 20 30 BGEDHN Cc1cc(CN2CCC[C@@H](CF)C2)ccc1C#N ZINC000880237371 583506427 /nfs/dbraw/zinc/50/64/27/583506427.db2.gz VVUYMKSIKYWMPN-AWEZNQCLSA-N 0 3 246.329 3.048 20 30 BGEDHN Cc1cc(CN2CCC[C@H](CF)C2)ccc1C#N ZINC000880237373 583505773 /nfs/dbraw/zinc/50/57/73/583505773.db2.gz VVUYMKSIKYWMPN-CQSZACIVSA-N 0 3 246.329 3.048 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CF)C1 ZINC000880237680 590968157 /nfs/dbraw/zinc/96/81/57/590968157.db2.gz ZWJIXHZCPLNKJR-GXTWGEPZSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CF)C1 ZINC000880237681 590968136 /nfs/dbraw/zinc/96/81/36/590968136.db2.gz ZWJIXHZCPLNKJR-JSGCOSHPSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CF)C1 ZINC000880237682 590969406 /nfs/dbraw/zinc/96/94/06/590969406.db2.gz ZWJIXHZCPLNKJR-OCCSQVGLSA-N 0 3 246.329 3.301 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CF)C1 ZINC000880237684 590969521 /nfs/dbraw/zinc/96/95/21/590969521.db2.gz ZWJIXHZCPLNKJR-TZMCWYRMSA-N 0 3 246.329 3.301 20 30 BGEDHN N#CC1(CCN2CCC(F)CC2)CCCCC1 ZINC000880239408 583514697 /nfs/dbraw/zinc/51/46/97/583514697.db2.gz HQOVSWRDJUWLAK-UHFFFAOYSA-N 0 3 238.350 3.284 20 30 BGEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)CC1 ZINC000880240277 590974477 /nfs/dbraw/zinc/97/44/77/590974477.db2.gz SERZOHHEGYBESY-LLVKDONJSA-N 0 3 232.302 3.053 20 30 BGEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)CC1 ZINC000880240278 590974204 /nfs/dbraw/zinc/97/42/04/590974204.db2.gz SERZOHHEGYBESY-NSHDSACASA-N 0 3 232.302 3.053 20 30 BGEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)CC1 ZINC000880242109 590974940 /nfs/dbraw/zinc/97/49/40/590974940.db2.gz PRAGVAWTFSYNAV-LLVKDONJSA-N 0 3 232.302 3.053 20 30 BGEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)CC1 ZINC000880242110 590975177 /nfs/dbraw/zinc/97/51/77/590975177.db2.gz PRAGVAWTFSYNAV-NSHDSACASA-N 0 3 232.302 3.053 20 30 BGEDHN CC#CCCN1CCc2ccsc2[C@H]1C ZINC000880376912 591017096 /nfs/dbraw/zinc/01/70/96/591017096.db2.gz LMZNTTKCVGEMRW-LLVKDONJSA-N 0 3 219.353 3.081 20 30 BGEDHN CC#CCCN1CCc2ccsc2[C@@H]1C ZINC000880376913 591016533 /nfs/dbraw/zinc/01/65/33/591016533.db2.gz LMZNTTKCVGEMRW-NSHDSACASA-N 0 3 219.353 3.081 20 30 BGEDHN C=CCN1CCCSC[C@H]1c1ccccc1 ZINC000880386426 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BGEDHN C[C@@H](NC[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246958 591587905 /nfs/dbraw/zinc/58/79/05/591587905.db2.gz WBQWJZOOLJJCIU-NEPJUHHUSA-N 0 3 244.313 3.314 20 30 BGEDHN C[C@H](NC[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246959 591588326 /nfs/dbraw/zinc/58/83/26/591588326.db2.gz WBQWJZOOLJJCIU-NWDGAFQWSA-N 0 3 244.313 3.314 20 30 BGEDHN C[C@H](NC[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246960 591588508 /nfs/dbraw/zinc/58/85/08/591588508.db2.gz WBQWJZOOLJJCIU-RYUDHWBXSA-N 0 3 244.313 3.314 20 30 BGEDHN C[C@@H](NC[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246961 591588738 /nfs/dbraw/zinc/58/87/38/591588738.db2.gz WBQWJZOOLJJCIU-VXGBXAGGSA-N 0 3 244.313 3.314 20 30 BGEDHN CCC[C@@H](C)CCNCc1ccc(C#N)o1 ZINC000883251407 591592428 /nfs/dbraw/zinc/59/24/28/591592428.db2.gz NNBMGJUKLRCLHX-LLVKDONJSA-N 0 3 220.316 3.067 20 30 BGEDHN CCC[C@H](C)CCNCc1ccc(C#N)o1 ZINC000883251408 591593015 /nfs/dbraw/zinc/59/30/15/591593015.db2.gz NNBMGJUKLRCLHX-NSHDSACASA-N 0 3 220.316 3.067 20 30 BGEDHN 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AQZYXQZVIPNTFG-UHFFFAOYSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H](C1CC1)N(Cc1csc(C#N)c1)C1CC1 ZINC000891669106 582707667 /nfs/dbraw/zinc/70/76/67/582707667.db2.gz VKVUINXFIBFZRB-JTQLQIEISA-N 0 3 246.379 3.383 20 30 BGEDHN C[C@H](C1CC1)N(Cc1csc(C#N)c1)C1CC1 ZINC000891669112 582707620 /nfs/dbraw/zinc/70/76/20/582707620.db2.gz VKVUINXFIBFZRB-SNVBAGLBSA-N 0 3 246.379 3.383 20 30 BGEDHN C[C@H](N(C)Cc1csc(C#N)c1)C(C)(C)C ZINC000891671760 582708425 /nfs/dbraw/zinc/70/84/25/582708425.db2.gz SCYGQIAGDFVGNX-JTQLQIEISA-N 0 3 236.384 3.486 20 30 BGEDHN C[C@@H](N(C)Cc1csc(C#N)c1)C(C)(C)C ZINC000891671765 582708716 /nfs/dbraw/zinc/70/87/16/582708716.db2.gz SCYGQIAGDFVGNX-SNVBAGLBSA-N 0 3 236.384 3.486 20 30 BGEDHN C=CCN(Cc1cnn(CC2CCC2)c1)C(C)C ZINC000891675149 582709308 /nfs/dbraw/zinc/70/93/08/582709308.db2.gz NBEYRQHAMAANJH-UHFFFAOYSA-N 0 3 247.386 3.080 20 30 BGEDHN C=CCN(C[C@H]1C[C@@]1(C)Br)C(C)C ZINC000891675371 582709349 /nfs/dbraw/zinc/70/93/49/582709349.db2.gz UITOQQSALOXJQN-GHMZBOCLSA-N 0 3 246.192 3.056 20 30 BGEDHN C=CCN(C[C@H]1C[C@]1(C)Br)C(C)C ZINC000891675372 582709491 /nfs/dbraw/zinc/70/94/91/582709491.db2.gz UITOQQSALOXJQN-MNOVXSKESA-N 0 3 246.192 3.056 20 30 BGEDHN C=CCN(C[C@@H]1C[C@]1(C)Br)C(C)C ZINC000891675373 582709236 /nfs/dbraw/zinc/70/92/36/582709236.db2.gz UITOQQSALOXJQN-QWRGUYRKSA-N 0 3 246.192 3.056 20 30 BGEDHN C=CCN(C[C@@H]1C[C@@]1(C)Br)C(C)C ZINC000891675374 582709443 /nfs/dbraw/zinc/70/94/43/582709443.db2.gz UITOQQSALOXJQN-WDEREUQCSA-N 0 3 246.192 3.056 20 30 BGEDHN C=CCN(Cc1cnn(C2CCC2)c1)C(C)C ZINC000891675570 582709209 /nfs/dbraw/zinc/70/92/09/582709209.db2.gz WUEWRMOECMRBMD-UHFFFAOYSA-N 0 3 233.359 3.005 20 30 BGEDHN C=CCN(Cc1c(C)nn(C(C)C)c1C)C(C)C ZINC000891675572 582709361 /nfs/dbraw/zinc/70/93/61/582709361.db2.gz WWXXVCJILUERAQ-UHFFFAOYSA-N 0 3 249.402 3.477 20 30 BGEDHN CC(C)N(Cc1csc(C#N)c1)CC1CC1 ZINC000891683326 582710346 /nfs/dbraw/zinc/71/03/46/582710346.db2.gz BAVDCFRIKJZZKF-UHFFFAOYSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)CN(Cc1csc(C#N)c1)C(C)C ZINC000891699897 582711160 /nfs/dbraw/zinc/71/11/60/582711160.db2.gz PDAWPYZQCHXODD-UHFFFAOYSA-N 0 3 236.384 3.486 20 30 BGEDHN CC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891707894 582712318 /nfs/dbraw/zinc/71/23/18/582712318.db2.gz UIKPZXJXACDPPD-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891707900 582712218 /nfs/dbraw/zinc/71/22/18/582712218.db2.gz UIKPZXJXACDPPD-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000891804414 582724528 /nfs/dbraw/zinc/72/45/28/582724528.db2.gz VJZUXSMCCJCHAX-GXTWGEPZSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000891804415 582724592 /nfs/dbraw/zinc/72/45/92/582724592.db2.gz VJZUXSMCCJCHAX-JSGCOSHPSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000891804416 582724758 /nfs/dbraw/zinc/72/47/58/582724758.db2.gz VJZUXSMCCJCHAX-OCCSQVGLSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1cc(CN2CCC[C@H]3CCC[C@H]32)cs1 ZINC000891804417 582724389 /nfs/dbraw/zinc/72/43/89/582724389.db2.gz VJZUXSMCCJCHAX-TZMCWYRMSA-N 0 3 246.379 3.384 20 30 BGEDHN C[C@@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000891821711 631504727 /nfs/dbraw/zinc/50/47/27/631504727.db2.gz KODQTIWMQFLDQD-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000891821712 631505196 /nfs/dbraw/zinc/50/51/96/631505196.db2.gz KODQTIWMQFLDQD-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN CCN(Cc1csc(C#N)c1)[C@H](C)C(C)C ZINC000891823305 582726936 /nfs/dbraw/zinc/72/69/36/582726936.db2.gz PGACUACIZXXPMX-LLVKDONJSA-N 0 3 236.384 3.486 20 30 BGEDHN CCN(Cc1csc(C#N)c1)[C@@H](C)C(C)C ZINC000891823306 582727420 /nfs/dbraw/zinc/72/74/20/582727420.db2.gz PGACUACIZXXPMX-NSHDSACASA-N 0 3 236.384 3.486 20 30 BGEDHN CN(Cc1csc(C#N)c1)CC1CCCC1 ZINC000891845636 582729033 /nfs/dbraw/zinc/72/90/33/582729033.db2.gz BCBKLMVKPNBJFI-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN Cc1ccc(CCN2CCC(C#N)CC2)cc1C ZINC000891852977 711552533 /nfs/dbraw/zinc/55/25/33/711552533.db2.gz YCVGEXLOVOFEGA-UHFFFAOYSA-N 0 3 242.366 3.082 20 30 BGEDHN C[C@@H]1CCCN(Cc2csc(C#N)c2)[C@@H]1C ZINC000891863390 582731406 /nfs/dbraw/zinc/73/14/06/582731406.db2.gz WJGPTCRHIVZWAM-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CCCN(Cc2csc(C#N)c2)[C@H]1C ZINC000891863391 582731575 /nfs/dbraw/zinc/73/15/75/582731575.db2.gz WJGPTCRHIVZWAM-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CCCN(Cc2csc(C#N)c2)[C@H]1C ZINC000891863392 582731302 /nfs/dbraw/zinc/73/13/02/582731302.db2.gz WJGPTCRHIVZWAM-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1[C@@H](C)CCCN1Cc1csc(C#N)c1 ZINC000891863393 582731070 /nfs/dbraw/zinc/73/10/70/582731070.db2.gz WJGPTCRHIVZWAM-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN N#Cc1cc(CN2CCC[C@H]2C2CCC2)cs1 ZINC000891871262 582732717 /nfs/dbraw/zinc/73/27/17/582732717.db2.gz ZSYUIGPQEYHSKX-AWEZNQCLSA-N 0 3 246.379 3.384 20 30 BGEDHN N#Cc1cc(CN2CCC[C@@H]2C2CCC2)cs1 ZINC000891871263 582733207 /nfs/dbraw/zinc/73/32/07/582733207.db2.gz ZSYUIGPQEYHSKX-CQSZACIVSA-N 0 3 246.379 3.384 20 30 BGEDHN CC1(C)CCN(Cc2csc(C#N)c2)CC1 ZINC000891910513 582736859 /nfs/dbraw/zinc/73/68/59/582736859.db2.gz FISGGIKGSLKBKA-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN CCC(C)(C)N(C)Cc1csc(C#N)c1 ZINC000892005785 582759623 /nfs/dbraw/zinc/75/96/23/582759623.db2.gz YIOATUNSLKMGOA-UHFFFAOYSA-N 0 3 222.357 3.240 20 30 BGEDHN N#Cc1cc(CN2CCC3(CCCC3)C2)cs1 ZINC000892025327 582765453 /nfs/dbraw/zinc/76/54/53/582765453.db2.gz PWTYDBWIKKJKMG-UHFFFAOYSA-N 0 3 246.379 3.386 20 30 BGEDHN C[C@@H]1CCCCCN1Cc1csc(C#N)c1 ZINC000892035968 582769041 /nfs/dbraw/zinc/76/90/41/582769041.db2.gz GNKXQRYGKSBWKX-LLVKDONJSA-N 0 3 234.368 3.384 20 30 BGEDHN C[C@H]1CCCCCN1Cc1csc(C#N)c1 ZINC000892035969 582769560 /nfs/dbraw/zinc/76/95/60/582769560.db2.gz GNKXQRYGKSBWKX-NSHDSACASA-N 0 3 234.368 3.384 20 30 BGEDHN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H]1C ZINC000892065658 582782240 /nfs/dbraw/zinc/78/22/40/582782240.db2.gz PATBDHBIJVVZKY-GHMZBOCLSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000892065659 582781784 /nfs/dbraw/zinc/78/17/84/582781784.db2.gz PATBDHBIJVVZKY-MNOVXSKESA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@H]1CN(Cc2csc(C#N)c2)CC[C@@H]1C ZINC000892065660 582782516 /nfs/dbraw/zinc/78/25/16/582782516.db2.gz PATBDHBIJVVZKY-QWRGUYRKSA-N 0 3 234.368 3.098 20 30 BGEDHN C[C@H]1CCN(Cc2csc(C#N)c2)C[C@H]1C ZINC000892065661 582782226 /nfs/dbraw/zinc/78/22/26/582782226.db2.gz PATBDHBIJVVZKY-WDEREUQCSA-N 0 3 234.368 3.098 20 30 BGEDHN CC[C@@H]1C[C@H](C)CN1Cc1csc(C#N)c1 ZINC000892069115 582783961 /nfs/dbraw/zinc/78/39/61/582783961.db2.gz XUCAHACEOXNGDF-CMPLNLGQSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@H](C)CN1Cc1csc(C#N)c1 ZINC000892069117 582784863 /nfs/dbraw/zinc/78/48/63/582784863.db2.gz XUCAHACEOXNGDF-JQWIXIFHSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1C[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000892069118 582784010 /nfs/dbraw/zinc/78/40/10/582784010.db2.gz XUCAHACEOXNGDF-PWSUYJOCSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000892069119 582784542 /nfs/dbraw/zinc/78/45/42/582784542.db2.gz XUCAHACEOXNGDF-ZYHUDNBSSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@@H](C)N(Cc2csc(C#N)c2)C1 ZINC000892069156 582784643 /nfs/dbraw/zinc/78/46/43/582784643.db2.gz FVWRYJIYSJCNQC-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@H](C)N(Cc2csc(C#N)c2)C1 ZINC000892069157 582783997 /nfs/dbraw/zinc/78/39/97/582783997.db2.gz FVWRYJIYSJCNQC-MNOVXSKESA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@H]1CC[C@H](C)N(Cc2csc(C#N)c2)C1 ZINC000892069158 582784199 /nfs/dbraw/zinc/78/41/99/582784199.db2.gz FVWRYJIYSJCNQC-QWRGUYRKSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC[C@H](C)CN1Cc1csc(C#N)c1 ZINC000892069159 582784889 /nfs/dbraw/zinc/78/48/89/582784889.db2.gz FVWRYJIYSJCNQC-WDEREUQCSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000892146106 582800482 /nfs/dbraw/zinc/80/04/82/582800482.db2.gz MAWQELYJTSDTBJ-CYBMUJFWSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000892146107 582800340 /nfs/dbraw/zinc/80/03/40/582800340.db2.gz MAWQELYJTSDTBJ-ZDUSSCGKSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H](N(C)Cc1csc(C#N)c1)C1(C)CC1 ZINC000892218437 631793278 /nfs/dbraw/zinc/79/32/78/631793278.db2.gz JKBXXCGXQNIFOE-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H](N(C)Cc1csc(C#N)c1)C1(C)CC1 ZINC000892218438 631791764 /nfs/dbraw/zinc/79/17/64/631791764.db2.gz JKBXXCGXQNIFOE-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN CC(C)[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892222872 582810134 /nfs/dbraw/zinc/81/01/34/582810134.db2.gz YLKPTXHGHVFUMC-GFCCVEGCSA-N 0 3 234.368 3.098 20 30 BGEDHN CC(C)[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892222873 582809620 /nfs/dbraw/zinc/80/96/20/582809620.db2.gz YLKPTXHGHVFUMC-LBPRGKRZSA-N 0 3 234.368 3.098 20 30 BGEDHN CCCSC[C@@H](C)NCc1cccc(C#N)c1 ZINC000892546561 582909877 /nfs/dbraw/zinc/90/98/77/582909877.db2.gz KJKPAFVYZLSHRA-GFCCVEGCSA-N 0 3 248.395 3.180 20 30 BGEDHN CCCSC[C@H](C)NCc1cccc(C#N)c1 ZINC000892546562 582909931 /nfs/dbraw/zinc/90/99/31/582909931.db2.gz KJKPAFVYZLSHRA-LBPRGKRZSA-N 0 3 248.395 3.180 20 30 BGEDHN CCCSC[C@@H](C)NCc1ccc(C#N)cc1 ZINC000892603690 582926776 /nfs/dbraw/zinc/92/67/76/582926776.db2.gz QIRDRLPSASKXIO-GFCCVEGCSA-N 0 3 248.395 3.180 20 30 BGEDHN CCCSC[C@H](C)NCc1ccc(C#N)cc1 ZINC000892603693 582926781 /nfs/dbraw/zinc/92/67/81/582926781.db2.gz QIRDRLPSASKXIO-LBPRGKRZSA-N 0 3 248.395 3.180 20 30 BGEDHN C=CC[C@@H](C)[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000892952101 583017420 /nfs/dbraw/zinc/01/74/20/583017420.db2.gz YEEDNWUYAVHHGT-SECBINFHSA-N 0 3 225.719 3.100 20 30 BGEDHN C=CC[C@H](C)[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000892952103 583017523 /nfs/dbraw/zinc/01/75/23/583017523.db2.gz YEEDNWUYAVHHGT-VIFPVBQESA-N 0 3 225.719 3.100 20 30 BGEDHN C=CCCC[C@@H](C)NCc1ccc(OC)o1 ZINC000893306056 583095787 /nfs/dbraw/zinc/09/57/87/583095787.db2.gz VYOBCKFTFLWZNG-LLVKDONJSA-N 0 3 223.316 3.123 20 30 BGEDHN C=CCCC[C@H](C)NCc1ccc(OC)o1 ZINC000893306058 583095618 /nfs/dbraw/zinc/09/56/18/583095618.db2.gz VYOBCKFTFLWZNG-NSHDSACASA-N 0 3 223.316 3.123 20 30 BGEDHN C=C(Cl)CNC[C@H]1CCc2ccccc21 ZINC000893351398 583119159 /nfs/dbraw/zinc/11/91/59/583119159.db2.gz RCTCOIKGKDMOQK-GFCCVEGCSA-N 0 3 221.731 3.059 20 30 BGEDHN C=C(Cl)CNC[C@@H]1CCc2ccccc21 ZINC000893351402 583118835 /nfs/dbraw/zinc/11/88/35/583118835.db2.gz RCTCOIKGKDMOQK-LBPRGKRZSA-N 0 3 221.731 3.059 20 30 BGEDHN CC(C)CCCCN1CCC(C)(C#N)CC1 ZINC000893470009 583149296 /nfs/dbraw/zinc/14/92/96/583149296.db2.gz GEIWPULHBXDTAF-UHFFFAOYSA-N 0 3 222.376 3.438 20 30 BGEDHN Cc1oc(C(C)(C)C)cc1CNCCCC#N ZINC000893515794 583155623 /nfs/dbraw/zinc/15/56/23/583155623.db2.gz LURJHPMCAIBQDB-UHFFFAOYSA-N 0 3 234.343 3.279 20 30 BGEDHN N#CCCCNCc1ccc(C(F)F)c(F)c1 ZINC000893516787 583155585 /nfs/dbraw/zinc/15/55/85/583155585.db2.gz YVJFCBOPSWTMQT-UHFFFAOYSA-N 0 3 242.244 3.157 20 30 BGEDHN CN(Cc1csc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000893522379 583156981 /nfs/dbraw/zinc/15/69/81/583156981.db2.gz SGFYYKPPFYCYDV-GFCCVEGCSA-N 0 3 246.379 3.408 20 30 BGEDHN CN(Cc1csc(C#N)c1)C[C@H]1CC=CCC1 ZINC000893522380 583156590 /nfs/dbraw/zinc/15/65/90/583156590.db2.gz SGFYYKPPFYCYDV-LBPRGKRZSA-N 0 3 246.379 3.408 20 30 BGEDHN CCN(CCC1CC1)Cc1csc(C#N)c1 ZINC000893590492 583168154 /nfs/dbraw/zinc/16/81/54/583168154.db2.gz OMNMUGVDLLIALY-UHFFFAOYSA-N 0 3 234.368 3.242 20 30 BGEDHN CC[C@@H](CC#N)NCCc1ccc(C)c(C)c1 ZINC000893605517 583171814 /nfs/dbraw/zinc/17/18/14/583171814.db2.gz HKNQOQNOMJOPIU-HNNXBMFYSA-N 0 3 230.355 3.128 20 30 BGEDHN CC[C@H](CC#N)NCCc1ccc(C)c(C)c1 ZINC000893605518 583171686 /nfs/dbraw/zinc/17/16/86/583171686.db2.gz HKNQOQNOMJOPIU-OAHLLOKOSA-N 0 3 230.355 3.128 20 30 BGEDHN C=CCCCCNCc1ccc(OCC)o1 ZINC000893657418 583188890 /nfs/dbraw/zinc/18/88/90/583188890.db2.gz YRMLDVBAAWKNQP-UHFFFAOYSA-N 0 3 223.316 3.124 20 30 BGEDHN CC[C@H]1[C@@H](C)CCN1Cc1csc(C#N)c1 ZINC000893675108 583194522 /nfs/dbraw/zinc/19/45/22/583194522.db2.gz CJFKYMLYYFPIDW-GWCFXTLKSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1[C@@H](C)CCN1Cc1csc(C#N)c1 ZINC000893675109 583194703 /nfs/dbraw/zinc/19/47/03/583194703.db2.gz CJFKYMLYYFPIDW-GXFFZTMASA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@H]1[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893675110 583194727 /nfs/dbraw/zinc/19/47/27/583194727.db2.gz CJFKYMLYYFPIDW-MFKMUULPSA-N 0 3 234.368 3.240 20 30 BGEDHN CC[C@@H]1[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893675111 583194373 /nfs/dbraw/zinc/19/43/73/583194373.db2.gz CJFKYMLYYFPIDW-ZWNOBZJWSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000893678585 583198079 /nfs/dbraw/zinc/19/80/79/583198079.db2.gz LUTCFUKZKXBWBD-LLVKDONJSA-N 0 3 234.368 3.242 20 30 BGEDHN C[C@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000893678586 583197751 /nfs/dbraw/zinc/19/77/51/583197751.db2.gz LUTCFUKZKXBWBD-NSHDSACASA-N 0 3 234.368 3.242 20 30 BGEDHN C=CCNCc1ccc(C(F)F)c(F)c1 ZINC000893896916 635639604 /nfs/dbraw/zinc/63/96/04/635639604.db2.gz JWCDCOPDGJTEKO-UHFFFAOYSA-N 0 3 215.218 3.039 20 30 BGEDHN C=CCCN(C)Cc1cn(C)nc1C1CCCC1 ZINC000893929989 583250314 /nfs/dbraw/zinc/25/03/14/583250314.db2.gz ODOFJNNFKSFQFN-UHFFFAOYSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCN(C)Cc1c(C)nn(C(C)C)c1C ZINC000893930383 583250055 /nfs/dbraw/zinc/25/00/55/583250055.db2.gz ZWGZBVSIJYLEDH-UHFFFAOYSA-N 0 3 235.375 3.089 20 30 BGEDHN C=C1CCN(Cc2cccc3c2NCCC3)CC1 ZINC000894005698 583273470 /nfs/dbraw/zinc/27/34/70/583273470.db2.gz KOHDTGUCICGUML-UHFFFAOYSA-N 0 3 242.366 3.197 20 30 BGEDHN C=CC1CCN(Cc2ccc(SC)o2)CC1 ZINC000894019556 583273926 /nfs/dbraw/zinc/27/39/26/583273926.db2.gz JCMXFUKHYCKEGO-UHFFFAOYSA-N 0 3 237.368 3.400 20 30 BGEDHN C=CCCCCCN(C)Cc1c(C)ccnc1N ZINC000894033448 583277648 /nfs/dbraw/zinc/27/76/48/583277648.db2.gz DKXLIYYJYGXXFV-UHFFFAOYSA-N 0 3 247.386 3.150 20 30 BGEDHN C=CCCCCCN(C)Cc1n[nH]c(C)c1C ZINC000894034246 583278892 /nfs/dbraw/zinc/27/88/92/583278892.db2.gz NDDOFIAWRIBFBX-UHFFFAOYSA-N 0 3 235.375 3.205 20 30 BGEDHN C=CCCCCCN(C)Cc1[nH]nc(C)c1C ZINC000894034246 583278891 /nfs/dbraw/zinc/27/88/91/583278891.db2.gz NDDOFIAWRIBFBX-UHFFFAOYSA-N 0 3 235.375 3.205 20 30 BGEDHN C=CCCCCCN(C)Cc1ocnc1C ZINC000894034307 583278437 /nfs/dbraw/zinc/27/84/37/583278437.db2.gz PIYCXKUUSYRJCS-UHFFFAOYSA-N 0 3 222.332 3.161 20 30 BGEDHN C[C@@H]1CC2(CCC2)CN1Cc1csc(C#N)c1 ZINC000894038267 583282700 /nfs/dbraw/zinc/28/27/00/583282700.db2.gz IYVOGNHEVOUUBI-LLVKDONJSA-N 0 3 246.379 3.384 20 30 BGEDHN C[C@H]1CC2(CCC2)CN1Cc1csc(C#N)c1 ZINC000894038268 583282622 /nfs/dbraw/zinc/28/26/22/583282622.db2.gz IYVOGNHEVOUUBI-NSHDSACASA-N 0 3 246.379 3.384 20 30 BGEDHN CN(Cc1csc(C#N)c1)C1(C)CCCC1 ZINC000894105792 583306219 /nfs/dbraw/zinc/30/62/19/583306219.db2.gz SSRJQFRNGMJSEM-UHFFFAOYSA-N 0 3 234.368 3.384 20 30 BGEDHN C=CCCC[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894119055 583310575 /nfs/dbraw/zinc/31/05/75/583310575.db2.gz CSNDLDMLEHUMLR-UHFFFAOYSA-N 0 3 225.719 3.101 20 30 BGEDHN CCCCCCCCNCc1ocnc1C ZINC000894152174 583318775 /nfs/dbraw/zinc/31/87/75/583318775.db2.gz 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C=CCN(Cc1cccc2c1NCCC2)C1CC1 ZINC000894455952 583464721 /nfs/dbraw/zinc/46/47/21/583464721.db2.gz GHZYKHFXWCXSDZ-UHFFFAOYSA-N 0 3 242.366 3.195 20 30 BGEDHN C=CCN(Cc1nccc2ccccc21)C1CC1 ZINC000894456387 583464748 /nfs/dbraw/zinc/46/47/48/583464748.db2.gz PLJJJKAFDKVUBS-UHFFFAOYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CCCCC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894479271 583469784 /nfs/dbraw/zinc/46/97/84/583469784.db2.gz IOLAQUYZGBIBJA-UHFFFAOYSA-N 0 3 249.354 3.155 20 30 BGEDHN CC[C@@H]1CC[C@H](C)N1Cc1csc(C#N)c1 ZINC000894499606 583475052 /nfs/dbraw/zinc/47/50/52/583475052.db2.gz QMVSWSKSVMAPBI-CMPLNLGQSA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@H]1CC[C@H](C)N1Cc1csc(C#N)c1 ZINC000894499607 583474498 /nfs/dbraw/zinc/47/44/98/583474498.db2.gz QMVSWSKSVMAPBI-JQWIXIFHSA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@H]1CC[C@@H](C)N1Cc1csc(C#N)c1 ZINC000894499608 583474440 /nfs/dbraw/zinc/47/44/40/583474440.db2.gz QMVSWSKSVMAPBI-PWSUYJOCSA-N 0 3 234.368 3.383 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)N1Cc1csc(C#N)c1 ZINC000894499609 583474646 /nfs/dbraw/zinc/47/46/46/583474646.db2.gz QMVSWSKSVMAPBI-ZYHUDNBSSA-N 0 3 234.368 3.383 20 30 BGEDHN N#Cc1cc(CN2CCC[C@@H](C3CC3)C2)cs1 ZINC000894522134 635905531 /nfs/dbraw/zinc/90/55/31/635905531.db2.gz ZDWLIKHLHZNHAP-CYBMUJFWSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1cc(CN2CCC[C@H](C3CC3)C2)cs1 ZINC000894522135 635904412 /nfs/dbraw/zinc/90/44/12/635904412.db2.gz ZDWLIKHLHZNHAP-ZDUSSCGKSA-N 0 3 246.379 3.242 20 30 BGEDHN C=CCCN(C)Cc1cc(C)cc(OC)c1OC ZINC000894531662 711771662 /nfs/dbraw/zinc/77/16/62/711771662.db2.gz CEDQDNYYVVQABP-UHFFFAOYSA-N 0 3 249.354 3.020 20 30 BGEDHN C=CCCN(C)Cc1ccc(SC)o1 ZINC000894532396 583479070 /nfs/dbraw/zinc/47/90/70/583479070.db2.gz JNCRDNNYYKWNQB-UHFFFAOYSA-N 0 3 211.330 3.009 20 30 BGEDHN Cc1cc(C#N)cc(C)c1CN1CC(C2CC2)C1 ZINC000894566570 583484290 /nfs/dbraw/zinc/48/42/90/583484290.db2.gz PJUYWJHHWHKYFB-UHFFFAOYSA-N 0 3 240.350 3.017 20 30 BGEDHN C#C[C@H](C)N(C)Cc1cc2c(cccc2O)s1 ZINC000894573827 583486788 /nfs/dbraw/zinc/48/67/88/583486788.db2.gz IDDKHFSEESLXBH-JTQLQIEISA-N 0 3 245.347 3.060 20 30 BGEDHN C#C[C@@H](C)N(C)Cc1cc2c(cccc2O)s1 ZINC000894573829 583486742 /nfs/dbraw/zinc/48/67/42/583486742.db2.gz IDDKHFSEESLXBH-SNVBAGLBSA-N 0 3 245.347 3.060 20 30 BGEDHN C=CCC(C)(C)CNCc1c(C)noc1CC ZINC000894607267 583492105 /nfs/dbraw/zinc/49/21/05/583492105.db2.gz PJQVGQGFLFJFMM-UHFFFAOYSA-N 0 3 236.359 3.237 20 30 BGEDHN C=C(C)CC[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894712500 583511456 /nfs/dbraw/zinc/51/14/56/583511456.db2.gz QZGRCPIGGBYUOX-UHFFFAOYSA-N 0 3 225.719 3.101 20 30 BGEDHN N#Cc1cc(CN2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000894721626 583513068 /nfs/dbraw/zinc/51/30/68/583513068.db2.gz FVSJRKGDQUBOLT-BETUJISGSA-N 0 3 246.379 3.242 20 30 BGEDHN C=CCCCCCCNCc1ocnc1C ZINC000894761498 583518027 /nfs/dbraw/zinc/51/80/27/583518027.db2.gz PZLFZAHATXCSND-UHFFFAOYSA-N 0 3 222.332 3.209 20 30 BGEDHN C=C(CC)CNCc1c(C)nn(C(C)C)c1C ZINC000894776083 583518437 /nfs/dbraw/zinc/51/84/37/583518437.db2.gz ULRFUBLXTPQUQU-UHFFFAOYSA-N 0 3 235.375 3.137 20 30 BGEDHN FC1(F)CC(CCNCC#Cc2ccccc2)C1 ZINC000894804157 583522040 /nfs/dbraw/zinc/52/20/40/583522040.db2.gz JOKUYZFUVFJDDU-UHFFFAOYSA-N 0 3 249.304 3.063 20 30 BGEDHN CCC1CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000894813198 583523723 /nfs/dbraw/zinc/52/37/23/583523723.db2.gz NZZADKQEPOJMMT-UHFFFAOYSA-N 0 3 228.339 3.017 20 30 BGEDHN CN(Cc1csc(C#N)c1)C1CC(C)(C)C1 ZINC000894860878 583534491 /nfs/dbraw/zinc/53/44/91/583534491.db2.gz JQWULDRSATVLDS-UHFFFAOYSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000894862410 583537157 /nfs/dbraw/zinc/53/71/57/583537157.db2.gz XUEANLRFOGXAQK-CHWSQXEVSA-N 0 3 240.350 3.082 20 30 BGEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000894862411 583536949 /nfs/dbraw/zinc/53/69/49/583536949.db2.gz XUEANLRFOGXAQK-OLZOCXBDSA-N 0 3 240.350 3.082 20 30 BGEDHN C[C@@H]1[C@@H](C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000894862412 583537068 /nfs/dbraw/zinc/53/70/68/583537068.db2.gz XUEANLRFOGXAQK-QWHCGFSZSA-N 0 3 240.350 3.082 20 30 BGEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000894862413 583537083 /nfs/dbraw/zinc/53/70/83/583537083.db2.gz XUEANLRFOGXAQK-STQMWFEESA-N 0 3 240.350 3.082 20 30 BGEDHN C=CC(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894898893 583551009 /nfs/dbraw/zinc/55/10/09/583551009.db2.gz OIKQOVSXGCYFJZ-UHFFFAOYSA-N 0 3 249.354 3.011 20 30 BGEDHN C=CCC1(NCc2ocnc2C)CCCCC1 ZINC000894910971 583555071 /nfs/dbraw/zinc/55/50/71/583555071.db2.gz BMWRRLPJJOQPLO-UHFFFAOYSA-N 0 3 234.343 3.352 20 30 BGEDHN C=CCC1(CNCc2ocnc2C)CCCC1 ZINC000894917639 583555652 /nfs/dbraw/zinc/55/56/52/583555652.db2.gz OTBHWAAHQATDMF-UHFFFAOYSA-N 0 3 234.343 3.209 20 30 BGEDHN C[C@H]1CC(C)(C)CN1Cc1csc(C#N)c1 ZINC000894920575 583555456 /nfs/dbraw/zinc/55/54/56/583555456.db2.gz DWENKYUTCRDIBN-JTQLQIEISA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CC(C)(C)CN1Cc1csc(C#N)c1 ZINC000894920578 583555298 /nfs/dbraw/zinc/55/52/98/583555298.db2.gz DWENKYUTCRDIBN-SNVBAGLBSA-N 0 3 234.368 3.240 20 30 BGEDHN N#Cc1cc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000894947339 583557723 /nfs/dbraw/zinc/55/77/23/583557723.db2.gz FOAMLWXIMSNHNN-CYBMUJFWSA-N 0 3 246.379 3.242 20 30 BGEDHN N#Cc1cc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000894947340 583557426 /nfs/dbraw/zinc/55/74/26/583557426.db2.gz FOAMLWXIMSNHNN-ZDUSSCGKSA-N 0 3 246.379 3.242 20 30 BGEDHN C[C@H]1[C@@H](C)N(Cc2csc(C#N)c2)C[C@H]1C ZINC000894959178 583559245 /nfs/dbraw/zinc/55/92/45/583559245.db2.gz VJQCVYNEPWINPA-GMTAPVOTSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@H](C)CN(Cc2csc(C#N)c2)[C@H]1C ZINC000894959179 583558953 /nfs/dbraw/zinc/55/89/53/583558953.db2.gz VJQCVYNEPWINPA-MXWKQRLJSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1csc(C#N)c1 ZINC000894959180 583559437 /nfs/dbraw/zinc/55/94/37/583559437.db2.gz VJQCVYNEPWINPA-OUAUKWLOSA-N 0 3 234.368 3.096 20 30 BGEDHN C[C@@H]1CN(Cc2csc(C#N)c2)[C@@H](C)[C@H]1C ZINC000894959181 583558767 /nfs/dbraw/zinc/55/87/67/583558767.db2.gz VJQCVYNEPWINPA-VWYCJHECSA-N 0 3 234.368 3.096 20 30 BGEDHN CC(C)CCCCNCC1(C#N)CCC1 ZINC000894967818 583560707 /nfs/dbraw/zinc/56/07/07/583560707.db2.gz WPOFWQXUZBFJEY-UHFFFAOYSA-N 0 3 208.349 3.096 20 30 BGEDHN C[C@@H]1CCN(Cc2csc(C#N)c2)[C@H](C)C1 ZINC000895010239 583567511 /nfs/dbraw/zinc/56/75/11/583567511.db2.gz SEFREDCMVXPYPM-GHMZBOCLSA-N 0 3 234.368 3.240 20 30 BGEDHN C[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000895024736 583570578 /nfs/dbraw/zinc/57/05/78/583570578.db2.gz DNXUFIUMRCMVBC-CHWSQXEVSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@@H]1CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000895024737 583570535 /nfs/dbraw/zinc/57/05/35/583570535.db2.gz DNXUFIUMRCMVBC-OLZOCXBDSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@@H](NCC2(C#N)CCC2)CC1 ZINC000895024738 583570882 /nfs/dbraw/zinc/57/08/82/583570882.db2.gz DNXUFIUMRCMVBC-QWHCGFSZSA-N 0 3 220.360 3.239 20 30 BGEDHN C[C@H]1CCC[C@H](NCC2(C#N)CCC2)CC1 ZINC000895024739 583570879 /nfs/dbraw/zinc/57/08/79/583570879.db2.gz DNXUFIUMRCMVBC-STQMWFEESA-N 0 3 220.360 3.239 20 30 BGEDHN C#CC[C@@H]1CCCN(Cc2ccc(SC)o2)C1 ZINC000895077161 583581405 /nfs/dbraw/zinc/58/14/05/583581405.db2.gz BMUGUIIHFCNLGW-GFCCVEGCSA-N 0 3 249.379 3.237 20 30 BGEDHN C#CC[C@H]1CCCN(Cc2ccc(SC)o2)C1 ZINC000895077163 583581320 /nfs/dbraw/zinc/58/13/20/583581320.db2.gz BMUGUIIHFCNLGW-LBPRGKRZSA-N 0 3 249.379 3.237 20 30 BGEDHN N#Cc1cc(CN2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000895089287 583585679 /nfs/dbraw/zinc/58/56/79/583585679.db2.gz YDBLZVDVBWVDQT-JSGCOSHPSA-N 0 3 246.379 3.384 20 30 BGEDHN CCCSC[C@@H](C)NCC1(C#N)CCCC1 ZINC000895142434 583603539 /nfs/dbraw/zinc/60/35/39/583603539.db2.gz QKNFKFWGOHRSLK-GFCCVEGCSA-N 0 3 240.416 3.192 20 30 BGEDHN CCCSC[C@H](C)NCC1(C#N)CCCC1 ZINC000895142435 583603785 /nfs/dbraw/zinc/60/37/85/583603785.db2.gz QKNFKFWGOHRSLK-LBPRGKRZSA-N 0 3 240.416 3.192 20 30 BGEDHN CCCN(Cc1csc(C#N)c1)C(C)C ZINC000895204917 583625124 /nfs/dbraw/zinc/62/51/24/583625124.db2.gz KKRXSHDVRMBXMZ-UHFFFAOYSA-N 0 3 222.357 3.240 20 30 BGEDHN C=CCCCCCNCc1nccn1C1CC1 ZINC000895207241 583626113 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237.372 3.122 20 30 BGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cncs1 ZINC000897929886 584060652 /nfs/dbraw/zinc/06/06/52/584060652.db2.gz DFNJUJZZNMQHOB-UWVGGRQHSA-N 0 3 237.372 3.122 20 30 BGEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cncs1 ZINC000897929887 584061306 /nfs/dbraw/zinc/06/13/06/584061306.db2.gz DFNJUJZZNMQHOB-VHSXEESVSA-N 0 3 237.372 3.122 20 30 BGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cncs1 ZINC000897929888 584061260 /nfs/dbraw/zinc/06/12/60/584061260.db2.gz DFNJUJZZNMQHOB-ZJUUUORDSA-N 0 3 237.372 3.122 20 30 BGEDHN CCCCC1(NCc2cc(C#N)cs2)CC1 ZINC000897935943 584061904 /nfs/dbraw/zinc/06/19/04/584061904.db2.gz KEHSDLASRFVKDS-UHFFFAOYSA-N 0 3 234.368 3.432 20 30 BGEDHN N#Cc1ccc(CNC[C@@H]2CCC=CCCC2)o1 ZINC000898032452 584078581 /nfs/dbraw/zinc/07/85/81/584078581.db2.gz QZYCWNPPELHLHO-CYBMUJFWSA-N 0 3 244.338 3.377 20 30 BGEDHN N#Cc1ccc(CNC[C@H]2CCC=CCCC2)o1 ZINC000898032453 584078222 /nfs/dbraw/zinc/07/82/22/584078222.db2.gz QZYCWNPPELHLHO-ZDUSSCGKSA-N 0 3 244.338 3.377 20 30 BGEDHN 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/nfs/dbraw/zinc/10/00/23/584100023.db2.gz FBMIKHXMNCGROF-UHFFFAOYSA-N 0 3 236.334 3.317 20 30 BGEDHN C=CCCCN(CC)Cc1ccc(F)nc1C ZINC000898244303 584099854 /nfs/dbraw/zinc/09/98/54/584099854.db2.gz FYCZGWVCOOXVIR-UHFFFAOYSA-N 0 3 236.334 3.317 20 30 BGEDHN C=CCCCN(CC)Cc1c(C2CC2)cnn1C ZINC000898244306 584099669 /nfs/dbraw/zinc/09/96/69/584099669.db2.gz GBNRRMNIDANAKR-UHFFFAOYSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCCN(CC)Cc1cn2ccnc2s1 ZINC000898244329 584100243 /nfs/dbraw/zinc/10/02/43/584100243.db2.gz HBTXTPSSDBQIOA-UHFFFAOYSA-N 0 3 249.383 3.184 20 30 BGEDHN C=CCCCN(CC)Cc1cnc(C2CC2)nc1 ZINC000898244361 584099747 /nfs/dbraw/zinc/09/97/47/584099747.db2.gz HVVICICYXJBETM-UHFFFAOYSA-N 0 3 245.370 3.142 20 30 BGEDHN C=CCCCN(CC)Cc1ccnc(F)c1C ZINC000898244407 584099943 /nfs/dbraw/zinc/09/99/43/584099943.db2.gz JNTXMZJESGDHHQ-UHFFFAOYSA-N 0 3 236.334 3.317 20 30 BGEDHN C=CCCCN(CC)Cc1csc(C#N)c1 ZINC000898244465 584100246 /nfs/dbraw/zinc/10/02/46/584100246.db2.gz LGFPUKGMIOEDQS-UHFFFAOYSA-N 0 3 234.368 3.408 20 30 BGEDHN C=CCCCN(CC)Cc1cc(C)ns1 ZINC000898244469 584099712 /nfs/dbraw/zinc/09/97/12/584099712.db2.gz LIJXJCYLQYEVMR-UHFFFAOYSA-N 0 3 224.373 3.240 20 30 BGEDHN C=CCCCN(CC)Cc1ccnn1C1CCC1 ZINC000898244645 584100158 /nfs/dbraw/zinc/10/01/58/584100158.db2.gz OGJBWAYUGHWHGB-UHFFFAOYSA-N 0 3 247.386 3.396 20 30 BGEDHN C=CCCCN(CC)Cc1cn(C)nc1C1CC1 ZINC000898244650 584100233 /nfs/dbraw/zinc/10/02/33/584100233.db2.gz OJQQABZJGANRQF-UHFFFAOYSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCCN(CC)Cc1ccnn1CCC ZINC000898244909 584099961 /nfs/dbraw/zinc/09/99/61/584099961.db2.gz TYMNZCOWMJJBBQ-UHFFFAOYSA-N 0 3 235.375 3.081 20 30 BGEDHN C=CCCCN(CC)Cc1ccc(OC)o1 ZINC000898245088 584100378 /nfs/dbraw/zinc/10/03/78/584100378.db2.gz VSKPJHMEMFSXNH-UHFFFAOYSA-N 0 3 223.316 3.076 20 30 BGEDHN C=CCCCN(CC)Cc1cncn1C(C)C ZINC000898245129 584100561 /nfs/dbraw/zinc/10/05/61/584100561.db2.gz XFQHAGWMZWFYNX-UHFFFAOYSA-N 0 3 235.375 3.252 20 30 BGEDHN C=CCCCN(CC)Cc1ccnn1CC1CC1 ZINC000898245245 584100484 /nfs/dbraw/zinc/10/04/84/584100484.db2.gz YWGFCWOYFFFABF-UHFFFAOYSA-N 0 3 247.386 3.081 20 30 BGEDHN C=CCCCN(CC)Cc1cnn(C2CCC2)c1 ZINC000898245290 584100432 /nfs/dbraw/zinc/10/04/32/584100432.db2.gz ZMTUELOCHDDSOZ-UHFFFAOYSA-N 0 3 247.386 3.396 20 30 BGEDHN C=CCCCN(CC)Cc1cnn(C)c1C1CC1 ZINC000898245298 584100494 /nfs/dbraw/zinc/10/04/94/584100494.db2.gz ZUHCLWQAWMVOBB-UHFFFAOYSA-N 0 3 247.386 3.086 20 30 BGEDHN C=CCCCN(CC)Cc1cnn(C(C)C)c1 ZINC000898245354 584100417 /nfs/dbraw/zinc/10/04/17/584100417.db2.gz AOBJXPKFSWQVLF-UHFFFAOYSA-N 0 3 235.375 3.252 20 30 BGEDHN C=CCCC[N@H+](CC)Cc1cccc(OC)c1[O-] ZINC000898245368 584100854 /nfs/dbraw/zinc/10/08/54/584100854.db2.gz AWUFCCSDTWAEDR-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=CCCC[N@@H+](CC)Cc1cccc(OC)c1[O-] ZINC000898245368 584100853 /nfs/dbraw/zinc/10/08/53/584100853.db2.gz AWUFCCSDTWAEDR-UHFFFAOYSA-N 0 3 249.354 3.189 20 30 BGEDHN C=CCCC[N@H+](CC)Cc1ccccc1[O-] ZINC000898245718 584100817 /nfs/dbraw/zinc/10/08/17/584100817.db2.gz 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C=C(C)c1cccc(NC2CCN(C)CC2)c1 ZINC000898310238 584110508 /nfs/dbraw/zinc/11/05/08/584110508.db2.gz IEEPQVOYRRSPOU-UHFFFAOYSA-N 0 3 230.355 3.226 20 30 BGEDHN CC(C)(C#N)c1ccc(CNC/C=C\Cl)cc1 ZINC000898428906 584133009 /nfs/dbraw/zinc/13/30/09/584133009.db2.gz KLGYGKZBFGHYEW-BAQGIRSFSA-N 0 3 248.757 3.330 20 30 BGEDHN CC(C)(C#N)c1ccc(CNC/C=C/Cl)cc1 ZINC000898428907 584133036 /nfs/dbraw/zinc/13/30/36/584133036.db2.gz KLGYGKZBFGHYEW-FPYGCLRLSA-N 0 3 248.757 3.330 20 30 BGEDHN Cc1cc(C#N)cc(C)c1CNC/C=C\Cl ZINC000898429628 584133706 /nfs/dbraw/zinc/13/37/06/584133706.db2.gz VZCPRAYDAHOSHQ-ARJAWSKDSA-N 0 3 234.730 3.017 20 30 BGEDHN Cc1cc(C#N)cc(C)c1CNC/C=C/Cl ZINC000898429629 584133777 /nfs/dbraw/zinc/13/37/77/584133777.db2.gz VZCPRAYDAHOSHQ-ONEGZZNKSA-N 0 3 234.730 3.017 20 30 BGEDHN N#CC1(c2ccc(CNC/C=C\Cl)cc2)CC1 ZINC000898430130 584134377 /nfs/dbraw/zinc/13/43/77/584134377.db2.gz VCCGCPPHAMHVDQ-QPIMQUGISA-N 0 3 246.741 3.084 20 30 BGEDHN N#CC1(c2ccc(CNC/C=C/Cl)cc2)CC1 ZINC000898430131 584134556 /nfs/dbraw/zinc/13/45/56/584134556.db2.gz VCCGCPPHAMHVDQ-UNXLUWIOSA-N 0 3 246.741 3.084 20 30 BGEDHN C=CC(C)(C)NCc1ccc(OCC)cc1 ZINC000898456430 584136851 /nfs/dbraw/zinc/13/68/51/584136851.db2.gz AWHQIQKEZSCJPG-UHFFFAOYSA-N 0 3 219.328 3.140 20 30 BGEDHN C=CC(C)(C)NCc1cc(F)cc(F)c1 ZINC000898456551 584136829 /nfs/dbraw/zinc/13/68/29/584136829.db2.gz BTIWZANJMMYLTB-UHFFFAOYSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC(C)(C)NCc1ccc(Cl)s1 ZINC000898456741 584136522 /nfs/dbraw/zinc/13/65/22/584136522.db2.gz DKGFBNBRRBTBLK-UHFFFAOYSA-N 0 3 215.749 3.456 20 30 BGEDHN C=CC(C)(C)NCc1cc(F)c(F)c(F)c1 ZINC000898456751 584136740 /nfs/dbraw/zinc/13/67/40/584136740.db2.gz FOZGIKUYYLSSKT-UHFFFAOYSA-N 0 3 229.245 3.158 20 30 BGEDHN C=CC(C)(C)NCc1cnc(C(C)C)s1 ZINC000898456766 584136643 /nfs/dbraw/zinc/13/66/43/584136643.db2.gz GMPSUXQPICIHGM-UHFFFAOYSA-N 0 3 224.373 3.321 20 30 BGEDHN C=CC(C)(C)NCc1nccc2ccccc21 ZINC000898456773 584136673 /nfs/dbraw/zinc/13/66/73/584136673.db2.gz GWWXULPKDYRWIF-UHFFFAOYSA-N 0 3 226.323 3.289 20 30 BGEDHN C=CC(C)(C)NCc1cccc(OC(F)F)c1 ZINC000898456846 584136667 /nfs/dbraw/zinc/13/66/67/584136667.db2.gz HAAWPIQNHYINKH-UHFFFAOYSA-N 0 3 241.281 3.342 20 30 BGEDHN C=CC(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000898456851 584136751 /nfs/dbraw/zinc/13/67/51/584136751.db2.gz HCVPHFNSWSNWLZ-CLFYSBASSA-N 0 3 246.310 3.162 20 30 BGEDHN C=CC(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000898456853 584136559 /nfs/dbraw/zinc/13/65/59/584136559.db2.gz HCVPHFNSWSNWLZ-VQHVLOKHSA-N 0 3 246.310 3.162 20 30 BGEDHN C=CC(C)(C)NCC1=Cc2ccccc2OC1 ZINC000898456936 584136503 /nfs/dbraw/zinc/13/65/03/584136503.db2.gz ILKUOLAZZPEOFY-UHFFFAOYSA-N 0 3 229.323 3.017 20 30 BGEDHN C=CC(C)(C)NCc1cc2cccc(OC)c2o1 ZINC000898456982 584136629 /nfs/dbraw/zinc/13/66/29/584136629.db2.gz ITTVFWSCJMXDCF-UHFFFAOYSA-N 0 3 245.322 3.496 20 30 BGEDHN C=CC(C)(C)NCc1cnc2ccccc2c1 ZINC000898457007 584136494 /nfs/dbraw/zinc/13/64/94/584136494.db2.gz JLILKMJHPOZFKA-UHFFFAOYSA-N 0 3 226.323 3.289 20 30 BGEDHN C=CC(C)(C)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000898457014 584136587 /nfs/dbraw/zinc/13/65/87/584136587.db2.gz JRXUOOHDGUOSBD-UHFFFAOYSA-N 0 3 219.328 3.063 20 30 BGEDHN C=CC(C)(C)NCc1cnc(-c2ccccc2)[nH]1 ZINC000898457092 584136882 /nfs/dbraw/zinc/13/68/82/584136882.db2.gz KQBRVUDSLMNTTR-UHFFFAOYSA-N 0 3 241.338 3.131 20 30 BGEDHN C=CC(C)(C)NCc1c[nH]c(-c2ccccc2)n1 ZINC000898457092 584136881 /nfs/dbraw/zinc/13/68/81/584136881.db2.gz KQBRVUDSLMNTTR-UHFFFAOYSA-N 0 3 241.338 3.131 20 30 BGEDHN C=CC(C)(C)NCc1cnc(CC(C)C)s1 ZINC000898457126 584136697 /nfs/dbraw/zinc/13/66/97/584136697.db2.gz LDRGDAUXJXZOMO-UHFFFAOYSA-N 0 3 238.400 3.396 20 30 BGEDHN C=CC(C)(C)NCc1ccc(OC)c(C)c1 ZINC000898457321 584136575 /nfs/dbraw/zinc/13/65/75/584136575.db2.gz MTCORHBZEJZSTQ-UHFFFAOYSA-N 0 3 219.328 3.058 20 30 BGEDHN C=CC(C)(C)NCc1cnc(C(C)(C)C)s1 ZINC000898457405 584137277 /nfs/dbraw/zinc/13/72/77/584137277.db2.gz NMUDEWKQEKFCHP-UHFFFAOYSA-N 0 3 238.400 3.495 20 30 BGEDHN C=CC(C)(C)NCc1c(C)nn(C(C)(C)C)c1C ZINC000898457436 584137518 /nfs/dbraw/zinc/13/75/18/584137518.db2.gz NXJHFGVPGWDFGG-UHFFFAOYSA-N 0 3 249.402 3.309 20 30 BGEDHN C=CC(C)(C)NCc1ccc(OC(F)F)cc1 ZINC000898457531 584137160 /nfs/dbraw/zinc/13/71/60/584137160.db2.gz OUROOVUFLVDCEA-UHFFFAOYSA-N 0 3 241.281 3.342 20 30 BGEDHN C=CC(C)(C)NCc1ccc(OC)c(OCC)c1 ZINC000898457627 584137065 /nfs/dbraw/zinc/13/70/65/584137065.db2.gz PSUHRDYUCJUWNT-UHFFFAOYSA-N 0 3 249.354 3.148 20 30 BGEDHN C=CC(C)(C)NCc1ccc(F)c(F)c1 ZINC000898457672 584137329 /nfs/dbraw/zinc/13/73/29/584137329.db2.gz RNWJPOBCRCZGSW-UHFFFAOYSA-N 0 3 211.255 3.019 20 30 BGEDHN C=CC(C)(C)NCc1cnc(C2CCC2)s1 ZINC000898457703 584137535 /nfs/dbraw/zinc/13/75/35/584137535.db2.gz SFBWUGRUKYVGRQ-UHFFFAOYSA-N 0 3 236.384 3.465 20 30 BGEDHN C=CC(C)(C)NCc1ccc2ncccc2c1 ZINC000898457745 584137362 /nfs/dbraw/zinc/13/73/62/584137362.db2.gz SSNQMEVVJJTPCE-UHFFFAOYSA-N 0 3 226.323 3.289 20 30 BGEDHN C=CC(C)(C)NC/C=C/c1ccccc1OC ZINC000898457750 584137012 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20 30 BGEDHN C=C(Br)CNC1C[C@H]2CCC[C@@H]2C1 ZINC000902793896 584673455 /nfs/dbraw/zinc/67/34/55/584673455.db2.gz OJUDRSUTLUGJOS-NXEZZACHSA-N 0 3 244.176 3.063 20 30 BGEDHN C=C(Br)CNC1C[C@@H]2CCC[C@H]2C1 ZINC000902793897 584673549 /nfs/dbraw/zinc/67/35/49/584673549.db2.gz OJUDRSUTLUGJOS-UWVGGRQHSA-N 0 3 244.176 3.063 20 30 BGEDHN CCC(CC)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902796583 584674440 /nfs/dbraw/zinc/67/44/40/584674440.db2.gz RKVJDJSJSKRLCP-LLVKDONJSA-N 0 3 231.343 3.040 20 30 BGEDHN CCC(CC)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902796584 584674769 /nfs/dbraw/zinc/67/47/69/584674769.db2.gz RKVJDJSJSKRLCP-NSHDSACASA-N 0 3 231.343 3.040 20 30 BGEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000902804389 584671193 /nfs/dbraw/zinc/67/11/93/584671193.db2.gz PQNSQUWWNNTSMG-NEPJUHHUSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804390 584671220 /nfs/dbraw/zinc/67/12/20/584671220.db2.gz PQNSQUWWNNTSMG-NWDGAFQWSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](N[C@@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804391 584671198 /nfs/dbraw/zinc/67/11/98/584671198.db2.gz PQNSQUWWNNTSMG-RYUDHWBXSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804392 584671297 /nfs/dbraw/zinc/67/12/97/584671297.db2.gz PQNSQUWWNNTSMG-VXGBXAGGSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805820 584671946 /nfs/dbraw/zinc/67/19/46/584671946.db2.gz FLCKOASSRYWZPW-NEPJUHHUSA-N 0 3 245.370 3.286 20 30 BGEDHN C[C@@H](CN[C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805821 584671843 /nfs/dbraw/zinc/67/18/43/584671843.db2.gz FLCKOASSRYWZPW-NWDGAFQWSA-N 0 3 245.370 3.286 20 30 BGEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805822 584671874 /nfs/dbraw/zinc/67/18/74/584671874.db2.gz FLCKOASSRYWZPW-RYUDHWBXSA-N 0 3 245.370 3.286 20 30 BGEDHN C[C@@H](NC[C@@H](C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902805823 584671776 /nfs/dbraw/zinc/67/17/76/584671776.db2.gz FLCKOASSRYWZPW-VXGBXAGGSA-N 0 3 245.370 3.286 20 30 BGEDHN C[C@@H](N[C@@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835767 584679428 /nfs/dbraw/zinc/67/94/28/584679428.db2.gz OPUHDZMLOFMCEJ-BXUZGUMPSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](N[C@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835768 584679378 /nfs/dbraw/zinc/67/93/78/584679378.db2.gz OPUHDZMLOFMCEJ-FZMZJTMJSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835769 584679513 /nfs/dbraw/zinc/67/95/13/584679513.db2.gz OPUHDZMLOFMCEJ-RISCZKNCSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](N[C@@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835770 584679092 /nfs/dbraw/zinc/67/90/92/584679092.db2.gz OPUHDZMLOFMCEJ-SMDDNHRTSA-N 0 3 243.354 3.183 20 30 BGEDHN CCC1(CN[C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902836438 584679367 /nfs/dbraw/zinc/67/93/67/584679367.db2.gz XMNDAEMALIRPKV-GFCCVEGCSA-N 0 3 243.354 3.184 20 30 BGEDHN CCC1(CN[C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902836439 584679433 /nfs/dbraw/zinc/67/94/33/584679433.db2.gz XMNDAEMALIRPKV-LBPRGKRZSA-N 0 3 243.354 3.184 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836688 584679270 /nfs/dbraw/zinc/67/92/70/584679270.db2.gz LBUKLVXHNDCGPW-BDAKNGLRSA-N 0 3 244.260 3.326 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836689 584679159 /nfs/dbraw/zinc/67/91/59/584679159.db2.gz LBUKLVXHNDCGPW-DTWKUNHWSA-N 0 3 244.260 3.326 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836690 584679459 /nfs/dbraw/zinc/67/94/59/584679459.db2.gz LBUKLVXHNDCGPW-IUCAKERBSA-N 0 3 244.260 3.326 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836691 584679502 /nfs/dbraw/zinc/67/95/02/584679502.db2.gz LBUKLVXHNDCGPW-RKDXNWHRSA-N 0 3 244.260 3.326 20 30 BGEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836773 584679082 /nfs/dbraw/zinc/67/90/82/584679082.db2.gz MNSXNFBTJZXSBC-NEPJUHHUSA-N 0 3 247.338 3.007 20 30 BGEDHN C=C[C@H](C)N[C@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836774 584679421 /nfs/dbraw/zinc/67/94/21/584679421.db2.gz MNSXNFBTJZXSBC-NWDGAFQWSA-N 0 3 247.338 3.007 20 30 BGEDHN C=C[C@H](C)N[C@@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836775 584679157 /nfs/dbraw/zinc/67/91/57/584679157.db2.gz MNSXNFBTJZXSBC-RYUDHWBXSA-N 0 3 247.338 3.007 20 30 BGEDHN C=C[C@@H](C)N[C@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836776 584679261 /nfs/dbraw/zinc/67/92/61/584679261.db2.gz MNSXNFBTJZXSBC-VXGBXAGGSA-N 0 3 247.338 3.007 20 30 BGEDHN C=C[C@@H](C)N[C@H](CC)c1cccc(C#N)c1 ZINC000902837587 584679760 /nfs/dbraw/zinc/67/97/60/584679760.db2.gz ZMBUDHIZWSZKQS-BXUZGUMPSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@H](C)N[C@@H](CC)c1cccc(C#N)c1 ZINC000902837588 584679618 /nfs/dbraw/zinc/67/96/18/584679618.db2.gz ZMBUDHIZWSZKQS-FZMZJTMJSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@@H](C)N[C@@H](CC)c1cccc(C#N)c1 ZINC000902837589 584679725 /nfs/dbraw/zinc/67/97/25/584679725.db2.gz ZMBUDHIZWSZKQS-RISCZKNCSA-N 0 3 214.312 3.173 20 30 BGEDHN C=C[C@H](C)N[C@H](CC)c1cccc(C#N)c1 ZINC000902837591 584679721 /nfs/dbraw/zinc/67/97/21/584679721.db2.gz ZMBUDHIZWSZKQS-SMDDNHRTSA-N 0 3 214.312 3.173 20 30 BGEDHN CCC[C@H](CC)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902854531 584685062 /nfs/dbraw/zinc/68/50/62/584685062.db2.gz GWLLDZVQMZDPQA-AAEUAGOBSA-N 0 3 231.343 3.183 20 30 BGEDHN CCC[C@@H](CC)N[C@H](C)c1cc(C#N)ccn1 ZINC000902854532 584685413 /nfs/dbraw/zinc/68/54/13/584685413.db2.gz GWLLDZVQMZDPQA-DGCLKSJQSA-N 0 3 231.343 3.183 20 30 BGEDHN CCC[C@@H](CC)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902854533 584685406 /nfs/dbraw/zinc/68/54/06/584685406.db2.gz GWLLDZVQMZDPQA-WCQYABFASA-N 0 3 231.343 3.183 20 30 BGEDHN CCC[C@H](CC)N[C@H](C)c1cc(C#N)ccn1 ZINC000902854534 584685360 /nfs/dbraw/zinc/68/53/60/584685360.db2.gz GWLLDZVQMZDPQA-YPMHNXCESA-N 0 3 231.343 3.183 20 30 BGEDHN C[C@@H](NCC1(C)CCCC1)c1cc(C#N)ccn1 ZINC000902858867 584685624 /nfs/dbraw/zinc/68/56/24/584685624.db2.gz AIKORBMVYNSUDK-GFCCVEGCSA-N 0 3 243.354 3.184 20 30 BGEDHN C[C@H](NCC1(C)CCCC1)c1cc(C#N)ccn1 ZINC000902858868 584685677 /nfs/dbraw/zinc/68/56/77/584685677.db2.gz AIKORBMVYNSUDK-LBPRGKRZSA-N 0 3 243.354 3.184 20 30 BGEDHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1cc(C#N)ccn1 ZINC000902860036 584685759 /nfs/dbraw/zinc/68/57/59/584685759.db2.gz NUKCEHBSYLRALZ-OBJOEFQTSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1cc(C#N)ccn1 ZINC000902860037 584685745 /nfs/dbraw/zinc/68/57/45/584685745.db2.gz NUKCEHBSYLRALZ-YRGRVCCFSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](NCCCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902871216 584684250 /nfs/dbraw/zinc/68/42/50/584684250.db2.gz KJUDHXVTDLMANZ-GFCCVEGCSA-N 0 3 245.370 3.430 20 30 BGEDHN C[C@H](NCCCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902871217 584684081 /nfs/dbraw/zinc/68/40/81/584684081.db2.gz KJUDHXVTDLMANZ-LBPRGKRZSA-N 0 3 245.370 3.430 20 30 BGEDHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902872499 584683987 /nfs/dbraw/zinc/68/39/87/584683987.db2.gz IHPRMXCLVDOJPG-AVGNSLFASA-N 0 3 245.370 3.429 20 30 BGEDHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902872500 584684087 /nfs/dbraw/zinc/68/40/87/584684087.db2.gz IHPRMXCLVDOJPG-RWMBFGLXSA-N 0 3 245.370 3.429 20 30 BGEDHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902872501 584684138 /nfs/dbraw/zinc/68/41/38/584684138.db2.gz IHPRMXCLVDOJPG-XQQFMLRXSA-N 0 3 245.370 3.429 20 30 BGEDHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902872502 584683964 /nfs/dbraw/zinc/68/39/64/584683964.db2.gz IHPRMXCLVDOJPG-YNEHKIRRSA-N 0 3 245.370 3.429 20 30 BGEDHN CC(C)C1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902876316 584687384 /nfs/dbraw/zinc/68/73/84/584687384.db2.gz AEGXMBFLRYLTSP-GFCCVEGCSA-N 0 3 243.354 3.040 20 30 BGEDHN CC(C)C1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902876317 584687287 /nfs/dbraw/zinc/68/72/87/584687287.db2.gz AEGXMBFLRYLTSP-LBPRGKRZSA-N 0 3 243.354 3.040 20 30 BGEDHN CCCC1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902879715 584687602 /nfs/dbraw/zinc/68/76/02/584687602.db2.gz XVHOOKJJRBYJBG-GFCCVEGCSA-N 0 3 243.354 3.184 20 30 BGEDHN CCCC1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902879717 584687741 /nfs/dbraw/zinc/68/77/41/584687741.db2.gz XVHOOKJJRBYJBG-LBPRGKRZSA-N 0 3 243.354 3.184 20 30 BGEDHN CC(C)C[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902885448 584688934 /nfs/dbraw/zinc/68/89/34/584688934.db2.gz AMDMRRDNHFDHTH-NEPJUHHUSA-N 0 3 231.343 3.038 20 30 BGEDHN CC(C)C[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902885449 584689294 /nfs/dbraw/zinc/68/92/94/584689294.db2.gz AMDMRRDNHFDHTH-NWDGAFQWSA-N 0 3 231.343 3.038 20 30 BGEDHN CC(C)C[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902885450 584689231 /nfs/dbraw/zinc/68/92/31/584689231.db2.gz AMDMRRDNHFDHTH-RYUDHWBXSA-N 0 3 231.343 3.038 20 30 BGEDHN CC(C)C[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902885451 584688953 /nfs/dbraw/zinc/68/89/53/584688953.db2.gz AMDMRRDNHFDHTH-VXGBXAGGSA-N 0 3 231.343 3.038 20 30 BGEDHN C[C@H](N[C@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893287 584690810 /nfs/dbraw/zinc/69/08/10/584690810.db2.gz VERPUPLULPYWKP-AAEUAGOBSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893288 584690722 /nfs/dbraw/zinc/69/07/22/584690722.db2.gz VERPUPLULPYWKP-DGCLKSJQSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893289 584690793 /nfs/dbraw/zinc/69/07/93/584690793.db2.gz VERPUPLULPYWKP-WCQYABFASA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893290 584690652 /nfs/dbraw/zinc/69/06/52/584690652.db2.gz VERPUPLULPYWKP-YPMHNXCESA-N 0 3 243.354 3.183 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902898174 584686745 /nfs/dbraw/zinc/68/67/45/584686745.db2.gz YLSOFAJYDDKEPM-CHWSQXEVSA-N 0 3 243.354 3.349 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902898191 584686568 /nfs/dbraw/zinc/68/65/68/584686568.db2.gz YLSOFAJYDDKEPM-OLZOCXBDSA-N 0 3 243.354 3.349 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902898193 584686621 /nfs/dbraw/zinc/68/66/21/584686621.db2.gz YLSOFAJYDDKEPM-QWHCGFSZSA-N 0 3 243.354 3.349 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902898194 584686540 /nfs/dbraw/zinc/68/65/40/584686540.db2.gz YLSOFAJYDDKEPM-STQMWFEESA-N 0 3 243.354 3.349 20 30 BGEDHN CC[C@H](NCCOC(C)C)c1cccc(C#N)c1 ZINC000902952055 584704669 /nfs/dbraw/zinc/70/46/69/584704669.db2.gz TYNPMXNOINLEST-HNNXBMFYSA-N 0 3 246.354 3.024 20 30 BGEDHN CC[C@@H](NCCOC(C)C)c1cccc(C#N)c1 ZINC000902952056 584704438 /nfs/dbraw/zinc/70/44/38/584704438.db2.gz TYNPMXNOINLEST-OAHLLOKOSA-N 0 3 246.354 3.024 20 30 BGEDHN C[C@H](CCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902956501 584705866 /nfs/dbraw/zinc/70/58/66/584705866.db2.gz IZXDDQKUZZIROF-NEPJUHHUSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@@H](C)CCC1CC1)c1cc(C#N)ccn1 ZINC000902956502 584705839 /nfs/dbraw/zinc/70/58/39/584705839.db2.gz IZXDDQKUZZIROF-NWDGAFQWSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](CCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902956504 584705830 /nfs/dbraw/zinc/70/58/30/584705830.db2.gz IZXDDQKUZZIROF-RYUDHWBXSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](CCC1CC1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902956505 584705776 /nfs/dbraw/zinc/70/57/76/584705776.db2.gz IZXDDQKUZZIROF-VXGBXAGGSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](NCC1CC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902963912 584707198 /nfs/dbraw/zinc/70/71/98/584707198.db2.gz JHRKAZQMMJXFGJ-LLVKDONJSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NCC1CC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902963913 584707308 /nfs/dbraw/zinc/70/73/08/584707308.db2.gz JHRKAZQMMJXFGJ-NSHDSACASA-N 0 3 243.354 3.040 20 30 BGEDHN CCOC[C@H](C)N[C@H](CC)c1cccc(C#N)c1 ZINC000902964052 584707226 /nfs/dbraw/zinc/70/72/26/584707226.db2.gz SIVWRECMYJSBBX-SWLSCSKDSA-N 0 3 246.354 3.024 20 30 BGEDHN CCOC[C@H](C)N[C@@H](CC)c1cccc(C#N)c1 ZINC000902964054 584707174 /nfs/dbraw/zinc/70/71/74/584707174.db2.gz SIVWRECMYJSBBX-WFASDCNBSA-N 0 3 246.354 3.024 20 30 BGEDHN CC(C)C(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902967367 584702289 /nfs/dbraw/zinc/70/22/89/584702289.db2.gz SJRZXBFAWIQCJX-GFCCVEGCSA-N 0 3 245.370 3.286 20 30 BGEDHN CC(C)C(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902967368 584702479 /nfs/dbraw/zinc/70/24/79/584702479.db2.gz SJRZXBFAWIQCJX-LBPRGKRZSA-N 0 3 245.370 3.286 20 30 BGEDHN CCC(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902973137 584713032 /nfs/dbraw/zinc/71/30/32/584713032.db2.gz ORWOKZBKPUQMRI-LLVKDONJSA-N 0 3 231.343 3.040 20 30 BGEDHN CCC(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902973138 584712988 /nfs/dbraw/zinc/71/29/88/584712988.db2.gz ORWOKZBKPUQMRI-NSHDSACASA-N 0 3 231.343 3.040 20 30 BGEDHN C[C@H](NC[C@@H]1CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902979941 584708257 /nfs/dbraw/zinc/70/82/57/584708257.db2.gz VYQZUUSCUHGDFD-DYEKYZERSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@H]1CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902979942 584708435 /nfs/dbraw/zinc/70/84/35/584708435.db2.gz VYQZUUSCUHGDFD-MBNYWOFBSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@@H]1CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902979943 584708465 /nfs/dbraw/zinc/70/84/65/584708465.db2.gz VYQZUUSCUHGDFD-OBJOEFQTSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@H]1CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902979944 584708566 /nfs/dbraw/zinc/70/85/66/584708566.db2.gz VYQZUUSCUHGDFD-SGMGOOAPSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@@H](NC[C@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980216 584708405 /nfs/dbraw/zinc/70/84/05/584708405.db2.gz YLAYWOUADQJEGW-BZPMIXESSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980218 584708480 /nfs/dbraw/zinc/70/84/80/584708480.db2.gz YLAYWOUADQJEGW-DYEKYZERSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980221 584708245 /nfs/dbraw/zinc/70/82/45/584708245.db2.gz YLAYWOUADQJEGW-MBNYWOFBSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@@H](NC[C@@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980222 584708370 /nfs/dbraw/zinc/70/83/70/584708370.db2.gz YLAYWOUADQJEGW-YRGRVCCFSA-N 0 3 243.354 3.040 20 30 BGEDHN C=CCC(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000903000658 584715785 /nfs/dbraw/zinc/71/57/85/584715785.db2.gz LYERFHSTPJKZCF-GFCCVEGCSA-N 0 3 243.354 3.206 20 30 BGEDHN C=CCC(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903000661 584715340 /nfs/dbraw/zinc/71/53/40/584715340.db2.gz LYERFHSTPJKZCF-LBPRGKRZSA-N 0 3 243.354 3.206 20 30 BGEDHN C[C@@H](NCC1=CCCCC1)c1cc(C#N)ccn1 ZINC000903002524 584716025 /nfs/dbraw/zinc/71/60/25/584716025.db2.gz DXXLOPHPFPVNLG-GFCCVEGCSA-N 0 3 241.338 3.104 20 30 BGEDHN C[C@H](NCC1=CCCCC1)c1cc(C#N)ccn1 ZINC000903002527 584716499 /nfs/dbraw/zinc/71/64/99/584716499.db2.gz DXXLOPHPFPVNLG-LBPRGKRZSA-N 0 3 241.338 3.104 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903015683 584713247 /nfs/dbraw/zinc/71/32/47/584713247.db2.gz AHHDDBVMQMCGPX-NJZAAPMLSA-N 0 3 243.354 3.038 20 30 BGEDHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903015684 584713094 /nfs/dbraw/zinc/71/30/94/584713094.db2.gz AHHDDBVMQMCGPX-UXIGCNINSA-N 0 3 243.354 3.038 20 30 BGEDHN C[C@H](CC(C)(C)C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903017552 584713111 /nfs/dbraw/zinc/71/31/11/584713111.db2.gz VHRASHAIRMMMCM-NEPJUHHUSA-N 0 3 245.370 3.429 20 30 BGEDHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000903017553 584713484 /nfs/dbraw/zinc/71/34/84/584713484.db2.gz VHRASHAIRMMMCM-NWDGAFQWSA-N 0 3 245.370 3.429 20 30 BGEDHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903017554 584713430 /nfs/dbraw/zinc/71/34/30/584713430.db2.gz VHRASHAIRMMMCM-RYUDHWBXSA-N 0 3 245.370 3.429 20 30 BGEDHN C[C@H](CC(C)(C)C)N[C@H](C)c1cc(C#N)ccn1 ZINC000903017555 584713209 /nfs/dbraw/zinc/71/32/09/584713209.db2.gz VHRASHAIRMMMCM-VXGBXAGGSA-N 0 3 245.370 3.429 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@@H]2CCCF)CCC1 ZINC000903031064 584717946 /nfs/dbraw/zinc/71/79/46/584717946.db2.gz BAXDOVXQMPLGTL-CHWSQXEVSA-N 0 3 238.350 3.188 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@@H]2CCCF)CCC1 ZINC000903031065 584717942 /nfs/dbraw/zinc/71/79/42/584717942.db2.gz BAXDOVXQMPLGTL-OLZOCXBDSA-N 0 3 238.350 3.188 20 30 BGEDHN N#CC1(CN[C@@H]2CCC[C@H]2CCCF)CCC1 ZINC000903031066 584718022 /nfs/dbraw/zinc/71/80/22/584718022.db2.gz BAXDOVXQMPLGTL-QWHCGFSZSA-N 0 3 238.350 3.188 20 30 BGEDHN N#CC1(CN[C@H]2CCC[C@H]2CCCF)CCC1 ZINC000903031067 584718216 /nfs/dbraw/zinc/71/82/16/584718216.db2.gz BAXDOVXQMPLGTL-STQMWFEESA-N 0 3 238.350 3.188 20 30 BGEDHN CC(C)CC[C@H](NCC1(C#N)CCC1)C1CC1 ZINC000903032545 584718353 /nfs/dbraw/zinc/71/83/53/584718353.db2.gz JQEQNQLRZQIDQR-AWEZNQCLSA-N 0 3 234.387 3.485 20 30 BGEDHN CC(C)CC[C@@H](NCC1(C#N)CCC1)C1CC1 ZINC000903032546 584718691 /nfs/dbraw/zinc/71/86/91/584718691.db2.gz JQEQNQLRZQIDQR-CQSZACIVSA-N 0 3 234.387 3.485 20 30 BGEDHN C=CCC[C@@H](NCC1(C#N)CCC1)C1CC1 ZINC000903033308 584718339 /nfs/dbraw/zinc/71/83/39/584718339.db2.gz SQDGSAMFQVCWFZ-CYBMUJFWSA-N 0 3 218.344 3.015 20 30 BGEDHN C=CCC[C@H](NCC1(C#N)CCC1)C1CC1 ZINC000903033309 584718635 /nfs/dbraw/zinc/71/86/35/584718635.db2.gz SQDGSAMFQVCWFZ-ZDUSSCGKSA-N 0 3 218.344 3.015 20 30 BGEDHN N#CC1(CNC(C2CCC2)C2CCC2)CCC1 ZINC000903033491 584718403 /nfs/dbraw/zinc/71/84/03/584718403.db2.gz VLHGASCVSKMXKE-UHFFFAOYSA-N 0 3 232.371 3.239 20 30 BGEDHN Cc1ccc([C@@H](C)NCC2(C#N)CCC2)c(O)c1 ZINC000903033666 584718323 /nfs/dbraw/zinc/71/83/23/584718323.db2.gz XEUFXCLIUBXOPN-GFCCVEGCSA-N 0 3 244.338 3.045 20 30 BGEDHN Cc1ccc([C@H](C)NCC2(C#N)CCC2)c(O)c1 ZINC000903033667 584718416 /nfs/dbraw/zinc/71/84/16/584718416.db2.gz XEUFXCLIUBXOPN-LBPRGKRZSA-N 0 3 244.338 3.045 20 30 BGEDHN CC(C)(C)[C@@H]1CC[C@@H]1NCC1(C#N)CCC1 ZINC000903035212 584719140 /nfs/dbraw/zinc/71/91/40/584719140.db2.gz LLUCOKCMJFYZKV-NEPJUHHUSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C)[C@H]1CC[C@H]1NCC1(C#N)CCC1 ZINC000903035213 584718853 /nfs/dbraw/zinc/71/88/53/584718853.db2.gz LLUCOKCMJFYZKV-NWDGAFQWSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C)[C@H]1CC[C@@H]1NCC1(C#N)CCC1 ZINC000903035214 584719125 /nfs/dbraw/zinc/71/91/25/584719125.db2.gz LLUCOKCMJFYZKV-RYUDHWBXSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)(C)[C@@H]1CC[C@H]1NCC1(C#N)CCC1 ZINC000903035215 584719196 /nfs/dbraw/zinc/71/91/96/584719196.db2.gz LLUCOKCMJFYZKV-VXGBXAGGSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](CCC(F)(F)F)NCC1(C#N)CCC1 ZINC000903035390 584718863 /nfs/dbraw/zinc/71/88/63/584718863.db2.gz NXKHGCRIKFXNGG-JTQLQIEISA-N 0 3 248.292 3.391 20 30 BGEDHN CC[C@H](CCC(F)(F)F)NCC1(C#N)CCC1 ZINC000903035391 584719100 /nfs/dbraw/zinc/71/91/00/584719100.db2.gz NXKHGCRIKFXNGG-SNVBAGLBSA-N 0 3 248.292 3.391 20 30 BGEDHN CC[C@@H](NCC1(C#N)CCC1)C(C)(C)CC ZINC000903035755 584719469 /nfs/dbraw/zinc/71/94/69/584719469.db2.gz UWPQHXVQHKNIGY-GFCCVEGCSA-N 0 3 222.376 3.485 20 30 BGEDHN CC[C@H](NCC1(C#N)CCC1)C(C)(C)CC ZINC000903035756 584719354 /nfs/dbraw/zinc/71/93/54/584719354.db2.gz UWPQHXVQHKNIGY-LBPRGKRZSA-N 0 3 222.376 3.485 20 30 BGEDHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCC1(C#N)CCC1 ZINC000903035905 584719458 /nfs/dbraw/zinc/71/94/58/584719458.db2.gz WCNGGISNPJKASW-AGIUHOORSA-N 0 3 232.371 3.095 20 30 BGEDHN CC1(C)[C@H](NCC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000903035906 584719492 /nfs/dbraw/zinc/71/94/92/584719492.db2.gz WCNGGISNPJKASW-FRRDWIJNSA-N 0 3 232.371 3.095 20 30 BGEDHN N#CC1(CN[C@H](C2CC2)C2CCCC2)CCC1 ZINC000903036028 584719501 /nfs/dbraw/zinc/71/95/01/584719501.db2.gz ZZDJTXRIHPJXBH-AWEZNQCLSA-N 0 3 232.371 3.239 20 30 BGEDHN N#CC1(CN[C@@H](C2CC2)C2CCCC2)CCC1 ZINC000903036029 584719456 /nfs/dbraw/zinc/71/94/56/584719456.db2.gz ZZDJTXRIHPJXBH-CQSZACIVSA-N 0 3 232.371 3.239 20 30 BGEDHN C[C@@H](N[C@H](C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000903042545 584720853 /nfs/dbraw/zinc/72/08/53/584720853.db2.gz YBRQZDCPKYOFMH-GHMZBOCLSA-N 0 3 231.343 3.038 20 30 BGEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903042546 584720802 /nfs/dbraw/zinc/72/08/02/584720802.db2.gz YBRQZDCPKYOFMH-WDEREUQCSA-N 0 3 231.343 3.038 20 30 BGEDHN C=CCCCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903043309 584721060 /nfs/dbraw/zinc/72/10/60/584721060.db2.gz VJRHONHDFGPENE-CYBMUJFWSA-N 0 3 243.354 3.350 20 30 BGEDHN C=CCCCCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903043310 584720880 /nfs/dbraw/zinc/72/08/80/584720880.db2.gz VJRHONHDFGPENE-ZDUSSCGKSA-N 0 3 243.354 3.350 20 30 BGEDHN CC[C@H](N[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047593 584723639 /nfs/dbraw/zinc/72/36/39/584723639.db2.gz AHSKAHIHVJEDPI-CABCVRRESA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@H](N[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047594 584723780 /nfs/dbraw/zinc/72/37/80/584723780.db2.gz AHSKAHIHVJEDPI-GJZGRUSLSA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@@H](N[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047595 584723738 /nfs/dbraw/zinc/72/37/38/584723738.db2.gz AHSKAHIHVJEDPI-HUUCEWRRSA-N 0 3 226.323 3.318 20 30 BGEDHN CC[C@@H](N[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047596 584723676 /nfs/dbraw/zinc/72/36/76/584723676.db2.gz AHSKAHIHVJEDPI-LSDHHAIUSA-N 0 3 226.323 3.318 20 30 BGEDHN C=CCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047634 584723793 /nfs/dbraw/zinc/72/37/93/584723793.db2.gz BFJWTOWGKXIWKV-SECBINFHSA-N 0 3 244.260 3.327 20 30 BGEDHN C=CCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047635 584723714 /nfs/dbraw/zinc/72/37/14/584723714.db2.gz BFJWTOWGKXIWKV-VIFPVBQESA-N 0 3 244.260 3.327 20 30 BGEDHN CCC(C)(C)[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000903048707 584723542 /nfs/dbraw/zinc/72/35/42/584723542.db2.gz SBONUQRYIXGAJL-NEPJUHHUSA-N 0 3 245.370 3.429 20 30 BGEDHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903048708 584723837 /nfs/dbraw/zinc/72/38/37/584723837.db2.gz SBONUQRYIXGAJL-NWDGAFQWSA-N 0 3 245.370 3.429 20 30 BGEDHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903048709 584723807 /nfs/dbraw/zinc/72/38/07/584723807.db2.gz SBONUQRYIXGAJL-RYUDHWBXSA-N 0 3 245.370 3.429 20 30 BGEDHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000903048710 584723624 /nfs/dbraw/zinc/72/36/24/584723624.db2.gz SBONUQRYIXGAJL-VXGBXAGGSA-N 0 3 245.370 3.429 20 30 BGEDHN CC[C@@H](C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903048723 584723670 /nfs/dbraw/zinc/72/36/70/584723670.db2.gz SLBAXQGOOFQBEF-NEPJUHHUSA-N 0 3 231.343 3.040 20 30 BGEDHN CC[C@H](C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903048724 584723683 /nfs/dbraw/zinc/72/36/83/584723683.db2.gz SLBAXQGOOFQBEF-NWDGAFQWSA-N 0 3 231.343 3.040 20 30 BGEDHN CC[C@H](C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903048725 584723700 /nfs/dbraw/zinc/72/37/00/584723700.db2.gz SLBAXQGOOFQBEF-RYUDHWBXSA-N 0 3 231.343 3.040 20 30 BGEDHN CC[C@@H](C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903048726 584723723 /nfs/dbraw/zinc/72/37/23/584723723.db2.gz SLBAXQGOOFQBEF-VXGBXAGGSA-N 0 3 231.343 3.040 20 30 BGEDHN C[C@@H](NCCCC1CCC1)c1cc(C#N)ccn1 ZINC000903051584 584724121 /nfs/dbraw/zinc/72/41/21/584724121.db2.gz QQPSJYDWHITTRQ-GFCCVEGCSA-N 0 3 243.354 3.184 20 30 BGEDHN C[C@H](NCCCC1CCC1)c1cc(C#N)ccn1 ZINC000903051585 584723929 /nfs/dbraw/zinc/72/39/29/584723929.db2.gz QQPSJYDWHITTRQ-LBPRGKRZSA-N 0 3 243.354 3.184 20 30 BGEDHN CC(C)CC1(N[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903056267 584722555 /nfs/dbraw/zinc/72/25/55/584722555.db2.gz KIIGXICMBNSKSZ-GFCCVEGCSA-N 0 3 243.354 3.183 20 30 BGEDHN CC(C)CC1(N[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903056268 584722427 /nfs/dbraw/zinc/72/24/27/584722427.db2.gz KIIGXICMBNSKSZ-LBPRGKRZSA-N 0 3 243.354 3.183 20 30 BGEDHN C=CC(C)(C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903063188 584722876 /nfs/dbraw/zinc/72/28/76/584722876.db2.gz ADLZXOYWAPIIGI-GFCCVEGCSA-N 0 3 243.354 3.206 20 30 BGEDHN C=CC(C)(C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903063190 584723020 /nfs/dbraw/zinc/72/30/20/584723020.db2.gz ADLZXOYWAPIIGI-LBPRGKRZSA-N 0 3 243.354 3.206 20 30 BGEDHN CC[C@@H](NCC(C)(C)F)c1cccc(C#N)c1 ZINC000903070632 584726059 /nfs/dbraw/zinc/72/60/59/584726059.db2.gz BICMMGIPHRAYMI-CYBMUJFWSA-N 0 3 234.318 3.347 20 30 BGEDHN CC[C@H](NCC(C)(C)F)c1cccc(C#N)c1 ZINC000903070633 584726120 /nfs/dbraw/zinc/72/61/20/584726120.db2.gz BICMMGIPHRAYMI-ZDUSSCGKSA-N 0 3 234.318 3.347 20 30 BGEDHN C=CCCC(C)(C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000903072364 584726464 /nfs/dbraw/zinc/72/64/64/584726464.db2.gz KIGNFSQDTHTNKS-CYBMUJFWSA-N 0 3 247.386 3.369 20 30 BGEDHN C=CCCC(C)(C)CN[C@H]1CCCc2c[nH]nc21 ZINC000903072365 584726171 /nfs/dbraw/zinc/72/61/71/584726171.db2.gz KIGNFSQDTHTNKS-ZDUSSCGKSA-N 0 3 247.386 3.369 20 30 BGEDHN CCC(C)(C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903072821 584726135 /nfs/dbraw/zinc/72/61/35/584726135.db2.gz NJTDRGGGIRGQBE-GFCCVEGCSA-N 0 3 245.370 3.430 20 30 BGEDHN CCC(C)(C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903072822 584726200 /nfs/dbraw/zinc/72/62/00/584726200.db2.gz NJTDRGGGIRGQBE-LBPRGKRZSA-N 0 3 245.370 3.430 20 30 BGEDHN C[C@H](CC1CCC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903078981 584724689 /nfs/dbraw/zinc/72/46/89/584724689.db2.gz ZAYMEIPMOLMIEY-NEPJUHHUSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](N[C@@H](C)CC1CCC1)c1cc(C#N)ccn1 ZINC000903078984 584724562 /nfs/dbraw/zinc/72/45/62/584724562.db2.gz ZAYMEIPMOLMIEY-NWDGAFQWSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](CC1CCC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903078985 584724356 /nfs/dbraw/zinc/72/43/56/584724356.db2.gz ZAYMEIPMOLMIEY-RYUDHWBXSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@H](CC1CCC1)N[C@H](C)c1cc(C#N)ccn1 ZINC000903078988 584724536 /nfs/dbraw/zinc/72/45/36/584724536.db2.gz ZAYMEIPMOLMIEY-VXGBXAGGSA-N 0 3 243.354 3.183 20 30 BGEDHN C[C@@H](NCCCCC1CC1)c1cc(C#N)ccn1 ZINC000903082567 584724962 /nfs/dbraw/zinc/72/49/62/584724962.db2.gz UPDGWQWUYNSCJR-GFCCVEGCSA-N 0 3 243.354 3.184 20 30 BGEDHN C[C@H](NCCCCC1CC1)c1cc(C#N)ccn1 ZINC000903082568 584724945 /nfs/dbraw/zinc/72/49/45/584724945.db2.gz UPDGWQWUYNSCJR-LBPRGKRZSA-N 0 3 243.354 3.184 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H]1CCCc2c[nH]nc21 ZINC000903084549 584725012 /nfs/dbraw/zinc/72/50/12/584725012.db2.gz FISAOIGZTGPIKR-CYBMUJFWSA-N 0 3 247.386 3.369 20 30 BGEDHN C=CC(C)(C)CCCN[C@H]1CCCc2c[nH]nc21 ZINC000903084550 584725016 /nfs/dbraw/zinc/72/50/16/584725016.db2.gz FISAOIGZTGPIKR-ZDUSSCGKSA-N 0 3 247.386 3.369 20 30 BGEDHN CCC[C@@H](C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903088403 584725097 /nfs/dbraw/zinc/72/50/97/584725097.db2.gz QAUWPJZPURERKH-CHWSQXEVSA-N 0 3 245.370 3.430 20 30 BGEDHN CCC[C@@H](C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903088404 584725582 /nfs/dbraw/zinc/72/55/82/584725582.db2.gz QAUWPJZPURERKH-OLZOCXBDSA-N 0 3 245.370 3.430 20 30 BGEDHN CCC[C@H](C)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903088405 584725317 /nfs/dbraw/zinc/72/53/17/584725317.db2.gz QAUWPJZPURERKH-QWHCGFSZSA-N 0 3 245.370 3.430 20 30 BGEDHN CCC[C@H](C)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903088406 584725210 /nfs/dbraw/zinc/72/52/10/584725210.db2.gz QAUWPJZPURERKH-STQMWFEESA-N 0 3 245.370 3.430 20 30 BGEDHN C[C@@H](NC[C@]1(C)CC1(C)C)c1cc(C#N)ccn1 ZINC000903089459 584725570 /nfs/dbraw/zinc/72/55/70/584725570.db2.gz XDEOQUXKMZRGCC-ABAIWWIYSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@@H](NC[C@@]1(C)CC1(C)C)c1cc(C#N)ccn1 ZINC000903089460 584725433 /nfs/dbraw/zinc/72/54/33/584725433.db2.gz XDEOQUXKMZRGCC-IAQYHMDHSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@]1(C)CC1(C)C)c1cc(C#N)ccn1 ZINC000903089461 584725267 /nfs/dbraw/zinc/72/52/67/584725267.db2.gz XDEOQUXKMZRGCC-NHYWBVRUSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NC[C@@]1(C)CC1(C)C)c1cc(C#N)ccn1 ZINC000903089462 584725585 /nfs/dbraw/zinc/72/55/85/584725585.db2.gz XDEOQUXKMZRGCC-XHDPSFHLSA-N 0 3 243.354 3.040 20 30 BGEDHN CCC[C@@H](C)[C@H](CC)NCC(C)(C)C#N ZINC000903099993 584726814 /nfs/dbraw/zinc/72/68/14/584726814.db2.gz FJUPWXPSJDMHFF-NEPJUHHUSA-N 0 3 210.365 3.341 20 30 BGEDHN CCC[C@H](C)[C@@H](CC)NCC(C)(C)C#N ZINC000903099994 584726705 /nfs/dbraw/zinc/72/67/05/584726705.db2.gz FJUPWXPSJDMHFF-NWDGAFQWSA-N 0 3 210.365 3.341 20 30 BGEDHN CCC[C@H](C)[C@H](CC)NCC(C)(C)C#N ZINC000903099995 584726718 /nfs/dbraw/zinc/72/67/18/584726718.db2.gz FJUPWXPSJDMHFF-RYUDHWBXSA-N 0 3 210.365 3.341 20 30 BGEDHN CCC[C@@H](C)[C@@H](CC)NCC(C)(C)C#N ZINC000903099996 584726832 /nfs/dbraw/zinc/72/68/32/584726832.db2.gz FJUPWXPSJDMHFF-VXGBXAGGSA-N 0 3 210.365 3.341 20 30 BGEDHN CC(C)(C#N)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000903100009 584726895 /nfs/dbraw/zinc/72/68/95/584726895.db2.gz FYTWUIKBFQRQAX-HNNXBMFYSA-N 0 3 242.366 3.147 20 30 BGEDHN CC(C)(C#N)CN[C@H](Cc1ccccc1)C1CC1 ZINC000903100010 584726789 /nfs/dbraw/zinc/72/67/89/584726789.db2.gz FYTWUIKBFQRQAX-OAHLLOKOSA-N 0 3 242.366 3.147 20 30 BGEDHN Cc1ccc([C@@H](C)NCC(C)(C)C#N)c(O)c1C ZINC000903100240 584727516 /nfs/dbraw/zinc/72/75/16/584727516.db2.gz LBWZRBSOLLVNFA-GFCCVEGCSA-N 0 3 246.354 3.209 20 30 BGEDHN Cc1ccc([C@H](C)NCC(C)(C)C#N)c(O)c1C ZINC000903100241 584727492 /nfs/dbraw/zinc/72/74/92/584727492.db2.gz LBWZRBSOLLVNFA-LBPRGKRZSA-N 0 3 246.354 3.209 20 30 BGEDHN CC[C@H](CCC(F)(F)F)NCC(C)(C)C#N ZINC000903101361 584727416 /nfs/dbraw/zinc/72/74/16/584727416.db2.gz FYTMAHSDEOXNSU-SECBINFHSA-N 0 3 236.281 3.247 20 30 BGEDHN CC[C@@H](CCC(F)(F)F)NCC(C)(C)C#N ZINC000903101362 584727043 /nfs/dbraw/zinc/72/70/43/584727043.db2.gz FYTMAHSDEOXNSU-VIFPVBQESA-N 0 3 236.281 3.247 20 30 BGEDHN CC[C@@H](NCC(C)(C)C#N)c1ccc(C)cc1O ZINC000903102059 584727629 /nfs/dbraw/zinc/72/76/29/584727629.db2.gz QWNRZNITZAXDHP-CYBMUJFWSA-N 0 3 246.354 3.291 20 30 BGEDHN CC[C@H](NCC(C)(C)C#N)c1ccc(C)cc1O ZINC000903102060 584727582 /nfs/dbraw/zinc/72/75/82/584727582.db2.gz QWNRZNITZAXDHP-ZDUSSCGKSA-N 0 3 246.354 3.291 20 30 BGEDHN Cc1cc(C)c([C@@H](C)NCC(C)(C)C#N)c(O)c1 ZINC000903102435 710891058 /nfs/dbraw/zinc/89/10/58/710891058.db2.gz ZMVDPMNLXCSLFT-GFCCVEGCSA-N 0 3 246.354 3.209 20 30 BGEDHN Cc1cc(C)c([C@H](C)NCC(C)(C)C#N)c(O)c1 ZINC000903102436 710890827 /nfs/dbraw/zinc/89/08/27/710890827.db2.gz ZMVDPMNLXCSLFT-LBPRGKRZSA-N 0 3 246.354 3.209 20 30 BGEDHN CC(C)CC[C@@H](NCC1(C#N)CC1)C1CC1 ZINC000903105615 584727976 /nfs/dbraw/zinc/72/79/76/584727976.db2.gz GCUQEWQFHGZDOM-CYBMUJFWSA-N 0 3 220.360 3.095 20 30 BGEDHN CC(C)CC[C@H](NCC1(C#N)CC1)C1CC1 ZINC000903105616 584728014 /nfs/dbraw/zinc/72/80/14/584728014.db2.gz GCUQEWQFHGZDOM-ZDUSSCGKSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](NCC1(C#N)CC1)c1ccc(C)cc1O ZINC000903105660 584727969 /nfs/dbraw/zinc/72/79/69/584727969.db2.gz HIBPJNPSWZPSAT-CYBMUJFWSA-N 0 3 244.338 3.045 20 30 BGEDHN CC[C@H](NCC1(C#N)CC1)c1ccc(C)cc1O ZINC000903105661 584727991 /nfs/dbraw/zinc/72/79/91/584727991.db2.gz HIBPJNPSWZPSAT-ZDUSSCGKSA-N 0 3 244.338 3.045 20 30 BGEDHN CC[C@@H]1C[C@H](C)CC[C@H]1NCC1(C#N)CC1 ZINC000903105666 584727805 /nfs/dbraw/zinc/72/78/05/584727805.db2.gz HMMQMENJXQXSMM-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCC1(C#N)CC1 ZINC000903105667 584728103 /nfs/dbraw/zinc/72/81/03/584728103.db2.gz HMMQMENJXQXSMM-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCC1(C#N)CC1 ZINC000903105668 584727956 /nfs/dbraw/zinc/72/79/56/584727956.db2.gz HMMQMENJXQXSMM-XQQFMLRXSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCC1(C#N)CC1 ZINC000903105669 584727932 /nfs/dbraw/zinc/72/79/32/584727932.db2.gz HMMQMENJXQXSMM-YNEHKIRRSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H](CCc1ccccc1)NCC1(C#N)CC1 ZINC000903106077 584727996 /nfs/dbraw/zinc/72/79/96/584727996.db2.gz MIZOMLXUXMFNKV-HNNXBMFYSA-N 0 3 242.366 3.291 20 30 BGEDHN CC[C@H](CCc1ccccc1)NCC1(C#N)CC1 ZINC000903106078 584727978 /nfs/dbraw/zinc/72/79/78/584727978.db2.gz MIZOMLXUXMFNKV-OAHLLOKOSA-N 0 3 242.366 3.291 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCC1(C#N)CC1 ZINC000903106401 584728492 /nfs/dbraw/zinc/72/84/92/584728492.db2.gz PFHSFQXSCUGAQT-JHJVBQTASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCC1(C#N)CC1 ZINC000903106402 584728689 /nfs/dbraw/zinc/72/86/89/584728689.db2.gz PFHSFQXSCUGAQT-UPJWGTAASA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCC1(C#N)CC1 ZINC000903106403 584728643 /nfs/dbraw/zinc/72/86/43/584728643.db2.gz PFHSFQXSCUGAQT-XQQFMLRXSA-N 0 3 220.360 3.095 20 30 BGEDHN CC[C@@H]1CC[C@H](C)C[C@H]1NCC1(C#N)CC1 ZINC000903106404 584728505 /nfs/dbraw/zinc/72/85/05/584728505.db2.gz PFHSFQXSCUGAQT-YNEHKIRRSA-N 0 3 220.360 3.095 20 30 BGEDHN CCC[C@@H](C)[C@H](CC)NCC1(C#N)CC1 ZINC000903106848 584728702 /nfs/dbraw/zinc/72/87/02/584728702.db2.gz WSBRFMMQGDUOFX-NEPJUHHUSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@H](C)[C@@H](CC)NCC1(C#N)CC1 ZINC000903106849 584728417 /nfs/dbraw/zinc/72/84/17/584728417.db2.gz WSBRFMMQGDUOFX-NWDGAFQWSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@H](C)[C@H](CC)NCC1(C#N)CC1 ZINC000903106850 584728458 /nfs/dbraw/zinc/72/84/58/584728458.db2.gz WSBRFMMQGDUOFX-RYUDHWBXSA-N 0 3 208.349 3.095 20 30 BGEDHN CCC[C@@H](C)[C@@H](CC)NCC1(C#N)CC1 ZINC000903106851 584728440 /nfs/dbraw/zinc/72/84/40/584728440.db2.gz WSBRFMMQGDUOFX-VXGBXAGGSA-N 0 3 208.349 3.095 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)c1ccccc1O ZINC000903109014 710892734 /nfs/dbraw/zinc/89/27/34/710892734.db2.gz KGLPXUKKSNAMQJ-GFCCVEGCSA-N 0 3 244.338 3.127 20 30 BGEDHN C[C@H](NCC1(C#N)CCCC1)C(C)(C)C(F)F ZINC000903110022 637342143 /nfs/dbraw/zinc/34/21/43/637342143.db2.gz YZYLMBLNZWNWMI-JTQLQIEISA-N 0 3 244.329 3.340 20 30 BGEDHN C[C@@H](NCC1(C#N)CCCC1)C(C)(C)C(F)F ZINC000903110023 637342771 /nfs/dbraw/zinc/34/27/71/637342771.db2.gz YZYLMBLNZWNWMI-SNVBAGLBSA-N 0 3 244.329 3.340 20 30 BGEDHN CC(C)(CC#N)CN[C@H](c1ccccn1)C1CC1 ZINC000903187127 637355751 /nfs/dbraw/zinc/35/57/51/637355751.db2.gz YSGPHZOGSIUOCZ-AWEZNQCLSA-N 0 3 243.354 3.062 20 30 BGEDHN CC(C)(CC#N)CN[C@@H](c1ccccn1)C1CC1 ZINC000903187228 637355147 /nfs/dbraw/zinc/35/51/47/637355147.db2.gz YSGPHZOGSIUOCZ-CQSZACIVSA-N 0 3 243.354 3.062 20 30 BGEDHN C[C@@H](NCC(C)(C)C1CC1)c1cc(C#N)ccn1 ZINC000903239504 584738098 /nfs/dbraw/zinc/73/80/98/584738098.db2.gz GKJODUIJTJIZFA-LLVKDONJSA-N 0 3 243.354 3.040 20 30 BGEDHN C[C@H](NCC(C)(C)C1CC1)c1cc(C#N)ccn1 ZINC000903239505 584738122 /nfs/dbraw/zinc/73/81/22/584738122.db2.gz GKJODUIJTJIZFA-NSHDSACASA-N 0 3 243.354 3.040 20 30 BGEDHN CCCCC1(N[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903313134 584748558 /nfs/dbraw/zinc/74/85/58/584748558.db2.gz IURXNOFCHQQWND-GFCCVEGCSA-N 0 3 243.354 3.327 20 30 BGEDHN CCCCC1(N[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903313135 584748614 /nfs/dbraw/zinc/74/86/14/584748614.db2.gz IURXNOFCHQQWND-LBPRGKRZSA-N 0 3 243.354 3.327 20 30 BGEDHN C=CCC[C@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903329122 584754160 /nfs/dbraw/zinc/75/41/60/584754160.db2.gz BMZIKNNHVSUYSZ-KBPBESRZSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CCC[C@@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903329123 584754057 /nfs/dbraw/zinc/75/40/57/584754057.db2.gz BMZIKNNHVSUYSZ-KGLIPLIRSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CCC[C@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903329124 584754137 /nfs/dbraw/zinc/75/41/37/584754137.db2.gz BMZIKNNHVSUYSZ-UONOGXRCSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CCC[C@@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903329125 584754145 /nfs/dbraw/zinc/75/41/45/584754145.db2.gz BMZIKNNHVSUYSZ-ZIAGYGMSSA-N 0 3 245.370 3.262 20 30 BGEDHN C=CCC[C@@H](NC1CC(CCO)C1)c1ccco1 ZINC000903331509 584754255 /nfs/dbraw/zinc/75/42/55/584754255.db2.gz XWWISDRAAZOFKV-JXQTWKCFSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CCC[C@H](NC1CC(CCO)C1)c1ccco1 ZINC000903331510 584754351 /nfs/dbraw/zinc/75/43/51/584754351.db2.gz XWWISDRAAZOFKV-RUXDESIVSA-N 0 3 249.354 3.038 20 30 BGEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903334323 584751585 /nfs/dbraw/zinc/75/15/85/584751585.db2.gz XQGDOUVYVUSFDH-OBJOEFQTSA-N 0 3 245.370 3.118 20 30 BGEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903334324 584751484 /nfs/dbraw/zinc/75/14/84/584751484.db2.gz XQGDOUVYVUSFDH-OUCADQQQSA-N 0 3 245.370 3.118 20 30 BGEDHN 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C=CC[C@@H](C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000925432409 641987234 /nfs/dbraw/zinc/98/72/34/641987234.db2.gz SHPFNPXLBZXPQL-ZJUUUORDSA-N 0 3 223.291 3.147 20 30 BGEDHN C=CCCC[C@@H](C)N[C@H](C)c1cc(OC)no1 ZINC000925711181 634408642 /nfs/dbraw/zinc/40/86/42/634408642.db2.gz XFMTYRONRDBGLK-GHMZBOCLSA-N 0 3 238.331 3.079 20 30 BGEDHN C=CCCC[C@@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000925711184 634409708 /nfs/dbraw/zinc/40/97/08/634409708.db2.gz XFMTYRONRDBGLK-MNOVXSKESA-N 0 3 238.331 3.079 20 30 BGEDHN C=CCCC[C@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000925711187 634409369 /nfs/dbraw/zinc/40/93/69/634409369.db2.gz XFMTYRONRDBGLK-QWRGUYRKSA-N 0 3 238.331 3.079 20 30 BGEDHN C=CCCC[C@H](C)N[C@H](C)c1cc(OC)no1 ZINC000925711190 634410007 /nfs/dbraw/zinc/41/00/07/634410007.db2.gz XFMTYRONRDBGLK-WDEREUQCSA-N 0 3 238.331 3.079 20 30 BGEDHN Cc1cc(C)nc(N[C@H](C)CC(C)(C)C#N)c1 ZINC000925934625 643074852 /nfs/dbraw/zinc/07/48/52/643074852.db2.gz MDHYFPJZERLIOA-GFCCVEGCSA-N 0 3 231.343 3.439 20 30 BGEDHN Cc1cc(C)nc(N[C@@H](C)CC(C)(C)C#N)c1 ZINC000925934626 643075061 /nfs/dbraw/zinc/07/50/61/643075061.db2.gz MDHYFPJZERLIOA-LBPRGKRZSA-N 0 3 231.343 3.439 20 30 BGEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1cncc(F)c1 ZINC000926126516 641181563 /nfs/dbraw/zinc/18/15/63/641181563.db2.gz CXEFIIFNYOAMSD-GHMZBOCLSA-N 0 3 249.333 3.200 20 30 BGEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cncc(F)c1 ZINC000926126518 641180958 /nfs/dbraw/zinc/18/09/58/641180958.db2.gz CXEFIIFNYOAMSD-MNOVXSKESA-N 0 3 249.333 3.200 20 30 BGEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cncc(F)c1 ZINC000926126519 641180317 /nfs/dbraw/zinc/18/03/17/641180317.db2.gz CXEFIIFNYOAMSD-QWRGUYRKSA-N 0 3 249.333 3.200 20 30 BGEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cncc(F)c1 ZINC000926126520 641181073 /nfs/dbraw/zinc/18/10/73/641181073.db2.gz CXEFIIFNYOAMSD-WDEREUQCSA-N 0 3 249.333 3.200 20 30 BGEDHN C=CCCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000926198234 646592345 /nfs/dbraw/zinc/59/23/45/646592345.db2.gz JXURJQRIYPGKRO-GFCCVEGCSA-N 0 3 234.343 3.306 20 30 BGEDHN C=CCCCCN[C@H]1CCCc2oc(C)nc21 ZINC000926198235 646591763 /nfs/dbraw/zinc/59/17/63/646591763.db2.gz JXURJQRIYPGKRO-LBPRGKRZSA-N 0 3 234.343 3.306 20 30 BGEDHN C=CCCC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926319849 646616374 /nfs/dbraw/zinc/61/63/74/646616374.db2.gz IIRMDUUWHMVHPM-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=CCCC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926319850 646616418 /nfs/dbraw/zinc/61/64/18/646616418.db2.gz IIRMDUUWHMVHPM-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=CC[C@@H](CC)N[C@H]1CCCc2oc(C)nc21 ZINC000926351362 631732944 /nfs/dbraw/zinc/73/29/44/631732944.db2.gz PCBOGZAAPHJXFY-NEPJUHHUSA-N 0 3 234.343 3.305 20 30 BGEDHN C=CC[C@H](CC)N[C@@H]1CCCc2oc(C)nc21 ZINC000926351365 631732815 /nfs/dbraw/zinc/73/28/15/631732815.db2.gz PCBOGZAAPHJXFY-NWDGAFQWSA-N 0 3 234.343 3.305 20 30 BGEDHN C=CC[C@H](CC)N[C@H]1CCCc2oc(C)nc21 ZINC000926351367 631732684 /nfs/dbraw/zinc/73/26/84/631732684.db2.gz PCBOGZAAPHJXFY-RYUDHWBXSA-N 0 3 234.343 3.305 20 30 BGEDHN C=CC[C@@H](CC)N[C@@H]1CCCc2oc(C)nc21 ZINC000926351368 631732952 /nfs/dbraw/zinc/73/29/52/631732952.db2.gz PCBOGZAAPHJXFY-VXGBXAGGSA-N 0 3 234.343 3.305 20 30 BGEDHN C=C(C)CC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926518853 645250088 /nfs/dbraw/zinc/25/00/88/645250088.db2.gz JYBBHNAQQCNHGK-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(C)CC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926518854 645249670 /nfs/dbraw/zinc/24/96/70/645249670.db2.gz JYBBHNAQQCNHGK-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=CC(C)(C)CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926519334 645251411 /nfs/dbraw/zinc/25/14/11/645251411.db2.gz FSTJPDYBHMJOID-GFCCVEGCSA-N 0 3 247.386 3.082 20 30 BGEDHN C=CC(C)(C)CN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926519336 645253499 /nfs/dbraw/zinc/25/34/99/645253499.db2.gz FSTJPDYBHMJOID-LBPRGKRZSA-N 0 3 247.386 3.082 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926519383 632425020 /nfs/dbraw/zinc/42/50/20/632425020.db2.gz GCMSQEDXPZUVAU-JTQLQIEISA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)C[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926519384 632425463 /nfs/dbraw/zinc/42/54/63/632425463.db2.gz GCMSQEDXPZUVAU-SNVBAGLBSA-N 0 3 237.318 3.394 20 30 BGEDHN C=CC(C)(C)CN[C@@H]1CCCc2oc(C)nc21 ZINC000926522923 645251833 /nfs/dbraw/zinc/25/18/33/645251833.db2.gz SHFMCFSPTXPKIM-LLVKDONJSA-N 0 3 234.343 3.162 20 30 BGEDHN C=CC(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000926522926 645252499 /nfs/dbraw/zinc/25/24/99/645252499.db2.gz SHFMCFSPTXPKIM-NSHDSACASA-N 0 3 234.343 3.162 20 30 BGEDHN C=CCC1(CN[C@H](C)c2nonc2C)CCCC1 ZINC000926539566 645262823 /nfs/dbraw/zinc/26/28/23/645262823.db2.gz GNKMFLMYYQGILN-LLVKDONJSA-N 0 3 249.358 3.165 20 30 BGEDHN C=CCC1(CN[C@@H](C)c2nonc2C)CCCC1 ZINC000926539567 645263580 /nfs/dbraw/zinc/26/35/80/645263580.db2.gz GNKMFLMYYQGILN-NSHDSACASA-N 0 3 249.358 3.165 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccnn1C1CCC1 ZINC000926548837 645270579 /nfs/dbraw/zinc/27/05/79/645270579.db2.gz BYBNKDHRLUTTNQ-GFCCVEGCSA-N 0 3 233.359 3.225 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccnn1C1CCC1 ZINC000926548839 645270688 /nfs/dbraw/zinc/27/06/88/645270688.db2.gz BYBNKDHRLUTTNQ-LBPRGKRZSA-N 0 3 233.359 3.225 20 30 BGEDHN C=C(CC)C[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926549281 645270858 /nfs/dbraw/zinc/27/08/58/645270858.db2.gz HKKTYOYAMGBJDX-JTQLQIEISA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(CC)C[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926549283 645271581 /nfs/dbraw/zinc/27/15/81/645271581.db2.gz HKKTYOYAMGBJDX-SNVBAGLBSA-N 0 3 223.291 3.148 20 30 BGEDHN C=C(CC)CN[C@H](C)c1ccnn1CC1CCC1 ZINC000926550499 645273890 /nfs/dbraw/zinc/27/38/90/645273890.db2.gz MOZDNXXLFOOJOR-CYBMUJFWSA-N 0 3 247.386 3.300 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000926550636 645273852 /nfs/dbraw/zinc/27/38/52/645273852.db2.gz MOZDNXXLFOOJOR-ZDUSSCGKSA-N 0 3 247.386 3.300 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cccc2c1OCO2 ZINC000926552224 632487900 /nfs/dbraw/zinc/48/79/00/632487900.db2.gz SYAXFTLBGWMQMJ-LLVKDONJSA-N 0 3 233.311 3.032 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cccc2c1OCO2 ZINC000926552233 632488136 /nfs/dbraw/zinc/48/81/36/632488136.db2.gz SYAXFTLBGWMQMJ-NSHDSACASA-N 0 3 233.311 3.032 20 30 BGEDHN C=C(CC)CN[C@H](CC)c1cccc(OC)n1 ZINC000926552414 645273805 /nfs/dbraw/zinc/27/38/05/645273805.db2.gz VIYMUPSWMSRJIQ-GFCCVEGCSA-N 0 3 234.343 3.097 20 30 BGEDHN C=C(CC)CN[C@@H](CC)c1cccc(OC)n1 ZINC000926552416 645274173 /nfs/dbraw/zinc/27/41/73/645274173.db2.gz VIYMUPSWMSRJIQ-LBPRGKRZSA-N 0 3 234.343 3.097 20 30 BGEDHN C=C(CC)CN[C@@H]1CCc2c1nccc2Cl ZINC000926552860 645275989 /nfs/dbraw/zinc/27/59/89/645275989.db2.gz YKEPWQUPDXHZKV-GFCCVEGCSA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(CC)CN[C@H]1CCc2c1nccc2Cl ZINC000926552861 645277629 /nfs/dbraw/zinc/27/76/29/645277629.db2.gz YKEPWQUPDXHZKV-LBPRGKRZSA-N 0 3 236.746 3.278 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926552894 645275467 /nfs/dbraw/zinc/27/54/67/645275467.db2.gz ZNDVAKXMHNCAPE-GFCCVEGCSA-N 0 3 233.359 3.225 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926552897 645276083 /nfs/dbraw/zinc/27/60/83/645276083.db2.gz ZNDVAKXMHNCAPE-LBPRGKRZSA-N 0 3 233.359 3.225 20 30 BGEDHN C=CCCCCCN[C@H](C)c1cc(OC)no1 ZINC000926667473 645344571 /nfs/dbraw/zinc/34/45/71/645344571.db2.gz ZYIMXDQYYJGPIU-LLVKDONJSA-N 0 3 238.331 3.080 20 30 BGEDHN C=CCCCCCN[C@@H](C)c1cc(OC)no1 ZINC000926667475 645345520 /nfs/dbraw/zinc/34/55/20/645345520.db2.gz ZYIMXDQYYJGPIU-NSHDSACASA-N 0 3 238.331 3.080 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nonc1C ZINC000926675293 632808167 /nfs/dbraw/zinc/80/81/67/632808167.db2.gz GYLMUYDACQMSMX-CYZMBNFOSA-N 0 3 249.358 3.164 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nonc1C ZINC000926675295 632807627 /nfs/dbraw/zinc/80/76/27/632807627.db2.gz GYLMUYDACQMSMX-RAIGVLPGSA-N 0 3 249.358 3.164 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nonc1C ZINC000926675297 632807776 /nfs/dbraw/zinc/80/77/76/632807776.db2.gz GYLMUYDACQMSMX-RTXFEEFZSA-N 0 3 249.358 3.164 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nonc1C ZINC000926675299 632808181 /nfs/dbraw/zinc/80/81/81/632808181.db2.gz GYLMUYDACQMSMX-UHTWSYAYSA-N 0 3 249.358 3.164 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncco1 ZINC000926678801 632810654 /nfs/dbraw/zinc/81/06/54/632810654.db2.gz WESSFLATBWJNPH-JHJVBQTASA-N 0 3 234.343 3.460 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncco1 ZINC000926678802 632810903 /nfs/dbraw/zinc/81/09/03/632810903.db2.gz WESSFLATBWJNPH-UPJWGTAASA-N 0 3 234.343 3.460 20 30 BGEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000926678803 632810408 /nfs/dbraw/zinc/81/04/08/632810408.db2.gz WESSFLATBWJNPH-XQQFMLRXSA-N 0 3 234.343 3.460 20 30 BGEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncco1 ZINC000926678804 632810344 /nfs/dbraw/zinc/81/03/44/632810344.db2.gz WESSFLATBWJNPH-YNEHKIRRSA-N 0 3 234.343 3.460 20 30 BGEDHN C=CCCSCCN[C@@H](C)c1ccns1 ZINC000926685309 645354411 /nfs/dbraw/zinc/35/44/11/645354411.db2.gz MMGPSOHRNSQYBE-JTQLQIEISA-N 0 3 242.413 3.103 20 30 BGEDHN C=CCCSCCN[C@H](C)c1ccns1 ZINC000926685311 645355311 /nfs/dbraw/zinc/35/53/11/645355311.db2.gz MMGPSOHRNSQYBE-SNVBAGLBSA-N 0 3 242.413 3.103 20 30 BGEDHN C=CCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000926685699 645355609 /nfs/dbraw/zinc/35/56/09/645355609.db2.gz PWTXCHUJASUBNJ-GFCCVEGCSA-N 0 3 237.730 3.077 20 30 BGEDHN C=CCCN[C@H]1COCc2cccc(Cl)c21 ZINC000926685701 645354333 /nfs/dbraw/zinc/35/43/33/645354333.db2.gz PWTXCHUJASUBNJ-LBPRGKRZSA-N 0 3 237.730 3.077 20 30 BGEDHN C=C[C@H](CO)N[C@H](C)c1csc2ccccc21 ZINC000926728666 645390731 /nfs/dbraw/zinc/39/07/31/645390731.db2.gz UYDDHHYRKZPDHB-GHMZBOCLSA-N 0 3 247.363 3.099 20 30 BGEDHN C=C[C@H](CO)N[C@@H](C)c1csc2ccccc21 ZINC000926728667 645388932 /nfs/dbraw/zinc/38/89/32/645388932.db2.gz UYDDHHYRKZPDHB-WDEREUQCSA-N 0 3 247.363 3.099 20 30 BGEDHN C=CC(C)(C)CCCN[C@H](C)c1cn(C)cn1 ZINC000926823003 645444735 /nfs/dbraw/zinc/44/47/35/645444735.db2.gz RTMKSOVCVRTUMJ-GFCCVEGCSA-N 0 3 235.375 3.063 20 30 BGEDHN C=CC(C)(C)CCCN[C@@H](C)c1cn(C)cn1 ZINC000926823005 645443508 /nfs/dbraw/zinc/44/35/08/645443508.db2.gz RTMKSOVCVRTUMJ-LBPRGKRZSA-N 0 3 235.375 3.063 20 30 BGEDHN CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCC1(C#N)CC1 ZINC000926873816 633757465 /nfs/dbraw/zinc/75/74/65/633757465.db2.gz JGDMCVVESLZDOO-AGIUHOORSA-N 0 3 232.371 3.095 20 30 BGEDHN CC1(C)[C@H](NCC2(C#N)CC2)[C@@H]2CCCC[C@@H]21 ZINC000926873817 633758771 /nfs/dbraw/zinc/75/87/71/633758771.db2.gz JGDMCVVESLZDOO-FRRDWIJNSA-N 0 3 232.371 3.095 20 30 BGEDHN CC(C)=C1CC[C@@H](C)C[C@@H]1NCC1(C#N)CC1 ZINC000926875143 645468715 /nfs/dbraw/zinc/46/87/15/645468715.db2.gz VYEYKIIBIZJSSX-OCCSQVGLSA-N 0 3 232.371 3.405 20 30 BGEDHN CC(C)=C1CC[C@@H](C)C[C@H]1NCC1(C#N)CC1 ZINC000926875146 645468424 /nfs/dbraw/zinc/46/84/24/645468424.db2.gz VYEYKIIBIZJSSX-TZMCWYRMSA-N 0 3 232.371 3.405 20 30 BGEDHN N#CC1(CNC2CC3(C2)CCCC3)CCCC1 ZINC000926877139 645472271 /nfs/dbraw/zinc/47/22/71/645472271.db2.gz AEEQRIRWGKMTHH-UHFFFAOYSA-N 0 3 232.371 3.383 20 30 BGEDHN C=C1CCC(CN[C@H](C)c2cc(C)on2)CC1 ZINC000926925196 645490319 /nfs/dbraw/zinc/49/03/19/645490319.db2.gz IVVYHJLPDLSPOQ-GFCCVEGCSA-N 0 3 234.343 3.380 20 30 BGEDHN C=C1CCC(CN[C@@H](C)c2cc(C)on2)CC1 ZINC000926925198 645490283 /nfs/dbraw/zinc/49/02/83/645490283.db2.gz IVVYHJLPDLSPOQ-LBPRGKRZSA-N 0 3 234.343 3.380 20 30 BGEDHN C=CCN(C/C=C(/C)COC)Cc1ccccc1 ZINC000929162331 645981790 /nfs/dbraw/zinc/98/17/90/645981790.db2.gz KKAYTDBFADYATP-GDNBJRDFSA-N 0 3 245.366 3.267 20 30 BGEDHN C=CCN(C/C=C(\C)COC)Cc1ccccc1 ZINC000929162332 645982077 /nfs/dbraw/zinc/98/20/77/645982077.db2.gz KKAYTDBFADYATP-XNTDXEJSSA-N 0 3 245.366 3.267 20 30 BGEDHN C=C(C)CN(CC)[C@H](C)c1ccc(F)nc1 ZINC000929218694 646017153 /nfs/dbraw/zinc/01/71/53/646017153.db2.gz STRQQHTYOAPDPK-LLVKDONJSA-N 0 3 222.307 3.180 20 30 BGEDHN C=C(C)CN(CC)[C@@H](C)c1ccc(F)nc1 ZINC000929218695 646017822 /nfs/dbraw/zinc/01/78/22/646017822.db2.gz STRQQHTYOAPDPK-NSHDSACASA-N 0 3 222.307 3.180 20 30 BGEDHN C=C(C)CN(CC)Cc1cc(C)cc(C)n1 ZINC000929219670 646017121 /nfs/dbraw/zinc/01/71/21/646017121.db2.gz UKVKRXIDOCLCFV-UHFFFAOYSA-N 0 3 218.344 3.096 20 30 BGEDHN C=CCN(Cc1cc(C)cc(C)n1)C(C)C ZINC000929291761 646059883 /nfs/dbraw/zinc/05/98/83/646059883.db2.gz CUGATRRJIBRFOV-UHFFFAOYSA-N 0 3 218.344 3.095 20 30 BGEDHN CCN(CCCCC1(C#N)CCC1)C[C@@H](C)C#N ZINC000929430327 646117720 /nfs/dbraw/zinc/11/77/20/646117720.db2.gz UIDSBIAUBBPNFF-AWEZNQCLSA-N 0 3 247.386 3.332 20 30 BGEDHN CCN(CCCCC1(C#N)CCC1)C[C@H](C)C#N ZINC000929430328 646116940 /nfs/dbraw/zinc/11/69/40/646116940.db2.gz UIDSBIAUBBPNFF-CQSZACIVSA-N 0 3 247.386 3.332 20 30 BGEDHN C=C1CCN(C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929603210 641375509 /nfs/dbraw/zinc/37/55/09/641375509.db2.gz HOGVIEIWIFKRAB-AWEZNQCLSA-N 0 3 235.371 3.130 20 30 BGEDHN C=C1CCN(C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929603214 641375101 /nfs/dbraw/zinc/37/51/01/641375101.db2.gz HOGVIEIWIFKRAB-CQSZACIVSA-N 0 3 235.371 3.130 20 30 BGEDHN C=C1CCN(Cc2ccccc2CF)CC1 ZINC000929604009 646196238 /nfs/dbraw/zinc/19/62/38/646196238.db2.gz NIXOGCAGQMGOLX-UHFFFAOYSA-N 0 3 219.303 3.308 20 30 BGEDHN C=C1CCN(CCCC(C)(F)F)CC1 ZINC000929605240 646195025 /nfs/dbraw/zinc/19/50/25/646195025.db2.gz XQWUAVGDQQDZQX-UHFFFAOYSA-N 0 3 203.276 3.074 20 30 BGEDHN C=CC1CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000929618236 646199686 /nfs/dbraw/zinc/19/96/86/646199686.db2.gz OTOVCUBEDPNYQD-LLVKDONJSA-N 0 3 234.318 3.180 20 30 BGEDHN C=CC1CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929618239 646201791 /nfs/dbraw/zinc/20/17/91/646201791.db2.gz OTOVCUBEDPNYQD-NSHDSACASA-N 0 3 234.318 3.180 20 30 BGEDHN C=CCCCCCN(C)Cc1cc(C)nnc1C ZINC000929695508 646249475 /nfs/dbraw/zinc/24/94/75/646249475.db2.gz OXBRSOKCKQKXQT-UHFFFAOYSA-N 0 3 247.386 3.272 20 30 BGEDHN C=CCCCCCN(C)Cc1cnc(CC)o1 ZINC000929696033 646253121 /nfs/dbraw/zinc/25/31/21/646253121.db2.gz UESSBHUVTOKDSU-UHFFFAOYSA-N 0 3 236.359 3.415 20 30 BGEDHN C=CCCCCCN(C)Cc1cncc(C#N)c1 ZINC000929696572 641402482 /nfs/dbraw/zinc/40/24/82/641402482.db2.gz YDTVKQDDADUHOF-UHFFFAOYSA-N 0 3 243.354 3.131 20 30 BGEDHN C=CCCCCCN(C)Cc1[nH]c(C)nc1C ZINC000929696606 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C=C(C)CCN(C)Cc1cc(C#N)cs1 ZINC000933770937 640764744 /nfs/dbraw/zinc/76/47/44/640764744.db2.gz BFQGBZKINAKNLY-UHFFFAOYSA-N 0 3 220.341 3.018 20 30 BGEDHN C#CCCCCCN(C)Cc1cc(C#N)cs1 ZINC000933771075 640765143 /nfs/dbraw/zinc/76/51/43/640765143.db2.gz VPRZAAOYACPXCM-UHFFFAOYSA-N 0 3 246.379 3.245 20 30 BGEDHN CN(CCCCCF)Cc1cc(C#N)cs1 ZINC000933772567 631509345 /nfs/dbraw/zinc/50/93/45/631509345.db2.gz QJWKKNRZMRNKHH-UHFFFAOYSA-N 0 3 240.347 3.191 20 30 BGEDHN C=C(C)CCN(Cc1ccoc1)C1CC1 ZINC000934006151 640806463 /nfs/dbraw/zinc/80/64/63/640806463.db2.gz WLPFBCIHNCHLBY-UHFFFAOYSA-N 0 3 205.301 3.210 20 30 BGEDHN C=C(Br)CNC1(CCCC)CC1 ZINC000934208765 641102838 /nfs/dbraw/zinc/10/28/38/641102838.db2.gz FFOOCMQLFYMWKW-UHFFFAOYSA-N 0 3 232.165 3.207 20 30 BGEDHN Cc1cccnc1[C@H](NCCCC#N)C(C)(C)C ZINC000934287768 631759127 /nfs/dbraw/zinc/75/91/27/631759127.db2.gz ODVWYWUYRXPVKF-AWEZNQCLSA-N 0 3 245.370 3.371 20 30 BGEDHN Cc1cccnc1[C@@H](NCCCC#N)C(C)(C)C ZINC000934287769 631759511 /nfs/dbraw/zinc/75/95/11/631759511.db2.gz ODVWYWUYRXPVKF-CQSZACIVSA-N 0 3 245.370 3.371 20 30 BGEDHN C=CCN[C@H](c1ncccc1C)C(C)(C)C ZINC000934289442 641118793 /nfs/dbraw/zinc/11/87/93/641118793.db2.gz GGSYXSNTJNDNTO-CYBMUJFWSA-N 0 3 218.344 3.253 20 30 BGEDHN C=CCN[C@@H](c1ncccc1C)C(C)(C)C ZINC000934289443 641117179 /nfs/dbraw/zinc/11/71/79/641117179.db2.gz GGSYXSNTJNDNTO-ZDUSSCGKSA-N 0 3 218.344 3.253 20 30 BGEDHN C=C(CC)CN1CCC[C@H]1c1ccc(OC)cn1 ZINC000934343406 641128635 /nfs/dbraw/zinc/12/86/35/641128635.db2.gz KMCMYLSPKWNEDY-HNNXBMFYSA-N 0 3 246.354 3.193 20 30 BGEDHN C=C(CC)CN1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934343407 641129419 /nfs/dbraw/zinc/12/94/19/641129419.db2.gz KMCMYLSPKWNEDY-OAHLLOKOSA-N 0 3 246.354 3.193 20 30 BGEDHN C=CC[C@H]1CCN1Cc1ccc(C)c(C#N)c1 ZINC000934459740 631849587 /nfs/dbraw/zinc/84/95/87/631849587.db2.gz LEEAAYYSSCAKFF-HNNXBMFYSA-N 0 3 226.323 3.017 20 30 BGEDHN C=CC[C@@H]1CCN1Cc1ccc(C)c(C#N)c1 ZINC000934459743 631850089 /nfs/dbraw/zinc/85/00/89/631850089.db2.gz LEEAAYYSSCAKFF-OAHLLOKOSA-N 0 3 226.323 3.017 20 30 BGEDHN C=CC[C@H]1CCN1CCC(=O)c1ccc(F)cc1 ZINC000934459952 631852494 /nfs/dbraw/zinc/85/24/94/631852494.db2.gz IQBCZKFVKJARGD-AWEZNQCLSA-N 0 3 247.313 3.049 20 30 BGEDHN C=CC[C@@H]1CCN1CCC(=O)c1ccc(F)cc1 ZINC000934459953 631851631 /nfs/dbraw/zinc/85/16/31/631851631.db2.gz IQBCZKFVKJARGD-CQSZACIVSA-N 0 3 247.313 3.049 20 30 BGEDHN C=CC[C@H]1CCN1CCC(=O)c1ccc(C)cc1 ZINC000934461581 631857440 /nfs/dbraw/zinc/85/74/40/631857440.db2.gz NHBNDRKHZPCNMJ-HNNXBMFYSA-N 0 3 243.350 3.218 20 30 BGEDHN C=CC[C@@H]1CCN1CCC(=O)c1ccc(C)cc1 ZINC000934461585 631857285 /nfs/dbraw/zinc/85/72/85/631857285.db2.gz NHBNDRKHZPCNMJ-OAHLLOKOSA-N 0 3 243.350 3.218 20 30 BGEDHN C=CC[C@H]1CCN1Cc1cnc2ccccc2c1 ZINC000934466261 631861118 /nfs/dbraw/zinc/86/11/18/631861118.db2.gz ZCDGVENGHYXNJQ-HNNXBMFYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CC[C@@H]1CCN1Cc1cnc2ccccc2c1 ZINC000934466264 631861553 /nfs/dbraw/zinc/86/15/53/631861553.db2.gz ZCDGVENGHYXNJQ-OAHLLOKOSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CC[C@H]1CCN1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468950 641161335 /nfs/dbraw/zinc/16/13/35/641161335.db2.gz LIBLHJAHPZMPEN-NEPJUHHUSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@@H]1CCN1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468951 641160307 /nfs/dbraw/zinc/16/03/07/641160307.db2.gz LIBLHJAHPZMPEN-NWDGAFQWSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@H]1CCN1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468952 641161158 /nfs/dbraw/zinc/16/11/58/641161158.db2.gz LIBLHJAHPZMPEN-RYUDHWBXSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@@H]1CCN1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468953 641161960 /nfs/dbraw/zinc/16/19/60/641161960.db2.gz LIBLHJAHPZMPEN-VXGBXAGGSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@H]1CCN1Cc1ccc2ccccc2n1 ZINC000934468985 641161918 /nfs/dbraw/zinc/16/19/18/641161918.db2.gz MBPQYDXGGKKNHV-HNNXBMFYSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CC[C@@H]1CCN1Cc1ccc2ccccc2n1 ZINC000934468986 631861490 /nfs/dbraw/zinc/86/14/90/631861490.db2.gz MBPQYDXGGKKNHV-OAHLLOKOSA-N 0 3 238.334 3.385 20 30 BGEDHN C=CC[C@@H]1CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000934469913 641163852 /nfs/dbraw/zinc/16/38/52/641163852.db2.gz JQHLOUQJEJFHKC-CYBMUJFWSA-N 0 3 246.310 3.054 20 30 BGEDHN C=CC[C@H]1CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000934469914 641163685 /nfs/dbraw/zinc/16/36/85/641163685.db2.gz JQHLOUQJEJFHKC-ZDUSSCGKSA-N 0 3 246.310 3.054 20 30 BGEDHN C=CC[C@H]1CCN1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934470999 641165029 /nfs/dbraw/zinc/16/50/29/641165029.db2.gz HNFQGJTXTPVRCH-AAEUAGOBSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@@H]1CCN1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471002 631865085 /nfs/dbraw/zinc/86/50/85/631865085.db2.gz HNFQGJTXTPVRCH-DGCLKSJQSA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@@H]1CCN1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471006 631864227 /nfs/dbraw/zinc/86/42/27/631864227.db2.gz HNFQGJTXTPVRCH-WCQYABFASA-N 0 3 246.310 3.306 20 30 BGEDHN C=CC[C@H]1CCN1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471008 631865065 /nfs/dbraw/zinc/86/50/65/631865065.db2.gz HNFQGJTXTPVRCH-YPMHNXCESA-N 0 3 246.310 3.306 20 30 BGEDHN C=C(CC)CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562308 631924032 /nfs/dbraw/zinc/92/40/32/631924032.db2.gz PNROETBBJXHAKI-CYBMUJFWSA-N 0 3 247.386 3.300 20 30 BGEDHN C=C(CC)CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934562310 631923361 /nfs/dbraw/zinc/92/33/61/631923361.db2.gz PNROETBBJXHAKI-ZDUSSCGKSA-N 0 3 247.386 3.300 20 30 BGEDHN C[C@@H]1CC=CC[C@H]1NCc1cccc(F)c1C#N ZINC000934622044 641221135 /nfs/dbraw/zinc/22/11/35/641221135.db2.gz PUODNIWUMWCUIL-IAQYHMDHSA-N 0 3 244.313 3.142 20 30 BGEDHN C[C@@H]1CC=CC[C@H]1NCc1ccc(F)cc1C#N ZINC000934626470 641222854 /nfs/dbraw/zinc/22/28/54/641222854.db2.gz HEJNNFQFPIRBHS-IAQYHMDHSA-N 0 3 244.313 3.142 20 30 BGEDHN C=CCCCN(CC)Cc1c(C)noc1CC ZINC000934641363 641224678 /nfs/dbraw/zinc/22/46/78/641224678.db2.gz DIFCMTCFTDZESS-UHFFFAOYSA-N 0 3 236.359 3.334 20 30 BGEDHN C=CCCCN(CC)[C@H](C)c1snnc1C ZINC000934642727 641224965 /nfs/dbraw/zinc/22/49/65/641224965.db2.gz PAGXEMCHYCOCMF-LLVKDONJSA-N 0 3 239.388 3.196 20 30 BGEDHN C=CCCCN(CC)[C@@H](C)c1snnc1C ZINC000934642728 641225529 /nfs/dbraw/zinc/22/55/29/641225529.db2.gz PAGXEMCHYCOCMF-NSHDSACASA-N 0 3 239.388 3.196 20 30 BGEDHN C=CCCCN(CC)Cc1cnc(CC)o1 ZINC000934643058 641224149 /nfs/dbraw/zinc/22/41/49/641224149.db2.gz QKJJIANXGMXKES-UHFFFAOYSA-N 0 3 222.332 3.025 20 30 BGEDHN C=CCCCN(CC)Cc1c(C)noc1C ZINC000934644594 641227050 /nfs/dbraw/zinc/22/70/50/641227050.db2.gz GCOVWBLHQMRFSC-UHFFFAOYSA-N 0 3 222.332 3.080 20 30 BGEDHN C=CCCCN(CC)Cc1conc1CC ZINC000934644704 641227239 /nfs/dbraw/zinc/22/72/39/641227239.db2.gz GZTHQTHHXGFUST-UHFFFAOYSA-N 0 3 222.332 3.025 20 30 BGEDHN C=CCCCN(CC)Cc1ccnn1C(C)C ZINC000934644804 641229616 /nfs/dbraw/zinc/22/96/16/641229616.db2.gz IMMQONSMDNSXBZ-UHFFFAOYSA-N 0 3 235.375 3.252 20 30 BGEDHN C=CCCCN(CC)Cc1oc(C)nc1C ZINC000934645578 632001785 /nfs/dbraw/zinc/00/17/85/632001785.db2.gz ULEZPYKDPADPGW-UHFFFAOYSA-N 0 3 222.332 3.080 20 30 BGEDHN C=CCCCN(CC)Cc1c(C)onc1CC ZINC000934645747 641229087 /nfs/dbraw/zinc/22/90/87/641229087.db2.gz IQQIPFLBKKPMNZ-UHFFFAOYSA-N 0 3 236.359 3.334 20 30 BGEDHN C=CCCCN(CC)Cc1cnc(C2CC2)o1 ZINC000934646177 641231573 /nfs/dbraw/zinc/23/15/73/641231573.db2.gz DRXBHIYKOXSNPW-UHFFFAOYSA-N 0 3 234.343 3.340 20 30 BGEDHN C=CCCCN(CC)Cc1cc(C2CC2)no1 ZINC000934647213 641230963 /nfs/dbraw/zinc/23/09/63/641230963.db2.gz LYIASLSICNBBSL-UHFFFAOYSA-N 0 3 234.343 3.340 20 30 BGEDHN C=CCCCN(CC)Cc1cn2ccccc2n1 ZINC000934649181 641235253 /nfs/dbraw/zinc/23/52/53/641235253.db2.gz MUZXCYRNTUCXGH-UHFFFAOYSA-N 0 3 243.354 3.122 20 30 BGEDHN