smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN[C@@H]1CC(=O)N(C)c2ccccc21 37414318 536354948 /nfs/dbraw/zinc/35/49/48/536354948.db2.gz XGSUURKTHGLFLP-SECBINFHSA-N 0 3 190.246 1.314 10 0 ADAEHN CC1(C)CC[C@@H]2NCCO[C@@H]2C1 675069725 537782386 /nfs/dbraw/zinc/78/23/86/537782386.db2.gz XLPLMEWXGHQOQH-DTWKUNHWSA-N 0 3 169.268 1.554 10 0 ADAEHN CC[C@H]1NCCCn2cc(C)nc21 675068648 537776946 /nfs/dbraw/zinc/77/69/46/537776946.db2.gz RIQZIJHNZFAHSW-SECBINFHSA-N 0 3 179.267 1.636 10 0 ADAEHN C[C@H]1CC[C@H](C)[C@H]2NCCO[C@@H]12 675068183 537777044 /nfs/dbraw/zinc/77/70/44/537777044.db2.gz NHSJQIDEOJENCS-QEYWKRMJSA-N 0 3 169.268 1.409 10 0 ADAEHN CC(C)N1CCC2(CC1)OCCC2=O 675068582 537777109 /nfs/dbraw/zinc/77/71/09/537777109.db2.gz BUZQXCSMETZKLK-UHFFFAOYSA-N 0 3 197.278 1.219 10 0 ADAEHN Cc1cn2c(n1)[C@@H](C(C)C)NCCC2 675067706 537777134 /nfs/dbraw/zinc/77/71/34/537777134.db2.gz HSYYPNSQCMIXKH-SNVBAGLBSA-N 0 3 193.294 1.882 10 0 ADAEHN Cc1cn2c(n1)C(C)(C)NCCC2 675068628 537777299 /nfs/dbraw/zinc/77/72/99/537777299.db2.gz RDFJLNTUCMZPJK-UHFFFAOYSA-N 0 3 179.267 1.420 10 0 ADAEHN CC[C@@H]1CCC[C@@H]2OCCN[C@@H]21 675067692 537777331 /nfs/dbraw/zinc/77/73/31/537777331.db2.gz HBZIJOAVCUXYHG-KXUCPTDWSA-N 0 3 169.268 1.554 10 0 ADAEHN C[C@@H]1CC[C@@H](C)[C@H]2NCCO[C@@H]12 675068179 537777347 /nfs/dbraw/zinc/77/73/47/537777347.db2.gz NHSJQIDEOJENCS-KYXWUPHJSA-N 0 3 169.268 1.409 10 0 ADAEHN CCCc1cn2c(n1)[C@H](C)NCCC2 675068145 537777366 /nfs/dbraw/zinc/77/73/66/537777366.db2.gz MZQOGKHSUHDYTQ-VIFPVBQESA-N 0 3 193.294 1.890 10 0 ADAEHN CC(C)[C@H]1CC[C@@H]2NCCO[C@@H]2C1 675067976 537777389 /nfs/dbraw/zinc/77/73/89/537777389.db2.gz LLGCKQQXTDLVPP-GARJFASQSA-N 0 3 183.295 1.800 10 0 ADAEHN CCc1cn2c(n1)[C@@H](CC)NCCC2 675067768 537777691 /nfs/dbraw/zinc/77/76/91/537777691.db2.gz JDQFAORAHARJID-SNVBAGLBSA-N 0 3 193.294 1.890 10 0 ADAEHN Cc1c(C2CC2)n[nH]c1CN 18590176 537777698 /nfs/dbraw/zinc/77/76/98/537777698.db2.gz HIUVDMNXSMLQAC-UHFFFAOYSA-N 0 3 151.213 1.054 10 0 ADAEHN CCCc1cn2c(n1)[C@@H](C)NCCC2 675068144 537777733 /nfs/dbraw/zinc/77/77/33/537777733.db2.gz MZQOGKHSUHDYTQ-SECBINFHSA-N 0 3 193.294 1.890 10 0 ADAEHN Cc1cn2c(n1)[C@H](C)NCCC2 675067617 537777896 /nfs/dbraw/zinc/77/78/96/537777896.db2.gz FZLABWPKCTVGDD-QMMMGPOBSA-N 0 3 165.240 1.246 10 0 ADAEHN CCc1cn2c(n1)C(C)(C)NCCC2 675068730 537778209 /nfs/dbraw/zinc/77/82/09/537778209.db2.gz SECRXZYRKVGKFP-UHFFFAOYSA-N 0 3 193.294 1.674 10 0 ADAEHN Cc1cn2c(n1)[C@H](CCF)NCCC2 675067992 537778358 /nfs/dbraw/zinc/77/83/58/537778358.db2.gz LQQJHMURXPTCGK-VIFPVBQESA-N 0 3 197.257 1.586 10 0 ADAEHN C[C@H]1CC[C@@H](C)[C@H]2NCCO[C@@H]12 675068185 537778395 /nfs/dbraw/zinc/77/83/95/537778395.db2.gz NHSJQIDEOJENCS-RGOKHQFPSA-N 0 3 169.268 1.409 10 0 ADAEHN Cc1cn2c(n1)[C@@H](C)NCCC2 675067615 537778432 /nfs/dbraw/zinc/77/84/32/537778432.db2.gz FZLABWPKCTVGDD-MRVPVSSYSA-N 0 3 165.240 1.246 10 0 ADAEHN CC(C)[C@@H]1CC[C@@H]2NCCO[C@@H]2C1 675067978 537778480 /nfs/dbraw/zinc/77/84/80/537778480.db2.gz LLGCKQQXTDLVPP-OUAUKWLOSA-N 0 3 183.295 1.800 10 0 ADAEHN CC[C@@H]1NCCCn2cc(C)nc21 675068650 537778535 /nfs/dbraw/zinc/77/85/35/537778535.db2.gz RIQZIJHNZFAHSW-VIFPVBQESA-N 0 3 179.267 1.636 10 0 ADAEHN Cc1cn2c(n1)[C@@H](CCF)NCCC2 675067990 537778596 /nfs/dbraw/zinc/77/85/96/537778596.db2.gz LQQJHMURXPTCGK-SECBINFHSA-N 0 3 197.257 1.586 10 0 ADAEHN CC(C)(C)CC[C@@H]1NCCCNC1=O 675067856 537778729 /nfs/dbraw/zinc/77/87/29/537778729.db2.gz KAVDJPSAKDHIIT-VIFPVBQESA-N 0 3 198.310 1.291 10 0 ADAEHN CC1(C)CCC[C@@H]2OCCN[C@@H]21 675067460 537778882 /nfs/dbraw/zinc/77/88/82/537778882.db2.gz DXMMYPPAINXJSG-IUCAKERBSA-N 0 3 169.268 1.554 10 0 ADAEHN CCC[C@H]1CC[C@@H]2NCCO[C@@H]2C1 675067707 537778898 /nfs/dbraw/zinc/77/88/98/537778898.db2.gz HYSHMDYHZUSSGF-GARJFASQSA-N 0 3 183.295 1.944 10 0 ADAEHN CCC[C@@H]1CC[C@@H]2NCCO[C@@H]2C1 675067708 537778972 /nfs/dbraw/zinc/77/89/72/537778972.db2.gz 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/nfs/dbraw/zinc/77/94/74/537779474.db2.gz HBZIJOAVCUXYHG-LPEHRKFASA-N 0 3 169.268 1.554 10 0 ADAEHN Cc1cn2c(n1)[C@H](C(C)C)NCCC2 675067705 537779513 /nfs/dbraw/zinc/77/95/13/537779513.db2.gz HSYYPNSQCMIXKH-JTQLQIEISA-N 0 3 193.294 1.882 10 0 ADAEHN O=c1cccc(CNC2CCC2)[nH]1 675069908 537780033 /nfs/dbraw/zinc/78/00/33/537780033.db2.gz MDZNEZNFBVVZLT-UHFFFAOYSA-N 0 3 178.235 1.429 10 0 ADAEHN C[C@H]1CCC[C@@H]2OCCN[C@H]12 675069960 537780311 /nfs/dbraw/zinc/78/03/11/537780311.db2.gz ZHICXAKOKOOGAI-XHNCKOQMSA-N 0 3 155.241 1.163 10 0 ADAEHN C[C@H]1C[C@H](C)[C@@H]2NCCO[C@@H]2C1 675069786 537780500 /nfs/dbraw/zinc/78/05/00/537780500.db2.gz YJXUGKVMJHYWPH-QEYWKRMJSA-N 0 3 169.268 1.409 10 0 ADAEHN C[C@@H]1CCC[C@@H]2OCCN[C@@H]21 675069954 537780683 /nfs/dbraw/zinc/78/06/83/537780683.db2.gz ZHICXAKOKOOGAI-HRDYMLBCSA-N 0 3 155.241 1.163 10 0 ADAEHN C[C@H]1C[C@@H](C)[C@@H]2OCCN[C@@H]2C1 675069765 537780723 /nfs/dbraw/zinc/78/07/23/537780723.db2.gz YDCYKIMEHYXXPT-JLIMGVALSA-N 0 3 169.268 1.409 10 0 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537793704 /nfs/dbraw/zinc/79/37/04/537793704.db2.gz WZEGLFDRRYJJOA-UHFFFAOYSA-N 0 3 181.283 1.556 10 0 ADAEHN O[C@@H]1C=C(c2ccccc2F)CNC1 675076262 537794353 /nfs/dbraw/zinc/79/43/53/537794353.db2.gz AAKCPIYSDVNHLZ-SECBINFHSA-N 0 3 193.221 1.173 10 0 ADAEHN CCC1(NCCC(C)C)COC1 675075857 537794983 /nfs/dbraw/zinc/79/49/83/537794983.db2.gz VVYNITVZVZCMTP-UHFFFAOYSA-N 0 3 171.284 1.801 10 0 ADAEHN Cc1sccc1C1=C[C@H](O)CNC1 675077881 537796080 /nfs/dbraw/zinc/79/60/80/537796080.db2.gz SPRYTNPUFITHSM-VIFPVBQESA-N 0 3 195.287 1.404 10 0 ADAEHN Cc1ccsc1C1=C[C@@H](O)CNC1 675077492 537796661 /nfs/dbraw/zinc/79/66/61/537796661.db2.gz NFQRIPTXQTUDKY-SECBINFHSA-N 0 3 195.287 1.404 10 0 ADAEHN Cc1ccc(C2=C[C@@H](O)CNC2)cc1 675077266 537796810 /nfs/dbraw/zinc/79/68/10/537796810.db2.gz KOGGRHWSXARNIN-GFCCVEGCSA-N 0 3 189.258 1.343 10 0 ADAEHN O[C@H]1C=C(c2cccs2)CNC1 675077361 537796835 /nfs/dbraw/zinc/79/68/35/537796835.db2.gz LQYNOSQHAZTARK-QMMMGPOBSA-N 0 3 181.260 1.096 10 0 ADAEHN 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234506172 572002146 /nfs/dbraw/zinc/00/21/46/572002146.db2.gz XVANRAZNHQQBFX-BQBZGAKWSA-N 0 3 151.213 1.506 10 0 ADAEHN CNc1nccn1[C@H]1CCCN(C)C1 234505028 572003069 /nfs/dbraw/zinc/00/30/69/572003069.db2.gz UILCFNUJUOFANH-VIFPVBQESA-N 0 3 194.282 1.192 10 0 ADAEHN COCCC(=O)CN1CCCCCC1 687697432 572003790 /nfs/dbraw/zinc/00/37/90/572003790.db2.gz PLRYSWXJWOIYDR-UHFFFAOYSA-N 0 3 199.294 1.468 10 0 ADAEHN CNc1nccn1[C@@H]1C[C@@H]1C 234502279 572003802 /nfs/dbraw/zinc/00/38/02/572003802.db2.gz XVANRAZNHQQBFX-NKWVEPMBSA-N 0 3 151.213 1.506 10 0 ADAEHN COC1CCN([C@@H](C)CC(C)=O)CC1 82791808 572111234 /nfs/dbraw/zinc/11/12/34/572111234.db2.gz BSSCLMPPFOHVKL-VIFPVBQESA-N 0 3 199.294 1.465 10 0 ADAEHN C[C@@H]1OC[C@@H](NCc2ccoc2)[C@@H]1C 405641573 757214030 /nfs/dbraw/zinc/21/40/30/757214030.db2.gz ZTTHJXBSAMWIHQ-WCABBAIRSA-N 0 3 195.262 1.793 10 0 ADAEHN Cc1cnccc1CNc1ncc[nH]1 235815364 572005875 /nfs/dbraw/zinc/00/58/75/572005875.db2.gz GPHQVQBHUDJHHY-UHFFFAOYSA-N 0 3 188.234 1.725 10 0 ADAEHN C[C@@H]1OC[C@H](NCc2ccco2)[C@@H]1C 405604213 757215087 /nfs/dbraw/zinc/21/50/87/757215087.db2.gz OAUMMMNBZWVLGU-YWVKMMECSA-N 0 3 195.262 1.793 10 0 ADAEHN C[C@@H]1OC[C@@H](NCc2ccoc2)[C@H]1C 405641569 757215394 /nfs/dbraw/zinc/21/53/94/757215394.db2.gz ZTTHJXBSAMWIHQ-ATZCPNFKSA-N 0 3 195.262 1.793 10 0 ADAEHN C[C@@H]1OC[C@H](NCc2ccco2)[C@H]1C 405604207 757216340 /nfs/dbraw/zinc/21/63/40/757216340.db2.gz OAUMMMNBZWVLGU-QXEWZRGKSA-N 0 3 195.262 1.793 10 0 ADAEHN CC(C)C[C@@H](C)C[C@H]([NH3+])c1cnn[n-]1 300880276 572005922 /nfs/dbraw/zinc/00/59/22/572005922.db2.gz IUSVINGMTIWUMD-BDAKNGLRSA-N 0 3 196.298 1.877 10 0 ADAEHN CC(C)C[C@@H](C)C[C@@H]([NH3+])c1cnn[n-]1 300880282 572005933 /nfs/dbraw/zinc/00/59/33/572005933.db2.gz IUSVINGMTIWUMD-RKDXNWHRSA-N 0 3 196.298 1.877 10 0 ADAEHN C[C@@H]1OC[C@H](NCc2ccoc2)[C@@H]1C 405641575 757217420 /nfs/dbraw/zinc/21/74/20/757217420.db2.gz ZTTHJXBSAMWIHQ-YWVKMMECSA-N 0 3 195.262 1.793 10 0 ADAEHN C[C@@H]1OC[C@@H](NCc2ccco2)[C@H]1C 405604202 757217858 /nfs/dbraw/zinc/21/78/58/757217858.db2.gz OAUMMMNBZWVLGU-ATZCPNFKSA-N 0 3 195.262 1.793 10 0 ADAEHN C[C@@H]1OC[C@@H](NCc2ccco2)[C@@H]1C 405604211 757218122 /nfs/dbraw/zinc/21/81/22/757218122.db2.gz OAUMMMNBZWVLGU-WCABBAIRSA-N 0 3 195.262 1.793 10 0 ADAEHN C[C@@H]1OC[C@H](NCc2ccoc2)[C@H]1C 405641571 757219391 /nfs/dbraw/zinc/21/93/91/757219391.db2.gz ZTTHJXBSAMWIHQ-QXEWZRGKSA-N 0 3 195.262 1.793 10 0 ADAEHN Cc1cncnc1CNCC(C)C 300944461 572113493 /nfs/dbraw/zinc/11/34/93/572113493.db2.gz OEERXDIJLQGGMD-UHFFFAOYSA-N 0 3 179.267 1.531 10 0 ADAEHN COc1ncc(F)cc1CNC(C)C 234940081 572006389 /nfs/dbraw/zinc/00/63/89/572006389.db2.gz LDADONUGYOIMST-UHFFFAOYSA-N 0 3 198.241 1.727 10 0 ADAEHN CCCCN(C)[C@H](C)C(C)=O 35021667 572006417 /nfs/dbraw/zinc/00/64/17/572006417.db2.gz CMSIDVCYQOPPNB-MRVPVSSYSA-N 0 3 157.257 1.696 10 0 ADAEHN CC(=O)[C@H](C)N(C)[C@@H](C)C(C)C 37338970 572113512 /nfs/dbraw/zinc/11/35/12/572113512.db2.gz JLVWVOGNJQBYRW-IUCAKERBSA-N 0 3 171.284 1.940 10 0 ADAEHN CCNCC(=O)NC[C@H]1CC[C@@H](C)C1 230424670 572007661 /nfs/dbraw/zinc/00/76/61/572007661.db2.gz COBSIUQVWFHINM-ZJUUUORDSA-N 0 3 198.310 1.148 10 0 ADAEHN CCCC[C@@H](N)C(=O)NC(C)(C)C 37480369 572115598 /nfs/dbraw/zinc/11/55/98/572115598.db2.gz YXBIAKTZCHGIEH-MRVPVSSYSA-N 0 3 186.299 1.419 10 0 ADAEHN CCCN[C@H](COC)c1ccoc1 68979897 572009192 /nfs/dbraw/zinc/00/91/92/572009192.db2.gz DZLAZIHHHYJWQO-SNVBAGLBSA-N 0 3 183.251 1.967 10 0 ADAEHN C[C@@H](CC1CC1)NC(=O)CNC1CC1 69668136 572132402 /nfs/dbraw/zinc/13/24/02/572132402.db2.gz FGRZKGCILNMLMY-QMMMGPOBSA-N 0 3 196.294 1.043 10 0 ADAEHN N[C@@H]1CC2(COC2)Oc2ccccc21 687773707 572009216 /nfs/dbraw/zinc/00/92/16/572009216.db2.gz DNFBDLLDPOQOJW-SECBINFHSA-N 0 3 191.230 1.238 10 0 ADAEHN N[C@H]1CC2(COC2)Oc2ccccc21 687773708 572009231 /nfs/dbraw/zinc/00/92/31/572009231.db2.gz DNFBDLLDPOQOJW-VIFPVBQESA-N 0 3 191.230 1.238 10 0 ADAEHN C[NH2+][C@H](C)C/C=C/c1cncc([O-])c1 114242614 572012564 /nfs/dbraw/zinc/01/25/64/572012564.db2.gz UVSVAXFPUOHHQV-HYYFJVDXSA-N 0 3 192.262 1.798 10 0 ADAEHN CNCc1c[nH]c([C@@H]2CC2(C)C)n1 234373865 572014975 /nfs/dbraw/zinc/01/49/75/572014975.db2.gz KVMRWXZORRNMLU-QMMMGPOBSA-N 0 3 179.267 1.643 10 0 ADAEHN CNCc1cnc([C@@H]2CC2(C)C)[nH]1 234373865 572014977 /nfs/dbraw/zinc/01/49/77/572014977.db2.gz KVMRWXZORRNMLU-QMMMGPOBSA-N 0 3 179.267 1.643 10 0 ADAEHN CC[C@@H](OC)c1ncc(C)c(CN)n1 300884170 572014993 /nfs/dbraw/zinc/01/49/93/572014993.db2.gz GNSWKVYORXGYMP-SECBINFHSA-N 0 3 195.266 1.341 10 0 ADAEHN OC[C@@H]1CCCN1c1ccncc1 42434718 572016412 /nfs/dbraw/zinc/01/64/12/572016412.db2.gz CIXPPMAGLUZGGT-JTQLQIEISA-N 0 3 178.235 1.043 10 0 ADAEHN OC[C@H]1CCCN1c1ccncc1 42434717 572016445 /nfs/dbraw/zinc/01/64/45/572016445.db2.gz CIXPPMAGLUZGGT-SNVBAGLBSA-N 0 3 178.235 1.043 10 0 ADAEHN OC1(CCN2CCC[C@@H]2CF)CC1 393457402 572019962 /nfs/dbraw/zinc/01/99/62/572019962.db2.gz JUPKDSRUQPDCCR-SECBINFHSA-N 0 3 187.258 1.335 10 0 ADAEHN Cc1ccc([C@H]([C@@H](C)N)N(C)C)o1 43363861 572149308 /nfs/dbraw/zinc/14/93/08/572149308.db2.gz XVLROZNQPQSVTO-SCZZXKLOSA-N 0 3 182.267 1.538 10 0 ADAEHN Cc1ccnc(O[C@@H]2CCN(C)C2)c1 585654601 757246244 /nfs/dbraw/zinc/24/62/44/757246244.db2.gz JQGKFEHAYVZGPJ-SNVBAGLBSA-N 0 3 192.262 1.473 10 0 ADAEHN CCC[C@@H](NC)c1cc(OC)n(C)n1 300889343 572023429 /nfs/dbraw/zinc/02/34/29/572023429.db2.gz BFXBGLHCYAPPNF-MRVPVSSYSA-N 0 3 197.282 1.489 10 0 ADAEHN CC[C@H](N)c1nc2ncccc2n1C 234023664 572024551 /nfs/dbraw/zinc/02/45/51/572024551.db2.gz MQILNSYATBLLOI-ZETCQYMHSA-N 0 3 190.250 1.378 10 0 ADAEHN Cc1ccc(O[C@@H]2CCN(C)C2)nc1 585654213 757249043 /nfs/dbraw/zinc/24/90/43/757249043.db2.gz FHZXEHLBVXXZPT-SNVBAGLBSA-N 0 3 192.262 1.473 10 0 ADAEHN Cc1cccc(O[C@@H]2CCN(C)C2)n1 585655158 757251406 /nfs/dbraw/zinc/25/14/06/757251406.db2.gz VIBJWDXCXGQTIL-SNVBAGLBSA-N 0 3 192.262 1.473 10 0 ADAEHN CN(C)C[C@H]1CNc2ccoc2S1 75596238 572031518 /nfs/dbraw/zinc/03/15/18/572031518.db2.gz UMMXDFRWGOEEOY-SSDOTTSWSA-N 0 3 198.291 1.727 10 0 ADAEHN Cc1cccnc1O[C@@H]1CCN(C)C1 585654966 757251966 /nfs/dbraw/zinc/25/19/66/757251966.db2.gz OWPVXNVAFQRMEW-SNVBAGLBSA-N 0 3 192.262 1.473 10 0 ADAEHN Cc1nnc(CNCC2CCC2)n1C 35696142 572035040 /nfs/dbraw/zinc/03/50/40/572035040.db2.gz BQXQIRZSTCLUBO-UHFFFAOYSA-N 0 3 194.282 1.013 10 0 ADAEHN Cc1cccc(O[C@H]2CCN(C)C2)n1 585655157 757253459 /nfs/dbraw/zinc/25/34/59/757253459.db2.gz VIBJWDXCXGQTIL-JTQLQIEISA-N 0 3 192.262 1.473 10 0 ADAEHN Cc1ccc(O[C@H]2CCN(C)C2)nc1 585654208 757253630 /nfs/dbraw/zinc/25/36/30/757253630.db2.gz FHZXEHLBVXXZPT-JTQLQIEISA-N 0 3 192.262 1.473 10 0 ADAEHN Cc1cccnc1O[C@H]1CCN(C)C1 585654965 757254675 /nfs/dbraw/zinc/25/46/75/757254675.db2.gz OWPVXNVAFQRMEW-JTQLQIEISA-N 0 3 192.262 1.473 10 0 ADAEHN C[C@H](Cc1cccs1)NC1COC1 82488738 572039412 /nfs/dbraw/zinc/03/94/12/572039412.db2.gz ZJSCDTBNNMFZJG-MRVPVSSYSA-N 0 3 197.303 1.668 10 0 ADAEHN CC(C)N1CC[C@H](C)NC(C)(C)C1=O 219719482 572039442 /nfs/dbraw/zinc/03/94/42/572039442.db2.gz ZNXRKUCJMVWOLP-VIFPVBQESA-N 0 3 198.310 1.384 10 0 ADAEHN CCCCC[C@H](C)NC1COC1 82488281 572039451 /nfs/dbraw/zinc/03/94/51/572039451.db2.gz PTGGXTVOQDYISG-VIFPVBQESA-N 0 3 171.284 1.944 10 0 ADAEHN C[C@@H](Cc1ccccc1)NC1COC1 82488706 572039458 /nfs/dbraw/zinc/03/94/58/572039458.db2.gz HZVBXKLDOWUPLZ-JTQLQIEISA-N 0 3 191.274 1.606 10 0 ADAEHN Cc1ccnc(O[C@H]2CCN(C)C2)c1 585654599 757257321 /nfs/dbraw/zinc/25/73/21/757257321.db2.gz JQGKFEHAYVZGPJ-JTQLQIEISA-N 0 3 192.262 1.473 10 0 ADAEHN CC[C@@H](C)[C@H](N)c1cc(OC)n(C)n1 300904072 572039804 /nfs/dbraw/zinc/03/98/04/572039804.db2.gz DIQIQSZLRSNWGY-XCBNKYQSSA-N 0 3 197.282 1.475 10 0 ADAEHN CCCCNCc1cc(OC)n(C)n1 300907583 572039809 /nfs/dbraw/zinc/03/98/09/572039809.db2.gz DSTKFQZAKPFKGT-UHFFFAOYSA-N 0 3 197.282 1.318 10 0 ADAEHN CNC1=NC(C)(C)C=C(C)S1 33866766 572039917 /nfs/dbraw/zinc/03/99/17/572039917.db2.gz ZVDDTKROONRLAG-UHFFFAOYSA-N 0 3 170.281 1.991 10 0 ADAEHN CCOCC[C@@H](N)c1coc(C)n1 687704257 572048469 /nfs/dbraw/zinc/04/84/69/572048469.db2.gz GNZIHWOIPFKEGM-MRVPVSSYSA-N 0 3 184.239 1.409 10 0 ADAEHN CC(C)CN(C)C(=O)[C@](C)(N)C1CC1 37478908 572156694 /nfs/dbraw/zinc/15/66/94/572156694.db2.gz PAENQKSEFRWSTN-LLVKDONJSA-N 0 3 198.310 1.228 10 0 ADAEHN COC(CNCCc1ccco1)OC 82546019 572048507 /nfs/dbraw/zinc/04/85/07/572048507.db2.gz IVGSUQGGCIFJRJ-UHFFFAOYSA-N 0 3 199.250 1.031 10 0 ADAEHN Cc1cccc(N)c1C1=NOCC1 33961545 572048523 /nfs/dbraw/zinc/04/85/23/572048523.db2.gz HFWVJEXKJBOUHJ-UHFFFAOYSA-N 0 3 176.219 1.702 10 0 ADAEHN CCOCCN(CC)CCC(C)=O 82537441 572053129 /nfs/dbraw/zinc/05/31/29/572053129.db2.gz GYMDBJKZOVZEAO-UHFFFAOYSA-N 0 3 187.283 1.324 10 0 ADAEHN C[C@@H]1CC(C)(C)NCO1 34109253 572055584 /nfs/dbraw/zinc/05/55/84/572055584.db2.gz LTLFOIVLHAPKPV-ZCFIWIBFSA-N 0 3 129.203 1.121 10 0 ADAEHN CC(C)[C@@H]1NC[C@H](c2ccco2)O1 71498768 572156716 /nfs/dbraw/zinc/15/67/16/572156716.db2.gz PMUHYPIFYRRDLF-NXEZZACHSA-N 0 3 181.235 1.923 10 0 ADAEHN Cc1c[nH]c(NCC[C@@H]2CCCO2)n1 235848626 572058056 /nfs/dbraw/zinc/05/80/56/572058056.db2.gz DOBMIYMBAMNXSE-VIFPVBQESA-N 0 3 195.266 1.699 10 0 ADAEHN C[C@@H](CF)N[C@H]1COCC1(C)C 642834373 757268717 /nfs/dbraw/zinc/26/87/17/757268717.db2.gz XDMFSGLUVMMCIZ-YUMQZZPRSA-N 0 3 175.247 1.359 10 0 ADAEHN Cc1c[nH]c(NC2(C)CCOCC2)n1 235846827 572058840 /nfs/dbraw/zinc/05/88/40/572058840.db2.gz SBDHFBWMFBIURZ-UHFFFAOYSA-N 0 3 195.266 1.699 10 0 ADAEHN CC(C)[C@@](C)(O)CNCc1cnoc1 687707954 572062434 /nfs/dbraw/zinc/06/24/34/572062434.db2.gz YJXOCCQLTUEDNG-JTQLQIEISA-N 0 3 198.266 1.171 10 0 ADAEHN CC[C@@H](C)Oc1c(CN)c(C)nn1C 82583814 572062445 /nfs/dbraw/zinc/06/24/45/572062445.db2.gz WKFPRESUXABTJL-SSDOTTSWSA-N 0 3 197.282 1.365 10 0 ADAEHN C[C@H](c1ccccc1CO)N(C)C 34265118 572067348 /nfs/dbraw/zinc/06/73/48/572067348.db2.gz SIXKXEYTUVJMMZ-SECBINFHSA-N 0 3 179.263 1.802 10 0 ADAEHN C[C@@H](CF)N[C@@H]1COCC1(C)C 642834366 757274551 /nfs/dbraw/zinc/27/45/51/757274551.db2.gz XDMFSGLUVMMCIZ-JGVFFNPUSA-N 0 3 175.247 1.359 10 0 ADAEHN CC(C)(O)C(C)(C)NCc1cnoc1 687707891 572067839 /nfs/dbraw/zinc/06/78/39/572067839.db2.gz IWGPJMCPTJVYJI-UHFFFAOYSA-N 0 3 198.266 1.314 10 0 ADAEHN CN(C)[C@@H]1c2ccccc2C[C@H]1O 34274396 572069270 /nfs/dbraw/zinc/06/92/70/572069270.db2.gz QMNWQUGJYPKPBN-GHMZBOCLSA-N 0 3 177.247 1.206 10 0 ADAEHN CN(C)[C@H]1c2ccccc2C[C@@H]1O 34274395 572069304 /nfs/dbraw/zinc/06/93/04/572069304.db2.gz QMNWQUGJYPKPBN-QWRGUYRKSA-N 0 3 177.247 1.206 10 0 ADAEHN CN(C)CCc1cc2occc2cn1 34284877 572069356 /nfs/dbraw/zinc/06/93/56/572069356.db2.gz LHONKWIBUKJXHF-UHFFFAOYSA-N 0 3 190.246 1.932 10 0 ADAEHN CN(C)[C@H]1c2ccccc2C[C@H]1O 34274397 572069373 /nfs/dbraw/zinc/06/93/73/572069373.db2.gz QMNWQUGJYPKPBN-MNOVXSKESA-N 0 3 177.247 1.206 10 0 ADAEHN CCCN(C(=O)[C@@H](N)CC)C(C)C 36871616 572069422 /nfs/dbraw/zinc/06/94/22/572069422.db2.gz WXEXIKHPUQJLTD-VIFPVBQESA-N 0 3 186.299 1.371 10 0 ADAEHN CC(=O)[C@@H]1CCCN(CCCCO)C1 82644717 572080457 /nfs/dbraw/zinc/08/04/57/572080457.db2.gz RRRCBOZVKHHULM-LLVKDONJSA-N 0 3 199.294 1.060 10 0 ADAEHN N#CC1C(=O)C[C@H]2CCCC[C@H]12 34448726 572080484 /nfs/dbraw/zinc/08/04/84/572080484.db2.gz HOILNLBPZBWIQB-HRDYMLBCSA-N 0 3 163.220 1.905 10 0 ADAEHN Cc1c[nH]c(N[C@]2(C)CCOC2)n1 235854594 572083387 /nfs/dbraw/zinc/08/33/87/572083387.db2.gz CRUPEPRPNVXIIS-SECBINFHSA-N 0 3 181.239 1.309 10 0 ADAEHN CC[C@](C)(O)CNCc1ccoc1 82687259 572085314 /nfs/dbraw/zinc/08/53/14/572085314.db2.gz CZULRDWUSKTDDF-JTQLQIEISA-N 0 3 183.251 1.530 10 0 ADAEHN CC1(C)C[C@H]1NC[C@@H](O)C(F)(F)F 82681067 572085338 /nfs/dbraw/zinc/08/53/38/572085338.db2.gz ITPCGXXGLNWVRV-PHDIDXHHSA-N 0 3 197.200 1.298 10 0 ADAEHN COc1c([O-])c[nH+]c(C)c1C 34491201 572085342 /nfs/dbraw/zinc/08/53/42/572085342.db2.gz FNZBCXOEZCYHFI-UHFFFAOYSA-N 0 3 153.181 1.413 10 0 ADAEHN CCCCOc1cc(CN)ccn1 37093135 572086133 /nfs/dbraw/zinc/08/61/33/572086133.db2.gz ZAKZWDIGYSODKA-UHFFFAOYSA-N 0 3 180.251 1.719 10 0 ADAEHN CCCOc1ccc(OC)cc1CN 37094198 572086146 /nfs/dbraw/zinc/08/61/46/572086146.db2.gz NKQRIHFFGNGTLZ-UHFFFAOYSA-N 0 3 195.262 1.943 10 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1.176 10 0 ADAEHN CC(C)N(CC[S@](C)=O)C1CC1 685968271 757300640 /nfs/dbraw/zinc/30/06/40/757300640.db2.gz JNAJQSHQBMHECI-LBPRGKRZSA-N 0 3 189.324 1.238 10 0 ADAEHN CCCN[C@@H](c1ccco1)[C@H](C)CO 82918380 572173719 /nfs/dbraw/zinc/17/37/19/572173719.db2.gz BAMXSMXJNFRHQL-MWLCHTKSSA-N 0 3 197.278 1.949 10 0 ADAEHN CCC(=N)Nc1cc(CC)[nH]n1 34499202 572088281 /nfs/dbraw/zinc/08/82/81/572088281.db2.gz BDLXLQBLQUSWNE-UHFFFAOYSA-N 0 3 166.228 1.771 10 0 ADAEHN Cc1cc(NN)nc(SC(C)C)n1 34501633 572088301 /nfs/dbraw/zinc/08/83/01/572088301.db2.gz YJNKHPJNMPWGPU-UHFFFAOYSA-N 0 3 198.295 1.571 10 0 ADAEHN COC(CCN1CC[C@@H](F)C1)OC 686612635 757303485 /nfs/dbraw/zinc/30/34/85/757303485.db2.gz VGOHSLYWPKLDAE-MRVPVSSYSA-N 0 3 191.246 1.039 10 0 ADAEHN CCN[C@H](c1ccco1)[C@H](C)CO 82918213 572173738 /nfs/dbraw/zinc/17/37/38/572173738.db2.gz AFDUMPKBLKSBDC-SCZZXKLOSA-N 0 3 183.251 1.559 10 0 ADAEHN CN[C@@H](CCO)c1cccc(F)c1 82918250 572173742 /nfs/dbraw/zinc/17/37/42/572173742.db2.gz YQMIKSSJDBAHKA-JTQLQIEISA-N 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75396735 572839676 /nfs/dbraw/zinc/83/96/76/572839676.db2.gz CHYQSYJIJBEENM-MRVPVSSYSA-N 0 3 193.294 1.380 10 0 ADAEHN C[C@@]1(c2ccccn2)C[C@@H](O)CCN1 77277155 572879687 /nfs/dbraw/zinc/87/96/87/572879687.db2.gz GBJIXMWTVBLDGR-ONGXEEELSA-N 0 3 192.262 1.041 10 0 ADAEHN CN(C)C[C@H]1CNc2cc[nH]c2S1 75599524 572879815 /nfs/dbraw/zinc/87/98/15/572879815.db2.gz WWIDZRQHBBPVHG-SSDOTTSWSA-N 0 3 197.307 1.463 10 0 ADAEHN C[C@@]1(c2ccncc2)C[C@H](O)CCN1 77277179 572879889 /nfs/dbraw/zinc/87/98/89/572879889.db2.gz ANCHSIGKTCKMST-MNOVXSKESA-N 0 3 192.262 1.041 10 0 ADAEHN CN[C@@H](C)C(=O)CC1(C)CCC1 307971077 572879928 /nfs/dbraw/zinc/87/99/28/572879928.db2.gz XTMBDPGDHBAAHU-QMMMGPOBSA-N 0 3 169.268 1.744 10 0 ADAEHN CN(C)C[C@@H]1CN(C)c2occc2O1 75595794 572895565 /nfs/dbraw/zinc/89/55/65/572895565.db2.gz LBNSJIWIBGAGRD-MRVPVSSYSA-N 0 3 196.250 1.038 10 0 ADAEHN CCCCc1noc([C@H]2CCCN2)n1 86314647 572914076 /nfs/dbraw/zinc/91/40/76/572914076.db2.gz LOOHCWIQIMQXQF-MRVPVSSYSA-N 0 3 195.266 1.837 10 0 ADAEHN N[C@H]1COCc2ccc3c(c21)CCO3 713775826 572915926 /nfs/dbraw/zinc/91/59/26/572915926.db2.gz SCDSNJKXBNWURX-VIFPVBQESA-N 0 3 191.230 1.152 10 0 ADAEHN COc1ccc([C@]2(F)C[C@H]2N)cc1 207448557 572915971 /nfs/dbraw/zinc/91/59/71/572915971.db2.gz IFVJHRWUMHINNO-NXEZZACHSA-N 0 3 181.210 1.591 10 0 ADAEHN C/C=C\CN(C)C 71623861 572923681 /nfs/dbraw/zinc/92/36/81/572923681.db2.gz YEZFZWKMYVDWFK-PLNGDYQASA-N 0 3 99.177 1.124 10 0 ADAEHN COc1cccc2c1CO[C@@H]2CN 141243382 572927027 /nfs/dbraw/zinc/92/70/27/572927027.db2.gz NZSVEUVQZLJKIC-SNVBAGLBSA-N 0 3 179.219 1.225 10 0 ADAEHN COc1ccc2c(c1)[C@H](CN)OC2 141241892 572927046 /nfs/dbraw/zinc/92/70/46/572927046.db2.gz XPVRPGQOJQGAGQ-JTQLQIEISA-N 0 3 179.219 1.225 10 0 ADAEHN CCNCc1cncn1CCCF 308198809 572927053 /nfs/dbraw/zinc/92/70/53/572927053.db2.gz TTYAOBNBKCEDCO-UHFFFAOYSA-N 0 3 185.246 1.352 10 0 ADAEHN NCc1nc(Cl)nc2ccccc12 168695545 572933837 /nfs/dbraw/zinc/93/38/37/572933837.db2.gz WWXGLCLFXQFPQO-UHFFFAOYSA-N 0 3 193.637 1.742 10 0 ADAEHN C[C@H](N)c1cnnn1CCCCF 308203776 572933900 /nfs/dbraw/zinc/93/39/00/572933900.db2.gz GKOFIXCPXDKLCS-ZETCQYMHSA-N 0 3 186.234 1.048 10 0 ADAEHN CCN[C@@H](C)c1cnn(C(F)F)c1 308204911 572933914 /nfs/dbraw/zinc/93/39/14/572933914.db2.gz YBTGALUMGQAJRV-LURJTMIESA-N 0 3 189.209 1.949 10 0 ADAEHN Cc1cccc2c1[C@H](N)CC(=O)N2 57935929 572937073 /nfs/dbraw/zinc/93/70/73/572937073.db2.gz YOLRFGSOTCIANU-SSDOTTSWSA-N 0 3 176.219 1.337 10 0 ADAEHN C[C@H]1OCC(C)(C)NC1(C)C 57935335 572937118 /nfs/dbraw/zinc/93/71/18/572937118.db2.gz NROQDVHAUGNXRD-SSDOTTSWSA-N 0 3 157.257 1.552 10 0 ADAEHN Cc1ccc2c(c1)[C@@H](N)CC2=O 57935400 572937172 /nfs/dbraw/zinc/93/71/72/572937172.db2.gz ZHDGPNHHFRQYEI-VIFPVBQESA-N 0 3 161.204 1.581 10 0 ADAEHN Cc1ccc2c(c1)NC(=O)C[C@@H]2N 57935923 572937203 /nfs/dbraw/zinc/93/72/03/572937203.db2.gz SJUHAHOTINQARQ-QMMMGPOBSA-N 0 3 176.219 1.337 10 0 ADAEHN C[C@H]1CO[C@H](C)C(C)(C)N1 57935251 572938527 /nfs/dbraw/zinc/93/85/27/572938527.db2.gz PFEKZPOHCPLOQS-NKWVEPMBSA-N 0 3 143.230 1.162 10 0 ADAEHN C[C@@H]1CNC(C)(C)[C@@H](C)O1 57935264 572938554 /nfs/dbraw/zinc/93/85/54/572938554.db2.gz QSKJMBDVKCIDOV-RNFRBKRXSA-N 0 3 143.230 1.162 10 0 ADAEHN C[C@@H]1CO[C@H](C)C(C)(C)N1 57935248 572938587 /nfs/dbraw/zinc/93/85/87/572938587.db2.gz PFEKZPOHCPLOQS-RNFRBKRXSA-N 0 3 143.230 1.162 10 0 ADAEHN CCSC[C@@H](N)c1c(C)cnn1C 308207872 572943706 /nfs/dbraw/zinc/94/37/06/572943706.db2.gz JEHAOSZBHJSKFN-MRVPVSSYSA-N 0 3 199.323 1.481 10 0 ADAEHN C[C@@H](CC1CC1)C[C@H]1COCCN1 308211477 572943785 /nfs/dbraw/zinc/94/37/85/572943785.db2.gz LFQUWQQUCRDUCR-ONGXEEELSA-N 0 3 183.295 1.801 10 0 ADAEHN CC(C)=CCN1CC[C@@]12CCOC2 1117990546 757648394 /nfs/dbraw/zinc/64/83/94/757648394.db2.gz ZWHQGWPXMIZVBY-NSHDSACASA-N 0 3 181.279 1.817 10 0 ADAEHN CC(C)=CCN1CC[C@]12CCOC2 1117990545 757651634 /nfs/dbraw/zinc/65/16/34/757651634.db2.gz ZWHQGWPXMIZVBY-LLVKDONJSA-N 0 3 181.279 1.817 10 0 ADAEHN CCN[C@@H](C)c1cnnn1C1CC1 308213039 572948699 /nfs/dbraw/zinc/94/86/99/572948699.db2.gz MEZCSAKECHLHFV-ZETCQYMHSA-N 0 3 180.255 1.284 10 0 ADAEHN NCc1cnoc1-c1ccco1 257684726 572948714 /nfs/dbraw/zinc/94/87/14/572948714.db2.gz BCKVXWGMFXHPDU-UHFFFAOYSA-N 0 3 164.164 1.393 10 0 ADAEHN COCCN(C)CC[C@@H]1CCCC1=O 86530258 572950329 /nfs/dbraw/zinc/95/03/29/572950329.db2.gz VRHFNNKMUSVKBN-JTQLQIEISA-N 0 3 199.294 1.324 10 0 ADAEHN CC(C)OCCN1CC[C@]12CCOC2 1118053588 757658002 /nfs/dbraw/zinc/65/80/02/757658002.db2.gz MGNPBDJRJCKMBS-LLVKDONJSA-N 0 3 199.294 1.276 10 0 ADAEHN CC(C)OCCN1CC[C@@]12CCOC2 1118053590 757661779 /nfs/dbraw/zinc/66/17/79/757661779.db2.gz MGNPBDJRJCKMBS-NSHDSACASA-N 0 3 199.294 1.276 10 0 ADAEHN OC[C@@H]1CCC[C@@H](c2ccoc2)N1 713813229 572979304 /nfs/dbraw/zinc/97/93/04/572979304.db2.gz QHOFXDXKZPFAEG-UWVGGRQHSA-N 0 3 181.235 1.455 10 0 ADAEHN CCc1nc(N)cc(N2CCCC2)n1 87906138 572996037 /nfs/dbraw/zinc/99/60/37/572996037.db2.gz IRVYHGPSIFHFFC-UHFFFAOYSA-N 0 3 192.266 1.221 10 0 ADAEHN C[C@H]1OCC[C@H]1CNc1ccncc1 235676757 572996043 /nfs/dbraw/zinc/99/60/43/572996043.db2.gz IYGLZDLUDPSXEH-ZJUUUORDSA-N 0 3 192.262 1.919 10 0 ADAEHN COc1ncccc1[C@H](N)C(C)C 104530406 572996046 /nfs/dbraw/zinc/99/60/46/572996046.db2.gz HDOQPJHMWREUAT-SECBINFHSA-N 0 3 180.251 1.746 10 0 ADAEHN C[C@@](O)(CNC1CCC1)C(F)(F)F 308218959 572996085 /nfs/dbraw/zinc/99/60/85/572996085.db2.gz BNKFOZRPISQPDZ-SSDOTTSWSA-N 0 3 197.200 1.442 10 0 ADAEHN Cc1cc(F)c([O-])c(CC2([NH3+])CC2)c1 258205217 572996089 /nfs/dbraw/zinc/99/60/89/572996089.db2.gz YULLRFDMFJLJRG-UHFFFAOYSA-N 0 3 195.237 1.874 10 0 ADAEHN Cc1cc([C@H](C)NC(C)C)n(C)n1 642840146 572996119 /nfs/dbraw/zinc/99/61/19/572996119.db2.gz AWNJONVOFBYOHW-VIFPVBQESA-N 0 3 181.283 1.210 10 0 ADAEHN CCCn1nncc1[C@H](CC)NCC 128340530 572996147 /nfs/dbraw/zinc/99/61/47/572996147.db2.gz WSDDCNUBLPVKMM-VIFPVBQESA-N 0 3 196.298 1.749 10 0 ADAEHN C1=CN2CCCN[C@H]2CCC1 113259744 572998657 /nfs/dbraw/zinc/99/86/57/572998657.db2.gz SSUJUUNLZQVZMO-SECBINFHSA-N 0 3 152.241 1.305 10 0 ADAEHN CN(Cc1cccn1C)C(C)(C)CO 128355180 573001188 /nfs/dbraw/zinc/00/11/88/573001188.db2.gz PMBIVEDMHDHWMP-UHFFFAOYSA-N 0 3 196.294 1.228 10 0 ADAEHN CC(C)C[C@H](C)[C@@H](N)c1cn(C)nn1 308476539 573001369 /nfs/dbraw/zinc/00/13/69/573001369.db2.gz LFFRCCPGQORGDB-WCBMZHEXSA-N 0 3 196.298 1.497 10 0 ADAEHN CCCSc1nc(C)cc(NN)n1 104545241 573001380 /nfs/dbraw/zinc/00/13/80/573001380.db2.gz XZQJYQNGOBTFIZ-UHFFFAOYSA-N 0 3 198.295 1.573 10 0 ADAEHN C[C@H](O)Cc1cccc2c1CNC2 257919548 573001465 /nfs/dbraw/zinc/00/14/65/573001465.db2.gz RGFMGKLYAHHUGZ-QMMMGPOBSA-N 0 3 177.247 1.213 10 0 ADAEHN Cc1ccoc1CN(C)C(C)(C)CO 128353892 573002772 /nfs/dbraw/zinc/00/27/72/573002772.db2.gz KSIPHFYJAJVWKC-UHFFFAOYSA-N 0 3 197.278 1.791 10 0 ADAEHN CCn1cc(C)c(CNC(C)C)n1 308213315 573006012 /nfs/dbraw/zinc/00/60/12/573006012.db2.gz XSDDUVNFAFBFMI-UHFFFAOYSA-N 0 3 181.283 1.709 10 0 ADAEHN CCN[C@H](c1cnnn1C)C(C)(C)C 128352574 573006059 /nfs/dbraw/zinc/00/60/59/573006059.db2.gz CGTLVXXYQOGHPI-SECBINFHSA-N 0 3 196.298 1.512 10 0 ADAEHN Cc1ccc(C[C@H]2NCCO2)cc1 258214850 573006084 /nfs/dbraw/zinc/00/60/84/573006084.db2.gz WTUWKLWFFCOJSS-NSHDSACASA-N 0 3 177.247 1.483 10 0 ADAEHN C1CN[C@H]([C@H]2CCCS2)OC1 258219765 573011357 /nfs/dbraw/zinc/01/13/57/573011357.db2.gz XHUAVGSMRISBJI-SFYZADRCSA-N 0 3 173.281 1.218 10 0 ADAEHN O[C@@H]1CCN[C@@H](c2cccc(F)c2)C1 258220975 573013086 /nfs/dbraw/zinc/01/30/86/573013086.db2.gz YOFBVTLGZNPXCK-GHMZBOCLSA-N 0 3 195.237 1.611 10 0 ADAEHN CC(C)N(Cn1cnnc1)C1CC1 308222515 573013111 /nfs/dbraw/zinc/01/31/11/573013111.db2.gz CSSQCVUPWGLYMM-UHFFFAOYSA-N 0 3 180.255 1.108 10 0 ADAEHN CCC[C@H](OC)[C@@H](N)c1ccc[nH]1 308224329 573016219 /nfs/dbraw/zinc/01/62/19/573016219.db2.gz PXLNIBZZZIGWRN-UWVGGRQHSA-N 0 3 182.267 1.830 10 0 ADAEHN Cc1cc(CNCCC(N)=O)cs1 308222689 573016239 /nfs/dbraw/zinc/01/62/39/573016239.db2.gz PBPRJTZXKDDDAT-UHFFFAOYSA-N 0 3 198.291 1.022 10 0 ADAEHN CCC[C@@H](C)[C@@H](NC)c1cnn(C)n1 308475936 573016256 /nfs/dbraw/zinc/01/62/56/573016256.db2.gz LBWQATFZNNPMSL-PSASIEDQSA-N 0 3 196.298 1.512 10 0 ADAEHN CC[NH2+]Cc1ccc(F)c([O-])c1 258223553 573017326 /nfs/dbraw/zinc/01/73/26/573017326.db2.gz XVFUHEUPMSCHJT-UHFFFAOYSA-N 0 3 169.199 1.641 10 0 ADAEHN CC(C)N1CCC[C@H]1c1oncc1N 259311368 573017385 /nfs/dbraw/zinc/01/73/85/573017385.db2.gz RIZRXKATAXYFGK-VIFPVBQESA-N 0 3 195.266 1.802 10 0 ADAEHN C[C@@H](O)N1CCCCCC1 113634134 573017467 /nfs/dbraw/zinc/01/74/67/573017467.db2.gz JDUHSMZHVLVDSD-MRVPVSSYSA-N 0 3 143.230 1.201 10 0 ADAEHN CN[C@@H](c1ccc[nH]1)[C@@H](OC)C(C)C 308475928 573017506 /nfs/dbraw/zinc/01/75/06/573017506.db2.gz LBJDTSFEHHYUQP-QWRGUYRKSA-N 0 3 196.294 1.946 10 0 ADAEHN C[C@]1(c2cnc(CN)[nH]2)CCCCO1 258224647 573017787 /nfs/dbraw/zinc/01/77/87/573017787.db2.gz YXAAACRAZDHFNQ-SNVBAGLBSA-N 0 3 195.266 1.284 10 0 ADAEHN COC(=O)C/C=C\[C@@H]1CCCN1C 258223964 573019119 /nfs/dbraw/zinc/01/91/19/573019119.db2.gz PCNFYQNMGBHUHC-AZVKUDOFSA-N 0 3 183.251 1.200 10 0 ADAEHN C[C@H](O)N1CCCCCC1 113634136 573019122 /nfs/dbraw/zinc/01/91/22/573019122.db2.gz JDUHSMZHVLVDSD-QMMMGPOBSA-N 0 3 143.230 1.201 10 0 ADAEHN Cc1ccc2c(c1)CO[C@@H](CN)O2 258226033 573019179 /nfs/dbraw/zinc/01/91/79/573019179.db2.gz OYFZRKPUTVFNAF-SNVBAGLBSA-N 0 3 179.219 1.189 10 0 ADAEHN COc1c(C[C@@H](C)[NH3+])ccc([O-])c1F 258226840 573020932 /nfs/dbraw/zinc/02/09/32/573020932.db2.gz VNAYYUVVENQICL-ZCFIWIBFSA-N 0 3 199.225 1.430 10 0 ADAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CC[C@H]1C 308483065 573020949 /nfs/dbraw/zinc/02/09/49/573020949.db2.gz HUCPGNDKDSNZAH-KKZNHRDASA-N 0 3 198.310 1.419 10 0 ADAEHN CC[C@H](F)CN[C@@]1(C)CCO[C@@H]1C 308484806 573023102 /nfs/dbraw/zinc/02/31/02/573023102.db2.gz OORZGFJKLNBMBX-UTLUCORTSA-N 0 3 189.274 1.892 10 0 ADAEHN CNCc1cc(CN2CCC2)c(C)o1 308484078 573023217 /nfs/dbraw/zinc/02/32/17/573023217.db2.gz ILOXLAMOFQURPI-UHFFFAOYSA-N 0 3 194.278 1.513 10 0 ADAEHN CCc1occc1[C@@](C)(N)CO 104575847 573023378 /nfs/dbraw/zinc/02/33/78/573023378.db2.gz IAICJWZDFDSHEX-VIFPVBQESA-N 0 3 169.224 1.008 10 0 ADAEHN Cc1cnn(C)c1[C@H](N)COC(C)C 308485017 573023410 /nfs/dbraw/zinc/02/34/10/573023410.db2.gz OJXITFKBPUUKSZ-SECBINFHSA-N 0 3 197.282 1.153 10 0 ADAEHN [O-]c1cc(F)cc([C@H]2CC[NH2+]2)c1 104573183 573023423 /nfs/dbraw/zinc/02/34/23/573023423.db2.gz GGDHLOHNXDVERG-SECBINFHSA-N 0 3 167.183 1.566 10 0 ADAEHN CC[C@@H](C(C)C)N1CC[C@@H](NC)C1=O 49649077 573026158 /nfs/dbraw/zinc/02/61/58/573026158.db2.gz QQXDGCMIKCGJGR-ZJUUUORDSA-N 0 3 198.310 1.241 10 0 ADAEHN Cc1ccc2c(c1)[C@](C)(N)CC2=O 113689877 573026222 /nfs/dbraw/zinc/02/62/22/573026222.db2.gz SWGWASFBBSTKFJ-LLVKDONJSA-N 0 3 175.231 1.755 10 0 ADAEHN CCn1c(NC)nc2cc(N)ccc21 45238323 573026233 /nfs/dbraw/zinc/02/62/33/573026233.db2.gz LERMDATUXTYKJB-UHFFFAOYSA-N 0 3 190.250 1.680 10 0 ADAEHN CCc1occc1[C@@H](N)[C@@H](C)O 104575272 573026301 /nfs/dbraw/zinc/02/63/01/573026301.db2.gz QEICNTWWCAATSM-MUWHJKNJSA-N 0 3 169.224 1.223 10 0 ADAEHN CC[C@@H](N)c1cc(O)ccc1OC 104576922 573026313 /nfs/dbraw/zinc/02/63/13/573026313.db2.gz 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Fc1cccc(C[C@@H]2NCCCO2)c1 258539341 573146726 /nfs/dbraw/zinc/14/67/26/573146726.db2.gz OBQHGEYRMBWGGA-LLVKDONJSA-N 0 3 195.237 1.704 10 0 ADAEHN CCc1nc(C2(N)CC2)[nH]c1C 258551940 573146741 /nfs/dbraw/zinc/14/67/41/573146741.db2.gz KWUQEXHMRVDELF-UHFFFAOYSA-N 0 3 165.240 1.228 10 0 ADAEHN CCc1[nH]c(C2(N)CC2)nc1C 258551940 573146742 /nfs/dbraw/zinc/14/67/42/573146742.db2.gz KWUQEXHMRVDELF-UHFFFAOYSA-N 0 3 165.240 1.228 10 0 ADAEHN CCN1CCCC[C@H]1C(C)=O 82645032 573146775 /nfs/dbraw/zinc/14/67/75/573146775.db2.gz GXZHUUDYVRFPDH-VIFPVBQESA-N 0 3 155.241 1.450 10 0 ADAEHN C=Cc1cccc2c1OC[C@H]2N 104663384 573146780 /nfs/dbraw/zinc/14/67/80/573146780.db2.gz YRCRDVAMCBXEAQ-SECBINFHSA-N 0 3 161.204 1.722 10 0 ADAEHN CCc1c(C)cc(CN)nc1C 238290457 573146827 /nfs/dbraw/zinc/14/68/27/573146827.db2.gz VFRJAYYXTCJLHS-UHFFFAOYSA-N 0 3 164.252 1.720 10 0 ADAEHN CCn1ncnc1[C@H](N)[C@@H](C)C1CC1 308503077 573146851 /nfs/dbraw/zinc/14/68/51/573146851.db2.gz XNODWASDDVTAPH-IONNQARKSA-N 0 3 194.282 1.344 10 0 ADAEHN CC(=O)[C@H]1CCCCN1C(C)C 82644987 573146857 /nfs/dbraw/zinc/14/68/57/573146857.db2.gz XYLSIJCDPNVMRY-SNVBAGLBSA-N 0 3 169.268 1.838 10 0 ADAEHN Cc1ccnc([C@H]2CCN2)c1 104665284 573146870 /nfs/dbraw/zinc/14/68/70/573146870.db2.gz YOUXOBXIUGDGCC-MRVPVSSYSA-N 0 3 148.209 1.424 10 0 ADAEHN CCCN1CCCC[C@H]1C(C)=O 82645136 573148140 /nfs/dbraw/zinc/14/81/40/573148140.db2.gz ALPYEPUXKFBVPD-JTQLQIEISA-N 0 3 169.268 1.840 10 0 ADAEHN CCNc1ccnc(CC(=O)OC)c1 308504138 573148297 /nfs/dbraw/zinc/14/82/97/573148297.db2.gz HXPGNMYZWCGICV-UHFFFAOYSA-N 0 3 194.234 1.229 10 0 ADAEHN C[C@H](F)[C@H](F)[C@@H]1CCCCN1 114982780 573148328 /nfs/dbraw/zinc/14/83/28/573148328.db2.gz XPUKGQPOZVTPJI-FXQIFTODSA-N 0 3 163.211 1.825 10 0 ADAEHN Cn1ccc(CNCc2ccc[nH]2)c1 308504475 573148374 /nfs/dbraw/zinc/14/83/74/573148374.db2.gz CUFHLEXNJULXJC-UHFFFAOYSA-N 0 3 189.262 1.643 10 0 ADAEHN CN[C@H](CN)c1cc2ccccc2o1 82670406 573152564 /nfs/dbraw/zinc/15/25/64/573152564.db2.gz IDFUTDVSNVCIRM-SECBINFHSA-N 0 3 190.246 1.652 10 0 ADAEHN Clc1cccnc1[C@H]1CCN1 104668673 573152579 /nfs/dbraw/zinc/15/25/79/573152579.db2.gz PSQNLTRSPBETIB-SSDOTTSWSA-N 0 3 168.627 1.769 10 0 ADAEHN CC(C)C(=O)[C@@H]1CN2CCC[C@@H]2CO1 85793214 573152588 /nfs/dbraw/zinc/15/25/88/573152588.db2.gz MXGIUEQWOAHXIW-ZJUUUORDSA-N 0 3 197.278 1.075 10 0 ADAEHN Cc1ccc(F)c([C@@H](O)CN(C)C)c1 85794601 573152599 /nfs/dbraw/zinc/15/25/99/573152599.db2.gz WHEUHKNETJQKDR-NSHDSACASA-N 0 3 197.253 1.729 10 0 ADAEHN COC[C@@H](N)c1cnc(F)c(C)c1 104666461 573152618 /nfs/dbraw/zinc/15/26/18/573152618.db2.gz BRTZGCCTODBRQZ-MRVPVSSYSA-N 0 3 184.214 1.175 10 0 ADAEHN C=Cc1cccc2c1OC[C@@H]2N 104668217 573153777 /nfs/dbraw/zinc/15/37/77/573153777.db2.gz YRCRDVAMCBXEAQ-VIFPVBQESA-N 0 3 161.204 1.722 10 0 ADAEHN CC[C@H](N)c1cc(N)cnc1OC 104666159 573153795 /nfs/dbraw/zinc/15/37/95/573153795.db2.gz RAXWYXYBIWOSKT-QMMMGPOBSA-N 0 3 181.239 1.082 10 0 ADAEHN CCO[C@@H](C)[C@@H](N)c1cnc(C)n1C 308505994 573153817 /nfs/dbraw/zinc/15/38/17/573153817.db2.gz YZMJRIIFUXARIN-OIBJUYFYSA-N 0 3 197.282 1.153 10 0 ADAEHN COC[C@H](N)c1ccc(N)c(F)c1 104667571 573153838 /nfs/dbraw/zinc/15/38/38/573153838.db2.gz DXBFRBAHZVRKDV-VIFPVBQESA-N 0 3 184.214 1.054 10 0 ADAEHN CC1(C)CN[C@@H]([C@@H]2CCCCO2)OC1 258554908 573153864 /nfs/dbraw/zinc/15/38/64/573153864.db2.gz OSBFYOGPYHTURW-VHSXEESVSA-N 0 3 199.294 1.528 10 0 ADAEHN CCOC(=O)SC(=N)NC 238292961 573156994 /nfs/dbraw/zinc/15/69/94/573156994.db2.gz MLTIDJWUSBSJGK-UHFFFAOYSA-N 0 3 162.214 1.030 10 0 ADAEHN CCO[C@@H](C)[C@H](N)c1cnc(C)n1C 308505998 573156997 /nfs/dbraw/zinc/15/69/97/573156997.db2.gz YZMJRIIFUXARIN-XVKPBYJWSA-N 0 3 197.282 1.153 10 0 ADAEHN CCc1ccc2ncc(N)n2c1OC 238293955 573157019 /nfs/dbraw/zinc/15/70/19/573157019.db2.gz BKWNDLYXNICEGR-UHFFFAOYSA-N 0 3 191.234 1.488 10 0 ADAEHN CCOc1ncccc1[C@@H](C)N 104669256 573157085 /nfs/dbraw/zinc/15/70/85/573157085.db2.gz JLQADYPYLYPICT-SSDOTTSWSA-N 0 3 166.224 1.500 10 0 ADAEHN CN(C)Cc1c[nH]c2ncncc12 89223804 573157091 /nfs/dbraw/zinc/15/70/91/573157091.db2.gz NPWPREOBVUYNGI-UHFFFAOYSA-N 0 3 176.223 1.020 10 0 ADAEHN Fc1cc([C@H]2CCN2)cnc1F 104672435 573157113 /nfs/dbraw/zinc/15/71/13/573157113.db2.gz GMHLJWPHJZRZMP-SSDOTTSWSA-N 0 3 170.162 1.394 10 0 ADAEHN Nc1cc2c(cc1Cl)[C@@H](N)CO2 104669697 573157126 /nfs/dbraw/zinc/15/71/26/573157126.db2.gz RKVAMJAOKIQGHV-ZETCQYMHSA-N 0 3 184.626 1.314 10 0 ADAEHN Cc1cnc2cc(CN)[nH]c2c1 258544057 573157134 /nfs/dbraw/zinc/15/71/34/573157134.db2.gz OVEFYZOFWLTMMB-UHFFFAOYSA-N 0 3 161.208 1.330 10 0 ADAEHN CC[C@H](C)N[C@H](C)c1cncnc1 308506482 573157153 /nfs/dbraw/zinc/15/71/53/573157153.db2.gz ZIONQRZPJSBLGT-DTWKUNHWSA-N 0 3 179.267 1.926 10 0 ADAEHN CCn1ncnc1[C@@H](N)CC(C)(C)C 308506857 573157288 /nfs/dbraw/zinc/15/72/88/573157288.db2.gz ZITFUEAYDICCFE-QMMMGPOBSA-N 0 3 196.298 1.734 10 0 ADAEHN Nc1cccnc1[C@H](N)CC1CC1 104669805 573158569 /nfs/dbraw/zinc/15/85/69/573158569.db2.gz WUHVOFDXHLNORJ-SECBINFHSA-N 0 3 177.251 1.464 10 0 ADAEHN CN[C@H]1Cc2ccc(OC)cc21 258562209 573160036 /nfs/dbraw/zinc/16/00/36/573160036.db2.gz QQWWYUNQRNLPQW-JTQLQIEISA-N 0 3 163.220 1.512 10 0 ADAEHN C[C@@H](N)c1cc(Cl)ncc1F 104669923 573160044 /nfs/dbraw/zinc/16/00/44/573160044.db2.gz JJOAMXANLBDVGU-SCSAIBSYSA-N 0 3 174.606 1.894 10 0 ADAEHN Cc1c(O)cccc1[C@@H](N)[C@H](C)O 104672018 573160080 /nfs/dbraw/zinc/16/00/80/573160080.db2.gz GJVLAVGYPRDBNQ-XVKPBYJWSA-N 0 3 181.235 1.081 10 0 ADAEHN COC[C@H](N)c1cccc(C)c1N 104669354 573160090 /nfs/dbraw/zinc/16/00/90/573160090.db2.gz CLJYUXKPEIKEMQ-VIFPVBQESA-N 0 3 180.251 1.223 10 0 ADAEHN Cn1ncc2ccc(CN)c(F)c21 259350122 573160126 /nfs/dbraw/zinc/16/01/26/573160126.db2.gz HYEKPMDSDWMMLI-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN CCN1CC[C@H](Cc2oncc2N)C1 259348974 573162798 /nfs/dbraw/zinc/16/27/98/573162798.db2.gz UEPYJFNVUDIYEQ-MRVPVSSYSA-N 0 3 195.266 1.141 10 0 ADAEHN NCc1cc(C2CC2)c[nH]c1=O 258562258 573163860 /nfs/dbraw/zinc/16/38/60/573163860.db2.gz QRWFKYZXMUNNQO-UHFFFAOYSA-N 0 3 164.208 1.123 10 0 ADAEHN O=c1cccc([C@@H]2CCCCN2)[nH]1 104673365 573163872 /nfs/dbraw/zinc/16/38/72/573163872.db2.gz WLEYJWDGSOPKCI-QMMMGPOBSA-N 0 3 178.235 1.602 10 0 ADAEHN Cc1ccncc1CN1CC[C@@H]1C 1141031385 757967749 /nfs/dbraw/zinc/96/77/49/757967749.db2.gz LMDLVGHFNRFUSX-JTQLQIEISA-N 0 3 176.263 1.984 10 0 ADAEHN N[C@@H]1CCOc2c(O)cc(F)cc21 104672977 573164053 /nfs/dbraw/zinc/16/40/53/573164053.db2.gz ZYFQRAPXOYEVSL-SSDOTTSWSA-N 0 3 183.182 1.314 10 0 ADAEHN CCSc1cc(N)c(N)c(CN)c1 238297554 573164072 /nfs/dbraw/zinc/16/40/72/573164072.db2.gz GWFDKVPPOONGGT-UHFFFAOYSA-N 0 3 197.307 1.422 10 0 ADAEHN C[C@H]1CN[C@@H](Cc2ccco2)O1 258559178 573164080 /nfs/dbraw/zinc/16/40/80/573164080.db2.gz OXDIDCQYCQKANW-IONNQARKSA-N 0 3 167.208 1.157 10 0 ADAEHN Cc1ccc([C@@H](N)[C@@H](C)O)cc1O 104672797 573164117 /nfs/dbraw/zinc/16/41/17/573164117.db2.gz ILJNWXNGTIJVPJ-XCBNKYQSSA-N 0 3 181.235 1.081 10 0 ADAEHN CC(=O)[C@@H](N)C1CCCCC1 104672658 573164129 /nfs/dbraw/zinc/16/41/29/573164129.db2.gz SJZRSJARUWSESY-SECBINFHSA-N 0 3 155.241 1.483 10 0 ADAEHN Cc1ccncc1CN1CC[C@H]1C 1141031386 757971526 /nfs/dbraw/zinc/97/15/26/757971526.db2.gz LMDLVGHFNRFUSX-SNVBAGLBSA-N 0 3 176.263 1.984 10 0 ADAEHN Cc1cc2c(cc1F)[C@H](N)CO2 104672892 573166355 /nfs/dbraw/zinc/16/63/55/573166355.db2.gz FHDVKOMVEOJDSS-MRVPVSSYSA-N 0 3 167.183 1.526 10 0 ADAEHN NC1([C@H](F)c2ccc(O)cc2)CC1 257957554 573166367 /nfs/dbraw/zinc/16/63/67/573166367.db2.gz WZLHWOHGWXIADJ-SECBINFHSA-N 0 3 181.210 1.894 10 0 ADAEHN CCCc1nc(Cl)cc(NN)n1 82707651 573166472 /nfs/dbraw/zinc/16/64/72/573166472.db2.gz LCURMNVHCZEENC-UHFFFAOYSA-N 0 3 186.646 1.368 10 0 ADAEHN c1nocc1OCCN1CCCCC1 258564991 573166519 /nfs/dbraw/zinc/16/65/19/573166519.db2.gz PCIYJNNRHQHXRI-UHFFFAOYSA-N 0 3 196.250 1.539 10 0 ADAEHN N[C@H](c1ccc[nH]c1=S)C1CC1 104673217 573166548 /nfs/dbraw/zinc/16/65/48/573166548.db2.gz NWODRPWQYBGMCI-QMMMGPOBSA-N 0 3 180.276 1.780 10 0 ADAEHN C[C@](N)(c1nncn1C1CC1)C1CC1 82757499 573169419 /nfs/dbraw/zinc/16/94/19/573169419.db2.gz GAPPSOVZDVIUMS-SNVBAGLBSA-N 0 3 192.266 1.197 10 0 ADAEHN C[C@@H](N)c1cccn1C(F)F 85834751 573169442 /nfs/dbraw/zinc/16/94/42/573169442.db2.gz ZNDJCMHRSQXWJJ-RXMQYKEDSA-N 0 3 160.167 1.903 10 0 ADAEHN CCc1c(O)ccc2c1OC[C@H]2N 238303047 573169446 /nfs/dbraw/zinc/16/94/46/573169446.db2.gz HHRZTJWOGRZUEP-MRVPVSSYSA-N 0 3 179.219 1.347 10 0 ADAEHN CCn1c(C)nnc1[C@](C)(N)C1CC1 82757478 573169507 /nfs/dbraw/zinc/16/95/07/573169507.db2.gz SMFOSJBVLBGPMB-SNVBAGLBSA-N 0 3 194.282 1.190 10 0 ADAEHN CN[C@@H](O)c1cc(C)c(OC)c(C)c1 259351949 573169518 /nfs/dbraw/zinc/16/95/18/573169518.db2.gz KRNBBBLQTJKVPM-NSHDSACASA-N 0 3 195.262 1.522 10 0 ADAEHN CC[C@]1(C)CC(=O)C[C@H](C)N1C 238303283 573169523 /nfs/dbraw/zinc/16/95/23/573169523.db2.gz WJZIWJNPEHMTNJ-WCBMZHEXSA-N 0 3 169.268 1.838 10 0 ADAEHN C[C@H](N)c1cccn1C(F)F 85834748 573170758 /nfs/dbraw/zinc/17/07/58/573170758.db2.gz ZNDJCMHRSQXWJJ-YFKPBYRVSA-N 0 3 160.167 1.903 10 0 ADAEHN CCC(=O)CCN(C)[C@@H](C)COC 308290761 573170781 /nfs/dbraw/zinc/17/07/81/573170781.db2.gz GXMUMJVMARXGLC-VIFPVBQESA-N 0 3 187.283 1.322 10 0 ADAEHN CC[C@@H](F)CN1CCC[C@H]1CCO 308290507 573170800 /nfs/dbraw/zinc/17/08/00/573170800.db2.gz GUOCIUDOSCHUPP-ZJUUUORDSA-N 0 3 189.274 1.581 10 0 ADAEHN Cc1ccc([C@H](N)C[S@@](C)=O)cc1 82754998 573170867 /nfs/dbraw/zinc/17/08/67/573170867.db2.gz QHZKRCSZICSBFM-MFKMUULPSA-N 0 3 197.303 1.373 10 0 ADAEHN CCc1c(C)ccc2c1[C@H](N)CO2 238298686 573170900 /nfs/dbraw/zinc/17/09/00/573170900.db2.gz RTKVDPLFXIQACX-SECBINFHSA-N 0 3 177.247 1.950 10 0 ADAEHN CN[C@H](C[C@@H](C)OC)c1cn(C)cn1 308509497 573177392 /nfs/dbraw/zinc/17/73/92/573177392.db2.gz BHRDGZNAGRWGCE-RKDXNWHRSA-N 0 3 197.282 1.106 10 0 ADAEHN CCCSC[C@H]1COCCN1 259356466 573182874 /nfs/dbraw/zinc/18/28/74/573182874.db2.gz ZGPBGGRFHPBJNV-MRVPVSSYSA-N 0 3 175.297 1.118 10 0 ADAEHN CCc1c(OC)ccc2ncc(N)n12 238305549 573182948 /nfs/dbraw/zinc/18/29/48/573182948.db2.gz ATURDARSLQZGBI-UHFFFAOYSA-N 0 3 191.234 1.488 10 0 ADAEHN CCc1c(CN)nnn1C1CCC1 257962276 573182949 /nfs/dbraw/zinc/18/29/49/573182949.db2.gz XOZUVIZWOOJXTE-UHFFFAOYSA-N 0 3 180.255 1.024 10 0 ADAEHN COc1ncc(F)cc1C1(N)CC1 104682956 573186678 /nfs/dbraw/zinc/18/66/78/573186678.db2.gz PDJXIFYHXVGMKT-UHFFFAOYSA-N 0 3 182.198 1.177 10 0 ADAEHN CNc1ccc2c(n1)NCCC2 222659362 573186698 /nfs/dbraw/zinc/18/66/98/573186698.db2.gz KBKKPCUMWDVPRU-UHFFFAOYSA-N 0 3 163.224 1.481 10 0 ADAEHN CN1CCC[C@@H]1[C@@H]1NCC(C)(C)CO1 258571816 573186738 /nfs/dbraw/zinc/18/67/38/573186738.db2.gz PLPLJZPPHCRFQM-NXEZZACHSA-N 0 3 198.310 1.053 10 0 ADAEHN C/C=C/CCNCc1cncn1C 123793262 573186749 /nfs/dbraw/zinc/18/67/49/573186749.db2.gz BNHLPQQGSNELCT-ONEGZZNKSA-N 0 3 179.267 1.476 10 0 ADAEHN NCc1cncc(-c2cnco2)c1 74308806 573186809 /nfs/dbraw/zinc/18/68/09/573186809.db2.gz WXYHWKCUKYQCHN-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN CC(C)Oc1cccc2c1OC[C@@H]2N 104682729 573186814 /nfs/dbraw/zinc/18/68/14/573186814.db2.gz MHFZWEYMSAAWSA-VIFPVBQESA-N 0 3 193.246 1.866 10 0 ADAEHN C(=C\C1CC1)\CNCc1cn[nH]c1 393507669 573186963 /nfs/dbraw/zinc/18/69/63/573186963.db2.gz WPEBQNYDPAGFLH-UPHRSURJSA-N 0 3 177.251 1.466 10 0 ADAEHN NC1(c2cnc3ccoc3c2)CC1 104684594 573186990 /nfs/dbraw/zinc/18/69/90/573186990.db2.gz BLOHMQCWVXYPFO-UHFFFAOYSA-N 0 3 174.203 1.776 10 0 ADAEHN CN(C)[C@H]1C[C@H]1c1ccc(O)cc1 238300573 573186553 /nfs/dbraw/zinc/18/65/53/573186553.db2.gz HLIMURQDWACCJU-QWRGUYRKSA-N 0 3 177.247 1.810 10 0 ADAEHN CCNCSC(C)C 259363717 573188968 /nfs/dbraw/zinc/18/89/68/573188968.db2.gz ZTFSMWOBTMSMIA-UHFFFAOYSA-N 0 3 133.260 1.695 10 0 ADAEHN C/C=C/C=C\CN1CCN(C)CC1 308297941 573188987 /nfs/dbraw/zinc/18/89/87/573188987.db2.gz KQGJTFOXWQKAHO-ICWBMWKASA-N 0 3 180.295 1.366 10 0 ADAEHN CC[C@@H]1NC[C@@H](C)N=C1C 104690255 573189011 /nfs/dbraw/zinc/18/90/11/573189011.db2.gz JITWMZWPNVLGQA-SVRRBLITSA-N 0 3 140.230 1.218 10 0 ADAEHN Cc1csnc1[C@H](CN)N(C)C 74281080 573189052 /nfs/dbraw/zinc/18/90/52/573189052.db2.gz UAPJKOJMYCUPGV-ZETCQYMHSA-N 0 3 185.296 1.013 10 0 ADAEHN CCc1cc(F)c([O-])c(C[C@H](C)[NH3+])c1 257962696 573189287 /nfs/dbraw/zinc/18/92/87/573189287.db2.gz BZTGMDDONAOJHC-ZETCQYMHSA-N 0 3 197.253 1.983 10 0 ADAEHN CCc1nc(C)c([C@@H](N)CO)s1 259360645 573189495 /nfs/dbraw/zinc/18/94/95/573189495.db2.gz QPZZATAJVDVWDI-LURJTMIESA-N 0 3 186.280 1.006 10 0 ADAEHN NC1(c2c(F)cncc2F)CC1 104685416 573189497 /nfs/dbraw/zinc/18/94/97/573189497.db2.gz BMTJEAXBCOMCRL-UHFFFAOYSA-N 0 3 170.162 1.308 10 0 ADAEHN CN[C@H](CC(C)=O)c1ccncc1 259364243 573189508 /nfs/dbraw/zinc/18/95/08/573189508.db2.gz LEKJLRYBYOGCJR-SNVBAGLBSA-N 0 3 178.235 1.321 10 0 ADAEHN CCC(CC)C[S@@](=O)CCN 129021928 573193129 /nfs/dbraw/zinc/19/31/29/573193129.db2.gz CUZKEUJXMFDYJL-LLVKDONJSA-N 0 3 177.313 1.130 10 0 ADAEHN C[C@H](N)c1coc([C@H]2CCCCN2)n1 257963411 573192611 /nfs/dbraw/zinc/19/26/11/573192611.db2.gz GLNSGCQUCUQUMV-JGVFFNPUSA-N 0 3 195.266 1.509 10 0 ADAEHN CCCc1nc(C(C)(C)N)[nH]c1C 258573470 573192615 /nfs/dbraw/zinc/19/26/15/573192615.db2.gz NRQRBOUNWICNEI-UHFFFAOYSA-N 0 3 181.283 1.864 10 0 ADAEHN CCCc1[nH]c(C(C)(C)N)nc1C 258573470 573192618 /nfs/dbraw/zinc/19/26/18/573192618.db2.gz NRQRBOUNWICNEI-UHFFFAOYSA-N 0 3 181.283 1.864 10 0 ADAEHN CN1CCNCc2ccsc21 238301337 573192664 /nfs/dbraw/zinc/19/26/64/573192664.db2.gz ZDHKSCBFJFJFGX-UHFFFAOYSA-N 0 3 168.265 1.288 10 0 ADAEHN COCCCc1ccc2c(c1)CNC2 257963391 573192846 /nfs/dbraw/zinc/19/28/46/573192846.db2.gz CXGWBRWTJRHGLD-UHFFFAOYSA-N 0 3 191.274 1.869 10 0 ADAEHN CCNc1cc(C(=N)NO)cc(C)n1 115413621 573192856 /nfs/dbraw/zinc/19/28/56/573192856.db2.gz RIFLDDQIGWPUAY-UHFFFAOYSA-N 0 3 194.238 1.126 10 0 ADAEHN CCOCCN(C)C1CC(OC)C1 308302245 573193016 /nfs/dbraw/zinc/19/30/16/573193016.db2.gz LLSHHSWEEFDKLF-UHFFFAOYSA-N 0 3 187.283 1.132 10 0 ADAEHN C[C@@H](N)c1coc([C@H]2CCCCN2)n1 257963408 573193067 /nfs/dbraw/zinc/19/30/67/573193067.db2.gz GLNSGCQUCUQUMV-HTQZYQBOSA-N 0 3 195.266 1.509 10 0 ADAEHN CC[C@@H]1CC(=O)C[C@@H](CC)N1C 238300971 573193095 /nfs/dbraw/zinc/19/30/95/573193095.db2.gz 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ADAEHN CNCc1c[nH]c(C2CCC2)n1 83136744 573423130 /nfs/dbraw/zinc/42/31/30/573423130.db2.gz CBRSMRMCCZVNHA-UHFFFAOYSA-N 0 3 165.240 1.397 10 0 ADAEHN CNCc1cnc(C2CCC2)[nH]1 83136744 573423134 /nfs/dbraw/zinc/42/31/34/573423134.db2.gz CBRSMRMCCZVNHA-UHFFFAOYSA-N 0 3 165.240 1.397 10 0 ADAEHN CCC[C@H](C)CNCc1nnc(C)[nH]1 133675791 573423156 /nfs/dbraw/zinc/42/31/56/573423156.db2.gz BNRGFQMYEJYXQT-QMMMGPOBSA-N 0 3 196.298 1.639 10 0 ADAEHN Cc1cscc1CNCC[C@H](C)O 133687842 573423224 /nfs/dbraw/zinc/42/32/24/573423224.db2.gz CMNNGQWXISQHNQ-VIFPVBQESA-N 0 3 199.319 1.917 10 0 ADAEHN CO[C@H](C(C)C)[C@]1(C)NCCS1 238391633 573423246 /nfs/dbraw/zinc/42/32/46/573423246.db2.gz RWYIRBZLCRXXKR-RKDXNWHRSA-N 0 3 189.324 1.710 10 0 ADAEHN Cc1nc(C2CCC2)nc(C)c1CN 83136649 573423321 /nfs/dbraw/zinc/42/33/21/573423321.db2.gz WTCCUBYAEBJTDS-UHFFFAOYSA-N 0 3 191.278 1.820 10 0 ADAEHN Cc1ccsc1CN[C@@H]1C[C@@H]1CO 308381848 573423330 /nfs/dbraw/zinc/42/33/30/573423330.db2.gz QUIVBGKKFVTXQN-RKDXNWHRSA-N 0 3 197.303 1.527 10 0 ADAEHN CC(C)Cc1[nH]nc2c1CNC2 107221680 573423353 /nfs/dbraw/zinc/42/33/53/573423353.db2.gz DMPDIWRQOAURTM-UHFFFAOYSA-N 0 3 165.240 1.211 10 0 ADAEHN Cc1ccsc1CN[C@H]1C[C@H]1CO 308381845 573423402 /nfs/dbraw/zinc/42/34/02/573423402.db2.gz QUIVBGKKFVTXQN-IUCAKERBSA-N 0 3 197.303 1.527 10 0 ADAEHN C[C@H](CO)Oc1ccccc1[C@@H](C)N 308568394 573423461 /nfs/dbraw/zinc/42/34/61/573423461.db2.gz ZPQNRWRBGHWDQH-RKDXNWHRSA-N 0 3 195.262 1.466 10 0 ADAEHN CN1CCC[C@@H](COc2cn[nH]c2)C1 258647834 573423510 /nfs/dbraw/zinc/42/35/10/573423510.db2.gz SFGRSNQXMBXAAD-SECBINFHSA-N 0 3 195.266 1.130 10 0 ADAEHN COc1cncc([C@@H](N)C2(C)CC2)c1 124334865 573423621 /nfs/dbraw/zinc/42/36/21/573423621.db2.gz HIXKIUXCNDFRTJ-SNVBAGLBSA-N 0 3 192.262 1.890 10 0 ADAEHN C[C@H](O)C(F)(F)[C@H]1CCCN(C)C1 257812250 573429725 /nfs/dbraw/zinc/42/97/25/573429725.db2.gz BPBJLMRDYQLPHI-YUMQZZPRSA-N 0 3 193.237 1.344 10 0 ADAEHN Cn1nc(CN)cc1C1CCC1 258652235 573436238 /nfs/dbraw/zinc/43/62/38/573436238.db2.gz 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308614599 573536624 /nfs/dbraw/zinc/53/66/24/573536624.db2.gz PGLJOWZFEKSAJJ-QMMMGPOBSA-N 0 3 197.282 1.877 10 0 ADAEHN C[C@H](C[NH3+])c1cc(F)cc(F)c1[O-] 107348227 573541708 /nfs/dbraw/zinc/54/17/08/573541708.db2.gz DHYHJMWOWBXXQF-RXMQYKEDSA-N 0 3 187.189 1.733 10 0 ADAEHN NCc1cncn1-c1cccc(F)c1 107352737 573544207 /nfs/dbraw/zinc/54/42/07/573544207.db2.gz UXBDTLUCSQUZMQ-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN Oc1ccc(N[C@@H]2CCCN2)cc1 257824479 573545567 /nfs/dbraw/zinc/54/55/67/573545567.db2.gz GWCNVHNUHKSHNG-SNVBAGLBSA-N 0 3 178.235 1.514 10 0 ADAEHN CC[C@H]1C[C@H]1NCc1c(C)cnn1C 308627679 573545656 /nfs/dbraw/zinc/54/56/56/573545656.db2.gz XLOKLXWUWBQLLT-VHSXEESVSA-N 0 3 193.294 1.617 10 0 ADAEHN COc1c(F)cc(C)cc1[C@@H](N)CO 107367542 573545995 /nfs/dbraw/zinc/54/59/95/573545995.db2.gz ZGVBNLXGUNEDQZ-VIFPVBQESA-N 0 3 199.225 1.135 10 0 ADAEHN F[C@H]1CNCC[C@@H]1C(F)(F)F 257824880 573545999 /nfs/dbraw/zinc/54/59/99/573545999.db2.gz GFEGFACRRVGECX-WHFBIAKZSA-N 0 3 171.137 1.496 10 0 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167.183 1.526 10 0 ADAEHN NC[C@@]1(F)CCc2ccc(O)cc21 257825969 573549467 /nfs/dbraw/zinc/54/94/67/573549467.db2.gz HHCXWPVRDGSAOR-JTQLQIEISA-N 0 3 181.210 1.462 10 0 ADAEHN CCOC(=O)C[C@H]1CCCN(C)[C@@H]1C 259502216 573549486 /nfs/dbraw/zinc/54/94/86/573549486.db2.gz AXFZRTFRIYCNQD-NXEZZACHSA-N 0 3 199.294 1.670 10 0 ADAEHN C[C@H](O)[C@@H](F)[C@H]1CCCN(C)C1 257826003 573549489 /nfs/dbraw/zinc/54/94/89/573549489.db2.gz HIRGQSWDOYEROY-XHNCKOQMSA-N 0 3 175.247 1.047 10 0 ADAEHN C[C@H]1CNCCCN(C(C)(C)C)C1=O 259505169 573554640 /nfs/dbraw/zinc/55/46/40/573554640.db2.gz UAYHUUJISKLIPH-VIFPVBQESA-N 0 3 198.310 1.243 10 0 ADAEHN N[C@@H](c1cc(F)ccc1F)C1(N)CC1 259505762 573554663 /nfs/dbraw/zinc/55/46/63/573554663.db2.gz RFQBVJSOLPYXAF-VIFPVBQESA-N 0 3 198.216 1.456 10 0 ADAEHN N[C@H](c1cc(F)ccc1F)C1(N)CC1 259505759 573556956 /nfs/dbraw/zinc/55/69/56/573556956.db2.gz RFQBVJSOLPYXAF-SECBINFHSA-N 0 3 198.216 1.456 10 0 ADAEHN CN[C@@H]1CCc2cc(C)oc21 107397904 573557013 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1.437 10 0 ADAEHN CC[C@H](N)c1c(N)cccc1F 104580163 573029091 /nfs/dbraw/zinc/02/90/91/573029091.db2.gz ZNCDRZFKEFBTTM-ZETCQYMHSA-N 0 3 168.215 1.818 10 0 ADAEHN CSC[C@@H](N)c1cnccc1C 85441453 573029887 /nfs/dbraw/zinc/02/98/87/573029887.db2.gz RRZKVQNMVZFMLM-SECBINFHSA-N 0 3 182.292 1.753 10 0 ADAEHN CC[C@@H](N)c1cccc(F)c1N 104577609 573029914 /nfs/dbraw/zinc/02/99/14/573029914.db2.gz JGAUOAJWDZOIMA-MRVPVSSYSA-N 0 3 168.215 1.818 10 0 ADAEHN Nc1ccc(O)cc1[C@H](N)C1CC1 104577672 573030022 /nfs/dbraw/zinc/03/00/22/573030022.db2.gz JPAXVADJKWKVST-SNVBAGLBSA-N 0 3 178.235 1.384 10 0 ADAEHN CC[C@H](N)c1occc1C 82410488 573030043 /nfs/dbraw/zinc/03/00/43/573030043.db2.gz QQDRNGQGECUIER-ZETCQYMHSA-N 0 3 139.198 1.998 10 0 ADAEHN N[C@@H](O)c1c[nH]c2ccccc12 259315428 573030112 /nfs/dbraw/zinc/03/01/12/573030112.db2.gz IPBGMMKKHIXAPG-VIFPVBQESA-N 0 3 162.192 1.118 10 0 ADAEHN CC[C@@H](C)Oc1ncc(CNC)cn1 308479161 573030138 /nfs/dbraw/zinc/03/01/38/573030138.db2.gz FZACMQVEQIXYSN-MRVPVSSYSA-N 0 3 195.266 1.373 10 0 ADAEHN Cc1oc(CN)nc1[C@H]1CCCCN1 258229969 573030145 /nfs/dbraw/zinc/03/01/45/573030145.db2.gz ZJUXEACNCJDEGR-MRVPVSSYSA-N 0 3 195.266 1.256 10 0 ADAEHN Cc1cc(C)c([C@H](N)[C@H](C)O)[nH]1 104579859 573030147 /nfs/dbraw/zinc/03/01/47/573030147.db2.gz FDWWAUNPGMGCDP-JGVFFNPUSA-N 0 3 168.240 1.012 10 0 ADAEHN CC[C@H](C)Oc1ncc(CNC)cn1 308479163 573030161 /nfs/dbraw/zinc/03/01/61/573030161.db2.gz FZACMQVEQIXYSN-QMMMGPOBSA-N 0 3 195.266 1.373 10 0 ADAEHN Cc1nc([C@H]2CCCO2)sc1CN 82420678 573030206 /nfs/dbraw/zinc/03/02/06/573030206.db2.gz ZNAKJRFVYGXLFK-SSDOTTSWSA-N 0 3 198.291 1.762 10 0 ADAEHN Cc1nc([C@@H]2CCCO2)sc1CN 82420677 573030215 /nfs/dbraw/zinc/03/02/15/573030215.db2.gz ZNAKJRFVYGXLFK-ZETCQYMHSA-N 0 3 198.291 1.762 10 0 ADAEHN OCc1ccc(F)c([C@@H]2CCN2)c1 104579228 573030271 /nfs/dbraw/zinc/03/02/71/573030271.db2.gz QAYOVGUBCTYAGS-JTQLQIEISA-N 0 3 181.210 1.352 10 0 ADAEHN Cn1ccc2c1C(C)(C)CNC2 82404191 573030280 /nfs/dbraw/zinc/03/02/80/573030280.db2.gz 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1.372 10 0 ADAEHN CCN[C@]1(OC)CC1(C)C 104627593 573088066 /nfs/dbraw/zinc/08/80/66/573088066.db2.gz ZZDVGQYMNPDVDC-QMMMGPOBSA-N 0 3 143.230 1.369 10 0 ADAEHN CC(C)SC[C@H]1CN(C)CCN1 259325440 573088116 /nfs/dbraw/zinc/08/81/16/573088116.db2.gz WLZBOTCMVZWDRA-SECBINFHSA-N 0 3 188.340 1.032 10 0 ADAEHN CCC[C@H]1CCCCN1CO 238273019 573088408 /nfs/dbraw/zinc/08/84/08/573088408.db2.gz XVBXMNQSDDEJDM-VIFPVBQESA-N 0 3 157.257 1.591 10 0 ADAEHN CC(C)(C)N1CCCNC1 104626165 573090197 /nfs/dbraw/zinc/09/01/97/573090197.db2.gz HYMKTHAZGZEHIS-UHFFFAOYSA-N 0 3 142.246 1.038 10 0 ADAEHN COCNCC(C)(C)c1cccnc1 259138945 573596903 /nfs/dbraw/zinc/59/69/03/573596903.db2.gz RHLHYZBJKGYUOZ-UHFFFAOYSA-N 0 3 194.278 1.553 10 0 ADAEHN Cc1cn(C[C@H](C)N(C)C)c(=S)[nH]1 88154954 573090971 /nfs/dbraw/zinc/09/09/71/573090971.db2.gz ODLUZFMTILBWOJ-QMMMGPOBSA-N 0 3 199.323 1.804 10 0 ADAEHN Cc1cn([C@@H]2CCN(C)C2)c(=S)[nH]1 88154651 573091120 /nfs/dbraw/zinc/09/11/20/573091120.db2.gz LUDGRFBQWUKSDR-MRVPVSSYSA-N 0 3 197.307 1.731 10 0 ADAEHN CCN1CCC[C@@H]1c1ncc(CN)o1 257943046 573091163 /nfs/dbraw/zinc/09/11/63/573091163.db2.gz FMLDSAOGRKMXBR-SECBINFHSA-N 0 3 195.266 1.290 10 0 ADAEHN C[C@@H](N)c1onc2ccc(F)cc12 257943408 573091177 /nfs/dbraw/zinc/09/11/77/573091177.db2.gz VITKYLBFRXLWLT-RXMQYKEDSA-N 0 3 180.182 1.987 10 0 ADAEHN C[C@](N)(CCO)c1ccccc1F 82529784 573091237 /nfs/dbraw/zinc/09/12/37/573091237.db2.gz YTAWDEAOEDZBCC-JTQLQIEISA-N 0 3 183.226 1.382 10 0 ADAEHN CCN[C@@]1(OC)CC1(C)C 104627599 573091246 /nfs/dbraw/zinc/09/12/46/573091246.db2.gz ZZDVGQYMNPDVDC-MRVPVSSYSA-N 0 3 143.230 1.369 10 0 ADAEHN NCc1ncnc2cc(F)ccc12 257943465 573091282 /nfs/dbraw/zinc/09/12/82/573091282.db2.gz VJUNXJVZKQIFLR-UHFFFAOYSA-N 0 3 177.182 1.228 10 0 ADAEHN CC(C)(C)[C@H]1CSCN1 104627835 573091390 /nfs/dbraw/zinc/09/13/90/573091390.db2.gz IEISNYKGSQZNIS-ZCFIWIBFSA-N 0 3 145.271 1.695 10 0 ADAEHN NCc1cc(C[C@H]2CCCS2)n[nH]1 259329221 573103366 /nfs/dbraw/zinc/10/33/66/573103366.db2.gz SMFVCMNOEZCCIA-SECBINFHSA-N 0 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/nfs/dbraw/zinc/10/30/94/573103094.db2.gz VQSSGVUUEITKJL-DTWKUNHWSA-N 0 3 170.300 1.863 10 0 ADAEHN CCCC(=O)SCCN 104637659 573103193 /nfs/dbraw/zinc/10/31/93/573103193.db2.gz FOQVIRDEOKKMMB-UHFFFAOYSA-N 0 3 147.243 1.005 10 0 ADAEHN Oc1ccc([C@H](F)[C@@H]2CCN2)cc1 257947646 573121493 /nfs/dbraw/zinc/12/14/93/573121493.db2.gz VUZBQTVSNDPEEV-UWVGGRQHSA-N 0 3 181.210 1.765 10 0 ADAEHN CC(C)c1nnn(C(C)C)c1CN 257944574 573114926 /nfs/dbraw/zinc/11/49/26/573114926.db2.gz VMHLVEIJSSVMOD-UHFFFAOYSA-N 0 3 182.271 1.441 10 0 ADAEHN CCc1ccc(OC)c2c1OC[C@H]2N 238286071 573114998 /nfs/dbraw/zinc/11/49/98/573114998.db2.gz IEOHTDKQUGNGRP-MRVPVSSYSA-N 0 3 193.246 1.650 10 0 ADAEHN CC(C)CC1=N[C@H]2CNCC[C@H]2O1 257944731 573115033 /nfs/dbraw/zinc/11/50/33/573115033.db2.gz LBTYDKSSWMTRBX-DTWKUNHWSA-N 0 3 182.267 1.192 10 0 ADAEHN CC(C)CC1=N[C@@H]2CNCC[C@H]2O1 257944741 573115060 /nfs/dbraw/zinc/11/50/60/573115060.db2.gz LBTYDKSSWMTRBX-RKDXNWHRSA-N 0 3 182.267 1.192 10 0 ADAEHN CC[C@@H](N)c1cnc(Cl)cc1N 238285490 573115065 /nfs/dbraw/zinc/11/50/65/573115065.db2.gz AEXOJNPSRFJSRV-ZCFIWIBFSA-N 0 3 185.658 1.727 10 0 ADAEHN Cc1nn(C)c(NC(C)C)c1CN 82583755 573115116 /nfs/dbraw/zinc/11/51/16/573115116.db2.gz WHXKGNCPYNVZKZ-UHFFFAOYSA-N 0 3 182.271 1.008 10 0 ADAEHN CCc1ccc(OC)c2c1OC[C@@H]2N 238286019 573115119 /nfs/dbraw/zinc/11/51/19/573115119.db2.gz IEOHTDKQUGNGRP-QMMMGPOBSA-N 0 3 193.246 1.650 10 0 ADAEHN c1cc2c(cc1OC1CNC1)NCC2 257943920 573115237 /nfs/dbraw/zinc/11/52/37/573115237.db2.gz IEGMMCORNVPWHE-UHFFFAOYSA-N 0 3 190.246 1.005 10 0 ADAEHN CCc1c(CN)cnn1C(C)C 642827498 573115244 /nfs/dbraw/zinc/11/52/44/573115244.db2.gz KSXYYIDXEQEQDG-UHFFFAOYSA-N 0 3 166.248 1.122 10 0 ADAEHN CC[C@H](N)c1nc2cccnc2n1C 82583470 573115246 /nfs/dbraw/zinc/11/52/46/573115246.db2.gz NROZARQHMDWSQQ-ZETCQYMHSA-N 0 3 190.250 1.378 10 0 ADAEHN CCOc1ccc2c(c1C)[C@H](N)CO2 238287746 573118562 /nfs/dbraw/zinc/11/85/62/573118562.db2.gz QYBVAHWSWSIIGK-MRVPVSSYSA-N 0 3 193.246 1.786 10 0 ADAEHN CC[C@@H](N)c1ccc(N)o1 238280419 573121582 /nfs/dbraw/zinc/12/15/82/573121582.db2.gz RYZMMUHAICXBML-RXMQYKEDSA-N 0 3 140.186 1.272 10 0 ADAEHN CN[C@@H]1CCNc2c(O)cccc21 257947565 573121584 /nfs/dbraw/zinc/12/15/84/573121584.db2.gz VTIJYNVBVMXRHG-MRVPVSSYSA-N 0 3 178.235 1.468 10 0 ADAEHN CC[C@@H]1N[C@@H](C)CC(=O)[C@@H]1C 238288690 573121600 /nfs/dbraw/zinc/12/16/00/573121600.db2.gz ZYKDQVBKWBIVCS-RNJXMRFFSA-N 0 3 155.241 1.352 10 0 ADAEHN C[C@@H]1CN[C@H]([C@@H]2CCCCS2)O1 258536098 573135228 /nfs/dbraw/zinc/13/52/28/573135228.db2.gz NWRLMZLHEMMGNO-VGMNWLOBSA-N 0 3 187.308 1.607 10 0 ADAEHN CN[C@H]1CCNc2c(O)cccc21 257947566 573122330 /nfs/dbraw/zinc/12/23/30/573122330.db2.gz VTIJYNVBVMXRHG-QMMMGPOBSA-N 0 3 178.235 1.468 10 0 ADAEHN C[C@@H]([C@@H](C)NCCF)n1cccn1 308274467 573122334 /nfs/dbraw/zinc/12/23/34/573122334.db2.gz UPAHYEBEYKWIGH-BDAKNGLRSA-N 0 3 185.246 1.392 10 0 ADAEHN Cc1ccc([C@@H](N)[C@H]2CCCO2)cn1 83712415 573597966 /nfs/dbraw/zinc/59/79/66/573597966.db2.gz YXNISUOYORQPGF-GHMZBOCLSA-N 0 3 192.262 1.569 10 0 ADAEHN CC[C@H]1CSCN1 78730900 573598011 /nfs/dbraw/zinc/59/80/11/573598011.db2.gz LDOMRRYKOMKSSX-YFKPBYRVSA-N 0 3 117.217 1.059 10 0 ADAEHN CC(=O)[N-]C(=[NH2+])N(C)c1ccccc1 238283955 573134917 /nfs/dbraw/zinc/13/49/17/573134917.db2.gz WLOCYUVMXDGJBI-UHFFFAOYSA-N 0 3 191.234 1.194 10 0 ADAEHN COC[C@H](N)c1cc(O)ccc1C 104661450 573134928 /nfs/dbraw/zinc/13/49/28/573134928.db2.gz YPAGNRGDARPKLY-JTQLQIEISA-N 0 3 181.235 1.347 10 0 ADAEHN C[C@](F)(CN)[C@H]1CCSC1 258535938 573134956 /nfs/dbraw/zinc/13/49/56/573134956.db2.gz NXNDKXDCQMCOGP-BQBZGAKWSA-N 0 3 163.261 1.426 10 0 ADAEHN CCN1CCC[C@H]1[C@@H]1NC(C)(C)CO1 258535804 573134971 /nfs/dbraw/zinc/13/49/71/573134971.db2.gz NTNRUBIWNKZVRB-VHSXEESVSA-N 0 3 198.310 1.195 10 0 ADAEHN CN(Cc1cc[nH]c1)CC(C)(C)O 258816242 573598047 /nfs/dbraw/zinc/59/80/47/573598047.db2.gz LEPFFPVKOYUGPP-UHFFFAOYSA-N 0 3 182.267 1.217 10 0 ADAEHN N[C@@H](c1ccsc1)[C@H]1CCCO1 83712474 573598054 /nfs/dbraw/zinc/59/80/54/573598054.db2.gz WCUCOVUTNHDGPL-BDAKNGLRSA-N 0 3 183.276 1.927 10 0 ADAEHN NCc1cccn(C2CCC2)c1=O 257951964 573135092 /nfs/dbraw/zinc/13/50/92/573135092.db2.gz WKARELAINZSEMR-UHFFFAOYSA-N 0 3 178.235 1.032 10 0 ADAEHN C/C=C\C[C@@H]1CNCCC1=O 387523474 573135144 /nfs/dbraw/zinc/13/51/44/573135144.db2.gz AKDWQFGDHNPWLZ-YAJNLLPGSA-N 0 3 153.225 1.131 10 0 ADAEHN CCCn1ncc(Cl)c1[C@@H](C)N 123699435 573135157 /nfs/dbraw/zinc/13/51/57/573135157.db2.gz RJJRIXWPYOHVST-ZCFIWIBFSA-N 0 3 187.674 1.966 10 0 ADAEHN CCn1ncc(CN)c1C(F)(F)F 82636942 573137041 /nfs/dbraw/zinc/13/70/41/573137041.db2.gz XEXWULNXGJLRAP-UHFFFAOYSA-N 0 3 193.172 1.381 10 0 ADAEHN CNC(=O)Nc1ccc(F)c(CN)c1 82638076 573137285 /nfs/dbraw/zinc/13/72/85/573137285.db2.gz VGFAHHXZLVDKIB-UHFFFAOYSA-N 0 3 197.213 1.036 10 0 ADAEHN [NH3+][C@@H]1CCc2c(ccc(F)c2[O-])C1 104659686 573137532 /nfs/dbraw/zinc/13/75/32/573137532.db2.gz RVXDHFMUSHVCLD-SSDOTTSWSA-N 0 3 181.210 1.347 10 0 ADAEHN Cc1nc(C)c(C2(N)CC=CC2)o1 74306169 573137540 /nfs/dbraw/zinc/13/75/40/573137540.db2.gz AMHZTFVJZLMVAI-UHFFFAOYSA-N 0 3 178.235 1.795 10 0 ADAEHN COC[C@@H](N)c1ccnc(C)c1 104660284 573137567 /nfs/dbraw/zinc/13/75/67/573137567.db2.gz VDWLXXGTIMQRTF-SECBINFHSA-N 0 3 166.224 1.036 10 0 ADAEHN C[C@@H]1CN[C@@H]([C@@H]2CCCCS2)O1 258536093 573137572 /nfs/dbraw/zinc/13/75/72/573137572.db2.gz NWRLMZLHEMMGNO-HRDYMLBCSA-N 0 3 187.308 1.607 10 0 ADAEHN CN(C)[C@@](C)(CN)c1ccccc1F 82637957 573137579 /nfs/dbraw/zinc/13/75/79/573137579.db2.gz YARPITGKEXIVGH-NSHDSACASA-N 0 3 196.269 1.561 10 0 ADAEHN CC(=O)C1(N(C)C)CCCC1 85751505 573137631 /nfs/dbraw/zinc/13/76/31/573137631.db2.gz FFRGATARNKTHQM-UHFFFAOYSA-N 0 3 155.241 1.450 10 0 ADAEHN Cc1nc(C2CCCC2)ncc1CN 82636678 573137681 /nfs/dbraw/zinc/13/76/81/573137681.db2.gz UHVIBSURXDCYTL-UHFFFAOYSA-N 0 3 191.278 1.901 10 0 ADAEHN Cc1ccc([C@@](C)(N)CO)c(F)c1 104660931 573137690 /nfs/dbraw/zinc/13/76/90/573137690.db2.gz JLPCEAAMSGVVDR-JTQLQIEISA-N 0 3 183.226 1.300 10 0 ADAEHN 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107120003 573356672 /nfs/dbraw/zinc/35/66/72/573356672.db2.gz SOFUICFKFZTEGP-YUMQZZPRSA-N 0 3 161.220 1.113 10 0 ADAEHN COc1ccc(CO)c2c1[C@H](N)CC2 238368147 573356696 /nfs/dbraw/zinc/35/66/96/573356696.db2.gz OGKGSKPZIZLMEE-SECBINFHSA-N 0 3 193.246 1.134 10 0 ADAEHN CCCOCCn1cc(C)c(CN)n1 308561453 573356834 /nfs/dbraw/zinc/35/68/34/573356834.db2.gz XNZGJXGRUGVJRB-UHFFFAOYSA-N 0 3 197.282 1.077 10 0 ADAEHN CC(C)CN1CCC(=O)[C@@H](C)[C@@H]1C 86303205 573356120 /nfs/dbraw/zinc/35/61/20/573356120.db2.gz JDLZJDYHZKHOGG-UWVGGRQHSA-N 0 3 183.295 1.942 10 0 ADAEHN O[C@H](CNC1CC=CC1)C(F)(F)F 132953521 573356261 /nfs/dbraw/zinc/35/62/61/573356261.db2.gz VXDQPJCUCQVCLA-SSDOTTSWSA-N 0 3 195.184 1.218 10 0 ADAEHN CC(C)[C@H]1C[S@](=O)CC(C)(C)N1 86276905 573356293 /nfs/dbraw/zinc/35/62/93/573356293.db2.gz MSFYUZVWPBPXMN-PRHODGIISA-N 0 3 189.324 1.142 10 0 ADAEHN Cc1nc([C@@H]2CCCCO2)[nH]c1CN 258010822 573356404 /nfs/dbraw/zinc/35/64/04/573356404.db2.gz HFKRANIFDRRPAQ-VIFPVBQESA-N 0 3 195.266 1.418 10 0 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1.251 10 0 ADAEHN CN[C@H](c1cnc(C)n1C)[C@@H](C)OC 308562836 573361485 /nfs/dbraw/zinc/36/14/85/573361485.db2.gz XBPAIEGQICYSDG-XCBNKYQSSA-N 0 3 197.282 1.024 10 0 ADAEHN CCNCc1cnccc1N1CCC1 308562724 573360820 /nfs/dbraw/zinc/36/08/20/573360820.db2.gz YKKOMRKQVCCVIB-UHFFFAOYSA-N 0 3 191.278 1.401 10 0 ADAEHN CN[C@H](c1cnc(C)n1C)[C@H](C)OC 308562837 573360861 /nfs/dbraw/zinc/36/08/61/573360861.db2.gz XBPAIEGQICYSDG-XVKPBYJWSA-N 0 3 197.282 1.024 10 0 ADAEHN Cc1nn(C)c2cc(CN)c(F)cc12 259429170 573360909 /nfs/dbraw/zinc/36/09/09/573360909.db2.gz NQGITKICIUENCN-UHFFFAOYSA-N 0 3 193.225 1.480 10 0 ADAEHN NCc1cnc([C@@H]2CCCN2)s1 258293757 573360968 /nfs/dbraw/zinc/36/09/68/573360968.db2.gz ZGARUEIADMICRH-ZETCQYMHSA-N 0 3 183.280 1.026 10 0 ADAEHN C[C@@H]1C(=O)CCN(C2CCC2)[C@@H]1C 86304643 573361015 /nfs/dbraw/zinc/36/10/15/573361015.db2.gz MKGBOLAUOSDEDB-DTWKUNHWSA-N 0 3 181.279 1.838 10 0 ADAEHN NC[C@H]1OCc2ccc(F)cc2CO1 258297847 573361027 /nfs/dbraw/zinc/36/10/27/573361027.db2.gz SIFAPZRUJGDIOR-JTQLQIEISA-N 0 3 197.209 1.157 10 0 ADAEHN C[C@H]1C(=O)CCN(C2CCC2)[C@@H]1C 86304641 573361145 /nfs/dbraw/zinc/36/11/45/573361145.db2.gz MKGBOLAUOSDEDB-RKDXNWHRSA-N 0 3 181.279 1.838 10 0 ADAEHN CC(C)(F)[C@@H](N)Cc1c[nH]cn1 107123187 573361147 /nfs/dbraw/zinc/36/11/47/573361147.db2.gz ALNMTUPLFHAPEK-ZETCQYMHSA-N 0 3 171.219 1.028 10 0 ADAEHN CC[C@@H](C)[C@H](N)C(=O)NC1CC=CC1 133003850 573361252 /nfs/dbraw/zinc/36/12/52/573361252.db2.gz WDTFVPOKOPOMOV-SCZZXKLOSA-N 0 3 196.294 1.195 10 0 ADAEHN C[C@@H]1CO[C@@H](C[C@H]2CCCS2)N1 258312104 573361303 /nfs/dbraw/zinc/36/13/03/573361303.db2.gz CYKCGUZODQKJAW-HLTSFMKQSA-N 0 3 187.308 1.607 10 0 ADAEHN COc1cc(F)c(C2(N)CC2)cc1F 238361792 573363763 /nfs/dbraw/zinc/36/37/63/573363763.db2.gz BTGFQVOEQCNHKC-UHFFFAOYSA-N 0 3 199.200 1.921 10 0 ADAEHN COc1cc(Cl)cc2c1CNC2 238361221 573363083 /nfs/dbraw/zinc/36/30/83/573363083.db2.gz FUPMIJSIBPFZHJ-UHFFFAOYSA-N 0 3 183.638 1.952 10 0 ADAEHN CNc1oncc1C1=CCCNC1 238361949 573363155 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[O-]c1cnc([C@@H]2CCCC[NH2+]C2)nc1 258638014 573363562 /nfs/dbraw/zinc/36/35/62/573363562.db2.gz RWUXVAJFDXJHIG-MRVPVSSYSA-N 0 3 193.250 1.039 10 0 ADAEHN CN[C@@H](COC)c1ccncc1C 132936569 573363599 /nfs/dbraw/zinc/36/35/99/573363599.db2.gz WRHGSLAXAALYFO-JTQLQIEISA-N 0 3 180.251 1.297 10 0 ADAEHN Nc1oncc1CN1CCCCCC1 258007697 573363661 /nfs/dbraw/zinc/36/36/61/573363661.db2.gz ZVRGBBYGPBUQCU-UHFFFAOYSA-N 0 3 195.266 1.633 10 0 ADAEHN Oc1cccc2cc3n(c12)CCNC3 258008636 573368882 /nfs/dbraw/zinc/36/88/82/573368882.db2.gz GMXNLBIKXBDFEB-UHFFFAOYSA-N 0 3 188.230 1.450 10 0 ADAEHN COc1cccc([C@H](N)CC(C)=O)c1 259429531 573368904 /nfs/dbraw/zinc/36/89/04/573368904.db2.gz NBTUQMQNQBLFMC-LLVKDONJSA-N 0 3 193.246 1.674 10 0 ADAEHN NCc1ccc(OCCCCF)cn1 308564100 573368993 /nfs/dbraw/zinc/36/89/93/573368993.db2.gz ZCSGRHMSJWJOMC-UHFFFAOYSA-N 0 3 198.241 1.669 10 0 ADAEHN CN[C@H](C)c1ccc(C(=O)OC)o1 133061052 573368995 /nfs/dbraw/zinc/36/89/95/573368995.db2.gz WSDZEQBCADQRNR-ZCFIWIBFSA-N 0 3 183.207 1.347 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C[C@@H]1CC[C@H](NC2COC2)[C@@H]1C 83043963 573369172 /nfs/dbraw/zinc/36/91/72/573369172.db2.gz VCHGIFCIRDHYLU-MRTMQBJTSA-N 0 3 169.268 1.409 10 0 ADAEHN Cc1ccc2c([O-])ccc(C[NH3+])c2n1 107133386 573369199 /nfs/dbraw/zinc/36/91/99/573369199.db2.gz YWDIAJAKUYRLMJ-UHFFFAOYSA-N 0 3 188.230 1.708 10 0 ADAEHN N[C@@H]1CCNc2cccc(F)c2[C@H]1O 257798825 573369318 /nfs/dbraw/zinc/36/93/18/573369318.db2.gz IYRDOTMROCCTIZ-XCBNKYQSSA-N 0 3 196.225 1.002 10 0 ADAEHN C[C@@H]1CC[C@H](NCc2cc[nH]n2)[C@@H]1C 83040629 573369337 /nfs/dbraw/zinc/36/93/37/573369337.db2.gz PYDHZRCQNOVSFS-KKZNHRDASA-N 0 3 193.294 1.934 10 0 ADAEHN C[C@@H]1CC[C@H](NCc2ncc[nH]2)[C@@H]1C 83041027 573369366 /nfs/dbraw/zinc/36/93/66/573369366.db2.gz KOFMIYBFQJXUFA-BBBLOLIVSA-N 0 3 193.294 1.934 10 0 ADAEHN CN[C@@H](OC)c1ccccc1C 259430516 573369367 /nfs/dbraw/zinc/36/93/67/573369367.db2.gz ZCUFVFGXZRVMTB-JTQLQIEISA-N 0 3 165.236 1.859 10 0 ADAEHN COc1ccnc([C@H](N)C2CC2)c1 238370564 573369528 /nfs/dbraw/zinc/36/95/28/573369528.db2.gz 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573556188 /nfs/dbraw/zinc/55/61/88/573556188.db2.gz BJIJSLBBQSRJSR-GXSJLCMTSA-N 0 3 197.278 1.566 10 0 ADAEHN CN[C@H](c1ccn(C)n1)C(C)(C)C 83573874 573556230 /nfs/dbraw/zinc/55/62/30/573556230.db2.gz DQZBBVOBDFGVIF-SECBINFHSA-N 0 3 181.283 1.727 10 0 ADAEHN N[C@H]1CCCc2cocc21 107396235 573556240 /nfs/dbraw/zinc/55/62/40/573556240.db2.gz HKMPRCJFQZMEKU-QMMMGPOBSA-N 0 3 137.182 1.616 10 0 ADAEHN N[C@H](C1=CCCCC1)c1ccnnc1 236314191 573556290 /nfs/dbraw/zinc/55/62/90/573556290.db2.gz XEAIPEDTJOOATM-LLVKDONJSA-N 0 3 189.262 1.977 10 0 ADAEHN NC1([C@@H](F)c2cccc(O)c2)CC1 257826467 573556310 /nfs/dbraw/zinc/55/63/10/573556310.db2.gz HNDVMOLOOVPOKC-VIFPVBQESA-N 0 3 181.210 1.894 10 0 ADAEHN CN[C@H]1CCCc2ccoc21 107397902 573556319 /nfs/dbraw/zinc/55/63/19/573556319.db2.gz KZWCXIIZMPORRZ-QMMMGPOBSA-N 0 3 151.209 1.876 10 0 ADAEHN Cc1cc2c(o1)[C@@H](N)CCC2 107397976 573556368 /nfs/dbraw/zinc/55/63/68/573556368.db2.gz WIFBOXUPVZKVMK-QMMMGPOBSA-N 0 3 151.209 1.924 10 0 ADAEHN c1noc2c1[C@H](NC1CC1)CC2 107401623 573567589 /nfs/dbraw/zinc/56/75/89/573567589.db2.gz DBEKNGUXMBJSEY-MRVPVSSYSA-N 0 3 164.208 1.414 10 0 ADAEHN CC[C@H]1C[C@H]1NCc1cnc(C)nc1 308624497 573567592 /nfs/dbraw/zinc/56/75/92/573567592.db2.gz VJKLGKUBXAQPQC-WDEREUQCSA-N 0 3 191.278 1.673 10 0 ADAEHN C[C@@H]1CCc2cccnc2[C@@H]1N 107401216 573567621 /nfs/dbraw/zinc/56/76/21/573567621.db2.gz ZGSVTDQICFEVFS-VXNVDRBHSA-N 0 3 162.236 1.664 10 0 ADAEHN N[C@H]1CCc2cc(Cl)oc21 107400030 573567671 /nfs/dbraw/zinc/56/76/71/573567671.db2.gz KMQSCDMKCWZQNM-YFKPBYRVSA-N 0 3 157.600 1.879 10 0 ADAEHN C[C@H]1CCN1c1cccc(F)c1CN 86681798 573567110 /nfs/dbraw/zinc/56/71/10/573567110.db2.gz KHTXXJQPKMYCEW-QMMMGPOBSA-N 0 3 194.253 1.883 10 0 ADAEHN C[C@H]1CCc2cccnc2[C@@H]1N 107401218 573567133 /nfs/dbraw/zinc/56/71/33/573567133.db2.gz ZGSVTDQICFEVFS-IONNQARKSA-N 0 3 162.236 1.664 10 0 ADAEHN N[C@]1(CCO)CCOc2ccccc21 83617915 573567176 /nfs/dbraw/zinc/56/71/76/573567176.db2.gz LYVWHAKEFPUSQD-LLVKDONJSA-N 0 3 193.246 1.006 10 0 ADAEHN CC1CN(c2cccc(F)c2CN)C1 86681785 573567789 /nfs/dbraw/zinc/56/77/89/573567789.db2.gz IJMORYVMTVNNKS-UHFFFAOYSA-N 0 3 194.253 1.741 10 0 ADAEHN CSC(=O)SCCN 95827638 573567286 /nfs/dbraw/zinc/56/72/86/573567286.db2.gz PSBHIACGOSPPBG-UHFFFAOYSA-N 0 3 151.256 1.161 10 0 ADAEHN CCCc1nc(C[C@@H](C)[NH3+])cc(=O)[n-]1 308633425 573567341 /nfs/dbraw/zinc/56/73/41/573567341.db2.gz ZYBLFSUSAJVKGG-SSDOTTSWSA-N 0 3 195.266 1.024 10 0 ADAEHN c1[nH]nc2c1[C@@H](NC1CC1)CC2 107401454 573567354 /nfs/dbraw/zinc/56/73/54/573567354.db2.gz QHZXISFSODUUPD-QMMMGPOBSA-N 0 3 163.224 1.149 10 0 ADAEHN CC[C@@H](N)c1cc(C(=O)OC)c[nH]1 238270830 573567381 /nfs/dbraw/zinc/56/73/81/573567381.db2.gz UPUSRDMEDCDHAZ-SSDOTTSWSA-N 0 3 182.223 1.211 10 0 ADAEHN CC[C@H]1CN(C)CC[C@H]1C(=O)OC 257831136 573567390 /nfs/dbraw/zinc/56/73/90/573567390.db2.gz JNJRBTOAGKUCBC-DTWKUNHWSA-N 0 3 185.267 1.137 10 0 ADAEHN Cc1sc(C)c2c1CNC2 145214974 573567428 /nfs/dbraw/zinc/56/74/28/573567428.db2.gz NGMFYESLRBGZKA-UHFFFAOYSA-N 0 3 153.250 1.968 10 0 ADAEHN CC[C@@H]1C[C@H]1NCc1cnc(C)nc1 308624493 573567439 /nfs/dbraw/zinc/56/74/39/573567439.db2.gz VJKLGKUBXAQPQC-GHMZBOCLSA-N 0 3 191.278 1.673 10 0 ADAEHN COc1cccc([C@@H]2CCN2)c1OC 78677225 573575522 /nfs/dbraw/zinc/57/55/22/573575522.db2.gz XERDBNGVTBGFDD-VIFPVBQESA-N 0 3 193.246 1.738 10 0 ADAEHN NC1CN(Cc2cccc(F)c2F)C1 83634100 573575536 /nfs/dbraw/zinc/57/55/36/573575536.db2.gz WAAOLSKQJXALBH-UHFFFAOYSA-N 0 3 198.216 1.108 10 0 ADAEHN CNCc1cnoc1-c1cccnc1 83630982 573575560 /nfs/dbraw/zinc/57/55/60/573575560.db2.gz QCHVHAGSMVZOBD-UHFFFAOYSA-N 0 3 189.218 1.456 10 0 ADAEHN Fc1ccc(F)c([C@H]2CCN2)c1 78678217 573575586 /nfs/dbraw/zinc/57/55/86/573575586.db2.gz MCPOGYRGMPOKJA-SECBINFHSA-N 0 3 169.174 1.999 10 0 ADAEHN Cc1ccc([C@@H]2CCN2)o1 78677437 573575615 /nfs/dbraw/zinc/57/56/15/573575615.db2.gz LOBIXAFTFPAODX-ZETCQYMHSA-N 0 3 137.182 1.622 10 0 ADAEHN NC1CN(C(=O)CC2=CCCCC2)C1 83635292 573574962 /nfs/dbraw/zinc/57/49/62/573574962.db2.gz HMCVPJBJUAYGLP-UHFFFAOYSA-N 0 3 194.278 1.046 10 0 ADAEHN Cc1ccc([C@H](N)C2(CO)CC2)cc1 259514142 573574990 /nfs/dbraw/zinc/57/49/90/573574990.db2.gz RUJYPFHUNNVYJL-NSHDSACASA-N 0 3 191.274 1.767 10 0 ADAEHN Fc1cccc([C@@H]2CCN2)c1F 78678200 573575148 /nfs/dbraw/zinc/57/51/48/573575148.db2.gz UXPCSZXIVKBXLE-QMMMGPOBSA-N 0 3 169.174 1.999 10 0 ADAEHN COC[C@@H](N)c1ccsc1 78677620 573575179 /nfs/dbraw/zinc/57/51/79/573575179.db2.gz KKKCUKFZPAXMCL-SSDOTTSWSA-N 0 3 157.238 1.394 10 0 ADAEHN Cc1cccc2c1[C@@H](CO)NC2 238445323 573575214 /nfs/dbraw/zinc/57/52/14/573575214.db2.gz ZBHQBZSVFDAJSY-SECBINFHSA-N 0 3 163.220 1.132 10 0 ADAEHN CC[C@H](N)c1ccc(F)cn1 78677759 573575218 /nfs/dbraw/zinc/57/52/18/573575218.db2.gz KXACLVDRTFMASK-ZETCQYMHSA-N 0 3 154.188 1.631 10 0 ADAEHN CCCc1nc(C2(N)CC2)[nH]c1C 258792052 573575323 /nfs/dbraw/zinc/57/53/23/573575323.db2.gz VVVXFOXUECXOHG-UHFFFAOYSA-N 0 3 179.267 1.618 10 0 ADAEHN Cc1[nH]c(N)nc1-c1cccc(O)c1 257832392 573575325 /nfs/dbraw/zinc/57/53/25/573575325.db2.gz JRRCRQQKVDYGDM-UHFFFAOYSA-N 0 3 189.218 1.673 10 0 ADAEHN CCCc1[nH]c(C2(N)CC2)nc1C 258792052 573575329 /nfs/dbraw/zinc/57/53/29/573575329.db2.gz VVVXFOXUECXOHG-UHFFFAOYSA-N 0 3 179.267 1.618 10 0 ADAEHN C[C@@H](c1ccc(F)cc1)N1CC(N)C1 83634052 573575382 /nfs/dbraw/zinc/57/53/82/573575382.db2.gz GMHZEFWXBZMFMS-QMMMGPOBSA-N 0 3 194.253 1.530 10 0 ADAEHN COc1ccc2ncn([C@@H](C)N)c2c1 145268673 573575498 /nfs/dbraw/zinc/57/54/98/573575498.db2.gz YEJAHRYZNKWUEK-ZETCQYMHSA-N 0 3 191.234 1.522 10 0 ADAEHN O[C@@H]1CCCC[C@@H]1N1CC[C@H](F)C1 689908674 573589271 /nfs/dbraw/zinc/58/92/71/573589271.db2.gz JPRGGRMEJKJBCS-LPEHRKFASA-N 0 3 187.258 1.334 10 0 ADAEHN CCCn1cc([C@@](C)(F)[C@H](C)N)cn1 308640930 573589309 /nfs/dbraw/zinc/58/93/09/573589309.db2.gz CZRKITFKDHZXCB-WPRPVWTQSA-N 0 3 199.273 1.825 10 0 ADAEHN C[C@@H]1Oc2cc(N)ccc2NC1=N 75490430 573589359 /nfs/dbraw/zinc/58/93/59/573589359.db2.gz PHBHYGJFVGCSJZ-YFKPBYRVSA-N 0 3 177.207 1.038 10 0 ADAEHN C[C@H]1Oc2cc(N)ccc2NC1=N 75490426 573589384 /nfs/dbraw/zinc/58/93/84/573589384.db2.gz PHBHYGJFVGCSJZ-RXMQYKEDSA-N 0 3 177.207 1.038 10 0 ADAEHN CO[C@H]1CN[C@@H](c2ccccc2F)C1 257833772 573588815 /nfs/dbraw/zinc/58/88/15/573588815.db2.gz KEFOFRLYHCIGJT-LDYMZIIASA-N 0 3 195.237 1.875 10 0 ADAEHN Cc1ccc(S[C@H](O)CN)cc1C 259117129 573588883 /nfs/dbraw/zinc/58/88/83/573588883.db2.gz BOPSKOCJXGAAAC-JTQLQIEISA-N 0 3 197.303 1.673 10 0 ADAEHN CCSCCCN1CC(CO)C1 130463630 573589009 /nfs/dbraw/zinc/58/90/09/573589009.db2.gz XTNFMPPUJZYEPE-UHFFFAOYSA-N 0 3 189.324 1.054 10 0 ADAEHN NCc1ccccc1C1(O)CC1 259521468 573589027 /nfs/dbraw/zinc/58/90/27/573589027.db2.gz SSKBFZIPUDBIKS-UHFFFAOYSA-N 0 3 163.220 1.127 10 0 ADAEHN CCOc1cccc(C2(N)COC2)c1 258809253 573589033 /nfs/dbraw/zinc/58/90/33/573589033.db2.gz XPWVDSBISZIIOS-UHFFFAOYSA-N 0 3 193.246 1.270 10 0 ADAEHN Nc1cc(F)cc2c1CCNC2 259521293 573589055 /nfs/dbraw/zinc/58/90/55/573589055.db2.gz AJTMNCVNVZLLBD-UHFFFAOYSA-N 0 3 166.199 1.054 10 0 ADAEHN Cc1cc([C@H]2CCCN(C)C2)n(C)n1 259117765 573589056 /nfs/dbraw/zinc/58/90/56/573589056.db2.gz RPJIBTJFJVVLJU-JTQLQIEISA-N 0 3 193.294 1.538 10 0 ADAEHN COc1c[nH]cc1[C@@H]1CCCCN1 238443041 573589106 /nfs/dbraw/zinc/58/91/06/573589106.db2.gz WDKGINLFOJEOJC-VIFPVBQESA-N 0 3 180.251 1.838 10 0 ADAEHN CN1CCC(Oc2cnoc2)CC1 258813569 573589161 /nfs/dbraw/zinc/58/91/61/573589161.db2.gz YMFNGUPFWBUHGA-UHFFFAOYSA-N 0 3 182.223 1.148 10 0 ADAEHN Cc1cc(CN[C@H](C)C2(C)CC2)[nH]n1 308631548 573589230 /nfs/dbraw/zinc/58/92/30/573589230.db2.gz ZECBGFBBIJRTON-SECBINFHSA-N 0 3 193.294 1.996 10 0 ADAEHN CC[C@@H](F)CN(C)C1(CO)CCC1 308405678 573593493 /nfs/dbraw/zinc/59/34/93/573593493.db2.gz LNQBDOHBPKNSNO-SECBINFHSA-N 0 3 189.274 1.581 10 0 ADAEHN NCc1ccc2c[nH]nc2c1F 259521966 573593524 /nfs/dbraw/zinc/59/35/24/573593524.db2.gz QJILBRMJBDCSBZ-UHFFFAOYSA-N 0 3 165.171 1.161 10 0 ADAEHN CCc1ncc2c(n1)[C@@H](N)CCC2 259520956 573592835 /nfs/dbraw/zinc/59/28/35/573592835.db2.gz AGILQFZKZBUYLW-QMMMGPOBSA-N 0 3 177.251 1.375 10 0 ADAEHN CC[C@H](F)CN(C)C1(CO)CCC1 308405679 573592876 /nfs/dbraw/zinc/59/28/76/573592876.db2.gz LNQBDOHBPKNSNO-VIFPVBQESA-N 0 3 189.274 1.581 10 0 ADAEHN COc1ccc(C)cc1CCNCN 258788941 573592969 /nfs/dbraw/zinc/59/29/69/573592969.db2.gz CDXXVYXBSDYSCV-UHFFFAOYSA-N 0 3 194.278 1.052 10 0 ADAEHN NC[C@@H](OCC(F)F)c1ccco1 130476782 573593079 /nfs/dbraw/zinc/59/30/79/573593079.db2.gz WAVZKFVUTYIYDY-SSDOTTSWSA-N 0 3 191.177 1.561 10 0 ADAEHN Cc1c(C(F)F)ccnc1CN 238455478 573593304 /nfs/dbraw/zinc/59/33/04/573593304.db2.gz DZTBNVAYBYIMJC-UHFFFAOYSA-N 0 3 172.178 1.786 10 0 ADAEHN CC[C@H](C)N(C)c1ncc(CN)cn1 126630650 573593343 /nfs/dbraw/zinc/59/33/43/573593343.db2.gz XXOVFNPOFVGGRI-QMMMGPOBSA-N 0 3 194.282 1.170 10 0 ADAEHN Cc1c(CN)ncc(F)c1C(F)F 238455285 573593468 /nfs/dbraw/zinc/59/34/68/573593468.db2.gz GRTMOKVAZVVAAV-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN COc1ccc(O)cc1[C@@](C)(F)CN 257835600 573597385 /nfs/dbraw/zinc/59/73/85/573597385.db2.gz LWSOAIKQELSYFI-JTQLQIEISA-N 0 3 199.225 1.544 10 0 ADAEHN CNCC(=O)NCCC1(C)CCCC1 308646601 573597408 /nfs/dbraw/zinc/59/74/08/573597408.db2.gz HSNHPQBPFLSRST-UHFFFAOYSA-N 0 3 198.310 1.292 10 0 ADAEHN CCn1nccc1[C@H](N)[C@@H]1CCCO1 83712240 573597456 /nfs/dbraw/zinc/59/74/56/573597456.db2.gz DMIGQPNEGCVKNM-UWVGGRQHSA-N 0 3 195.266 1.082 10 0 ADAEHN COCNCCc1ccc(F)cc1 259138829 573597493 /nfs/dbraw/zinc/59/74/93/573597493.db2.gz RGDBWMXGVGKVRX-UHFFFAOYSA-N 0 3 183.226 1.562 10 0 ADAEHN C[C@H]1CS[C@H](C)N1 78731254 573597498 /nfs/dbraw/zinc/59/74/98/573597498.db2.gz FGBOEOZFZKNQAX-CRCLSJGQSA-N 0 3 117.217 1.057 10 0 ADAEHN Cc1ccc([C@H](N)[C@H]2CCCO2)cn1 83712413 573597519 /nfs/dbraw/zinc/59/75/19/573597519.db2.gz YXNISUOYORQPGF-MNOVXSKESA-N 0 3 192.262 1.569 10 0 ADAEHN N[C@H](c1cncc(F)c1)[C@H]1CCCO1 83712773 573597549 /nfs/dbraw/zinc/59/75/49/573597549.db2.gz VGRVCMGLBKQHCS-NXEZZACHSA-N 0 3 196.225 1.400 10 0 ADAEHN COC(=O)C[C@@H](c1ccc[nH]1)N(C)C 259522749 573597063 /nfs/dbraw/zinc/59/70/63/573597063.db2.gz MVPIZWSNLGCTIV-VIFPVBQESA-N 0 3 196.250 1.181 10 0 ADAEHN NCc1cnoc1C[C@H]1CCCS1 259139814 573597139 /nfs/dbraw/zinc/59/71/39/573597139.db2.gz HDAJTYWWPZEQIY-MRVPVSSYSA-N 0 3 198.291 1.571 10 0 ADAEHN CC(C)Cn1c([C@H](C)N)cccc1=O 257836014 573597151 /nfs/dbraw/zinc/59/71/51/573597151.db2.gz KSMNIXDMNPYEKT-VIFPVBQESA-N 0 3 194.278 1.524 10 0 ADAEHN Cc1ccc([C@H](N)[C@@H]2CCCO2)cn1 83712409 573597197 /nfs/dbraw/zinc/59/71/97/573597197.db2.gz YXNISUOYORQPGF-QWRGUYRKSA-N 0 3 192.262 1.569 10 0 ADAEHN NCc1cnn([C@H]2CCCSC2)c1 257835956 573597221 /nfs/dbraw/zinc/59/72/21/573597221.db2.gz KRCWMBULCNAPTC-VIFPVBQESA-N 0 3 197.307 1.410 10 0 ADAEHN N[C@H](c1cncc(F)c1)[C@@H]1CCCO1 83712769 573597331 /nfs/dbraw/zinc/59/73/31/573597331.db2.gz VGRVCMGLBKQHCS-VHSXEESVSA-N 0 3 196.225 1.400 10 0 ADAEHN C[C@@H]1CO[C@@H]([C@@H]2CCSC2)N1 258816950 573599178 /nfs/dbraw/zinc/59/91/78/573599178.db2.gz YMUMMCCOJRPGFB-PRJMDXOYSA-N 0 3 173.281 1.074 10 0 ADAEHN Cc1ccc(C)c2c1OC(CN)O2 238457182 573599181 /nfs/dbraw/zinc/59/91/81/573599181.db2.gz XIJUHEFSXOQOBM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/77/65/86/573776586.db2.gz NLGAWWNGLFGYHN-JTQLQIEISA-N 0 3 165.236 1.623 10 0 ADAEHN CC(C)(N)c1nc2c([nH]1)CCCC2 76121734 573776645 /nfs/dbraw/zinc/77/66/45/573776645.db2.gz JLMRBACCDHNLFF-UHFFFAOYSA-N 0 3 179.267 1.482 10 0 ADAEHN Cc1c(F)cc(F)cc1CN 108366752 573776685 /nfs/dbraw/zinc/77/66/85/573776685.db2.gz STXXXWPURRPRGS-UHFFFAOYSA-N 0 3 157.163 1.732 10 0 ADAEHN CNCC(=O)N(C)CCCC(C)C 258935398 573776781 /nfs/dbraw/zinc/77/67/81/573776781.db2.gz ZTHAVPUDANPHLH-UHFFFAOYSA-N 0 3 186.299 1.100 10 0 ADAEHN COc1c(/C=C/C[NH3+])ccc([O-])c1F 258118663 573776873 /nfs/dbraw/zinc/77/68/73/573776873.db2.gz QJTHDFUIEKOFAP-NSCUHMNNSA-N 0 3 197.209 1.512 10 0 ADAEHN Cn1cccc1[C@H]1C=CNC=N1 238512243 573776911 /nfs/dbraw/zinc/77/69/11/573776911.db2.gz WEGANHSMEHXUAR-MRVPVSSYSA-N 0 3 161.208 1.211 10 0 ADAEHN Cc1ccc(CN(C)C)c(N)c1 108367398 573776926 /nfs/dbraw/zinc/77/69/26/573776926.db2.gz GTHWOWXAHXFJEF-UHFFFAOYSA-N 0 3 164.252 1.639 10 0 ADAEHN Cc1c(CN)ncc(C(F)F)c1N 238513360 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/nfs/dbraw/zinc/92/06/89/573920689.db2.gz LGHVIMHNXRJBOQ-QMMMGPOBSA-N 0 3 180.255 1.318 10 0 ADAEHN CCCNCC(=O)Nc1ccncc1 44646769 573920855 /nfs/dbraw/zinc/92/08/55/573920855.db2.gz GPNMIAQXOBWPCF-UHFFFAOYSA-N 0 3 193.250 1.020 10 0 ADAEHN CCCc1cn2c(n1)CCC[C@@H]2N 258521628 573920934 /nfs/dbraw/zinc/92/09/34/573920934.db2.gz RXTGWJUUDGCJRW-SECBINFHSA-N 0 3 179.267 1.629 10 0 ADAEHN CCc1nnc([C@@H](CC)NC)[nH]1 44626588 573921009 /nfs/dbraw/zinc/92/10/09/573921009.db2.gz SRPLLLSCMALVRU-ZCFIWIBFSA-N 0 3 168.244 1.038 10 0 ADAEHN CCc1nnc([C@@H](CC)[NH2+]C)[n-]1 44626588 573921016 /nfs/dbraw/zinc/92/10/16/573921016.db2.gz SRPLLLSCMALVRU-ZCFIWIBFSA-N 0 3 168.244 1.038 10 0 ADAEHN CN1CC[C@H](c2csc(CN)n2)C1 258182469 573922060 /nfs/dbraw/zinc/92/20/60/573922060.db2.gz VFVVBFWSWWTBPZ-ZETCQYMHSA-N 0 3 197.307 1.021 10 0 ADAEHN CCCOC[C@H](NC)c1cccnc1 44653814 573922239 /nfs/dbraw/zinc/92/22/39/573922239.db2.gz YGSRXQFQDOFHRM-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CCc1nnc([C@H](CC)NC)[nH]1 44626590 573922337 /nfs/dbraw/zinc/92/23/37/573922337.db2.gz SRPLLLSCMALVRU-LURJTMIESA-N 0 3 168.244 1.038 10 0 ADAEHN CCc1nnc([C@H](CC)[NH2+]C)[n-]1 44626590 573922343 /nfs/dbraw/zinc/92/23/43/573922343.db2.gz SRPLLLSCMALVRU-LURJTMIESA-N 0 3 168.244 1.038 10 0 ADAEHN CCCOC[C@@H](N)c1cccnc1 44653513 573922397 /nfs/dbraw/zinc/92/23/97/573922397.db2.gz LIDPULAHJRTIII-SNVBAGLBSA-N 0 3 180.251 1.508 10 0 ADAEHN CN1CC[C@H](c2nccs2)C1 259136169 573922477 /nfs/dbraw/zinc/92/24/77/573922477.db2.gz HNUUNQYWXSXLEY-ZETCQYMHSA-N 0 3 168.265 1.562 10 0 ADAEHN Cc1nnc([C@H]2CCCCCN2)[nH]1 80989902 573922557 /nfs/dbraw/zinc/92/25/57/573922557.db2.gz LGHVIMHNXRJBOQ-MRVPVSSYSA-N 0 3 180.255 1.318 10 0 ADAEHN Cc1nnc([C@H]2CCCCC[NH2+]2)[n-]1 80989902 573922564 /nfs/dbraw/zinc/92/25/64/573922564.db2.gz LGHVIMHNXRJBOQ-MRVPVSSYSA-N 0 3 180.255 1.318 10 0 ADAEHN COCCCCN[C@H](C)c1cc[nH]n1 44658128 573922666 /nfs/dbraw/zinc/92/26/66/573922666.db2.gz KSRKZGXLFZBQBO-SECBINFHSA-N 0 3 197.282 1.487 10 0 ADAEHN CCCOC[C@@H](NC)c1cnn(C)c1 44653934 573922677 /nfs/dbraw/zinc/92/26/77/573922677.db2.gz YDIIJTORSUQCJV-SNVBAGLBSA-N 0 3 197.282 1.107 10 0 ADAEHN CN(C)Cc1ccc2c[nH]nc2c1 103303316 573922828 /nfs/dbraw/zinc/92/28/28/573922828.db2.gz KQGWTWXMELHUBC-UHFFFAOYSA-N 0 3 175.235 1.625 10 0 ADAEHN CCOc1ccc(CNCOC)cc1 259012654 573922861 /nfs/dbraw/zinc/92/28/61/573922861.db2.gz GIMNZVWVTAPYNP-UHFFFAOYSA-N 0 3 195.262 1.779 10 0 ADAEHN COc1cc2nn(C)cc2cc1CN 259582657 573922899 /nfs/dbraw/zinc/92/28/99/573922899.db2.gz XRVYVHORRMVZLW-UHFFFAOYSA-N 0 3 191.234 1.041 10 0 ADAEHN CC1=C[C@@H](C)C[C@H](CNC2COC2)C1 235664179 573924292 /nfs/dbraw/zinc/92/42/92/573924292.db2.gz OWTBFLONEURGMI-KOLCDFICSA-N 0 3 195.306 1.967 10 0 ADAEHN COCNCCc1cccc(OC)c1 259010334 573926427 /nfs/dbraw/zinc/92/64/27/573926427.db2.gz GBSDMUKRDWMKJO-UHFFFAOYSA-N 0 3 195.262 1.431 10 0 ADAEHN CC(C)[C@@H]1NCC[C@@H]2CON=C21 238189178 573923518 /nfs/dbraw/zinc/92/35/18/573923518.db2.gz PLAILZDKWJZCPH-SFYZADRCSA-N 0 3 168.240 1.007 10 0 ADAEHN CCc1nnc([C@H]2CCCCCN2)[nH]1 80989905 573923567 /nfs/dbraw/zinc/92/35/67/573923567.db2.gz ABYHXQGVNJVMIB-MRVPVSSYSA-N 0 3 194.282 1.572 10 0 ADAEHN CCc1nnc([C@H]2CCCCC[NH2+]2)[n-]1 80989905 573923568 /nfs/dbraw/zinc/92/35/68/573923568.db2.gz ABYHXQGVNJVMIB-MRVPVSSYSA-N 0 3 194.282 1.572 10 0 ADAEHN CN1CCC(C(C)(F)F)CC1 259012080 573923796 /nfs/dbraw/zinc/92/37/96/573923796.db2.gz OICUWPZVXBHJNW-UHFFFAOYSA-N 0 3 163.211 1.983 10 0 ADAEHN CC(C)[C@@H]1NCC[C@H]2CCCCN21 238189202 573923900 /nfs/dbraw/zinc/92/39/00/573923900.db2.gz YGUAHDVPLPUCAC-GHMZBOCLSA-N 0 3 182.311 1.816 10 0 ADAEHN CCN[C@H]1CCNc2c(O)cccc21 257901401 573923906 /nfs/dbraw/zinc/92/39/06/573923906.db2.gz YTPMDWJURBQEQT-VIFPVBQESA-N 0 3 192.262 1.858 10 0 ADAEHN CCCNCc1nnc(C2CC2)[nH]1 44626618 573923953 /nfs/dbraw/zinc/92/39/53/573923953.db2.gz VVHGYRXJDAICAB-UHFFFAOYSA-N 0 3 180.255 1.182 10 0 ADAEHN CCC[NH2+]Cc1nnc(C2CC2)[n-]1 44626618 573923962 /nfs/dbraw/zinc/92/39/62/573923962.db2.gz VVHGYRXJDAICAB-UHFFFAOYSA-N 0 3 180.255 1.182 10 0 ADAEHN N[C@@H](CO)c1cc(F)cc2ccoc12 258181843 573924135 /nfs/dbraw/zinc/92/41/35/573924135.db2.gz WQGIRCPPGASDHW-VIFPVBQESA-N 0 3 195.193 1.564 10 0 ADAEHN NCc1nnn(C2CCC2)c1C1CC1 257900403 573924142 /nfs/dbraw/zinc/92/41/42/573924142.db2.gz YREDEHXFHDZWLH-UHFFFAOYSA-N 0 3 192.266 1.339 10 0 ADAEHN C[C@@H](O)N1CCCC[C@H]1C 103280508 573924223 /nfs/dbraw/zinc/92/42/23/573924223.db2.gz FSTRZBKYZQFYAQ-HTQZYQBOSA-N 0 3 143.230 1.199 10 0 ADAEHN CCCOC[C@H](N)c1cccnc1 44653510 573924241 /nfs/dbraw/zinc/92/42/41/573924241.db2.gz LIDPULAHJRTIII-JTQLQIEISA-N 0 3 180.251 1.508 10 0 ADAEHN CCN[C@@H]1CCNc2c(O)cccc21 257901399 573924243 /nfs/dbraw/zinc/92/42/43/573924243.db2.gz YTPMDWJURBQEQT-SECBINFHSA-N 0 3 192.262 1.858 10 0 ADAEHN CCc1nn(C)c(Cl)c1C1(N)CC1 215009656 573929970 /nfs/dbraw/zinc/92/99/70/573929970.db2.gz PKUJZLHJMKJBQW-UHFFFAOYSA-N 0 3 199.685 1.584 10 0 ADAEHN CC(C)[C@H]1NCC[C@@H]2CON=C21 238199275 573930125 /nfs/dbraw/zinc/93/01/25/573930125.db2.gz PLAILZDKWJZCPH-HTQZYQBOSA-N 0 3 168.240 1.007 10 0 ADAEHN CCn1nccc1[C@@H](N)[C@H](C)C1CC1 127590099 573930145 /nfs/dbraw/zinc/93/01/45/573930145.db2.gz KSODQESZVVRBHV-KCJUWKMLSA-N 0 3 193.294 1.949 10 0 ADAEHN Cc1cccc(NC(=O)[C@@H](C)N)c1F 84929876 573930227 /nfs/dbraw/zinc/93/02/27/573930227.db2.gz FYHHNCKZKILWAO-SSDOTTSWSA-N 0 3 196.225 1.420 10 0 ADAEHN CC(C)[C@H]1NCC[C@@H]2CCCCN21 238199260 573930229 /nfs/dbraw/zinc/93/02/29/573930229.db2.gz YGUAHDVPLPUCAC-QWRGUYRKSA-N 0 3 182.311 1.816 10 0 ADAEHN Cc1ccc(F)c([C@H](N)CN(C)C)c1 84932653 573930273 /nfs/dbraw/zinc/93/02/73/573930273.db2.gz CCCFCCAQFLLILB-LLVKDONJSA-N 0 3 196.269 1.696 10 0 ADAEHN CCn1nccc1[C@H](N)[C@@H](C)C1CC1 127589480 573930321 /nfs/dbraw/zinc/93/03/21/573930321.db2.gz KSODQESZVVRBHV-GZMMTYOYSA-N 0 3 193.294 1.949 10 0 ADAEHN CC(C)[C@@](N)(O)c1ccccc1C=O 238198540 573930444 /nfs/dbraw/zinc/93/04/44/573930444.db2.gz CJCFLBKEQRBIHY-LLVKDONJSA-N 0 3 193.246 1.259 10 0 ADAEHN COC[C@@]1(C(C)C)CNC[C@H](C)O1 87500235 573932622 /nfs/dbraw/zinc/93/26/22/573932622.db2.gz SGGXGTAHEVGBCM-VHSXEESVSA-N 0 3 187.283 1.036 10 0 ADAEHN Cc1cc(C)c2[nH]c(CN)cc2n1 257905202 573931937 /nfs/dbraw/zinc/93/19/37/573931937.db2.gz PPIHIOAPHSOWFH-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN CCOC[C@@H](NC)c1coc(C)c1 131738359 573931978 /nfs/dbraw/zinc/93/19/78/573931978.db2.gz IINGDZCQVLKEBB-SNVBAGLBSA-N 0 3 183.251 1.885 10 0 ADAEHN C[C@@H](N)c1ccnn1[C@@H]1CCSC1 257905359 573932038 /nfs/dbraw/zinc/93/20/38/573932038.db2.gz ZKAIBVLLBYSJEP-HTQZYQBOSA-N 0 3 197.307 1.581 10 0 ADAEHN COC[C@]1(C(C)C)CNC[C@H](C)O1 87500240 573932084 /nfs/dbraw/zinc/93/20/84/573932084.db2.gz SGGXGTAHEVGBCM-UWVGGRQHSA-N 0 3 187.283 1.036 10 0 ADAEHN COC[C@@]1(C2CC2)CNCC(C)(C)O1 87500270 573932277 /nfs/dbraw/zinc/93/22/77/573932277.db2.gz GYWCGOSNXDGWAF-LLVKDONJSA-N 0 3 199.294 1.180 10 0 ADAEHN CC(C)n1cnc(C2(N)CC2)c1 238197397 573932444 /nfs/dbraw/zinc/93/24/44/573932444.db2.gz YLRVHYHQYKMMCJ-UHFFFAOYSA-N 0 3 165.240 1.412 10 0 ADAEHN CCCC1(CC)CNCNC1 238196848 573932479 /nfs/dbraw/zinc/93/24/79/573932479.db2.gz ZHDUFUIXLCDCSB-UHFFFAOYSA-N 0 3 156.273 1.333 10 0 ADAEHN Cc1ccc([C@H](CCO)N(C)C)o1 259586537 573932547 /nfs/dbraw/zinc/93/25/47/573932547.db2.gz PYLAIWURVHNULK-VIFPVBQESA-N 0 3 183.251 1.573 10 0 ADAEHN OCCCNCc1cnoc1C1CC1 585364175 573933005 /nfs/dbraw/zinc/93/30/05/573933005.db2.gz DFPQEXGJPNAZCM-UHFFFAOYSA-N 0 3 196.250 1.024 10 0 ADAEHN C[C@@H](O)CNCc1cnoc1C1CC1 585364127 573933826 /nfs/dbraw/zinc/93/38/26/573933826.db2.gz AMIUICLUUBLDSY-SSDOTTSWSA-N 0 3 196.250 1.022 10 0 ADAEHN C[C@H](O)CNCc1cnoc1C1CC1 585364128 573933018 /nfs/dbraw/zinc/93/30/18/573933018.db2.gz AMIUICLUUBLDSY-ZETCQYMHSA-N 0 3 196.250 1.022 10 0 ADAEHN CCC(=O)[C@@H](C)N(C)C1CCC1 127625724 573933045 /nfs/dbraw/zinc/93/30/45/573933045.db2.gz OZMIAQHIBDORCE-MRVPVSSYSA-N 0 3 169.268 1.838 10 0 ADAEHN CC(C)=CCNC(=O)[C@@H](N)CC1CC1 308465336 573933046 /nfs/dbraw/zinc/93/30/46/573933046.db2.gz HRIXAENNZFQWHW-JTQLQIEISA-N 0 3 196.294 1.196 10 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LEYJMORFJCRKAJ-UHFFFAOYSA-N 0 3 198.310 1.371 10 0 ADAEHN CCOC[C@H](NC)c1coc(C)c1 131738174 573933489 /nfs/dbraw/zinc/93/34/89/573933489.db2.gz IINGDZCQVLKEBB-JTQLQIEISA-N 0 3 183.251 1.885 10 0 ADAEHN C[C@@]1(c2cccs2)CNCCN1 259017235 573933529 /nfs/dbraw/zinc/93/35/29/573933529.db2.gz IIAZHWABWPWBQE-VIFPVBQESA-N 0 3 182.292 1.156 10 0 ADAEHN CCn1nc(CNC)cc1C(C)C 257905195 573933546 /nfs/dbraw/zinc/93/35/46/573933546.db2.gz PPGXHJPBEFLRSQ-UHFFFAOYSA-N 0 3 181.283 1.746 10 0 ADAEHN COC[C@]1(C2CC2)CN[C@@H](C)[C@H](C)O1 87500290 573933637 /nfs/dbraw/zinc/93/36/37/573933637.db2.gz AHUGWSCXZBUADC-QXEWZRGKSA-N 0 3 199.294 1.178 10 0 ADAEHN COC[C@]1(C2CC2)CNCC(C)(C)O1 87500275 573933684 /nfs/dbraw/zinc/93/36/84/573933684.db2.gz GYWCGOSNXDGWAF-NSHDSACASA-N 0 3 199.294 1.180 10 0 ADAEHN CCN(C)C[C@H](O)CCC(=O)C1CC1 308465520 573933696 /nfs/dbraw/zinc/93/36/96/573933696.db2.gz GCAFOSQXCBKFNV-SNVBAGLBSA-N 0 3 199.294 1.058 10 0 ADAEHN CN(C)Cc1c[nH]c2ccncc12 81165553 573936554 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/nfs/dbraw/zinc/02/15/95/574021595.db2.gz JURILCXFAPGESJ-MRVPVSSYSA-N 0 3 171.265 1.223 10 0 ADAEHN CC[C@@H](CO)[C@H](N)c1cccnc1 259277110 574021622 /nfs/dbraw/zinc/02/16/22/574021622.db2.gz HHORZKCDLJTFBT-WPRPVWTQSA-N 0 3 180.251 1.100 10 0 ADAEHN Nc1cccc(NC2CCOCC2)n1 87725952 574021695 /nfs/dbraw/zinc/02/16/95/574021695.db2.gz RZGBUWCRSJVXAL-UHFFFAOYSA-N 0 3 193.250 1.255 10 0 ADAEHN CN[C@@H](O)c1ccc2nc(C)oc2c1 259278824 574021748 /nfs/dbraw/zinc/02/17/48/574021748.db2.gz IEFFTRDEKDYXTQ-JTQLQIEISA-N 0 3 192.218 1.347 10 0 ADAEHN CN[C@H](CO)c1ccc2cc[nH]c2c1 104516666 574021749 /nfs/dbraw/zinc/02/17/49/574021749.db2.gz BIBKQMDZOJHNCZ-LLVKDONJSA-N 0 3 190.246 1.421 10 0 ADAEHN Nc1cccc(NCC2CC2)n1 87725752 574021755 /nfs/dbraw/zinc/02/17/55/574021755.db2.gz NAUTWSCRAJEGEN-UHFFFAOYSA-N 0 3 163.224 1.486 10 0 ADAEHN Nc1cccc(NC[C@H]2CCCO2)n1 87725832 574021821 /nfs/dbraw/zinc/02/18/21/574021821.db2.gz USCDEJUVSPLJSD-MRVPVSSYSA-N 0 3 193.250 1.255 10 0 ADAEHN CSCCNc1cccc(N)n1 87726368 574021836 /nfs/dbraw/zinc/02/18/36/574021836.db2.gz KUDFMFOCHMTQGR-UHFFFAOYSA-N 0 3 183.280 1.439 10 0 ADAEHN C[C@H]1C[C@H]1Nc1cccc(N)n1 87726319 574021867 /nfs/dbraw/zinc/02/18/67/574021867.db2.gz XBETYZBICVNNPA-NKWVEPMBSA-N 0 3 163.224 1.484 10 0 ADAEHN C[C@@H](Nc1cccc(N)n1)C1CC1 87725909 574021905 /nfs/dbraw/zinc/02/19/05/574021905.db2.gz XZBZCXRKYXCKKB-SSDOTTSWSA-N 0 3 177.251 1.874 10 0 ADAEHN C[C@@](N)(CO)c1ccsc1Cl 104512835 574021923 /nfs/dbraw/zinc/02/19/23/574021923.db2.gz ZZOMKMGHLAMVMI-SSDOTTSWSA-N 0 3 191.683 1.568 10 0 ADAEHN CC[C@@H](C)N(C)c1cccc(N)n1 87726956 574021924 /nfs/dbraw/zinc/02/19/24/574021924.db2.gz FHQYDXMAIJESBH-MRVPVSSYSA-N 0 3 179.267 1.899 10 0 ADAEHN c1cc2c(c(CNC3CC3)c1)NCC2 87723660 574021943 /nfs/dbraw/zinc/02/19/43/574021943.db2.gz KSMHTGVXGFLUPM-UHFFFAOYSA-N 0 3 188.274 1.907 10 0 ADAEHN CC[C@H](C)N(C)c1cccc(N)n1 87726959 574021961 /nfs/dbraw/zinc/02/19/61/574021961.db2.gz FHQYDXMAIJESBH-QMMMGPOBSA-N 0 3 179.267 1.899 10 0 ADAEHN C[C@@H]1CN(c2cccc(N)n2)C[C@H]1C 87731548 574021990 /nfs/dbraw/zinc/02/19/90/574021990.db2.gz BZTPSNLWAJCRGI-RKDXNWHRSA-N 0 3 191.278 1.756 10 0 ADAEHN CCCNc1cccc(N)n1 87725733 574021995 /nfs/dbraw/zinc/02/19/95/574021995.db2.gz ATWAVZWKOXYYSG-UHFFFAOYSA-N 0 3 151.213 1.486 10 0 ADAEHN Nc1cccc(NCC(F)(F)F)n1 87725785 574022030 /nfs/dbraw/zinc/02/20/30/574022030.db2.gz SEJWEAHGKWXFOF-UHFFFAOYSA-N 0 3 191.156 1.638 10 0 ADAEHN CC(C)CN(C)c1cccc(N)n1 87726960 574022084 /nfs/dbraw/zinc/02/20/84/574022084.db2.gz DSHLEBRYCMNOOL-UHFFFAOYSA-N 0 3 179.267 1.756 10 0 ADAEHN C[C@H](CN1CCCC1)NCC(F)F 49164093 574022094 /nfs/dbraw/zinc/02/20/94/574022094.db2.gz QMYAYDFZNFHDFR-MRVPVSSYSA-N 0 3 192.253 1.325 10 0 ADAEHN C[C@H]1C[C@@H]1Nc1cccc(N)n1 87726315 574022145 /nfs/dbraw/zinc/02/21/45/574022145.db2.gz XBETYZBICVNNPA-BQBZGAKWSA-N 0 3 163.224 1.484 10 0 ADAEHN CN[C@@H](O)c1ccc(C)cc1C 259278837 574022216 /nfs/dbraw/zinc/02/22/16/574022216.db2.gz IEKNSOLIUXIUNH-JTQLQIEISA-N 0 3 165.236 1.514 10 0 ADAEHN CN[C@H](N)C1CCCCC1 259279736 574022228 /nfs/dbraw/zinc/02/22/28/574022228.db2.gz HJZHTBVEXYQMSU-QMMMGPOBSA-N 0 3 142.246 1.071 10 0 ADAEHN Nc1cccc(NC[C@@H]2CCCO2)n1 87725830 574022297 /nfs/dbraw/zinc/02/22/97/574022297.db2.gz USCDEJUVSPLJSD-QMMMGPOBSA-N 0 3 193.250 1.255 10 0 ADAEHN CN[C@H](CO)c1ccc2occc2c1 104516684 574022364 /nfs/dbraw/zinc/02/23/64/574022364.db2.gz DTFGTRYQSNNPOD-SNVBAGLBSA-N 0 3 191.230 1.686 10 0 ADAEHN C[C@@H]1C[C@H]1CN(C)c1cccc(N)n1 87731472 574022365 /nfs/dbraw/zinc/02/23/65/574022365.db2.gz BZCFAAMKKSNDMB-BDAKNGLRSA-N 0 3 191.278 1.756 10 0 ADAEHN Cc1ccc([C@H]2NCCN[C@H]2C)o1 259277271 574022418 /nfs/dbraw/zinc/02/24/18/574022418.db2.gz RFNCLLIGNPRVSA-WPRPVWTQSA-N 0 3 180.251 1.210 10 0 ADAEHN CN(c1cccc(N)n1)C1CC1 87726951 574022433 /nfs/dbraw/zinc/02/24/33/574022433.db2.gz XMNLLVAJAQVELI-UHFFFAOYSA-N 0 3 163.224 1.262 10 0 ADAEHN CCC(CC)C[C@@H](NC)c1nc[nH]n1 128154985 574022442 /nfs/dbraw/zinc/02/24/42/574022442.db2.gz DXDSJYCQWZVAOA-SECBINFHSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC(CC)C[C@@H](NC)c1nnc[nH]1 128154985 574022446 /nfs/dbraw/zinc/02/24/46/574022446.db2.gz DXDSJYCQWZVAOA-SECBINFHSA-N 0 3 196.298 1.892 10 0 ADAEHN COc1cc([C@@H](C)[NH3+])c(F)cc1[O-] 104509836 574022473 /nfs/dbraw/zinc/02/24/73/574022473.db2.gz PFKNORVQHBMVPT-RXMQYKEDSA-N 0 3 185.198 1.560 10 0 ADAEHN CN[C@@H](N)C1CCCCC1 259279734 574022522 /nfs/dbraw/zinc/02/25/22/574022522.db2.gz HJZHTBVEXYQMSU-MRVPVSSYSA-N 0 3 142.246 1.071 10 0 ADAEHN CC[C@@H](N)c1ccc(N)cn1 104513411 574022541 /nfs/dbraw/zinc/02/25/41/574022541.db2.gz WAEDYGPIEBVVRU-SSDOTTSWSA-N 0 3 151.213 1.074 10 0 ADAEHN CC(C)(C)Nc1cccc(N)n1 87726741 574022542 /nfs/dbraw/zinc/02/25/42/574022542.db2.gz XEGCMOTUFPDJFS-UHFFFAOYSA-N 0 3 165.240 1.874 10 0 ADAEHN CN(CC1CC1)c1cccc(N)n1 87727073 574022568 /nfs/dbraw/zinc/02/25/68/574022568.db2.gz CTIGIJZDJHINLQ-UHFFFAOYSA-N 0 3 177.251 1.510 10 0 ADAEHN CC(C)Nc1cccc(N)n1 87725735 574022588 /nfs/dbraw/zinc/02/25/88/574022588.db2.gz AIKKEQMMUJBCNY-UHFFFAOYSA-N 0 3 151.213 1.484 10 0 ADAEHN CCC(CC)C[C@@H](N)c1nc[nH]n1 128154118 574022626 /nfs/dbraw/zinc/02/26/26/574022626.db2.gz XUNVKANJXZMIGL-MRVPVSSYSA-N 0 3 182.271 1.631 10 0 ADAEHN CCC(CC)C[C@@H](N)c1nnc[nH]1 128154118 574022629 /nfs/dbraw/zinc/02/26/29/574022629.db2.gz XUNVKANJXZMIGL-MRVPVSSYSA-N 0 3 182.271 1.631 10 0 ADAEHN CC[C@](C)(O)CNc1cccc(N)n1 87726497 574022646 /nfs/dbraw/zinc/02/26/46/574022646.db2.gz OJOLWHJDWQOWTL-JTQLQIEISA-N 0 3 195.266 1.237 10 0 ADAEHN Nc1cccc(NCCC2CC2)n1 87726618 574022716 /nfs/dbraw/zinc/02/27/16/574022716.db2.gz BKHKGJQIKKBFBI-UHFFFAOYSA-N 0 3 177.251 1.876 10 0 ADAEHN Cc1cc([C@@H]2CNCCN2)cs1 104510992 574022744 /nfs/dbraw/zinc/02/27/44/574022744.db2.gz KNRPLJZVVVQYLS-VIFPVBQESA-N 0 3 182.292 1.290 10 0 ADAEHN C[C@@H]1C[C@@H]1CN(C)c1cccc(N)n1 87731469 574022749 /nfs/dbraw/zinc/02/27/49/574022749.db2.gz BZCFAAMKKSNDMB-RKDXNWHRSA-N 0 3 191.278 1.756 10 0 ADAEHN COC[C@H](C)Nc1cccc(N)n1 87725764 574022789 /nfs/dbraw/zinc/02/27/89/574022789.db2.gz NJGNUQFMXOGQIM-ZETCQYMHSA-N 0 3 181.239 1.111 10 0 ADAEHN C[C@@H]1CCCN1c1cccc(N)n1 87727070 574022819 /nfs/dbraw/zinc/02/28/19/574022819.db2.gz NKDRBDBWQNSQMX-MRVPVSSYSA-N 0 3 177.251 1.653 10 0 ADAEHN Cc1ccc([C@H]2NCCN[C@@H]2C)o1 259277266 574022830 /nfs/dbraw/zinc/02/28/30/574022830.db2.gz RFNCLLIGNPRVSA-SCZZXKLOSA-N 0 3 180.251 1.210 10 0 ADAEHN CCN(c1cccc(N)n1)C1CC1 87726942 574022842 /nfs/dbraw/zinc/02/28/42/574022842.db2.gz IWMXECZTVCLOQN-UHFFFAOYSA-N 0 3 177.251 1.653 10 0 ADAEHN Nc1cccc(NCc2ccco2)n1 87725738 574022879 /nfs/dbraw/zinc/02/28/79/574022879.db2.gz NOLYGPADRYBEEX-UHFFFAOYSA-N 0 3 189.218 1.869 10 0 ADAEHN CC[C@@H](N)c1cc(N)ccn1 104512890 574022880 /nfs/dbraw/zinc/02/28/80/574022880.db2.gz RTCNIXOJNGWCDN-SSDOTTSWSA-N 0 3 151.213 1.074 10 0 ADAEHN C[C@@H]1C[C@@H]1Nc1cccc(N)n1 87726313 574022887 /nfs/dbraw/zinc/02/28/87/574022887.db2.gz XBETYZBICVNNPA-RQJHMYQMSA-N 0 3 163.224 1.484 10 0 ADAEHN CC(C)N(C)c1cccc(N)n1 87726805 574022921 /nfs/dbraw/zinc/02/29/21/574022921.db2.gz MTZGEWWRUYMYRA-UHFFFAOYSA-N 0 3 165.240 1.508 10 0 ADAEHN Cc1ccc([C@@H]2NCCN[C@H]2C)o1 259277269 574022940 /nfs/dbraw/zinc/02/29/40/574022940.db2.gz RFNCLLIGNPRVSA-WCBMZHEXSA-N 0 3 180.251 1.210 10 0 ADAEHN C[C@@H]1C[C@H]1Nc1cccc(N)n1 87726317 574022945 /nfs/dbraw/zinc/02/29/45/574022945.db2.gz XBETYZBICVNNPA-RNFRBKRXSA-N 0 3 163.224 1.484 10 0 ADAEHN C[C@@H](CN1CCCC1)NCC(F)F 49164090 574022997 /nfs/dbraw/zinc/02/29/97/574022997.db2.gz QMYAYDFZNFHDFR-QMMMGPOBSA-N 0 3 192.253 1.325 10 0 ADAEHN CC[C@@H](CO)[C@@H](N)c1cccnc1 259277109 574022203 /nfs/dbraw/zinc/02/22/03/574022203.db2.gz HHORZKCDLJTFBT-WCBMZHEXSA-N 0 3 180.251 1.100 10 0 ADAEHN C[C@@H](N)c1c(F)cc2c(c1F)OCC2 104518433 574024888 /nfs/dbraw/zinc/02/48/88/574024888.db2.gz UYCDLQOFQFEWBB-RXMQYKEDSA-N 0 3 199.200 1.919 10 0 ADAEHN CC[C@@H](N)c1cccc(F)n1 104520724 574024895 /nfs/dbraw/zinc/02/48/95/574024895.db2.gz XUYFMMQPJMBCMW-ZCFIWIBFSA-N 0 3 154.188 1.631 10 0 ADAEHN COc1ccc([C@@H](C)N)c(OC)c1O 104518105 574024983 /nfs/dbraw/zinc/02/49/83/574024983.db2.gz CPAQXCJJKPVEAM-ZCFIWIBFSA-N 0 3 197.234 1.429 10 0 ADAEHN C[C@@H](N)c1ccc(N(C)C)o1 104518385 574024990 /nfs/dbraw/zinc/02/49/90/574024990.db2.gz CKIOKQBRUIJMON-ZCFIWIBFSA-N 0 3 154.213 1.365 10 0 ADAEHN CN[C@H](C)c1cc(O)cc(O)c1 104523113 574025012 /nfs/dbraw/zinc/02/50/12/574025012.db2.gz NADUNMRSIZBZKU-ZCFIWIBFSA-N 0 3 167.208 1.378 10 0 ADAEHN CN[C@H](CO)c1c(C)cccc1Cl 104517341 574025023 /nfs/dbraw/zinc/02/50/23/574025023.db2.gz CCWGQOXLUJQILI-SECBINFHSA-N 0 3 199.681 1.901 10 0 ADAEHN Cc1nc([C@H](N)C2CC2)ccc1F 104523636 574025052 /nfs/dbraw/zinc/02/50/52/574025052.db2.gz WXUMSHPENCWNOB-SNVBAGLBSA-N 0 3 180.226 1.939 10 0 ADAEHN CN[C@H](CO)c1cccc(F)c1C 104524118 574025069 /nfs/dbraw/zinc/02/50/69/574025069.db2.gz RMTZIFKZGXSLGO-SNVBAGLBSA-N 0 3 183.226 1.387 10 0 ADAEHN CC(C)[C@@H](CN(C)C)NCC(F)F 49204074 574025074 /nfs/dbraw/zinc/02/50/74/574025074.db2.gz YUXIHZHRQYJYHE-MRVPVSSYSA-N 0 3 194.269 1.427 10 0 ADAEHN C[C@@H](N)c1cccn1-c1ccccn1 104523782 574025076 /nfs/dbraw/zinc/02/50/76/574025076.db2.gz UGLZMCHFYNYWAP-SECBINFHSA-N 0 3 187.246 1.892 10 0 ADAEHN CN1CCc2ccccc2[C@@H](O)C1 104521089 574025090 /nfs/dbraw/zinc/02/50/90/574025090.db2.gz LEKOUUOPDBURLY-NSHDSACASA-N 0 3 177.247 1.208 10 0 ADAEHN C[C@@H](N)c1ccc(N2CCCC2)o1 104518390 574025094 /nfs/dbraw/zinc/02/50/94/574025094.db2.gz MJLGMRKORKCBLP-MRVPVSSYSA-N 0 3 180.251 1.900 10 0 ADAEHN Cc1nc([C@@H](C)N)ccc1F 104520697 574025106 /nfs/dbraw/zinc/02/51/06/574025106.db2.gz WTOBWOPLMOIGLW-RXMQYKEDSA-N 0 3 154.188 1.549 10 0 ADAEHN CN[C@H](CO)c1ccc(Cl)cc1C 104518037 574025140 /nfs/dbraw/zinc/02/51/40/574025140.db2.gz KVXACDITZKMVBO-SNVBAGLBSA-N 0 3 199.681 1.901 10 0 ADAEHN CC(C)[C@H](CN(C)C)NCC(F)F 49204077 574025167 /nfs/dbraw/zinc/02/51/67/574025167.db2.gz YUXIHZHRQYJYHE-QMMMGPOBSA-N 0 3 194.269 1.427 10 0 ADAEHN CN[C@H](C)c1cccnc1F 104518009 574025231 /nfs/dbraw/zinc/02/52/31/574025231.db2.gz DUKWCWSGAFIRBR-ZCFIWIBFSA-N 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CC(C)CCNCc1cnccn1 54765461 1169097367 /nfs/dbraw/zinc/09/73/67/1169097367.db2.gz NVEPSBIPDMAYHJ-UHFFFAOYSA-N 0 3 179.267 1.612 10 0 ADAEHN CN1CC[C@@H](Oc2ccncc2)C1 60313557 1169098548 /nfs/dbraw/zinc/09/85/48/1169098548.db2.gz PQWHBQIZAUHVKE-SNVBAGLBSA-N 0 3 178.235 1.165 10 0 ADAEHN CC(=O)CN(C)CC1CCC1 61480373 1169100008 /nfs/dbraw/zinc/10/00/08/1169100008.db2.gz VCIJNEHZEOYRCI-UHFFFAOYSA-N 0 3 155.241 1.307 10 0 ADAEHN CC(C)Cc1nnc([C@H]2CCCN2)o1 83280484 1169113329 /nfs/dbraw/zinc/11/33/29/1169113329.db2.gz YDGVMKZMBFICMA-MRVPVSSYSA-N 0 3 195.266 1.693 10 0 ADAEHN CC(C)Cc1nnc([C@@H]2CCCN2)o1 83280483 1169114275 /nfs/dbraw/zinc/11/42/75/1169114275.db2.gz YDGVMKZMBFICMA-QMMMGPOBSA-N 0 3 195.266 1.693 10 0 ADAEHN C[C@H](O)CNCc1ccc(O)cc1F 83343146 1169114609 /nfs/dbraw/zinc/11/46/09/1169114609.db2.gz DWXMTFWNGICENQ-ZETCQYMHSA-N 0 3 199.225 1.002 10 0 ADAEHN COC(=O)/C(C)=C/CN1CCCCC1 84002180 1169115863 /nfs/dbraw/zinc/11/58/63/1169115863.db2.gz XQGMVZKMFNZEGK-UXBLZVDNSA-N 0 3 197.278 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/nfs/dbraw/zinc/51/68/15/1169516815.db2.gz DNRNTLVOSJFHKH-UHFFFAOYSA-N 0 3 177.251 1.381 10 0 ADAEHN CC1(C)CC(NCc2cnccn2)C1 307368746 1169518133 /nfs/dbraw/zinc/51/81/33/1169518133.db2.gz QGOOZJWLBRZKNT-UHFFFAOYSA-N 0 3 191.278 1.755 10 0 ADAEHN C[C@H]1CCC[C@@H](CN2CC(C)(O)C2)C1 307483158 1169523138 /nfs/dbraw/zinc/52/31/38/1169523138.db2.gz HLIKXIYIYGRBHM-WDEREUQCSA-N 0 3 197.322 1.879 10 0 ADAEHN C[C@@H]1CCC[C@@H](CN2CC(C)(O)C2)C1 307483142 1169523457 /nfs/dbraw/zinc/52/34/57/1169523457.db2.gz HLIKXIYIYGRBHM-GHMZBOCLSA-N 0 3 197.322 1.879 10 0 ADAEHN C[C@@H]1CCC[C@H](CN2CC(C)(O)C2)C1 307483147 1169523645 /nfs/dbraw/zinc/52/36/45/1169523645.db2.gz HLIKXIYIYGRBHM-MNOVXSKESA-N 0 3 197.322 1.879 10 0 ADAEHN C[C@H]1CCC[C@H](CN2CC(C)(O)C2)C1 307483153 1169524017 /nfs/dbraw/zinc/52/40/17/1169524017.db2.gz HLIKXIYIYGRBHM-QWRGUYRKSA-N 0 3 197.322 1.879 10 0 ADAEHN CN1CC(CNc2cccc(F)n2)C1 307477081 1169524519 /nfs/dbraw/zinc/52/45/19/1169524519.db2.gz LTVFQDFJRZMFIU-UHFFFAOYSA-N 0 3 195.241 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C[C@H]1CNC[C@@](C)(c2cccs2)O1 32009578 571963302 /nfs/dbraw/zinc/96/33/02/571963302.db2.gz OQJNQTLIDQEEPC-WPRPVWTQSA-N 0 3 197.303 1.972 10 0 ADAEHN C[C@@H]1CNC[C@@](C)(c2cccs2)O1 32009577 571963341 /nfs/dbraw/zinc/96/33/41/571963341.db2.gz OQJNQTLIDQEEPC-SCZZXKLOSA-N 0 3 197.303 1.972 10 0 ADAEHN Cc1ccc([S@@](=O)CCN)c(C)c1 40954736 571963467 /nfs/dbraw/zinc/96/34/67/571963467.db2.gz UPENHMWBDSUBOK-CYBMUJFWSA-N 0 3 197.303 1.370 10 0 ADAEHN C[C@H]1CNC[C@H](c2cccnc2)O1 32007176 571963507 /nfs/dbraw/zinc/96/35/07/571963507.db2.gz REXHEDIOJMZXJC-WCBMZHEXSA-N 0 3 178.235 1.131 10 0 ADAEHN CO[C@H]1CCN(CCCCC(C)=O)C1 234798136 571963661 /nfs/dbraw/zinc/96/36/61/571963661.db2.gz PDJCMCVQOGAOBZ-NSHDSACASA-N 0 3 199.294 1.466 10 0 ADAEHN Cc1cccc([S@](=O)CCN)c1 40954966 571963687 /nfs/dbraw/zinc/96/36/87/571963687.db2.gz DPWCMMDLFSALLT-LBPRGKRZSA-N 0 3 183.276 1.061 10 0 ADAEHN CO[C@H]1CCN(CCCC(C)=O)C1 234797308 571963694 /nfs/dbraw/zinc/96/36/94/571963694.db2.gz WQLBIUVCYOPVDC-JTQLQIEISA-N 0 3 185.267 1.076 10 0 ADAEHN Cc1cccnc1NC(=O)C(C)(C)N 40920383 571964180 /nfs/dbraw/zinc/96/41/80/571964180.db2.gz PURHDRZCQXREMY-UHFFFAOYSA-N 0 3 193.250 1.066 10 0 ADAEHN CCn1nncc1[C@H](CC(C)C)NC 300823272 571964353 /nfs/dbraw/zinc/96/43/53/571964353.db2.gz HGOJGMLKYWWWJA-VIFPVBQESA-N 0 3 196.298 1.605 10 0 ADAEHN COC1(C(C)=O)CCN(C2CC2)CC1 687690614 571964505 /nfs/dbraw/zinc/96/45/05/571964505.db2.gz OMJFPQLQKKRFTE-UHFFFAOYSA-N 0 3 197.278 1.219 10 0 ADAEHN CCN(c1ccnc(CO)c1)C(C)C 40877182 571964519 /nfs/dbraw/zinc/96/45/19/571964519.db2.gz QXBKLYNRAYJNBL-UHFFFAOYSA-N 0 3 194.278 1.809 10 0 ADAEHN CC(C)NCc1cncnc1N(C)C 300823865 571964602 /nfs/dbraw/zinc/96/46/02/571964602.db2.gz DMCSOUSNMGZRTJ-UHFFFAOYSA-N 0 3 194.282 1.041 10 0 ADAEHN CSC[C@@H](C)[C@@H](N)c1ccn(C)n1 300824242 571964692 /nfs/dbraw/zinc/96/46/92/571964692.db2.gz GREUAJUQOSHORH-VXNVDRBHSA-N 0 3 199.323 1.419 10 0 ADAEHN Cc1cccc([S@@](=O)CCN)c1 40954964 571964759 /nfs/dbraw/zinc/96/47/59/571964759.db2.gz DPWCMMDLFSALLT-GFCCVEGCSA-N 0 3 183.276 1.061 10 0 ADAEHN CCN(C)c1ccnc(CO)c1 40877148 571964776 /nfs/dbraw/zinc/96/47/76/571964776.db2.gz BSHITSMKGACKQQ-UHFFFAOYSA-N 0 3 166.224 1.030 10 0 ADAEHN Cn1nncc1[C@@H](N)CCC(C)(C)C 300822315 571964813 /nfs/dbraw/zinc/96/48/13/571964813.db2.gz HERWVXDPAGRSPR-QMMMGPOBSA-N 0 3 196.298 1.641 10 0 ADAEHN CCn1nncc1[C@@H](CC(C)C)NC 300823271 571964860 /nfs/dbraw/zinc/96/48/60/571964860.db2.gz HGOJGMLKYWWWJA-SECBINFHSA-N 0 3 196.298 1.605 10 0 ADAEHN C[C@H](O)CCCNc1ccncc1 235535119 571964956 /nfs/dbraw/zinc/96/49/56/571964956.db2.gz GTBVUPFZFDMEKH-VIFPVBQESA-N 0 3 180.251 1.655 10 0 ADAEHN CC(=O)CCCCN(C)CCCO 300824493 571965024 /nfs/dbraw/zinc/96/50/24/571965024.db2.gz NKGWMBCLOZVXMU-UHFFFAOYSA-N 0 3 187.283 1.060 10 0 ADAEHN Cn1nncc1[C@H](N)CCC(C)(C)C 300822314 571965073 /nfs/dbraw/zinc/96/50/73/571965073.db2.gz HERWVXDPAGRSPR-MRVPVSSYSA-N 0 3 196.298 1.641 10 0 ADAEHN C[C@H](O)C[C@H](C)NC/C=C/Cl 235533816 571965162 /nfs/dbraw/zinc/96/51/62/571965162.db2.gz LHAYBAADEKUBIA-HENSLRDNSA-N 0 3 177.675 1.488 10 0 ADAEHN CCCNc1ncncc1CNCC 300822830 571965186 /nfs/dbraw/zinc/96/51/86/571965186.db2.gz DKNZNKFWLRLZLN-UHFFFAOYSA-N 0 3 194.282 1.408 10 0 ADAEHN CCC[C@@H](NC)c1cc(C)n(C)n1 300823867 571965218 /nfs/dbraw/zinc/96/52/18/571965218.db2.gz DMDQKMGQMJJRRU-SECBINFHSA-N 0 3 181.283 1.789 10 0 ADAEHN CSC[C@H](C)[C@@H](N)c1ccn(C)n1 300824240 571965236 /nfs/dbraw/zinc/96/52/36/571965236.db2.gz GREUAJUQOSHORH-IONNQARKSA-N 0 3 199.323 1.419 10 0 ADAEHN C[C@H](C1CC1)n1cc(CN)cn1 40931914 571965269 /nfs/dbraw/zinc/96/52/69/571965269.db2.gz KTWKVEPZVPEPAM-SSDOTTSWSA-N 0 3 165.240 1.313 10 0 ADAEHN CC[C@H]1CCCN1C(=O)C(C)(C)N 40924257 571965293 /nfs/dbraw/zinc/96/52/93/571965293.db2.gz NQDULYXDEWBHNU-QMMMGPOBSA-N 0 3 184.283 1.125 10 0 ADAEHN Cc1ccc([S@](=O)CCN)c(C)c1 40954738 571965389 /nfs/dbraw/zinc/96/53/89/571965389.db2.gz UPENHMWBDSUBOK-ZDUSSCGKSA-N 0 3 197.303 1.370 10 0 ADAEHN CNCc1[nH]c(C(C)C)nc1Cl 219290450 571965653 /nfs/dbraw/zinc/96/56/53/571965653.db2.gz JSSSYHSDTYNMNN-UHFFFAOYSA-N 0 3 187.674 1.906 10 0 ADAEHN CCCc1cc2cc(CN)ncn2c1 219307303 571966068 /nfs/dbraw/zinc/96/60/68/571966068.db2.gz IHJXCVCKAQWBSW-UHFFFAOYSA-N 0 3 189.262 1.746 10 0 ADAEHN CC[C@H](C)NCc1cnco1 41050822 571966189 /nfs/dbraw/zinc/96/61/89/571966189.db2.gz QIICJHJTUKLFHP-ZETCQYMHSA-N 0 3 154.213 1.563 10 0 ADAEHN CCc1nc(Cl)c(CNC)n1C 219290373 571966191 /nfs/dbraw/zinc/96/61/91/571966191.db2.gz YEHGZKSWXPLBFF-UHFFFAOYSA-N 0 3 187.674 1.355 10 0 ADAEHN Cc1n[nH]c(CN)c1-c1ccncc1 219297570 571966335 /nfs/dbraw/zinc/96/63/35/571966335.db2.gz MJOSHQXFCVERHY-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN CCc1nnc(C2(N)CCCCC2)[nH]1 41032841 571966397 /nfs/dbraw/zinc/96/63/97/571966397.db2.gz BZSIMVWAKBACFY-UHFFFAOYSA-N 0 3 194.282 1.485 10 0 ADAEHN CCCNCc1csc(N)n1 41052019 571966446 /nfs/dbraw/zinc/96/64/46/571966446.db2.gz BUHRRVLCNDIZLQ-UHFFFAOYSA-N 0 3 171.269 1.225 10 0 ADAEHN C[C@H](Nc1ncc[nH]1)C1CC1 235537569 571966479 /nfs/dbraw/zinc/96/64/79/571966479.db2.gz HCLHLRIETTYXGE-LURJTMIESA-N 0 3 151.213 1.620 10 0 ADAEHN CCSCCCn1cncc1CN 300827353 571966586 /nfs/dbraw/zinc/96/65/86/571966586.db2.gz BSBJHNWUBKLTGE-UHFFFAOYSA-N 0 3 199.323 1.485 10 0 ADAEHN C[C@H](Nc1ncc[nH]1)[C@H]1CCCO1 235537691 571966670 /nfs/dbraw/zinc/96/66/70/571966670.db2.gz DPLYWVIRBREEBH-JGVFFNPUSA-N 0 3 181.239 1.389 10 0 ADAEHN CC(C)CNCc1cnco1 41050808 571966718 /nfs/dbraw/zinc/96/67/18/571966718.db2.gz LIDTVVSAFPRLLS-UHFFFAOYSA-N 0 3 154.213 1.420 10 0 ADAEHN C[C@H](Nc1ncc[nH]1)[C@@H]1CCCO1 235537648 571966763 /nfs/dbraw/zinc/96/67/63/571966763.db2.gz DPLYWVIRBREEBH-YUMQZZPRSA-N 0 3 181.239 1.389 10 0 ADAEHN C[C@H](Nc1ncc[nH]1)[C@H]1CCOC1 235537708 571966903 /nfs/dbraw/zinc/96/69/03/571966903.db2.gz UMICEKBQFJYLRE-YUMQZZPRSA-N 0 3 181.239 1.247 10 0 ADAEHN CCc1nc(N)[nH]c1Br 219310684 571967064 /nfs/dbraw/zinc/96/70/64/571967064.db2.gz KWNOFIDUKIEZPF-UHFFFAOYSA-N 0 3 190.044 1.317 10 0 ADAEHN c1cc(CNCC2CC2)on1 41050758 571967109 /nfs/dbraw/zinc/96/71/09/571967109.db2.gz XDIDUZLKXPOUOX-UHFFFAOYSA-N 0 3 152.197 1.174 10 0 ADAEHN Cn1cnc(CN)c1-c1ccccc1 219289034 571967119 /nfs/dbraw/zinc/96/71/19/571967119.db2.gz VQHNLGAUFGZIMT-UHFFFAOYSA-N 0 3 187.246 1.546 10 0 ADAEHN C[C@H](Nc1ncc[nH]1)[C@@H]1CCOC1 235537660 571967193 /nfs/dbraw/zinc/96/71/93/571967193.db2.gz UMICEKBQFJYLRE-JGVFFNPUSA-N 0 3 181.239 1.247 10 0 ADAEHN CC(C)(C)C[C@H](N)c1csnn1 713166816 571967221 /nfs/dbraw/zinc/96/72/21/571967221.db2.gz GBVIDVYEGWJHFT-LURJTMIESA-N 0 3 185.296 1.974 10 0 ADAEHN CCCn1ncnc1[C@@](C)(N)CC 687692750 571967462 /nfs/dbraw/zinc/96/74/62/571967462.db2.gz RVABAXLKTFULSQ-VIFPVBQESA-N 0 3 182.271 1.272 10 0 ADAEHN NCC1NC(c2cccs2)=CS1 526285949 571967483 /nfs/dbraw/zinc/96/74/83/571967483.db2.gz BEMJZJAHKJAVKT-UHFFFAOYSA-N 0 3 197.308 1.831 10 0 ADAEHN COc1cnn(C)c1C1(N)CCCC1 687692742 571967581 /nfs/dbraw/zinc/96/75/81/571967581.db2.gz QOHCXELBSDCZDT-UHFFFAOYSA-N 0 3 195.266 1.157 10 0 ADAEHN NCc1cncc(NC2CCCC2)n1 401632982 571967652 /nfs/dbraw/zinc/96/76/52/571967652.db2.gz XBIGRWNREMZALB-UHFFFAOYSA-N 0 3 192.266 1.290 10 0 ADAEHN CCCn1ccnc1[C@@](C)(N)CC 687692323 571967779 /nfs/dbraw/zinc/96/77/79/571967779.db2.gz ZMHVHISWDRYUQS-JTQLQIEISA-N 0 3 181.283 1.877 10 0 ADAEHN COc1cnn(C)c1[C@](C)(N)C(C)C 687692708 571967906 /nfs/dbraw/zinc/96/79/06/571967906.db2.gz OLYSCMMETXICLK-SNVBAGLBSA-N 0 3 197.282 1.259 10 0 ADAEHN CCCn1ncnc1[C@](C)(N)C(C)C 687692635 571967965 /nfs/dbraw/zinc/96/79/65/571967965.db2.gz FUDMCNXOCKOMKS-SNVBAGLBSA-N 0 3 196.298 1.518 10 0 ADAEHN CCCn1nccc1[C@](C)(N)COC 687692161 571968001 /nfs/dbraw/zinc/96/80/01/571968001.db2.gz IPTAZJIRGRXDKD-SNVBAGLBSA-N 0 3 197.282 1.113 10 0 ADAEHN NCc1ncsc1-c1ccncc1 219327643 571968012 /nfs/dbraw/zinc/96/80/12/571968012.db2.gz AULMRGHGBZNYSX-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN c1ncc(CNCC2CC2)o1 41050819 571968344 /nfs/dbraw/zinc/96/83/44/571968344.db2.gz ZIUOVCREDRUGNS-UHFFFAOYSA-N 0 3 152.197 1.174 10 0 ADAEHN CCCn1ncnc1[C@](C)(N)CC 687692749 571968245 /nfs/dbraw/zinc/96/82/45/571968245.db2.gz RVABAXLKTFULSQ-SECBINFHSA-N 0 3 182.271 1.272 10 0 ADAEHN Cc1nnc(C2(N)CCC(C)CC2)[nH]1 41033464 571968292 /nfs/dbraw/zinc/96/82/92/571968292.db2.gz IRFORSZKDBJERU-UHFFFAOYSA-N 0 3 194.282 1.477 10 0 ADAEHN CCn1ncc(Cl)c1C(C)(C)N 687692246 571968302 /nfs/dbraw/zinc/96/83/02/571968302.db2.gz QMNXCZMQRSHUHJ-UHFFFAOYSA-N 0 3 187.674 1.750 10 0 ADAEHN CCCn1nccc1[C@@](C)(N)COC 687692160 571968416 /nfs/dbraw/zinc/96/84/16/571968416.db2.gz IPTAZJIRGRXDKD-JTQLQIEISA-N 0 3 197.282 1.113 10 0 ADAEHN CC[C@@](C)(N)c1c(OC)cnn1C 687692674 571968605 /nfs/dbraw/zinc/96/86/05/571968605.db2.gz LGISMQSGCSZMCF-SECBINFHSA-N 0 3 183.255 1.013 10 0 ADAEHN CC[C@H](C)NCc1ccno1 41042003 571968690 /nfs/dbraw/zinc/96/86/90/571968690.db2.gz TYPQPCMGBITNKN-ZETCQYMHSA-N 0 3 154.213 1.563 10 0 ADAEHN CC[C@@H](C)NCc1cnco1 41050821 571968713 /nfs/dbraw/zinc/96/87/13/571968713.db2.gz QIICJHJTUKLFHP-SSDOTTSWSA-N 0 3 154.213 1.563 10 0 ADAEHN CCCn1ncnc1C1(N)CCCC1 687692661 571968870 /nfs/dbraw/zinc/96/88/70/571968870.db2.gz JAWXMVOSTWVRLE-UHFFFAOYSA-N 0 3 194.282 1.416 10 0 ADAEHN CCC(N)(CC)c1c(OC)cnn1C 687692670 571968725 /nfs/dbraw/zinc/96/87/25/571968725.db2.gz KRPMANMENYGEOH-UHFFFAOYSA-N 0 3 197.282 1.403 10 0 ADAEHN CCCn1nncc1[C@@](C)(N)C(C)C 687692613 571968879 /nfs/dbraw/zinc/96/88/79/571968879.db2.gz CIVGDKIKMSPHOR-JTQLQIEISA-N 0 3 196.298 1.518 10 0 ADAEHN COC[C@@](C)(N)c1ccnn1C(C)C 687692647 571968888 /nfs/dbraw/zinc/96/88/88/571968888.db2.gz HSRLNOHZEDCOPW-SNVBAGLBSA-N 0 3 197.282 1.284 10 0 ADAEHN CCc1nc(C(C)C)ncc1CNC 300825613 571968966 /nfs/dbraw/zinc/96/89/66/571968966.db2.gz GQDBKTFTYOGPSE-UHFFFAOYSA-N 0 3 193.294 1.882 10 0 ADAEHN COc1cnn(C)c1[C@@](C)(N)C(C)C 687692707 571968982 /nfs/dbraw/zinc/96/89/82/571968982.db2.gz OLYSCMMETXICLK-JTQLQIEISA-N 0 3 197.282 1.259 10 0 ADAEHN CCCn1nncc1[C@](C)(N)C(C)C 687692614 571970109 /nfs/dbraw/zinc/97/01/09/571970109.db2.gz CIVGDKIKMSPHOR-SNVBAGLBSA-N 0 3 196.298 1.518 10 0 ADAEHN 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CC[C@@H](C)NC1=N[C@H](C)CS1 35287126 572150092 /nfs/dbraw/zinc/15/00/92/572150092.db2.gz VDBOKRDXSPBGLJ-RNFRBKRXSA-N 0 3 172.297 1.866 10 0 ADAEHN CSCC[C@H](O)c1cnccc1N 69844311 572150126 /nfs/dbraw/zinc/15/01/26/572150126.db2.gz TWHHKOPVOYKIBV-VIFPVBQESA-N 0 3 198.291 1.450 10 0 ADAEHN CCCOC[C@@H](O)c1cnccc1N 69844798 572150131 /nfs/dbraw/zinc/15/01/31/572150131.db2.gz XUGSNPDVYCZXLO-SNVBAGLBSA-N 0 3 196.250 1.124 10 0 ADAEHN Cc1ccc(-n2cc(C)nc2N)cn1 235876111 572150138 /nfs/dbraw/zinc/15/01/38/572150138.db2.gz SAJVXOOWHCHGEP-UHFFFAOYSA-N 0 3 188.234 1.466 10 0 ADAEHN CC[C@H](C)NC(=O)[C@@](C)(N)C1CC1 37478711 572150165 /nfs/dbraw/zinc/15/01/65/572150165.db2.gz ASTVZCRACXFPRT-XVKPBYJWSA-N 0 3 184.283 1.029 10 0 ADAEHN CCCNCc1cnccc1N 69845815 572150181 /nfs/dbraw/zinc/15/01/81/572150181.db2.gz INPNOBRVZZVGPM-UHFFFAOYSA-N 0 3 165.240 1.163 10 0 ADAEHN Nc1ncccc1[C@H](N)c1ccccc1 69845040 572150236 /nfs/dbraw/zinc/15/02/36/572150236.db2.gz MMNDPXGBTAEFCN-LLVKDONJSA-N 0 3 199.257 1.712 10 0 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MNTVPHACTNXUND-LLVKDONJSA-N 0 3 198.310 1.420 10 0 ADAEHN CCC[C@@H]1C[C@@H]1NCC(OC)OC 300387647 572150598 /nfs/dbraw/zinc/15/05/98/572150598.db2.gz PPFZYQDWLFMLQO-BDAKNGLRSA-N 0 3 187.283 1.384 10 0 ADAEHN CC[C@@H]1C[C@@H]1N[C@H](C)c1cc[nH]n1 300385920 572150603 /nfs/dbraw/zinc/15/06/03/572150603.db2.gz ODBBLWVGGMHLPR-MRTMQBJTSA-N 0 3 179.267 1.859 10 0 ADAEHN CCC[C@H](C)NC(=O)[C@@](C)(N)C1CC1 37478756 572150612 /nfs/dbraw/zinc/15/06/12/572150612.db2.gz CSRMCXLCBCJFOG-KWQFWETISA-N 0 3 198.310 1.419 10 0 ADAEHN CCC(CC)NC(=O)[C@](C)(N)C1CC1 37478718 572150722 /nfs/dbraw/zinc/15/07/22/572150722.db2.gz GNRIOPFWYLFBQZ-LLVKDONJSA-N 0 3 198.310 1.419 10 0 ADAEHN CCCNC(=O)[C@H](C)N[C@H]1C[C@H]1CC 300387630 572150728 /nfs/dbraw/zinc/15/07/28/572150728.db2.gz PNLUOGPFVKNXCP-AEJSXWLSSA-N 0 3 198.310 1.289 10 0 ADAEHN CC[C@@H](C)NC(=O)[C@@](C)(N)C1CC1 37478710 572150757 /nfs/dbraw/zinc/15/07/57/572150757.db2.gz ASTVZCRACXFPRT-XCBNKYQSSA-N 0 3 184.283 1.029 10 0 ADAEHN 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Cc1ccc([C@@H](N)CN(C)C)cc1C 19265429 572181734 /nfs/dbraw/zinc/18/17/34/572181734.db2.gz LCVFQONXUNLNIQ-LBPRGKRZSA-N 0 3 192.306 1.865 10 0 ADAEHN CCC(=O)[C@@H](C)N(CC)C1CC1 82946783 572181754 /nfs/dbraw/zinc/18/17/54/572181754.db2.gz DPGFQXDSNBHOMN-MRVPVSSYSA-N 0 3 169.268 1.838 10 0 ADAEHN CN[C@H]1COc2cc3c(cc21)OCO3 35654482 572181788 /nfs/dbraw/zinc/18/17/88/572181788.db2.gz RADBSTCTAFCVKH-ZETCQYMHSA-N 0 3 193.202 1.068 10 0 ADAEHN CC1(C)C[C@H]1NC[C@@H](O)c1ccco1 70125248 572181816 /nfs/dbraw/zinc/18/18/16/572181816.db2.gz GYSYXBHWJFJBOB-PSASIEDQSA-N 0 3 195.262 1.701 10 0 ADAEHN CCCN(CCO)[C@@H](C)C(=O)CC 82947412 572181856 /nfs/dbraw/zinc/18/18/56/572181856.db2.gz QJQWHZVDROTPNG-VIFPVBQESA-N 0 3 187.283 1.058 10 0 ADAEHN CCC(=O)[C@H](C)N(CC)C1CC1 82946785 572181907 /nfs/dbraw/zinc/18/19/07/572181907.db2.gz DPGFQXDSNBHOMN-QMMMGPOBSA-N 0 3 169.268 1.838 10 0 ADAEHN CCC(=O)[C@@H](C)N1CC[C@H](COC)C1 82947860 572181919 /nfs/dbraw/zinc/18/19/19/572181919.db2.gz MQRCSVHBEXUIIJ-ZJUUUORDSA-N 0 3 199.294 1.322 10 0 ADAEHN Cc1ccc(C)c([C@@H](N)CN(C)C)c1 19259040 572181929 /nfs/dbraw/zinc/18/19/29/572181929.db2.gz RHIUKJWQUAOXOX-LBPRGKRZSA-N 0 3 192.306 1.865 10 0 ADAEHN CC(=O)/C=C1\CCN2CCC[C@@H]12 379338817 572181961 /nfs/dbraw/zinc/18/19/61/572181961.db2.gz QANMVPXNIBKEPZ-PCYYEKQGSA-N 0 3 165.236 1.370 10 0 ADAEHN CCO[C@@H]1Cc2ccccc2[C@H]1N 19262359 572181969 /nfs/dbraw/zinc/18/19/69/572181969.db2.gz PHYNVHIEAINECF-GHMZBOCLSA-N 0 3 177.247 1.648 10 0 ADAEHN C/C(=C/Cl)CN1CC[C@H](CO)C1 393347236 572181986 /nfs/dbraw/zinc/18/19/86/572181986.db2.gz IWASYWFWWSHVSQ-OTOXVQDCSA-N 0 3 189.686 1.443 10 0 ADAEHN CCCN(C)[C@@H](C)C(=O)CC 82946815 572181999 /nfs/dbraw/zinc/18/19/99/572181999.db2.gz DXPKTEBWKQZIIF-QMMMGPOBSA-N 0 3 157.257 1.696 10 0 ADAEHN CN(C)[C@H]1COc2ccccc2[C@@H]1N 19265732 572182134 /nfs/dbraw/zinc/18/21/34/572182134.db2.gz XMRDVUGAUHRTSM-ONGXEEELSA-N 0 3 192.262 1.009 10 0 ADAEHN CCC(=O)[C@H](C)N1CC[C@H](COC)C1 82947862 572182272 /nfs/dbraw/zinc/18/22/72/572182272.db2.gz MQRCSVHBEXUIIJ-UWVGGRQHSA-N 0 3 199.294 1.322 10 0 ADAEHN CCn1nncc1[C@H](N)[C@H](C)C1CC1 300964610 572182290 /nfs/dbraw/zinc/18/22/90/572182290.db2.gz YWIKFKDCQGAGAP-GMSGAONNSA-N 0 3 194.282 1.344 10 0 ADAEHN CCO[C@@H]1Cc2ccccc2[C@@H]1N 19262355 572182306 /nfs/dbraw/zinc/18/23/06/572182306.db2.gz PHYNVHIEAINECF-MNOVXSKESA-N 0 3 177.247 1.648 10 0 ADAEHN CCC(=O)[C@@H](C)N(C)CCCOC 82947701 572182332 /nfs/dbraw/zinc/18/23/32/572182332.db2.gz DRYZRKWWEBITPS-SECBINFHSA-N 0 3 187.283 1.322 10 0 ADAEHN C[C@H]1COc2ccc(F)cc2[C@@H]1N 35753469 572182458 /nfs/dbraw/zinc/18/24/58/572182458.db2.gz WQAMGVSLBXLWSB-QUBYGPBYSA-N 0 3 181.210 1.854 10 0 ADAEHN CCC(=O)[C@@H](C)N(C)C[C@@H]1C[C@@H]1C 82947806 572182478 /nfs/dbraw/zinc/18/24/78/572182478.db2.gz APBYGIBHUWZPLQ-AEJSXWLSSA-N 0 3 183.295 1.942 10 0 ADAEHN Cc1ccc([C@H](N)CN(C)C)cc1C 19265426 572182691 /nfs/dbraw/zinc/18/26/91/572182691.db2.gz LCVFQONXUNLNIQ-GFCCVEGCSA-N 0 3 192.306 1.865 10 0 ADAEHN CCn1nncc1[C@H](N)[C@@H](C)C1CC1 300964614 572182681 /nfs/dbraw/zinc/18/26/81/572182681.db2.gz YWIKFKDCQGAGAP-OIBJUYFYSA-N 0 3 194.282 1.344 10 0 ADAEHN CC(C)NCc1cn2ccccc2n1 19266224 572182789 /nfs/dbraw/zinc/18/27/89/572182789.db2.gz ZPWMHDVYULECLI-UHFFFAOYSA-N 0 3 189.262 1.832 10 0 ADAEHN CCC(=O)[C@@H](C)N(C)C1CCOCC1 82946906 572182864 /nfs/dbraw/zinc/18/28/64/572182864.db2.gz MMDVQRMNFKRELF-SECBINFHSA-N 0 3 199.294 1.465 10 0 ADAEHN c1cc2c3c(cnc2s1)CNCC3 84311718 572182879 /nfs/dbraw/zinc/18/28/79/572182879.db2.gz JGXNJOMTHWPIBL-UHFFFAOYSA-N 0 3 190.271 1.942 10 0 ADAEHN COCC[C@@](C)(N)c1ccc(F)cn1 687790775 572182911 /nfs/dbraw/zinc/18/29/11/572182911.db2.gz FAYKJULWFGKCGN-SNVBAGLBSA-N 0 3 198.241 1.431 10 0 ADAEHN C/C=C\CNCC(=O)N(CC)CC 393347160 572183077 /nfs/dbraw/zinc/18/30/77/572183077.db2.gz GMDWHAMRRBOMKO-DAXSKMNVSA-N 0 3 184.283 1.021 10 0 ADAEHN CCO[C@H]1Cc2ccccc2[C@H]1N 19262362 572183095 /nfs/dbraw/zinc/18/30/95/572183095.db2.gz PHYNVHIEAINECF-WDEREUQCSA-N 0 3 177.247 1.648 10 0 ADAEHN CN(C)[C@@H]1COc2ccccc2[C@H]1N 19265734 572183133 /nfs/dbraw/zinc/18/31/33/572183133.db2.gz XMRDVUGAUHRTSM-MWLCHTKSSA-N 0 3 192.262 1.009 10 0 ADAEHN Cn1ccc([C@@H]2CCCCCN2)n1 19291006 572183280 /nfs/dbraw/zinc/18/32/80/572183280.db2.gz NZAKJBXVGNNGFT-VIFPVBQESA-N 0 3 179.267 1.625 10 0 ADAEHN CCO[C@H]1COc2ccccc2[C@H]1N 19279945 572183350 /nfs/dbraw/zinc/18/33/50/572183350.db2.gz DPLTYJFSSBYSQE-WDEREUQCSA-N 0 3 193.246 1.484 10 0 ADAEHN CN(C)[C@@H]1COc2ccccc2[C@@H]1N 19265730 572183675 /nfs/dbraw/zinc/18/36/75/572183675.db2.gz XMRDVUGAUHRTSM-KOLCDFICSA-N 0 3 192.262 1.009 10 0 ADAEHN CCC(=O)[C@H](C)N1CCCC[C@@H]1CO 82949751 572183850 /nfs/dbraw/zinc/18/38/50/572183850.db2.gz OHHKORQGSHWPCY-VHSXEESVSA-N 0 3 199.294 1.201 10 0 ADAEHN C[C@H](O)COc1cccc(F)c1CN 37730212 572184188 /nfs/dbraw/zinc/18/41/88/572184188.db2.gz RPBCLNJHUBBFFL-ZETCQYMHSA-N 0 3 199.225 1.044 10 0 ADAEHN COC(=O)/C=C1\CCN(C)[C@@H](C)C1 379339651 572184217 /nfs/dbraw/zinc/18/42/17/572184217.db2.gz YETYPZJKUFVGJQ-INTFFVIUSA-N 0 3 183.251 1.200 10 0 ADAEHN COC(=O)/C=C1\CCN(C)[C@H](C)C1 379339652 572184264 /nfs/dbraw/zinc/18/42/64/572184264.db2.gz YETYPZJKUFVGJQ-KGOFQHAKSA-N 0 3 183.251 1.200 10 0 ADAEHN COC1C(=O)c2ccccc2N1OC 35784433 572185188 /nfs/dbraw/zinc/18/51/88/572185188.db2.gz IXXUTSWQPHFMSO-JTQLQIEISA-N 0 3 193.202 1.223 10 0 ADAEHN COc1c(O)c2ccccc2n1OC 35784433 572185190 /nfs/dbraw/zinc/18/51/90/572185190.db2.gz IXXUTSWQPHFMSO-JTQLQIEISA-N 0 3 193.202 1.223 10 0 ADAEHN CCn1nncc1[C@@H](N)[C@H](C)C1CC1 300964615 572184530 /nfs/dbraw/zinc/18/45/30/572184530.db2.gz YWIKFKDCQGAGAP-XCBNKYQSSA-N 0 3 194.282 1.344 10 0 ADAEHN CCn1nncc1[C@@H](N)[C@@H](C)C1CC1 300964619 572184650 /nfs/dbraw/zinc/18/46/50/572184650.db2.gz YWIKFKDCQGAGAP-XVKPBYJWSA-N 0 3 194.282 1.344 10 0 ADAEHN Cc1ccc(Nc2ncc[nH]2)cn1 235881038 572184780 /nfs/dbraw/zinc/18/47/80/572184780.db2.gz JTFHDSSLMUBCOL-UHFFFAOYSA-N 0 3 174.207 1.857 10 0 ADAEHN CN(C)Cc1ccccc1C(N)=S 19422336 572184813 /nfs/dbraw/zinc/18/48/13/572184813.db2.gz GIGQLSHKVLOBEV-UHFFFAOYSA-N 0 3 194.303 1.382 10 0 ADAEHN COCC[C@](C)(N)c1ccc(F)cn1 687790774 572184951 /nfs/dbraw/zinc/18/49/51/572184951.db2.gz FAYKJULWFGKCGN-JTQLQIEISA-N 0 3 198.241 1.431 10 0 ADAEHN C[C@@H]1COc2ccc(F)cc2[C@@H]1N 35753466 572185066 /nfs/dbraw/zinc/18/50/66/572185066.db2.gz WQAMGVSLBXLWSB-LHLIQPBNSA-N 0 3 181.210 1.854 10 0 ADAEHN CNCc1cncnc1OC1CCC1 300964591 572185254 /nfs/dbraw/zinc/18/52/54/572185254.db2.gz VZNDTBQOOSYQCF-UHFFFAOYSA-N 0 3 193.250 1.127 10 0 ADAEHN CCCCNC(=O)[C@H]1CCC[C@H](C)N1 19483997 572185467 /nfs/dbraw/zinc/18/54/67/572185467.db2.gz GIBYPJJKZFITNT-VHSXEESVSA-N 0 3 198.310 1.433 10 0 ADAEHN CCOCC[C@H](N)c1ccnc(C)n1 687791652 572185587 /nfs/dbraw/zinc/18/55/87/572185587.db2.gz PHTKOTZLBPEZIN-VIFPVBQESA-N 0 3 195.266 1.211 10 0 ADAEHN CCCOc1nc(C)cc(CNC)n1 300965485 572185678 /nfs/dbraw/zinc/18/56/78/572185678.db2.gz WCSBXOADONOHAS-UHFFFAOYSA-N 0 3 195.266 1.293 10 0 ADAEHN CCCNC(=O)[C@H]1CCC[C@H](C)N1 19502484 572185716 /nfs/dbraw/zinc/18/57/16/572185716.db2.gz MTMVUYQNGOAYHM-DTWKUNHWSA-N 0 3 184.283 1.043 10 0 ADAEHN CSC[C@@H](C)[C@H](N)c1nccn1C 300967293 572185734 /nfs/dbraw/zinc/18/57/34/572185734.db2.gz QFGDHQXFGJIUNJ-SFYZADRCSA-N 0 3 199.323 1.419 10 0 ADAEHN CCC(=O)[C@@H](C)N1CCCC[C@@H]1CO 82949749 572185750 /nfs/dbraw/zinc/18/57/50/572185750.db2.gz OHHKORQGSHWPCY-NXEZZACHSA-N 0 3 199.294 1.201 10 0 ADAEHN CCCCNC(=O)[C@@H]1CCC[C@H](C)N1 19483995 572185788 /nfs/dbraw/zinc/18/57/88/572185788.db2.gz GIBYPJJKZFITNT-UWVGGRQHSA-N 0 3 198.310 1.433 10 0 ADAEHN CC(C)N(C)C(=O)[C@H]1CCC[C@H](C)N1 19516197 572185835 /nfs/dbraw/zinc/18/58/35/572185835.db2.gz XFFVSLCXRJHURT-VHSXEESVSA-N 0 3 198.310 1.384 10 0 ADAEHN COc1cccc2c1C(=O)C[C@H]2N 35923770 572185885 /nfs/dbraw/zinc/18/58/85/572185885.db2.gz XTIQROYQYXCRQY-SSDOTTSWSA-N 0 3 177.203 1.281 10 0 ADAEHN C[C@H]1CC[C@H](NCc2cc[nH]n2)[C@@H]1C 83040634 572186009 /nfs/dbraw/zinc/18/60/09/572186009.db2.gz PYDHZRCQNOVSFS-NGZCFLSTSA-N 0 3 193.294 1.934 10 0 ADAEHN CCCNC(=O)[C@@H]1CCC[C@H](C)N1 19502482 572186059 /nfs/dbraw/zinc/18/60/59/572186059.db2.gz MTMVUYQNGOAYHM-IUCAKERBSA-N 0 3 184.283 1.043 10 0 ADAEHN CN(CC(N)=S)Cc1ccccc1 19504356 572186078 /nfs/dbraw/zinc/18/60/78/572186078.db2.gz ABUHYSIUOLEGEE-UHFFFAOYSA-N 0 3 194.303 1.405 10 0 ADAEHN CSC[C@H](C)[C@H](N)c1nccn1C 300967294 572186136 /nfs/dbraw/zinc/18/61/36/572186136.db2.gz QFGDHQXFGJIUNJ-YUMQZZPRSA-N 0 3 199.323 1.419 10 0 ADAEHN CCCCNC(=O)[C@H]1CCC[C@@H](C)N1 19483993 572186204 /nfs/dbraw/zinc/18/62/04/572186204.db2.gz GIBYPJJKZFITNT-NXEZZACHSA-N 0 3 198.310 1.433 10 0 ADAEHN CC(C)(C)SC1=NCCN1 35904554 572186266 /nfs/dbraw/zinc/18/62/66/572186266.db2.gz JUVLYPYRZYYFCH-UHFFFAOYSA-N 0 3 158.270 1.477 10 0 ADAEHN CCNCC(=O)N[C@H]1CC[C@H](C)[C@@H]1C 83043492 572186334 /nfs/dbraw/zinc/18/63/34/572186334.db2.gz NQLFOLQALOQGNC-GUBZILKMSA-N 0 3 198.310 1.147 10 0 ADAEHN CC(C)N(C)C(=O)[C@@H]1CCC[C@@H](C)N1 19516192 572186354 /nfs/dbraw/zinc/18/63/54/572186354.db2.gz XFFVSLCXRJHURT-ZJUUUORDSA-N 0 3 198.310 1.384 10 0 ADAEHN CC(C)N(C)C(=O)[C@@H]1CCC[C@H](C)N1 19516195 572186445 /nfs/dbraw/zinc/18/64/45/572186445.db2.gz XFFVSLCXRJHURT-UWVGGRQHSA-N 0 3 198.310 1.384 10 0 ADAEHN C[C@H]1CC[C@H](NCc2ncc[nH]2)[C@@H]1C 83041029 572186446 /nfs/dbraw/zinc/18/64/46/572186446.db2.gz KOFMIYBFQJXUFA-AEJSXWLSSA-N 0 3 193.294 1.934 10 0 ADAEHN CCC(C)(C)Oc1ncncc1CN 300965344 572186647 /nfs/dbraw/zinc/18/66/47/572186647.db2.gz WAHZVLJEEHMBBE-UHFFFAOYSA-N 0 3 195.266 1.503 10 0 ADAEHN CCCNC(=O)[C@H]1CCC[C@@H](C)N1 19502480 572187070 /nfs/dbraw/zinc/18/70/70/572187070.db2.gz MTMVUYQNGOAYHM-RKDXNWHRSA-N 0 3 184.283 1.043 10 0 ADAEHN Cc1ccc(-n2ccnc2N)c(C)n1 235882725 572186760 /nfs/dbraw/zinc/18/67/60/572186760.db2.gz ULBVVHGJOHHOSQ-UHFFFAOYSA-N 0 3 188.234 1.466 10 0 ADAEHN CCC(CC)[C@H](N)c1cnnn1CC 300967606 572186860 /nfs/dbraw/zinc/18/68/60/572186860.db2.gz ZHSYNEHZFRUIMJ-JTQLQIEISA-N 0 3 196.298 1.734 10 0 ADAEHN CCC(C)(C)N1CCC(=O)CC1 19502435 572186866 /nfs/dbraw/zinc/18/68/66/572186866.db2.gz JZVNMXGYUVLSPG-UHFFFAOYSA-N 0 3 169.268 1.840 10 0 ADAEHN Cc1ccc(Nc2nccn2C)cn1 235883333 572186867 /nfs/dbraw/zinc/18/68/67/572186867.db2.gz PVPAWTLKFOHIQZ-UHFFFAOYSA-N 0 3 188.234 1.867 10 0 ADAEHN CCNCC(=O)N[C@H]1CC[C@@H](C)[C@@H]1C 83043497 572186872 /nfs/dbraw/zinc/18/68/72/572186872.db2.gz NQLFOLQALOQGNC-UTLUCORTSA-N 0 3 198.310 1.147 10 0 ADAEHN C[C@H]1CC[C@H](NC2COC2)[C@@H]1C 83043965 572186904 /nfs/dbraw/zinc/18/69/04/572186904.db2.gz VCHGIFCIRDHYLU-XKSSXDPKSA-N 0 3 169.268 1.409 10 0 ADAEHN C[C@H]1CC[C@@H](NC2COC2)[C@@H]1C 83043969 572186931 /nfs/dbraw/zinc/18/69/31/572186931.db2.gz VCHGIFCIRDHYLU-QXFUBDJGSA-N 0 3 169.268 1.409 10 0 ADAEHN CCOCC[C@@H](N)c1ccnc(C)n1 687791651 572186956 /nfs/dbraw/zinc/18/69/56/572186956.db2.gz PHTKOTZLBPEZIN-SECBINFHSA-N 0 3 195.266 1.211 10 0 ADAEHN CSC[C@H](C)[C@@H](N)c1nccn1C 300967291 572187103 /nfs/dbraw/zinc/18/71/03/572187103.db2.gz QFGDHQXFGJIUNJ-JGVFFNPUSA-N 0 3 199.323 1.419 10 0 ADAEHN Cc1ccc(-n2ccnc2N)cn1 235883124 572187574 /nfs/dbraw/zinc/18/75/74/572187574.db2.gz NVRIFBLUUVURQE-UHFFFAOYSA-N 0 3 174.207 1.158 10 0 ADAEHN CNCc1occc1-c1ccn(C)n1 234401378 572187551 /nfs/dbraw/zinc/18/75/51/572187551.db2.gz DSDSUSDUYBGKCY-UHFFFAOYSA-N 0 3 191.234 1.400 10 0 ADAEHN CCCC(=O)[C@H]1CCCN1C1CC1 725330174 572188716 /nfs/dbraw/zinc/18/87/16/572188716.db2.gz SHPIWEDBZPDNKW-SNVBAGLBSA-N 0 3 181.279 1.982 10 0 ADAEHN N[C@@H](CN1CCCCCC1)C(F)F 687791846 572188801 /nfs/dbraw/zinc/18/88/01/572188801.db2.gz VUDGMNLYYKLVEC-QMMMGPOBSA-N 0 3 192.253 1.455 10 0 ADAEHN CC(C)OCc1ccc(CN)cn1 83119815 572187823 /nfs/dbraw/zinc/18/78/23/572187823.db2.gz LCUGLZXSFFBNHS-UHFFFAOYSA-N 0 3 180.251 1.465 10 0 ADAEHN C[C@H]1CC[C@@H](NCc2ncc[nH]2)[C@@H]1C 83041031 572187852 /nfs/dbraw/zinc/18/78/52/572187852.db2.gz KOFMIYBFQJXUFA-IVZWLZJFSA-N 0 3 193.294 1.934 10 0 ADAEHN CCNCC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 83043495 572187861 /nfs/dbraw/zinc/18/78/61/572187861.db2.gz NQLFOLQALOQGNC-KXUCPTDWSA-N 0 3 198.310 1.147 10 0 ADAEHN CC[C@H]1CC(N)=NN1c1ccccc1 35957643 572188807 /nfs/dbraw/zinc/18/88/07/572188807.db2.gz HFYDEKPCEUTHQK-VIFPVBQESA-N 0 3 189.262 1.948 10 0 ADAEHN CNCc1cc(-c2cc[nH]c2)n[nH]1 249848430 572188808 /nfs/dbraw/zinc/18/88/08/572188808.db2.gz HGSOQQZDNVLJRX-UHFFFAOYSA-N 0 3 176.223 1.124 10 0 ADAEHN CCCCNC(=O)[C@@H]1CCC[C@@H](C)N1 19483991 572187968 /nfs/dbraw/zinc/18/79/68/572187968.db2.gz GIBYPJJKZFITNT-ZJUUUORDSA-N 0 3 198.310 1.433 10 0 ADAEHN Cc1ccc(-n2ccnc2N)cc1F 235883071 572187990 /nfs/dbraw/zinc/18/79/90/572187990.db2.gz RSMGCGLKFVEDJI-UHFFFAOYSA-N 0 3 191.209 1.902 10 0 ADAEHN C[C@H]1CC[C@@H](NC(=O)C(C)(C)N)[C@@H]1C 83043054 572187999 /nfs/dbraw/zinc/18/79/99/572187999.db2.gz HIIRDXSOEBUABS-DJLDLDEBSA-N 0 3 198.310 1.275 10 0 ADAEHN CCNCC(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 83043489 572188033 /nfs/dbraw/zinc/18/80/33/572188033.db2.gz NQLFOLQALOQGNC-LPEHRKFASA-N 0 3 198.310 1.147 10 0 ADAEHN CNCc1occc1-c1ccnn1C 234401511 572188044 /nfs/dbraw/zinc/18/80/44/572188044.db2.gz RMHJUQHYNXCHMN-UHFFFAOYSA-N 0 3 191.234 1.400 10 0 ADAEHN CCC[C@@H](N)c1csnc1OC 712928039 572189331 /nfs/dbraw/zinc/18/93/31/572189331.db2.gz CCLCCQPVGHSQDV-SSDOTTSWSA-N 0 3 186.280 1.952 10 0 ADAEHN CNCc1cc(-c2ccc[nH]2)nn1C 249858032 572188663 /nfs/dbraw/zinc/18/86/63/572188663.db2.gz UHWIFDZOXACIMR-UHFFFAOYSA-N 0 3 190.250 1.135 10 0 ADAEHN CC[C@H]1CC[C@@H](NC2COC2)[C@@H]1C 83048812 572188795 /nfs/dbraw/zinc/18/87/95/572188795.db2.gz YXSVUUQEDLXTRQ-WCABBAIRSA-N 0 3 183.295 1.800 10 0 ADAEHN CNCc1occc1-c1nccn1C 234402252 572188790 /nfs/dbraw/zinc/18/87/90/572188790.db2.gz OXSSEJROIPTNDS-UHFFFAOYSA-N 0 3 191.234 1.400 10 0 ADAEHN C[C@H](CC1CC1)NCc1cnoc1 69665536 572188898 /nfs/dbraw/zinc/18/88/98/572188898.db2.gz JXYIXNXPASEDKD-MRVPVSSYSA-N 0 3 180.251 1.953 10 0 ADAEHN COc1nscc1[C@@]1(C)CCCN1 712929395 572189050 /nfs/dbraw/zinc/18/90/50/572189050.db2.gz JJDUDFVYWGCONK-SECBINFHSA-N 0 3 198.291 1.750 10 0 ADAEHN c1nocc1CNC[C@H]1CCSC1 687791678 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1.947 10 0 ADAEHN Fc1cnccc1CNCC1CC1 83094057 572195530 /nfs/dbraw/zinc/19/55/30/572195530.db2.gz IGLYWYITZPAFCP-UHFFFAOYSA-N 0 3 180.226 1.720 10 0 ADAEHN CCOc1ccc2c(c1)[C@H](O)CNC2 36155618 572195883 /nfs/dbraw/zinc/19/58/83/572195883.db2.gz NLBIUEJLJMIWNO-LLVKDONJSA-N 0 3 193.246 1.222 10 0 ADAEHN CCc1ccc2c(c1)[C@@H](O)CNC2 36155546 572195905 /nfs/dbraw/zinc/19/59/05/572195905.db2.gz GOHDDGDSUFJFQU-NSHDSACASA-N 0 3 177.247 1.386 10 0 ADAEHN C[C@@]1(CN)OC[C@@H](c2cccs2)O1 19730420 572195941 /nfs/dbraw/zinc/19/59/41/572195941.db2.gz IFKMGANTICYFHP-IONNQARKSA-N 0 3 199.275 1.511 10 0 ADAEHN Cc1ccc2c(c1)[C@H](O)CNC2 36155519 572195957 /nfs/dbraw/zinc/19/59/57/572195957.db2.gz KEIFWIINWNBEQS-SNVBAGLBSA-N 0 3 163.220 1.132 10 0 ADAEHN c1ccc2c(c1)CN1CCNC[C@H]21 36155405 572196091 /nfs/dbraw/zinc/19/60/91/572196091.db2.gz NBJGUFJEDVOREF-LLVKDONJSA-N 0 3 174.247 1.147 10 0 ADAEHN Cc1cccn2cc([C@H](C)N)nc12 19765380 572196096 /nfs/dbraw/zinc/19/60/96/572196096.db2.gz ZGRWNCYLZBECBD-QMMMGPOBSA-N 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RBXMCPZKJKAOIV-QWRGUYRKSA-N 0 3 193.246 1.449 10 0 ADAEHN C[C@@]1(CN)OC[C@H](c2cccs2)O1 19730422 572196513 /nfs/dbraw/zinc/19/65/13/572196513.db2.gz IFKMGANTICYFHP-VXNVDRBHSA-N 0 3 199.275 1.511 10 0 ADAEHN C=CC(=O)N1C[C@@H](CC)NC[C@H]1CC 83117677 572196588 /nfs/dbraw/zinc/19/65/88/572196588.db2.gz CXMQSUMRRAQEAP-NXEZZACHSA-N 0 3 196.294 1.161 10 0 ADAEHN C[C@@]1(CN)OC[C@H](c2ccco2)O1 19730418 572196670 /nfs/dbraw/zinc/19/66/70/572196670.db2.gz HAHIZJIEJXABHM-RKDXNWHRSA-N 0 3 183.207 1.042 10 0 ADAEHN CCC(=O)N1C[C@H](CC)NC[C@@H]1CC 83117644 572196846 /nfs/dbraw/zinc/19/68/46/572196846.db2.gz ZIYHJJXMPJJWRU-UWVGGRQHSA-N 0 3 198.310 1.385 10 0 ADAEHN Cc1ncc(C)c(CNCC(C)C)n1 300974385 572196880 /nfs/dbraw/zinc/19/68/80/572196880.db2.gz SMBSGLRQWDNHGD-UHFFFAOYSA-N 0 3 193.294 1.839 10 0 ADAEHN Cc1ccc2nc([C@@H](C)N)cn2c1 19765385 572197035 /nfs/dbraw/zinc/19/70/35/572197035.db2.gz IDKPLVSTPJDQEQ-MRVPVSSYSA-N 0 3 175.235 1.662 10 0 ADAEHN C[C@@H](N)Oc1ccccc1 78205768 572197075 /nfs/dbraw/zinc/19/70/75/572197075.db2.gz QYYKZVMRNIHICX-ZETCQYMHSA-N 0 3 137.182 1.370 10 0 ADAEHN C[C@@]1(CN)OC[C@@H](c2ccco2)O1 19730416 572197106 /nfs/dbraw/zinc/19/71/06/572197106.db2.gz HAHIZJIEJXABHM-DTWKUNHWSA-N 0 3 183.207 1.042 10 0 ADAEHN CCC(=O)N1C[C@@H](CC)NC[C@@H]1CC 83117642 572197678 /nfs/dbraw/zinc/19/76/78/572197678.db2.gz ZIYHJJXMPJJWRU-ZJUUUORDSA-N 0 3 198.310 1.385 10 0 ADAEHN CCC(=O)N1C[C@@H](CC)NC[C@H]1CC 83117641 572197292 /nfs/dbraw/zinc/19/72/92/572197292.db2.gz ZIYHJJXMPJJWRU-NXEZZACHSA-N 0 3 198.310 1.385 10 0 ADAEHN C=CC(=O)N1C[C@H](CC)NC[C@H]1CC 83117679 572197306 /nfs/dbraw/zinc/19/73/06/572197306.db2.gz CXMQSUMRRAQEAP-VHSXEESVSA-N 0 3 196.294 1.161 10 0 ADAEHN CCCCN(C(=O)CN)[C@H](C)CC 37809860 572197394 /nfs/dbraw/zinc/19/73/94/572197394.db2.gz LHDGQKVLKKWIRZ-SECBINFHSA-N 0 3 186.299 1.372 10 0 ADAEHN C[C@@]1(CN)OC[C@@H](c2ccccc2)O1 19730436 572197702 /nfs/dbraw/zinc/19/77/02/572197702.db2.gz RBXMCPZKJKAOIV-WDEREUQCSA-N 0 3 193.246 1.449 10 0 ADAEHN COC[C@@H](C)OCc1occc1CN 70209130 572197578 /nfs/dbraw/zinc/19/75/78/572197578.db2.gz UWMBALROFRMVDW-MRVPVSSYSA-N 0 3 199.250 1.290 10 0 ADAEHN C[C@]1(CN)OC[C@H](c2cccs2)O1 19730423 572198177 /nfs/dbraw/zinc/19/81/77/572198177.db2.gz IFKMGANTICYFHP-APPZFPTMSA-N 0 3 199.275 1.511 10 0 ADAEHN C[C@]1(CN)OC[C@@H](c2ccco2)O1 19730417 572197925 /nfs/dbraw/zinc/19/79/25/572197925.db2.gz HAHIZJIEJXABHM-IUCAKERBSA-N 0 3 183.207 1.042 10 0 ADAEHN C=CC(=O)N1C[C@@H](CC)NC[C@@H]1CC 83117678 572197986 /nfs/dbraw/zinc/19/79/86/572197986.db2.gz CXMQSUMRRAQEAP-ZJUUUORDSA-N 0 3 196.294 1.161 10 0 ADAEHN Cc1cccn2cc([C@@H](C)N)nc12 19765378 572198515 /nfs/dbraw/zinc/19/85/15/572198515.db2.gz ZGRWNCYLZBECBD-MRVPVSSYSA-N 0 3 175.235 1.662 10 0 ADAEHN C[C@]1(CN)OC[C@H](c2ccco2)O1 19730419 572198018 /nfs/dbraw/zinc/19/80/18/572198018.db2.gz HAHIZJIEJXABHM-BDAKNGLRSA-N 0 3 183.207 1.042 10 0 ADAEHN C[C@H](N)Oc1ccccc1 78205769 572198251 /nfs/dbraw/zinc/19/82/51/572198251.db2.gz QYYKZVMRNIHICX-SSDOTTSWSA-N 0 3 137.182 1.370 10 0 ADAEHN Cc1ccn2cc([C@H](C)N)nc2c1 19765383 572198292 /nfs/dbraw/zinc/19/82/92/572198292.db2.gz CHXPNFKFSMWYEM-QMMMGPOBSA-N 0 3 175.235 1.662 10 0 ADAEHN CC(C)c1nnc2c(CN)cccn12 36220503 572198303 /nfs/dbraw/zinc/19/83/03/572198303.db2.gz ICTKLCYSEDJMLB-UHFFFAOYSA-N 0 3 190.250 1.311 10 0 ADAEHN COC[C@@H](C)[C@H](N)c1cncs1 687793226 572198319 /nfs/dbraw/zinc/19/83/19/572198319.db2.gz YOZHWXNKRQYKRA-SVRRBLITSA-N 0 3 186.280 1.425 10 0 ADAEHN Cc1cccc2nc([C@H](C)N)cn12 19765391 572198381 /nfs/dbraw/zinc/19/83/81/572198381.db2.gz DFOSEUQCTYTWIV-QMMMGPOBSA-N 0 3 175.235 1.662 10 0 ADAEHN CCC(=O)N1C[C@H](CC)NC[C@H]1CC 83117643 572198451 /nfs/dbraw/zinc/19/84/51/572198451.db2.gz ZIYHJJXMPJJWRU-VHSXEESVSA-N 0 3 198.310 1.385 10 0 ADAEHN C[C@]1(CN)OC[C@@H](c2cccs2)O1 19730421 572198535 /nfs/dbraw/zinc/19/85/35/572198535.db2.gz IFKMGANTICYFHP-CBAPKCEASA-N 0 3 199.275 1.511 10 0 ADAEHN CCOc1cccn2cc(CN)nc12 36223152 572198540 /nfs/dbraw/zinc/19/85/40/572198540.db2.gz SXCBJNPSHCECQV-UHFFFAOYSA-N 0 3 191.234 1.192 10 0 ADAEHN C[C@]1(CN)OC[C@H](c2ccccc2)O1 19730439 572198771 /nfs/dbraw/zinc/19/87/71/572198771.db2.gz RBXMCPZKJKAOIV-MNOVXSKESA-N 0 3 193.246 1.449 10 0 ADAEHN Cc1nc2ccc(F)cn2c1CN 36244530 572198915 /nfs/dbraw/zinc/19/89/15/572198915.db2.gz FZPMGHNHVNTWOG-UHFFFAOYSA-N 0 3 179.198 1.241 10 0 ADAEHN Cc1cc2ncc(C)n2cc1N 36244813 572199075 /nfs/dbraw/zinc/19/90/75/572199075.db2.gz SXYPEIKLRKDPGH-UHFFFAOYSA-N 0 3 161.208 1.533 10 0 ADAEHN CCN[C@H](c1cnccn1)C1CCC1 83122221 572199261 /nfs/dbraw/zinc/19/92/61/572199261.db2.gz XHUYQNPPCPEDJI-NSHDSACASA-N 0 3 191.278 1.927 10 0 ADAEHN COC[C@H](C)[C@@H](N)c1cncs1 687793225 572199163 /nfs/dbraw/zinc/19/91/63/572199163.db2.gz YOZHWXNKRQYKRA-POYBYMJQSA-N 0 3 186.280 1.425 10 0 ADAEHN COC[C@@H](C)[C@@H](N)c1cncs1 687793224 572199135 /nfs/dbraw/zinc/19/91/35/572199135.db2.gz YOZHWXNKRQYKRA-HTRCEHHLSA-N 0 3 186.280 1.425 10 0 ADAEHN CNCC=C(Cl)Cl 78205154 572199197 /nfs/dbraw/zinc/19/91/97/572199197.db2.gz KBAYXEGBIZIJDH-UHFFFAOYSA-N 0 3 140.013 1.525 10 0 ADAEHN Cc1ccc([C@H](N)CN(C)C)c(C)c1 19821222 572199310 /nfs/dbraw/zinc/19/93/10/572199310.db2.gz HXFBUPAVVRSAAN-GFCCVEGCSA-N 0 3 192.306 1.865 10 0 ADAEHN CN(C)[C@H](CNC=O)c1ccccc1 83145031 572199326 /nfs/dbraw/zinc/19/93/26/572199326.db2.gz XYDCLRABLOIOHG-LLVKDONJSA-N 0 3 192.262 1.035 10 0 ADAEHN COC[C@H](C)[C@H](N)c1cncs1 687793227 572199396 /nfs/dbraw/zinc/19/93/96/572199396.db2.gz YOZHWXNKRQYKRA-XPUUQOCRSA-N 0 3 186.280 1.425 10 0 ADAEHN CCNCc1cnc(C2CCC2)nc1 83136496 572199453 /nfs/dbraw/zinc/19/94/53/572199453.db2.gz XCRMZDOLOGYDJQ-UHFFFAOYSA-N 0 3 191.278 1.854 10 0 ADAEHN CCCC[C@H](CC)C[C@@H](N)C(N)=O 83144455 572199467 /nfs/dbraw/zinc/19/94/67/572199467.db2.gz RNOGVTRYOHMXHM-DTWKUNHWSA-N 0 3 186.299 1.406 10 0 ADAEHN Cc1cnc(CCC(C)C)nc1CN 300971923 572199500 /nfs/dbraw/zinc/19/95/00/572199500.db2.gz SAQPTKFFKDNSCU-UHFFFAOYSA-N 0 3 193.294 1.832 10 0 ADAEHN Cc1ccc([C@H](O)CN(C)C)cc1 19784765 572199501 /nfs/dbraw/zinc/19/95/01/572199501.db2.gz BNEPHVFCKCLUMJ-LLVKDONJSA-N 0 3 179.263 1.590 10 0 ADAEHN CCNCc1c(F)cccc1OC 83141712 572200247 /nfs/dbraw/zinc/20/02/47/572200247.db2.gz CQNNXYZKAPRKKT-UHFFFAOYSA-N 0 3 183.226 1.944 10 0 ADAEHN C[C@@H](c1cccnc1)N(C)C 39051063 572199556 /nfs/dbraw/zinc/19/95/56/572199556.db2.gz MSDVRBYHBSTAOM-QMMMGPOBSA-N 0 3 150.225 1.704 10 0 ADAEHN C[C@H](NCc1cnoc1)[C@H]1CCOC1 687793327 572199597 /nfs/dbraw/zinc/19/95/97/572199597.db2.gz AIUWCOBZUODRQZ-WPRPVWTQSA-N 0 3 196.250 1.189 10 0 ADAEHN CN(C)C[C@@H](O)c1ccc(Cl)cc1 19784781 572199617 /nfs/dbraw/zinc/19/96/17/572199617.db2.gz JVVMFJDNIBZNOE-SNVBAGLBSA-N 0 3 199.681 1.935 10 0 ADAEHN Cc1ccc([C@@H](N)CN(C)C)c(C)c1 19821224 572199648 /nfs/dbraw/zinc/19/96/48/572199648.db2.gz HXFBUPAVVRSAAN-LBPRGKRZSA-N 0 3 192.306 1.865 10 0 ADAEHN C[C@@H](CNCc1cnoc1)C1CC1 686231012 572199671 /nfs/dbraw/zinc/19/96/71/572199671.db2.gz UOKZEYWQTMDBHH-QMMMGPOBSA-N 0 3 180.251 1.810 10 0 ADAEHN O[C@H](CN1CCCCC1)c1ccco1 19784918 572199715 /nfs/dbraw/zinc/19/97/15/572199715.db2.gz KGWISONDQMNGNG-SNVBAGLBSA-N 0 3 195.262 1.799 10 0 ADAEHN CCCC[C@H](CC)C[C@H](N)C(N)=O 83144453 572199720 /nfs/dbraw/zinc/19/97/20/572199720.db2.gz RNOGVTRYOHMXHM-IUCAKERBSA-N 0 3 186.299 1.406 10 0 ADAEHN CCc1c(C)sc2nc(CN)cn12 36255082 572200879 /nfs/dbraw/zinc/20/08/79/572200879.db2.gz AHMUHLUWZQKBQY-UHFFFAOYSA-N 0 3 195.291 1.725 10 0 ADAEHN CN(C)C[C@@H](O)c1ccc(F)cc1 19784769 572199791 /nfs/dbraw/zinc/19/97/91/572199791.db2.gz HNSXPGUYCXRXKX-SNVBAGLBSA-N 0 3 183.226 1.421 10 0 ADAEHN CN(C)CCC(=O)C[C@@H]1CCCO1 686230416 572199808 /nfs/dbraw/zinc/19/98/08/572199808.db2.gz OMURLPZGDIHFJR-JTQLQIEISA-N 0 3 185.267 1.076 10 0 ADAEHN c1[nH]c(C2CCC2)nc1CNC1CC1 83136759 572200599 /nfs/dbraw/zinc/20/05/99/572200599.db2.gz XHTOBWHVMFSLQU-UHFFFAOYSA-N 0 3 191.278 1.929 10 0 ADAEHN CC(C)C(=O)c1ccc(CN)cc1 19779667 572199880 /nfs/dbraw/zinc/19/98/80/572199880.db2.gz HOGXYHGKTSUSTP-UHFFFAOYSA-N 0 3 177.247 1.984 10 0 ADAEHN CC(C)C(=O)N[C@@H](C)CN1CCCC1 70227601 572199888 /nfs/dbraw/zinc/19/98/88/572199888.db2.gz GAVOLBYNWYCNIZ-JTQLQIEISA-N 0 3 198.310 1.243 10 0 ADAEHN CN(C)[C@@H](CNC=O)c1ccccc1 83145030 572199916 /nfs/dbraw/zinc/19/99/16/572199916.db2.gz XYDCLRABLOIOHG-NSHDSACASA-N 0 3 192.262 1.035 10 0 ADAEHN CSC[C@@H](C)NCc1cnoc1 686230402 572199951 /nfs/dbraw/zinc/19/99/51/572199951.db2.gz FZVFBRMINZCART-SSDOTTSWSA-N 0 3 186.280 1.516 10 0 ADAEHN c1nocc1CN[C@@H]1CCSC1 686231077 572200036 /nfs/dbraw/zinc/20/00/36/572200036.db2.gz XYZJYKWVSUFSET-MRVPVSSYSA-N 0 3 184.264 1.270 10 0 ADAEHN CCCC[C@@H](CC)C[C@H](N)C(N)=O 83144451 572200065 /nfs/dbraw/zinc/20/00/65/572200065.db2.gz RNOGVTRYOHMXHM-BDAKNGLRSA-N 0 3 186.299 1.406 10 0 ADAEHN CCn1ccnc1[C@@H](NC)C1CCC1 83121984 572200995 /nfs/dbraw/zinc/20/09/95/572200995.db2.gz JGACCQNLFCZVGS-JTQLQIEISA-N 0 3 193.294 1.964 10 0 ADAEHN CCNCc1ccnc(C2CCC2)n1 83136471 572200092 /nfs/dbraw/zinc/20/00/92/572200092.db2.gz XPOQJNBXMGOGHH-UHFFFAOYSA-N 0 3 191.278 1.854 10 0 ADAEHN CC[C@](N)(COC)c1ccc(C)nc1 70623942 572200106 /nfs/dbraw/zinc/20/01/06/572200106.db2.gz HLZJTZHZDOPWFW-NSHDSACASA-N 0 3 194.278 1.600 10 0 ADAEHN CC[C@@](N)(COC)c1ccc(C)nc1 70623941 572200116 /nfs/dbraw/zinc/20/01/16/572200116.db2.gz HLZJTZHZDOPWFW-LLVKDONJSA-N 0 3 194.278 1.600 10 0 ADAEHN NCc1c[nH]c([C@@H]2Cc3ccccc32)n1 83136732 572200170 /nfs/dbraw/zinc/20/01/70/572200170.db2.gz KXYHTEGBMOBFKX-LLVKDONJSA-N 0 3 199.257 1.556 10 0 ADAEHN CSC[C@H](C)NCc1cnoc1 686230412 572200231 /nfs/dbraw/zinc/20/02/31/572200231.db2.gz FZVFBRMINZCART-ZETCQYMHSA-N 0 3 186.280 1.516 10 0 ADAEHN CCC1(CNCc2cnoc2)CC1 686231000 572200255 /nfs/dbraw/zinc/20/02/55/572200255.db2.gz STKSTNZYDQXIRW-UHFFFAOYSA-N 0 3 180.251 1.954 10 0 ADAEHN CN(CCON)Cc1ccccc1 19785839 572200263 /nfs/dbraw/zinc/20/02/63/572200263.db2.gz FGNALLFGZXEWQE-UHFFFAOYSA-N 0 3 180.251 1.009 10 0 ADAEHN O[C@H](CN1CCCC1)c1ccco1 19784860 572200286 /nfs/dbraw/zinc/20/02/86/572200286.db2.gz YZLHPFMYFGJWFP-SECBINFHSA-N 0 3 181.235 1.409 10 0 ADAEHN CCN[C@H](c1nccn1C)C1CCC1 83122179 572200291 /nfs/dbraw/zinc/20/02/91/572200291.db2.gz SWFZIBZNEPBRBX-JTQLQIEISA-N 0 3 193.294 1.871 10 0 ADAEHN O[C@H](CN1CCCC1)c1cccs1 19784862 572200349 /nfs/dbraw/zinc/20/03/49/572200349.db2.gz DXZBOOCWLMKUFW-SECBINFHSA-N 0 3 197.303 1.877 10 0 ADAEHN CCCC[C@@H](CC)C[C@@H](N)C(N)=O 83144454 572200417 /nfs/dbraw/zinc/20/04/17/572200417.db2.gz RNOGVTRYOHMXHM-RKDXNWHRSA-N 0 3 186.299 1.406 10 0 ADAEHN CCNCc1c[nH]c(C2CCC2)n1 83136749 572200540 /nfs/dbraw/zinc/20/05/40/572200540.db2.gz PDUDIAKWNHCKOI-UHFFFAOYSA-N 0 3 179.267 1.787 10 0 ADAEHN CCNCc1cnc(C2CCC2)[nH]1 83136749 572200543 /nfs/dbraw/zinc/20/05/43/572200543.db2.gz PDUDIAKWNHCKOI-UHFFFAOYSA-N 0 3 179.267 1.787 10 0 ADAEHN CCN[C@@H](c1cnccn1)C1CCC1 83122220 572200548 /nfs/dbraw/zinc/20/05/48/572200548.db2.gz XHUYQNPPCPEDJI-LLVKDONJSA-N 0 3 191.278 1.927 10 0 ADAEHN CN(C)C[C@@H](NC=O)c1ccccc1 83145049 572200563 /nfs/dbraw/zinc/20/05/63/572200563.db2.gz BCRPTFUCTQQQKJ-LLVKDONJSA-N 0 3 192.262 1.035 10 0 ADAEHN C[C@@H](NCc1cnoc1)[C@@H]1CCOC1 687793320 572200578 /nfs/dbraw/zinc/20/05/78/572200578.db2.gz AIUWCOBZUODRQZ-PSASIEDQSA-N 0 3 196.250 1.189 10 0 ADAEHN c1nc(C2CCC2)[nH]c1CNC1CC1 83136759 572200600 /nfs/dbraw/zinc/20/06/00/572200600.db2.gz XHTOBWHVMFSLQU-UHFFFAOYSA-N 0 3 191.278 1.929 10 0 ADAEHN C[C@@H](NCc1cnoc1)[C@H]1CCOC1 687793321 572200621 /nfs/dbraw/zinc/20/06/21/572200621.db2.gz AIUWCOBZUODRQZ-SCZZXKLOSA-N 0 3 196.250 1.189 10 0 ADAEHN CN(C)CCOc1cccc(F)c1 70234384 572200649 /nfs/dbraw/zinc/20/06/49/572200649.db2.gz CXWVYSKIIHOLMC-UHFFFAOYSA-N 0 3 183.226 1.766 10 0 ADAEHN CN(C)C[C@H](O)c1ccc(Cl)cc1 19784782 572200654 /nfs/dbraw/zinc/20/06/54/572200654.db2.gz JVVMFJDNIBZNOE-JTQLQIEISA-N 0 3 199.681 1.935 10 0 ADAEHN CN(C)C[C@H](NC=O)c1ccccc1 83145047 572200754 /nfs/dbraw/zinc/20/07/54/572200754.db2.gz BCRPTFUCTQQQKJ-NSHDSACASA-N 0 3 192.262 1.035 10 0 ADAEHN C[C@H](NCc1cnoc1)[C@@H]1CCOC1 687793325 572200820 /nfs/dbraw/zinc/20/08/20/572200820.db2.gz 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/nfs/dbraw/zinc/22/13/72/572221372.db2.gz GQBOGXIKEZTUFF-UHFFFAOYSA-N 0 3 191.209 1.902 10 0 ADAEHN CCCC[C@@H]1CNC[C@H](CC)O1 83472703 572224903 /nfs/dbraw/zinc/22/49/03/572224903.db2.gz ORPYYBSHIXAUIU-VHSXEESVSA-N 0 3 171.284 1.944 10 0 ADAEHN CCOC[C@@H]1CNC[C@](C)(CC)O1 83460382 572221685 /nfs/dbraw/zinc/22/16/85/572221685.db2.gz CWJXVVMTBFLYPN-UWVGGRQHSA-N 0 3 187.283 1.180 10 0 ADAEHN CC(C)(N)c1nc2cc(F)ccc2[nH]1 20440818 572221699 /nfs/dbraw/zinc/22/16/99/572221699.db2.gz OAAUYRRXXMKMGE-UHFFFAOYSA-N 0 3 193.225 1.896 10 0 ADAEHN CN1CCNC[C@@H]1c1cccc(F)c1 20439711 572221753 /nfs/dbraw/zinc/22/17/53/572221753.db2.gz GEEUBVLVOYLTKL-LLVKDONJSA-N 0 3 194.253 1.402 10 0 ADAEHN Cc1nn(C)c(N(C)C(C)C)c1CN 20469681 572221924 /nfs/dbraw/zinc/22/19/24/572221924.db2.gz RJHGRTFMNWDPPM-UHFFFAOYSA-N 0 3 196.298 1.032 10 0 ADAEHN CCC1(CC)CNC[C@@H](COC)O1 83460526 572222098 /nfs/dbraw/zinc/22/20/98/572222098.db2.gz XOYZOSNOIODCPV-VIFPVBQESA-N 0 3 187.283 1.180 10 0 ADAEHN C[C@H](N)c1cnc(N2CCCC2)s1 20441125 572222163 /nfs/dbraw/zinc/22/21/63/572222163.db2.gz SLOFUBOKNNQPIN-ZETCQYMHSA-N 0 3 197.307 1.763 10 0 ADAEHN CCC1(CC)CNC[C@H](COC)O1 83460524 572222260 /nfs/dbraw/zinc/22/22/60/572222260.db2.gz XOYZOSNOIODCPV-SECBINFHSA-N 0 3 187.283 1.180 10 0 ADAEHN CCOC[C@H]1CNC[C@@](C)(CC)O1 83460375 572222382 /nfs/dbraw/zinc/22/23/82/572222382.db2.gz CWJXVVMTBFLYPN-NXEZZACHSA-N 0 3 187.283 1.180 10 0 ADAEHN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(N)C(N)=O 37870565 572223832 /nfs/dbraw/zinc/22/38/32/572223832.db2.gz FUBKPNAWJQWSJO-QXEWZRGKSA-N 0 3 198.310 1.261 10 0 ADAEHN C[C@H](N)c1cnc(N(C)C)s1 20441117 572222718 /nfs/dbraw/zinc/22/27/18/572222718.db2.gz LYHXJQQREZGQOM-YFKPBYRVSA-N 0 3 171.269 1.229 10 0 ADAEHN CC[C@@H]1CNC[C@](C)(CCOC)O1 83472511 572223848 /nfs/dbraw/zinc/22/38/48/572223848.db2.gz KHRXNQRCOWNWAP-ZJUUUORDSA-N 0 3 187.283 1.180 10 0 ADAEHN Cc1nc(CN)c2ccccc2n1 20446586 572222942 /nfs/dbraw/zinc/22/29/42/572222942.db2.gz LWVAWMITKLQRPH-UHFFFAOYSA-N 0 3 173.219 1.397 10 0 ADAEHN CC[C@H](C)[C@@H](NN)C(C)(C)N(C)C 229340039 572223852 /nfs/dbraw/zinc/22/38/52/572223852.db2.gz CTBJESAUQHOZHA-DTWKUNHWSA-N 0 3 187.331 1.205 10 0 ADAEHN CNCc1cncnc1N(C)C(C)C 300986777 572223254 /nfs/dbraw/zinc/22/32/54/572223254.db2.gz ZLTHPLHLBGUDKM-UHFFFAOYSA-N 0 3 194.282 1.041 10 0 ADAEHN CC[C@@H]1CNC[C@](CC)(COC)O1 83472637 572223329 /nfs/dbraw/zinc/22/33/29/572223329.db2.gz UNOBMGIZCPPZLW-NXEZZACHSA-N 0 3 187.283 1.180 10 0 ADAEHN CCCC[C@@H]1CNC[C@@H](CC)O1 83472706 572223348 /nfs/dbraw/zinc/22/33/48/572223348.db2.gz ORPYYBSHIXAUIU-NXEZZACHSA-N 0 3 171.284 1.944 10 0 ADAEHN CC(C)c1nc(CN)cn1C 20439146 572223390 /nfs/dbraw/zinc/22/33/90/572223390.db2.gz HLTTVDBHMWNVBD-UHFFFAOYSA-N 0 3 153.229 1.002 10 0 ADAEHN CCCC[C@]1(CC)CNCCO1 83471395 572223405 /nfs/dbraw/zinc/22/34/05/572223405.db2.gz YSYXQSSFYSURPI-SNVBAGLBSA-N 0 3 171.284 1.945 10 0 ADAEHN CC[C@H]1CNC[C@@](CC)(COC)O1 83472632 572223437 /nfs/dbraw/zinc/22/34/37/572223437.db2.gz UNOBMGIZCPPZLW-UWVGGRQHSA-N 0 3 187.283 1.180 10 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171.284 1.944 10 0 ADAEHN Cc1nn(C)c(OC(C)(C)C)c1CN 20517734 572224154 /nfs/dbraw/zinc/22/41/54/572224154.db2.gz VLEHZKXHCUQRGR-UHFFFAOYSA-N 0 3 197.282 1.365 10 0 ADAEHN CC(C)[C@H](C)NC1=NCCS1 20586277 572224874 /nfs/dbraw/zinc/22/48/74/572224874.db2.gz IYMLSBUKKZYMEG-ZETCQYMHSA-N 0 3 172.297 1.723 10 0 ADAEHN CCC(O)(CC)CNc1nccn1C 83466677 572224299 /nfs/dbraw/zinc/22/42/99/572224299.db2.gz WUHOWLQZAWGUOL-UHFFFAOYSA-N 0 3 197.282 1.383 10 0 ADAEHN CC[C@@H]1CNC[C@@](C)(CCOC)O1 83472506 572224335 /nfs/dbraw/zinc/22/43/35/572224335.db2.gz KHRXNQRCOWNWAP-NXEZZACHSA-N 0 3 187.283 1.180 10 0 ADAEHN CCC[C@H](C)Oc1ncncc1CN 300985487 572224521 /nfs/dbraw/zinc/22/45/21/572224521.db2.gz ZFUPWOSJMGVTLF-QMMMGPOBSA-N 0 3 195.266 1.503 10 0 ADAEHN CC[C@H]1CNC[C@](CC)(COC)O1 83472638 572224541 /nfs/dbraw/zinc/22/45/41/572224541.db2.gz UNOBMGIZCPPZLW-VHSXEESVSA-N 0 3 187.283 1.180 10 0 ADAEHN CCSC[C@H](O)c1cnccc1N 83484731 572224619 /nfs/dbraw/zinc/22/46/19/572224619.db2.gz LDUDEWUOABBJBG-VIFPVBQESA-N 0 3 198.291 1.450 10 0 ADAEHN CCCCCC[C@H]1CNCCO1 83471197 572224628 /nfs/dbraw/zinc/22/46/28/572224628.db2.gz OJVJRKQAIQPKKD-JTQLQIEISA-N 0 3 171.284 1.945 10 0 ADAEHN CC[C@H]1CNC[C@@](C)(CCOC)O1 83472508 572225069 /nfs/dbraw/zinc/22/50/69/572225069.db2.gz KHRXNQRCOWNWAP-VHSXEESVSA-N 0 3 187.283 1.180 10 0 ADAEHN CCSC[C@H](N)c1ccnn1C 83485181 572226512 /nfs/dbraw/zinc/22/65/12/572226512.db2.gz MBCBCKPGUSYSJK-ZETCQYMHSA-N 0 3 185.296 1.173 10 0 ADAEHN CCSC[C@@H](O)c1cnccc1N 83484732 572225098 /nfs/dbraw/zinc/22/50/98/572225098.db2.gz LDUDEWUOABBJBG-SECBINFHSA-N 0 3 198.291 1.450 10 0 ADAEHN CCCCC[C@@H]1CNC[C@H](C)O1 83471887 572225244 /nfs/dbraw/zinc/22/52/44/572225244.db2.gz VQBBWXOHEAJWBP-VHSXEESVSA-N 0 3 171.284 1.944 10 0 ADAEHN CCSCc1nc(CNC)c[nH]1 83486237 572226516 /nfs/dbraw/zinc/22/65/16/572226516.db2.gz KJDOMBWDIWYEEX-UHFFFAOYSA-N 0 3 185.296 1.382 10 0 ADAEHN CCSCc1ncc(CNC)[nH]1 83486237 572226518 /nfs/dbraw/zinc/22/65/18/572226518.db2.gz KJDOMBWDIWYEEX-UHFFFAOYSA-N 0 3 185.296 1.382 10 0 ADAEHN CC[C@@H]1CN(CCC(C)=O)CCCO1 300989661 572225389 /nfs/dbraw/zinc/22/53/89/572225389.db2.gz ZXEUBHFVVDNMAZ-LLVKDONJSA-N 0 3 199.294 1.466 10 0 ADAEHN CC[C@@H](C)NC1=NCCS1 20586294 572225438 /nfs/dbraw/zinc/22/54/38/572225438.db2.gz XSXJUEFRPXENAR-ZCFIWIBFSA-N 0 3 158.270 1.477 10 0 ADAEHN CCSC[C@@H](N)c1cnccc1N 83485030 572225463 /nfs/dbraw/zinc/22/54/63/572225463.db2.gz LDBSGMBATVEXQJ-SECBINFHSA-N 0 3 197.307 1.417 10 0 ADAEHN CCCSCc1nccc(CN)n1 83487998 572225495 /nfs/dbraw/zinc/22/54/95/572225495.db2.gz WAWGFXCINAOUIF-UHFFFAOYSA-N 0 3 197.307 1.579 10 0 ADAEHN CCSC[C@H](NC)c1cncnc1 83485489 572225540 /nfs/dbraw/zinc/22/55/40/572225540.db2.gz UZUQFPDTJWBQHJ-VIFPVBQESA-N 0 3 197.307 1.490 10 0 ADAEHN CCSC[C@H](N)c1cccnc1 83485307 572225603 /nfs/dbraw/zinc/22/56/03/572225603.db2.gz UWGYUQUUQDGALO-VIFPVBQESA-N 0 3 182.292 1.835 10 0 ADAEHN CCCSC[C@H](N)c1cncnc1 83487285 572225624 /nfs/dbraw/zinc/22/56/24/572225624.db2.gz UOTZRXQCFMXUTL-VIFPVBQESA-N 0 3 197.307 1.620 10 0 ADAEHN CCCNc1nc(C)cc(CNC)n1 300988727 572225738 /nfs/dbraw/zinc/22/57/38/572225738.db2.gz ZTHSAFGUWRDZIQ-UHFFFAOYSA-N 0 3 194.282 1.326 10 0 ADAEHN CCSCc1nccc(CNC)n1 83486161 572225805 /nfs/dbraw/zinc/22/58/05/572225805.db2.gz XZSRJTBAAMIFPQ-UHFFFAOYSA-N 0 3 197.307 1.449 10 0 ADAEHN CCSC[C@@H](NC)c1cnn(C)c1 83485424 572225820 /nfs/dbraw/zinc/22/58/20/572225820.db2.gz VDLGWPZMWZVJJL-SECBINFHSA-N 0 3 199.323 1.434 10 0 ADAEHN CCSC[C@H](N)c1cncnc1 83485197 572225863 /nfs/dbraw/zinc/22/58/63/572225863.db2.gz CWGBCDHYHVBCCN-QMMMGPOBSA-N 0 3 183.280 1.230 10 0 ADAEHN CCCSC[C@@H](N)c1ccnn1C 83487272 572225879 /nfs/dbraw/zinc/22/58/79/572225879.db2.gz DSDONVVLIGMMGP-MRVPVSSYSA-N 0 3 199.323 1.563 10 0 ADAEHN CCCSC[C@@H](N)c1cnn(C)c1 83487222 572225918 /nfs/dbraw/zinc/22/59/18/572225918.db2.gz ISJXDOGHKMSYGO-SECBINFHSA-N 0 3 199.323 1.563 10 0 ADAEHN CC(C)N1CC2(CC(F)C2)C1 687797458 572225934 /nfs/dbraw/zinc/22/59/34/572225934.db2.gz AXVRAMYGAAEQBT-UHFFFAOYSA-N 0 3 157.232 1.829 10 0 ADAEHN CC(C)[C@@H](C)NC1=NCCS1 20586276 572225973 /nfs/dbraw/zinc/22/59/73/572225973.db2.gz IYMLSBUKKZYMEG-SSDOTTSWSA-N 0 3 172.297 1.723 10 0 ADAEHN CCSCc1nc(C)cc(CN)n1 83486169 572226041 /nfs/dbraw/zinc/22/60/41/572226041.db2.gz YGRXNYZSZIGFFV-UHFFFAOYSA-N 0 3 197.307 1.497 10 0 ADAEHN CCSC[C@H](N)c1cnccc1N 83485029 572226058 /nfs/dbraw/zinc/22/60/58/572226058.db2.gz LDBSGMBATVEXQJ-VIFPVBQESA-N 0 3 197.307 1.417 10 0 ADAEHN CCNCc1c[nH]c(CSCC)n1 83486238 572226080 /nfs/dbraw/zinc/22/60/80/572226080.db2.gz PTHFFFWFAPBGAR-UHFFFAOYSA-N 0 3 199.323 1.772 10 0 ADAEHN CCNCc1cnc(CSCC)[nH]1 83486238 572226083 /nfs/dbraw/zinc/22/60/83/572226083.db2.gz PTHFFFWFAPBGAR-UHFFFAOYSA-N 0 3 199.323 1.772 10 0 ADAEHN CCSC[C@H](N)c1cnn(C)c1 83485121 572226143 /nfs/dbraw/zinc/22/61/43/572226143.db2.gz AIQJOZOQQWONDD-QMMMGPOBSA-N 0 3 185.296 1.173 10 0 ADAEHN CC[C@@H](NC)c1cc(OC)n(C)n1 300990859 572227943 /nfs/dbraw/zinc/22/79/43/572227943.db2.gz VCGULOXSYGEJML-SSDOTTSWSA-N 0 3 183.255 1.099 10 0 ADAEHN 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CCCN[C@H](CCC)c1nc[nH]n1 83746921 572385391 /nfs/dbraw/zinc/38/53/91/572385391.db2.gz GDWXQRVNUDOVKG-MRVPVSSYSA-N 0 3 182.271 1.646 10 0 ADAEHN CCCCC[C@@H](NC)c1nc[nH]n1 83746440 572385434 /nfs/dbraw/zinc/38/54/34/572385434.db2.gz BERRSMQDMKOOEU-MRVPVSSYSA-N 0 3 182.271 1.646 10 0 ADAEHN CCCCC[C@@H](NC)c1nnc[nH]1 83746440 572385438 /nfs/dbraw/zinc/38/54/38/572385438.db2.gz BERRSMQDMKOOEU-MRVPVSSYSA-N 0 3 182.271 1.646 10 0 ADAEHN CCN[C@H](C[C@@H](C)CC)c1nc[nH]n1 83746743 572385462 /nfs/dbraw/zinc/38/54/62/572385462.db2.gz AYDBBSOXCRFAPJ-DTWKUNHWSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC[C@@H](NCC)c1nc[nH]n1 83746815 572385531 /nfs/dbraw/zinc/38/55/31/572385531.db2.gz DDVIQRZYZLMRNR-SSDOTTSWSA-N 0 3 168.244 1.255 10 0 ADAEHN CCC[C@@H](NCC)c1nnc[nH]1 83746815 572385533 /nfs/dbraw/zinc/38/55/33/572385533.db2.gz DDVIQRZYZLMRNR-SSDOTTSWSA-N 0 3 168.244 1.255 10 0 ADAEHN [NH3+]CCCc1c(F)ccc([O-])c1F 44280757 572385542 /nfs/dbraw/zinc/38/55/42/572385542.db2.gz HZQGWXZLCRXYLJ-UHFFFAOYSA-N 0 3 187.189 1.562 10 0 ADAEHN CC(C)CC[C@H](N)c1nc[nH]n1 83746144 572385586 /nfs/dbraw/zinc/38/55/86/572385586.db2.gz RECQWQBDIJOTBB-ZETCQYMHSA-N 0 3 168.244 1.241 10 0 ADAEHN CC(C)CC[C@H](N)c1nnc[nH]1 83746144 572385588 /nfs/dbraw/zinc/38/55/88/572385588.db2.gz RECQWQBDIJOTBB-ZETCQYMHSA-N 0 3 168.244 1.241 10 0 ADAEHN CCCN[C@@H](CC1CC1)c1nc[nH]n1 83746918 572385616 /nfs/dbraw/zinc/38/56/16/572385616.db2.gz UGCMUWOETZMEMS-VIFPVBQESA-N 0 3 194.282 1.646 10 0 ADAEHN N[C@@H](CCC(F)(F)F)c1nc[nH]n1 83746191 572385663 /nfs/dbraw/zinc/38/56/63/572385663.db2.gz YXAAHCVYQFBYPC-BYPYZUCNSA-N 0 3 194.160 1.147 10 0 ADAEHN N[C@@H](CCC(F)(F)F)c1nnc[nH]1 83746191 572385667 /nfs/dbraw/zinc/38/56/67/572385667.db2.gz YXAAHCVYQFBYPC-BYPYZUCNSA-N 0 3 194.160 1.147 10 0 ADAEHN CCC[C@@H](C)C[C@H](N)c1nc[nH]n1 83746323 572387207 /nfs/dbraw/zinc/38/72/07/572387207.db2.gz ZSGRMXNEUFTEHE-SFYZADRCSA-N 0 3 182.271 1.631 10 0 ADAEHN CCC[C@@H](C)C[C@H](N)c1nnc[nH]1 83746323 572387209 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CCC[C@H](C)C[C@H](NC)c1nc[nH]n1 83746605 572385930 /nfs/dbraw/zinc/38/59/30/572385930.db2.gz AUAXVVZPTPLSRK-IUCAKERBSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC[C@H](C)C[C@H](NC)c1nnc[nH]1 83746605 572385933 /nfs/dbraw/zinc/38/59/33/572385933.db2.gz AUAXVVZPTPLSRK-IUCAKERBSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC[C@@H](C)C[C@@H](NC)c1nc[nH]n1 83746606 572385949 /nfs/dbraw/zinc/38/59/49/572385949.db2.gz AUAXVVZPTPLSRK-RKDXNWHRSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC[C@@H](C)C[C@@H](NC)c1nnc[nH]1 83746606 572385953 /nfs/dbraw/zinc/38/59/53/572385953.db2.gz AUAXVVZPTPLSRK-RKDXNWHRSA-N 0 3 196.298 1.892 10 0 ADAEHN CCN[C@H](CC1CC1)c1nc[nH]n1 83746813 572385989 /nfs/dbraw/zinc/38/59/89/572385989.db2.gz OLBNBIMJSMYVPA-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN CC[C@H](C)C[C@H](N)c1nc[nH]n1 83746181 572387217 /nfs/dbraw/zinc/38/72/17/572387217.db2.gz ISHLMRRIJAKRPX-BQBZGAKWSA-N 0 3 168.244 1.241 10 0 ADAEHN CC[C@H](C)C[C@H](N)c1nnc[nH]1 83746181 572387218 /nfs/dbraw/zinc/38/72/18/572387218.db2.gz ISHLMRRIJAKRPX-BQBZGAKWSA-N 0 3 168.244 1.241 10 0 ADAEHN CN[C@@H](CC1CCCC1)c1nc[nH]n1 83746489 572386038 /nfs/dbraw/zinc/38/60/38/572386038.db2.gz DFLWRKIJRUTBAX-VIFPVBQESA-N 0 3 194.282 1.646 10 0 ADAEHN CN[C@@H](CC1CCCC1)c1nnc[nH]1 83746489 572386042 /nfs/dbraw/zinc/38/60/42/572386042.db2.gz DFLWRKIJRUTBAX-VIFPVBQESA-N 0 3 194.282 1.646 10 0 ADAEHN CCC[C@H](C)C[C@@H](NC)c1nc[nH]n1 83746607 572386142 /nfs/dbraw/zinc/38/61/42/572386142.db2.gz AUAXVVZPTPLSRK-DTWKUNHWSA-N 0 3 196.298 1.892 10 0 ADAEHN CCC[C@H](C)C[C@@H](NC)c1nnc[nH]1 83746607 572386147 /nfs/dbraw/zinc/38/61/47/572386147.db2.gz AUAXVVZPTPLSRK-DTWKUNHWSA-N 0 3 196.298 1.892 10 0 ADAEHN CCCN[C@H](CC(C)C)c1nc[nH]n1 83746879 572386162 /nfs/dbraw/zinc/38/61/62/572386162.db2.gz KOSSLGPSNBEZOO-SECBINFHSA-N 0 3 196.298 1.892 10 0 ADAEHN CN[C@@H](CC(C)C)c1nc[nH]n1 83746511 572386192 /nfs/dbraw/zinc/38/61/92/572386192.db2.gz OECRNDPPHMMKHZ-ZETCQYMHSA-N 0 3 168.244 1.111 10 0 ADAEHN CN[C@@H](CC(C)C)c1nnc[nH]1 83746511 572386194 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CCCCC[C@H](NC)c1nc[nH]n1 83746439 572386505 /nfs/dbraw/zinc/38/65/05/572386505.db2.gz BERRSMQDMKOOEU-QMMMGPOBSA-N 0 3 182.271 1.646 10 0 ADAEHN CCCN[C@@H](c1nc[nH]n1)C1CC1 83746916 572386518 /nfs/dbraw/zinc/38/65/18/572386518.db2.gz KTMQIOMLKYDYLC-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN CCCN[C@@H](CC(C)C)c1nc[nH]n1 83746878 572386532 /nfs/dbraw/zinc/38/65/32/572386532.db2.gz KOSSLGPSNBEZOO-VIFPVBQESA-N 0 3 196.298 1.892 10 0 ADAEHN CC[C@H](C)C[C@H](NC)c1nc[nH]n1 83746486 572386596 /nfs/dbraw/zinc/38/65/96/572386596.db2.gz PLSTZJYLTANWGA-YUMQZZPRSA-N 0 3 182.271 1.501 10 0 ADAEHN CC[C@H](C)C[C@H](NC)c1nnc[nH]1 83746486 572386604 /nfs/dbraw/zinc/38/66/04/572386604.db2.gz PLSTZJYLTANWGA-YUMQZZPRSA-N 0 3 182.271 1.501 10 0 ADAEHN CC[C@@H](C)C[C@H](N)c1nc[nH]n1 83746180 572386626 /nfs/dbraw/zinc/38/66/26/572386626.db2.gz ISHLMRRIJAKRPX-RQJHMYQMSA-N 0 3 168.244 1.241 10 0 ADAEHN CC[C@@H](C)C[C@H](N)c1nnc[nH]1 83746180 572386630 /nfs/dbraw/zinc/38/66/30/572386630.db2.gz ISHLMRRIJAKRPX-RQJHMYQMSA-N 0 3 168.244 1.241 10 0 ADAEHN CCCP(C[C@H](C)O)C[C@H](C)O 238226223 572387226 /nfs/dbraw/zinc/38/72/26/572387226.db2.gz DFHPXTTUWKXWOP-IUCAKERBSA-N 0 3 192.239 1.640 10 0 ADAEHN CN[C@@H](CCC(C)(C)C)c1nc[nH]n1 83746461 572386728 /nfs/dbraw/zinc/38/67/28/572386728.db2.gz YCNPIMVAYCLTBY-QMMMGPOBSA-N 0 3 196.298 1.892 10 0 ADAEHN CN[C@@H](CCC(C)(C)C)c1nnc[nH]1 83746461 572386733 /nfs/dbraw/zinc/38/67/33/572386733.db2.gz YCNPIMVAYCLTBY-QMMMGPOBSA-N 0 3 196.298 1.892 10 0 ADAEHN CCN[C@@H](c1nc[nH]n1)C1CCCC1 83746830 572386806 /nfs/dbraw/zinc/38/68/06/572386806.db2.gz NPKLOFRAFKWOCZ-SECBINFHSA-N 0 3 194.282 1.646 10 0 ADAEHN CCCCC[C@H](N)c1nc[nH]n1 83746130 572387193 /nfs/dbraw/zinc/38/71/93/572387193.db2.gz NUPHDFKACQTTAH-ZETCQYMHSA-N 0 3 168.244 1.385 10 0 ADAEHN CCCCC[C@H](N)c1nnc[nH]1 83746130 572387195 /nfs/dbraw/zinc/38/71/95/572387195.db2.gz NUPHDFKACQTTAH-ZETCQYMHSA-N 0 3 168.244 1.385 10 0 ADAEHN [NH3+]CCCc1c(F)cc([O-])cc1F 44282779 572386879 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10 0 ADAEHN CCCN[C@H](CC1CC1)c1nc[nH]n1 83746919 572387488 /nfs/dbraw/zinc/38/74/88/572387488.db2.gz UGCMUWOETZMEMS-SECBINFHSA-N 0 3 194.282 1.646 10 0 ADAEHN CCCC[C@@H](NC)c1nc[nH]n1 83746438 572387613 /nfs/dbraw/zinc/38/76/13/572387613.db2.gz KACGZMSOPXOFKQ-SSDOTTSWSA-N 0 3 168.244 1.255 10 0 ADAEHN CCCC[C@@H](NC)c1nnc[nH]1 83746438 572387618 /nfs/dbraw/zinc/38/76/18/572387618.db2.gz KACGZMSOPXOFKQ-SSDOTTSWSA-N 0 3 168.244 1.255 10 0 ADAEHN CCCC[C@H](NCC)c1nc[nH]n1 83746696 572387628 /nfs/dbraw/zinc/38/76/28/572387628.db2.gz KWYUDTGSKXYJNA-QMMMGPOBSA-N 0 3 182.271 1.646 10 0 ADAEHN CCCC[C@H](NCC)c1nnc[nH]1 83746696 572387632 /nfs/dbraw/zinc/38/76/32/572387632.db2.gz KWYUDTGSKXYJNA-QMMMGPOBSA-N 0 3 182.271 1.646 10 0 ADAEHN CCC(=O)[C@@H](CN(C)C)C(C)C 238224921 572387776 /nfs/dbraw/zinc/38/77/76/572387776.db2.gz ACNCCLYJEBKWOZ-VIFPVBQESA-N 0 3 171.284 1.799 10 0 ADAEHN CCCCCC[C@H](O)N(C)CCO 238224995 572388125 /nfs/dbraw/zinc/38/81/25/572388125.db2.gz CJFBNLJPZSTRGQ-JTQLQIEISA-N 0 3 189.299 1.199 10 0 ADAEHN C[C@H](N)c1cnccc1Cl 83591325 572388287 /nfs/dbraw/zinc/38/82/87/572388287.db2.gz XDCQXCLPSJSROP-YFKPBYRVSA-N 0 3 156.616 1.755 10 0 ADAEHN COCOc1ccccc1[C@H](C)N 83748464 572388373 /nfs/dbraw/zinc/38/83/73/572388373.db2.gz DIVYNHJLWBMYDK-QMMMGPOBSA-N 0 3 181.235 1.689 10 0 ADAEHN CCCP(C[C@H](C)O)C[C@@H](C)O 238226212 572388465 /nfs/dbraw/zinc/38/84/65/572388465.db2.gz DFHPXTTUWKXWOP-USUYBEQLSA-N 0 3 192.239 1.640 10 0 ADAEHN COCOc1cccc(F)c1CN 83748303 572388573 /nfs/dbraw/zinc/38/85/73/572388573.db2.gz VGCLTGNSMIOEBC-UHFFFAOYSA-N 0 3 185.198 1.267 10 0 ADAEHN C[C@@H](O)CN(C)Cc1ccc(O)cc1 87182645 572388894 /nfs/dbraw/zinc/38/88/94/572388894.db2.gz WPDOPXAEUDDNEE-SECBINFHSA-N 0 3 195.262 1.205 10 0 ADAEHN CN[C@@H](C)c1ccccc1OCOC 83748623 572388804 /nfs/dbraw/zinc/38/88/04/572388804.db2.gz ZAVGVEKVBZGJFE-VIFPVBQESA-N 0 3 195.262 1.950 10 0 ADAEHN CNCc1cc(C)ccc1OCOC 83748853 572388814 /nfs/dbraw/zinc/38/88/14/572388814.db2.gz AIPOBEOUYFSDGY-UHFFFAOYSA-N 0 3 195.262 1.697 10 0 ADAEHN COCOc1cc(F)ccc1[C@@H](C)N 83748811 572388878 /nfs/dbraw/zinc/38/88/78/572388878.db2.gz UXCHPMZQPYQPGG-SSDOTTSWSA-N 0 3 199.225 1.828 10 0 ADAEHN COCOc1cc(F)ccc1[C@H](C)N 83748809 572389191 /nfs/dbraw/zinc/38/91/91/572389191.db2.gz UXCHPMZQPYQPGG-ZETCQYMHSA-N 0 3 199.225 1.828 10 0 ADAEHN CCOCn1ccnc1CNC(C)C 83756355 572389357 /nfs/dbraw/zinc/38/93/57/572389357.db2.gz XUJSFDIEGSECIF-UHFFFAOYSA-N 0 3 197.282 1.375 10 0 ADAEHN CCCCC(=O)[C@@H](C)CN(C)C 238226511 572389517 /nfs/dbraw/zinc/38/95/17/572389517.db2.gz ONNJHHKHLWTCOX-VIFPVBQESA-N 0 3 171.284 1.943 10 0 ADAEHN CCOCn1nc(C)c(CNC)c1C 83756346 572389663 /nfs/dbraw/zinc/38/96/63/572389663.db2.gz PRSMCFFJSXMGKO-UHFFFAOYSA-N 0 3 197.282 1.213 10 0 ADAEHN CCNCc1c(C)nn(COC)c1C 83749194 572389709 /nfs/dbraw/zinc/38/97/09/572389709.db2.gz VIHDQUFVQXNHAA-UHFFFAOYSA-N 0 3 197.282 1.213 10 0 ADAEHN C[C@H](NCC1(C)COC1)c1cc[nH]n1 87197229 572389795 /nfs/dbraw/zinc/38/97/95/572389795.db2.gz AQYRLFWOUXNSNV-QMMMGPOBSA-N 0 3 195.266 1.097 10 0 ADAEHN COCOc1ccc(OC)cc1CN 83748502 572389900 /nfs/dbraw/zinc/38/99/00/572389900.db2.gz FSKXAPRDWNEPJX-UHFFFAOYSA-N 0 3 197.234 1.137 10 0 ADAEHN CCNCc1ccccc1OCOC 83748528 572389974 /nfs/dbraw/zinc/38/99/74/572389974.db2.gz PEPISOHDIIAVSS-UHFFFAOYSA-N 0 3 195.262 1.779 10 0 ADAEHN CCC(CC)CNC1COC1 87195055 572389941 /nfs/dbraw/zinc/38/99/41/572389941.db2.gz FSUXDLXOGYDOKV-UHFFFAOYSA-N 0 3 157.257 1.411 10 0 ADAEHN CCO[C@@H]1C[C@@H](NC2COC2)C1(C)C 87194823 572389953 /nfs/dbraw/zinc/38/99/53/572389953.db2.gz VBMNWBKIHXNSNF-NXEZZACHSA-N 0 3 199.294 1.178 10 0 ADAEHN CCOCOc1ccccc1CN 83755818 572390078 /nfs/dbraw/zinc/39/00/78/572390078.db2.gz CJKVHRVGRUECPE-UHFFFAOYSA-N 0 3 181.235 1.518 10 0 ADAEHN CCCC[C@@H](CC)NC1COC1 87194775 572390481 /nfs/dbraw/zinc/39/04/81/572390481.db2.gz GRIBCSUBHCCZSJ-SECBINFHSA-N 0 3 171.284 1.944 10 0 ADAEHN CCC[C@H]1C[C@H](NC2COC2)CCO1 87194432 572390688 /nfs/dbraw/zinc/39/06/88/572390688.db2.gz OZVHOVOSIQVNDH-KOLCDFICSA-N 0 3 199.294 1.323 10 0 ADAEHN CCC[C@@H]1C[C@@H](NC2COC2)CCO1 87194433 572390693 /nfs/dbraw/zinc/39/06/93/572390693.db2.gz OZVHOVOSIQVNDH-GXSJLCMTSA-N 0 3 199.294 1.323 10 0 ADAEHN CCO[C@H]1C[C@@H](NC2COC2)C1(C)C 87194824 572390700 /nfs/dbraw/zinc/39/07/00/572390700.db2.gz VBMNWBKIHXNSNF-ZJUUUORDSA-N 0 3 199.294 1.178 10 0 ADAEHN CCOCOc1ccc(C)cc1CN 83756039 572390721 /nfs/dbraw/zinc/39/07/21/572390721.db2.gz CYJUDOREIZPHDR-UHFFFAOYSA-N 0 3 195.262 1.827 10 0 ADAEHN CCC[C@@H](C)CNC1COC1 87195066 572390929 /nfs/dbraw/zinc/39/09/29/572390929.db2.gz GHMTWDPNESNEIK-MRVPVSSYSA-N 0 3 157.257 1.411 10 0 ADAEHN COCOc1c(CN)cccc1OC 83748659 572390940 /nfs/dbraw/zinc/39/09/40/572390940.db2.gz NZXLDHCCYZJJJS-UHFFFAOYSA-N 0 3 197.234 1.137 10 0 ADAEHN Cc1c2c(CN)nccc2cn1C 76600847 572390994 /nfs/dbraw/zinc/39/09/94/572390994.db2.gz PMBXLXWCZKNDHX-UHFFFAOYSA-N 0 3 175.235 1.340 10 0 ADAEHN CNCc1ccccc1OCOC 83748526 572391005 /nfs/dbraw/zinc/39/10/05/572391005.db2.gz IDNBVCNEBMTGFM-UHFFFAOYSA-N 0 3 181.235 1.389 10 0 ADAEHN COCOc1cc(OC)ccc1CN 83748707 572391028 /nfs/dbraw/zinc/39/10/28/572391028.db2.gz JXELTQSUIDBBLS-UHFFFAOYSA-N 0 3 197.234 1.137 10 0 ADAEHN CCOCOc1cccc(F)c1CN 83755822 572391140 /nfs/dbraw/zinc/39/11/40/572391140.db2.gz AELHSOJZAJSOIR-UHFFFAOYSA-N 0 3 199.225 1.657 10 0 ADAEHN CCC[C@H]1C[C@@H](NC2COC2)CCO1 87194434 572392943 /nfs/dbraw/zinc/39/29/43/572392943.db2.gz OZVHOVOSIQVNDH-ONGXEEELSA-N 0 3 199.294 1.323 10 0 ADAEHN COCOc1ccc(C)cc1CN 83748851 572391478 /nfs/dbraw/zinc/39/14/78/572391478.db2.gz ZDPNFWOQUGJNAU-UHFFFAOYSA-N 0 3 181.235 1.436 10 0 ADAEHN CCCNCc1nccn1COCC 83756354 572392596 /nfs/dbraw/zinc/39/25/96/572392596.db2.gz KGTCKLPYXQTCLD-UHFFFAOYSA-N 0 3 197.282 1.377 10 0 ADAEHN COC(C)(C)C[C@H](C)NC1COC1 87194542 572393182 /nfs/dbraw/zinc/39/31/82/572393182.db2.gz HSBHVESXIICYQD-QMMMGPOBSA-N 0 3 187.283 1.178 10 0 ADAEHN CCC[C@@H]1C[C@H](NC2COC2)CCO1 87194431 572391591 /nfs/dbraw/zinc/39/15/91/572391591.db2.gz OZVHOVOSIQVNDH-MWLCHTKSSA-N 0 3 199.294 1.323 10 0 ADAEHN CCc1cccc2c(CN)[nH]nc12 76600803 572391673 /nfs/dbraw/zinc/39/16/73/572391673.db2.gz SAVFMKBZOCGRMU-UHFFFAOYSA-N 0 3 175.235 1.584 10 0 ADAEHN CCCCC(=O)[C@H](C)CN(C)C 238228078 572391799 /nfs/dbraw/zinc/39/17/99/572391799.db2.gz ONNJHHKHLWTCOX-SECBINFHSA-N 0 3 171.284 1.943 10 0 ADAEHN COCn1ccnc1CNC(C)(C)C 83749204 572391840 /nfs/dbraw/zinc/39/18/40/572391840.db2.gz QGBACZYJVWLZDF-UHFFFAOYSA-N 0 3 197.282 1.375 10 0 ADAEHN CCCC[C@H](CC)NC1COC1 87194776 572391860 /nfs/dbraw/zinc/39/18/60/572391860.db2.gz GRIBCSUBHCCZSJ-VIFPVBQESA-N 0 3 171.284 1.944 10 0 ADAEHN CCO[C@H]1C[C@H](NC2COC2)C1(C)C 87194822 572391892 /nfs/dbraw/zinc/39/18/92/572391892.db2.gz VBMNWBKIHXNSNF-UWVGGRQHSA-N 0 3 199.294 1.178 10 0 ADAEHN Cn1c(CN)cc2ccc(N)cc21 76600855 572391964 /nfs/dbraw/zinc/39/19/64/572391964.db2.gz IEKRUNYWQARLPK-UHFFFAOYSA-N 0 3 175.235 1.219 10 0 ADAEHN C[C@@H](NCC1(C)COC1)c1cc[nH]n1 87197230 572392007 /nfs/dbraw/zinc/39/20/07/572392007.db2.gz AQYRLFWOUXNSNV-MRVPVSSYSA-N 0 3 195.266 1.097 10 0 ADAEHN CCOCOc1ccccc1CNC 83755964 572392093 /nfs/dbraw/zinc/39/20/93/572392093.db2.gz HZZJMKUQINGNFD-UHFFFAOYSA-N 0 3 195.262 1.779 10 0 ADAEHN Cc1ccc2[nH]nc(CN)c2c1C 76600814 572392140 /nfs/dbraw/zinc/39/21/40/572392140.db2.gz PNRUYNIBYGPFMJ-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN C[C@@H](CNC1COC1)c1ccccc1 87194674 572392249 /nfs/dbraw/zinc/39/22/49/572392249.db2.gz OAFLYDIONDUEQK-JTQLQIEISA-N 0 3 191.274 1.779 10 0 ADAEHN Cc1cc2[nH]nc(CN)c2cc1C 76600812 572392361 /nfs/dbraw/zinc/39/23/61/572392361.db2.gz AAIZYJMPGGSKJZ-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN Cc1ccc(C)c2c(CN)[nH]nc12 76600807 572392489 /nfs/dbraw/zinc/39/24/89/572392489.db2.gz YTLLPHNWZCCZHF-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN CC[C@@H](F)CN(C)C(C)(C)CO 308007490 572392834 /nfs/dbraw/zinc/39/28/34/572392834.db2.gz IORZTJPYVWSWGR-MRVPVSSYSA-N 0 3 177.263 1.437 10 0 ADAEHN COC(C)(C)C[C@@H](C)NC1COC1 87194543 572393278 /nfs/dbraw/zinc/39/32/78/572393278.db2.gz HSBHVESXIICYQD-MRVPVSSYSA-N 0 3 187.283 1.178 10 0 ADAEHN CCCC(CCC)NC1COC1 87194932 572393288 /nfs/dbraw/zinc/39/32/88/572393288.db2.gz BQIWSUSWXPDWIJ-UHFFFAOYSA-N 0 3 171.284 1.944 10 0 ADAEHN CCC[C@@H](N)c1c(N)ccnc1OC 238228045 572393427 /nfs/dbraw/zinc/39/34/27/572393427.db2.gz ADSMPYINQUBWOO-SSDOTTSWSA-N 0 3 195.266 1.472 10 0 ADAEHN CC[C@H](F)CN(C)C(C)(C)CO 308007492 572393433 /nfs/dbraw/zinc/39/34/33/572393433.db2.gz IORZTJPYVWSWGR-QMMMGPOBSA-N 0 3 177.263 1.437 10 0 ADAEHN CCC[C@H](CN(C)C)C(C)=O 238228107 572393463 /nfs/dbraw/zinc/39/34/63/572393463.db2.gz JBCRYQGFMXLMQC-SECBINFHSA-N 0 3 157.257 1.553 10 0 in-vitro ADAEHN O=C1CCNC[C@H]1CCCCF 308007165 572393608 /nfs/dbraw/zinc/39/36/08/572393608.db2.gz DPJQOTPYDNHXFH-MRVPVSSYSA-N 0 3 173.231 1.305 10 0 ADAEHN CCC[C@H](C)CNC1COC1 87195067 572393635 /nfs/dbraw/zinc/39/36/35/572393635.db2.gz GHMTWDPNESNEIK-QMMMGPOBSA-N 0 3 157.257 1.411 10 0 ADAEHN CCCc1nc(CC)c(CNC)o1 238226756 572394452 /nfs/dbraw/zinc/39/44/52/572394452.db2.gz JTFOVSLTOXSYRM-UHFFFAOYSA-N 0 3 182.267 1.909 10 0 ADAEHN O=C1CCNC[C@@H]1CCCCF 308007166 572393740 /nfs/dbraw/zinc/39/37/40/572393740.db2.gz DPJQOTPYDNHXFH-QMMMGPOBSA-N 0 3 173.231 1.305 10 0 ADAEHN C[C@H](CNC1COC1)c1ccccc1 87194675 572393789 /nfs/dbraw/zinc/39/37/89/572393789.db2.gz OAFLYDIONDUEQK-SNVBAGLBSA-N 0 3 191.274 1.779 10 0 ADAEHN Cc1cc(C)c2c(CN)n[nH]c2c1 76600806 572393858 /nfs/dbraw/zinc/39/38/58/572393858.db2.gz BOZVAUCZRMMIPH-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN Cc1ccc2c(CN)[nH]nc2c1C 76600818 572393924 /nfs/dbraw/zinc/39/39/24/572393924.db2.gz NJRBSGSUQVZBFR-UHFFFAOYSA-N 0 3 175.235 1.638 10 0 ADAEHN CC[C@H](C)N[C@H](CN)c1ccc(C)o1 83760559 572394469 /nfs/dbraw/zinc/39/44/69/572394469.db2.gz QDJMEHKBQMSBBI-WCBMZHEXSA-N 0 3 196.294 1.976 10 0 ADAEHN CCN[C@@H](c1nc[nH]n1)C(CC)CC 87170777 572394554 /nfs/dbraw/zinc/39/45/54/572394554.db2.gz ZVAHKQCHSFFIKY-SECBINFHSA-N 0 3 196.298 1.892 10 0 ADAEHN C[C@@H]1Cc2c3c(cn2C)CN[C@H]3C1 76601671 572394604 /nfs/dbraw/zinc/39/46/04/572394604.db2.gz NPEHTGUHRMOXBF-CBAPKCEASA-N 0 3 176.263 1.752 10 0 ADAEHN CCC(CC)[C@H](N)c1ccn(C)n1 87170633 572394712 /nfs/dbraw/zinc/39/47/12/572394712.db2.gz VWFNVMFFAPXACA-JTQLQIEISA-N 0 3 181.283 1.856 10 0 ADAEHN C[C@@H]1Cc2c3c(cn2C)CN[C@@H]3C1 76601666 572394933 /nfs/dbraw/zinc/39/49/33/572394933.db2.gz NPEHTGUHRMOXBF-IONNQARKSA-N 0 3 176.263 1.752 10 0 ADAEHN CCC(CC)N1CCC[C@@H]1C(=O)OC 87171713 572394992 /nfs/dbraw/zinc/39/49/92/572394992.db2.gz JUZVNVPNPMNXLI-SNVBAGLBSA-N 0 3 199.294 1.812 10 0 ADAEHN Cn1cc(-c2ccon2)cc1CN 76602090 572395085 /nfs/dbraw/zinc/39/50/85/572395085.db2.gz ULSQFROHSHVYFK-UHFFFAOYSA-N 0 3 177.207 1.139 10 0 ADAEHN Cn1c(CN)ccc1-c1ncco1 76602083 572395273 /nfs/dbraw/zinc/39/52/73/572395273.db2.gz WIUAGVJQPGSXSK-UHFFFAOYSA-N 0 3 177.207 1.139 10 0 ADAEHN CCC(CC)[C@@H](N)c1ccn(C)n1 87170635 572395346 /nfs/dbraw/zinc/39/53/46/572395346.db2.gz VWFNVMFFAPXACA-SNVBAGLBSA-N 0 3 181.283 1.856 10 0 ADAEHN CCC(CC)[C@@H](N)c1ccncn1 87170395 572395379 /nfs/dbraw/zinc/39/53/79/572395379.db2.gz RKSPKUUGCBVOEF-SNVBAGLBSA-N 0 3 179.267 1.913 10 0 ADAEHN CC(C)OCn1cccc1CN 308009553 572395415 /nfs/dbraw/zinc/39/54/15/572395415.db2.gz FNMLUFCCKPVLAN-UHFFFAOYSA-N 0 3 168.240 1.329 10 0 ADAEHN C[C@H]1Cc2c3c(cn2C)CN[C@@H]3C1 76601669 572395482 /nfs/dbraw/zinc/39/54/82/572395482.db2.gz NPEHTGUHRMOXBF-VXNVDRBHSA-N 0 3 176.263 1.752 10 0 ADAEHN CCCCCC[C@](N)(CC)C(N)=O 238229576 572395558 /nfs/dbraw/zinc/39/55/58/572395558.db2.gz BIDAVCXHHJGBQN-SNVBAGLBSA-N 0 3 186.299 1.550 10 0 ADAEHN CCC(CC)[C@H](N)c1ccncn1 87170394 572395620 /nfs/dbraw/zinc/39/56/20/572395620.db2.gz RKSPKUUGCBVOEF-JTQLQIEISA-N 0 3 179.267 1.913 10 0 ADAEHN CCC(CC)[C@@H](NC)c1nc[nH]n1 87170774 572396320 /nfs/dbraw/zinc/39/63/20/572396320.db2.gz LOZVQGKCJCZHGJ-MRVPVSSYSA-N 0 3 182.271 1.501 10 0 ADAEHN CC[C@@H](C)N[C@@H](CN)c1ccc(C)o1 83760553 572396350 /nfs/dbraw/zinc/39/63/50/572396350.db2.gz QDJMEHKBQMSBBI-SCZZXKLOSA-N 0 3 196.294 1.976 10 0 ADAEHN CCN(C[C@H](C)O)CC1(F)CC1 308009613 572396390 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87170771 572397595 /nfs/dbraw/zinc/39/75/95/572397595.db2.gz KUVREUDBONOFHU-SSDOTTSWSA-N 0 3 168.244 1.241 10 0 ADAEHN CCC(CC)[C@@H](N)c1nnc[nH]1 87170771 572397600 /nfs/dbraw/zinc/39/76/00/572397600.db2.gz KUVREUDBONOFHU-SSDOTTSWSA-N 0 3 168.244 1.241 10 0 ADAEHN C[C@H]1Cc2c3c(cn2C)CN[C@H]3C1 76601676 572397917 /nfs/dbraw/zinc/39/79/17/572397917.db2.gz NPEHTGUHRMOXBF-APPZFPTMSA-N 0 3 176.263 1.752 10 0 ADAEHN CCC(CC)[C@@H](N)c1cnccn1 87169884 572397955 /nfs/dbraw/zinc/39/79/55/572397955.db2.gz GHNOVSKZAOORNX-SNVBAGLBSA-N 0 3 179.267 1.913 10 0 ADAEHN CC[C@H](C)N[C@@H](CN)c1ccc(C)o1 83760555 572398042 /nfs/dbraw/zinc/39/80/42/572398042.db2.gz QDJMEHKBQMSBBI-WPRPVWTQSA-N 0 3 196.294 1.976 10 0 ADAEHN CCC(CC)[C@H](N)c1cnccn1 87169882 572398046 /nfs/dbraw/zinc/39/80/46/572398046.db2.gz GHNOVSKZAOORNX-JTQLQIEISA-N 0 3 179.267 1.913 10 0 ADAEHN Cc1c(O)cccc1OC1CNC1 76603174 572401524 /nfs/dbraw/zinc/40/15/24/572401524.db2.gz KZUXYSGCQQYNBE-UHFFFAOYSA-N 0 3 179.219 1.051 10 0 ADAEHN 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572411921 /nfs/dbraw/zinc/41/19/21/572411921.db2.gz HRPHPMWBYHEVJB-WPRPVWTQSA-N 0 3 191.278 1.710 10 0 ADAEHN CC[C@@H]([NH3+])Cc1cccc(F)c1[O-] 44399487 572411955 /nfs/dbraw/zinc/41/19/55/572411955.db2.gz XUEKBKRBJKLRDB-MRVPVSSYSA-N 0 3 183.226 1.811 10 0 ADAEHN CCC[C@@](N)(O)c1ccccc1C=O 238232888 572411977 /nfs/dbraw/zinc/41/19/77/572411977.db2.gz ISHXLCZOXIEAFC-LLVKDONJSA-N 0 3 193.246 1.403 10 0 ADAEHN Cc1cc(Cl)c([C@@H](N)CO)s1 214670136 572411993 /nfs/dbraw/zinc/41/19/93/572411993.db2.gz XVLQZBQBNGNYAA-LURJTMIESA-N 0 3 191.683 1.702 10 0 ADAEHN CC[C@@H]([NH3+])Cc1c([O-])cccc1F 44405249 572412135 /nfs/dbraw/zinc/41/21/35/572412135.db2.gz BYPXQLLPOKOYNP-SSDOTTSWSA-N 0 3 183.226 1.811 10 0 ADAEHN CC(C)(C)C[C@H]1CCNCCC1=O 76608488 572412223 /nfs/dbraw/zinc/41/22/23/572412223.db2.gz QESXITQVWDHHSU-SECBINFHSA-N 0 3 183.295 1.991 10 0 ADAEHN CCN[C@H](c1cncnc1)[C@H]1C[C@@H]1C 83809220 572412266 /nfs/dbraw/zinc/41/22/66/572412266.db2.gz RXZANCZEAFNWAC-INTQDDNPSA-N 0 3 191.278 1.783 10 0 ADAEHN CCCC[C@@H](N)c1cccnc1CO 238793618 572412322 /nfs/dbraw/zinc/41/23/22/572412322.db2.gz HZKWGBDNIRQBRH-SNVBAGLBSA-N 0 3 194.278 1.764 10 0 ADAEHN CC(C)(C)C[C@@H]1CCNCCC1=O 76608484 572412349 /nfs/dbraw/zinc/41/23/49/572412349.db2.gz QESXITQVWDHHSU-VIFPVBQESA-N 0 3 183.295 1.991 10 0 ADAEHN CCC[C@@H](N)c1ccc(CO)cn1 238235098 572412482 /nfs/dbraw/zinc/41/24/82/572412482.db2.gz ATWWLOOIZKXZAQ-SECBINFHSA-N 0 3 180.251 1.374 10 0 ADAEHN CC(C)CC[C@@H]1CCNCCC1=O 76608505 572412515 /nfs/dbraw/zinc/41/25/15/572412515.db2.gz IUGOKABEEPSWBY-SNVBAGLBSA-N 0 3 183.295 1.991 10 0 ADAEHN Cc1cc(Cl)c([C@@H](O)CN)s1 214670261 572412877 /nfs/dbraw/zinc/41/28/77/572412877.db2.gz ROUHHXPLMYBOHV-LURJTMIESA-N 0 3 191.683 1.702 10 0 ADAEHN CCNCc1cnc([C@@H]2C[C@H]2C)nc1 83810498 572412958 /nfs/dbraw/zinc/41/29/58/572412958.db2.gz HRPHPMWBYHEVJB-PSASIEDQSA-N 0 3 191.278 1.710 10 0 ADAEHN CCNCc1ccnc([C@H]2C[C@H]2C)n1 83810439 572413117 /nfs/dbraw/zinc/41/31/17/572413117.db2.gz PVLNINRLRDHTST-SCZZXKLOSA-N 0 3 191.278 1.710 10 0 ADAEHN CCN(CC)C(=S)SCCN 238234532 572413133 /nfs/dbraw/zinc/41/31/33/572413133.db2.gz DZVNGXZFXSOREW-UHFFFAOYSA-N 0 3 192.353 1.305 10 0 ADAEHN CCn1ccnc1[C@H](NC)[C@H]1C[C@@H]1C 83808843 572413160 /nfs/dbraw/zinc/41/31/60/572413160.db2.gz YLAIVACEFWKKKT-LPEHRKFASA-N 0 3 193.294 1.820 10 0 ADAEHN CC(C)CC[C@@H]1CNCCCC1=O 76608499 572413169 /nfs/dbraw/zinc/41/31/69/572413169.db2.gz QYDHWJQNKHGHOL-SNVBAGLBSA-N 0 3 183.295 1.991 10 0 ADAEHN C[C@H]([NH3+])Cc1cccc(F)c1[O-] 44410287 572413218 /nfs/dbraw/zinc/41/32/18/572413218.db2.gz ZSENTNZRLWEPFD-LURJTMIESA-N 0 3 169.199 1.421 10 0 ADAEHN CC[C@@H]([NH3+])Cc1ccc([O-])c(F)c1 44399938 572413240 /nfs/dbraw/zinc/41/32/40/572413240.db2.gz OLHHZRJFJDTMOV-MRVPVSSYSA-N 0 3 183.226 1.811 10 0 ADAEHN CCn1ccnc1[C@H](NC)[C@@H]1C[C@@H]1C 83808841 572413283 /nfs/dbraw/zinc/41/32/83/572413283.db2.gz YLAIVACEFWKKKT-IVZWLZJFSA-N 0 3 193.294 1.820 10 0 ADAEHN CCN[C@H](c1cnccn1)[C@@H]1C[C@@H]1C 83809094 572413316 /nfs/dbraw/zinc/41/33/16/572413316.db2.gz WLGVBYLMQFOPIB-NGZCFLSTSA-N 0 3 191.278 1.783 10 0 ADAEHN CN1CC2=C(C1)CN(C/C=C\Cl)C2 379413887 572413796 /nfs/dbraw/zinc/41/37/96/572413796.db2.gz MUHZODFHWZFFMS-IHWYPQMZSA-N 0 3 198.697 1.297 10 0 ADAEHN Cc1cc(Cl)c([C@H](N)CO)s1 214670097 572413394 /nfs/dbraw/zinc/41/33/94/572413394.db2.gz XVLQZBQBNGNYAA-ZCFIWIBFSA-N 0 3 191.683 1.702 10 0 ADAEHN CCN[C@H](c1nccn1C)[C@@H]1C[C@@H]1C 83809310 572413432 /nfs/dbraw/zinc/41/34/32/572413432.db2.gz HLOYIEIMDXLBAF-AEJSXWLSSA-N 0 3 193.294 1.727 10 0 ADAEHN CC[C@H]([NH3+])Cc1ccc([O-])c(F)c1 44399936 572413802 /nfs/dbraw/zinc/41/38/02/572413802.db2.gz OLHHZRJFJDTMOV-QMMMGPOBSA-N 0 3 183.226 1.811 10 0 ADAEHN CC(C)(C)C[C@@H]1CNCCCC1=O 76608478 572413558 /nfs/dbraw/zinc/41/35/58/572413558.db2.gz HZJGVVYKQUVARQ-SECBINFHSA-N 0 3 183.295 1.991 10 0 ADAEHN CC[C@H]([NH3+])Cc1cccc(F)c1[O-] 44399485 572413615 /nfs/dbraw/zinc/41/36/15/572413615.db2.gz XUEKBKRBJKLRDB-QMMMGPOBSA-N 0 3 183.226 1.811 10 0 ADAEHN CC(C)CC[C@H]1CNCCCC1=O 76608502 572413648 /nfs/dbraw/zinc/41/36/48/572413648.db2.gz QYDHWJQNKHGHOL-JTQLQIEISA-N 0 3 183.295 1.991 10 0 ADAEHN CCNCc1ccnc([C@H]2C[C@@H]2C)n1 83810437 572413712 /nfs/dbraw/zinc/41/37/12/572413712.db2.gz PVLNINRLRDHTST-WPRPVWTQSA-N 0 3 191.278 1.710 10 0 ADAEHN C[C@H](CO)[C@@H](N)c1ccccc1Cl 44396356 572413778 /nfs/dbraw/zinc/41/37/78/572413778.db2.gz BGURUFQNKOKLNL-GMSGAONNSA-N 0 3 199.681 1.968 10 0 ADAEHN CCNCc1cnc([C@H]2C[C@H]2C)nc1 83810499 572413875 /nfs/dbraw/zinc/41/38/75/572413875.db2.gz HRPHPMWBYHEVJB-SCZZXKLOSA-N 0 3 191.278 1.710 10 0 ADAEHN CCCC[C@@H](N)c1ccc(CO)cn1 238793409 572414278 /nfs/dbraw/zinc/41/42/78/572414278.db2.gz KEXDEXKVSLIQBK-SNVBAGLBSA-N 0 3 194.278 1.764 10 0 ADAEHN CC(C)CC[C@H]1CCNCCC1=O 76608508 572414303 /nfs/dbraw/zinc/41/43/03/572414303.db2.gz IUGOKABEEPSWBY-JTQLQIEISA-N 0 3 183.295 1.991 10 0 ADAEHN CN[C@H](c1cnnn1C)[C@H]1CC1(C)C 234439882 572414395 /nfs/dbraw/zinc/41/43/95/572414395.db2.gz LWGNRFVXOCIIDC-APPZFPTMSA-N 0 3 194.282 1.122 10 0 ADAEHN CCCC[C@@H](N)c1ccncc1CO 238793637 572414563 /nfs/dbraw/zinc/41/45/63/572414563.db2.gz FSHQZLHMVQWATA-LLVKDONJSA-N 0 3 194.278 1.764 10 0 ADAEHN C1CC(OC[C@@H]2CCC3(CNC3)O2)C1 686235855 572414628 /nfs/dbraw/zinc/41/46/28/572414628.db2.gz DYQWFMUHJJUENK-JTQLQIEISA-N 0 3 197.278 1.077 10 0 ADAEHN C[C@H](NCCCC(N)=O)c1ccoc1 87289890 572414758 /nfs/dbraw/zinc/41/47/58/572414758.db2.gz VFOWPHLOURUXCL-QMMMGPOBSA-N 0 3 196.250 1.196 10 0 ADAEHN CCN[C@H](CCO)c1ccoc1 87307801 572414808 /nfs/dbraw/zinc/41/48/08/572414808.db2.gz HVFUGNAUSYFYQV-SECBINFHSA-N 0 3 169.224 1.313 10 0 ADAEHN C[C@H](NC[C@H](O)C1CC1)c1ccoc1 87290228 572414858 /nfs/dbraw/zinc/41/48/58/572414858.db2.gz OZNLZBWHNFSVDS-KWQFWETISA-N 0 3 195.262 1.701 10 0 ADAEHN CCc1ccsc1CNCCO 87310516 572414840 /nfs/dbraw/zinc/41/48/40/572414840.db2.gz YEXWOGSHCHOFKY-UHFFFAOYSA-N 0 3 185.292 1.392 10 0 ADAEHN C[C@H]1C[C@H]1c1nc(CNC2CC2)c[nH]1 83810707 572414975 /nfs/dbraw/zinc/41/49/75/572414975.db2.gz CEBANIWWKXIRQA-OIBJUYFYSA-N 0 3 191.278 1.785 10 0 ADAEHN C[C@H]1C[C@H]1c1ncc(CNC2CC2)[nH]1 83810707 572414978 /nfs/dbraw/zinc/41/49/78/572414978.db2.gz CEBANIWWKXIRQA-OIBJUYFYSA-N 0 3 191.278 1.785 10 0 ADAEHN C[C@@H]1C[C@@H]1c1nc(CNC2CC2)c[nH]1 83810704 572415011 /nfs/dbraw/zinc/41/50/11/572415011.db2.gz CEBANIWWKXIRQA-XCBNKYQSSA-N 0 3 191.278 1.785 10 0 ADAEHN C[C@@H]1C[C@@H]1c1ncc(CNC2CC2)[nH]1 83810704 572415016 /nfs/dbraw/zinc/41/50/16/572415016.db2.gz CEBANIWWKXIRQA-XCBNKYQSSA-N 0 3 191.278 1.785 10 0 ADAEHN CCNCc1cc(-c2ccoc2)n[nH]1 87290956 572415226 /nfs/dbraw/zinc/41/52/26/572415226.db2.gz JHHGWGFXXHNGNB-UHFFFAOYSA-N 0 3 191.234 1.779 10 0 ADAEHN Cc1cscc1CNCCCO 87310639 572415236 /nfs/dbraw/zinc/41/52/36/572415236.db2.gz MLWTWIXEABWQJO-UHFFFAOYSA-N 0 3 185.292 1.529 10 0 ADAEHN C[C@H]([NH3+])Cc1ccc([O-])c(F)c1 44410861 572415411 /nfs/dbraw/zinc/41/54/11/572415411.db2.gz ZFITYOUYAOMSSU-LURJTMIESA-N 0 3 169.199 1.421 10 0 ADAEHN C[C@H](NC[C@@H](O)C1CC1)c1ccoc1 87290230 572415790 /nfs/dbraw/zinc/41/57/90/572415790.db2.gz OZNLZBWHNFSVDS-GZMMTYOYSA-N 0 3 195.262 1.701 10 0 ADAEHN NC1(c2ccnn2CC2CCC2)CC1 214661584 572415886 /nfs/dbraw/zinc/41/58/86/572415886.db2.gz GKYJRJLWJHFVOF-UHFFFAOYSA-N 0 3 191.278 1.631 10 0 ADAEHN COc1cccnc1[C@@](C)(F)CN 235039408 572415910 /nfs/dbraw/zinc/41/59/10/572415910.db2.gz ZGFAJPNINMMCLR-VIFPVBQESA-N 0 3 184.214 1.234 10 0 ADAEHN C[C@@H]1C[C@H]1c1nc(CNC2CC2)c[nH]1 83810706 572416011 /nfs/dbraw/zinc/41/60/11/572416011.db2.gz CEBANIWWKXIRQA-GMSGAONNSA-N 0 3 191.278 1.785 10 0 ADAEHN C[C@@H]1C[C@H]1c1ncc(CNC2CC2)[nH]1 83810706 572416014 /nfs/dbraw/zinc/41/60/14/572416014.db2.gz CEBANIWWKXIRQA-GMSGAONNSA-N 0 3 191.278 1.785 10 0 ADAEHN CCNCc1cnc([C@H]2C[C@H]2C)[nH]1 83810695 572416239 /nfs/dbraw/zinc/41/62/39/572416239.db2.gz FPHCJCRXCBSERN-APPZFPTMSA-N 0 3 179.267 1.643 10 0 ADAEHN CCNCc1c[nH]c([C@@H]2C[C@H]2C)n1 83810694 572416040 /nfs/dbraw/zinc/41/60/40/572416040.db2.gz FPHCJCRXCBSERN-VXNVDRBHSA-N 0 3 179.267 1.643 10 0 ADAEHN Cc1ccc(CN[C@@H]2CCC[C@@H]2O)o1 53037695 572416043 /nfs/dbraw/zinc/41/60/43/572416043.db2.gz FSRSSHZEZSFNHL-MNOVXSKESA-N 0 3 195.262 1.591 10 0 ADAEHN CCNCc1cnc([C@@H]2C[C@H]2C)[nH]1 83810694 572416044 /nfs/dbraw/zinc/41/60/44/572416044.db2.gz FPHCJCRXCBSERN-VXNVDRBHSA-N 0 3 179.267 1.643 10 0 ADAEHN CCN(C)CCN[C@H](C)c1ccoc1 87290173 572416159 /nfs/dbraw/zinc/41/61/59/572416159.db2.gz XRVOUPLLHCBDTA-SNVBAGLBSA-N 0 3 196.294 1.882 10 0 ADAEHN Cc1cc(CNCCO)cc(C)c1F 87314998 572416193 /nfs/dbraw/zinc/41/61/93/572416193.db2.gz ZPYBUTSBQJWXNX-UHFFFAOYSA-N 0 3 197.253 1.524 10 0 ADAEHN CCNCc1c[nH]c([C@H]2C[C@H]2C)n1 83810695 572416235 /nfs/dbraw/zinc/41/62/35/572416235.db2.gz FPHCJCRXCBSERN-APPZFPTMSA-N 0 3 179.267 1.643 10 0 ADAEHN CC(C)[C@H](CO)N[C@@H](C)c1ccoc1 87290500 572416289 /nfs/dbraw/zinc/41/62/89/572416289.db2.gz MCLBUWJUUIAZFU-ONGXEEELSA-N 0 3 197.278 1.947 10 0 ADAEHN C[C@@H](NCCCC(N)=O)c1ccoc1 87289891 572416441 /nfs/dbraw/zinc/41/64/41/572416441.db2.gz VFOWPHLOURUXCL-MRVPVSSYSA-N 0 3 196.250 1.196 10 0 ADAEHN C[C@H]1C[C@@H]1c1nc(CNC2CC2)c[nH]1 83810705 572416546 /nfs/dbraw/zinc/41/65/46/572416546.db2.gz CEBANIWWKXIRQA-XVKPBYJWSA-N 0 3 191.278 1.785 10 0 ADAEHN C[C@H]1C[C@@H]1c1ncc(CNC2CC2)[nH]1 83810705 572416548 /nfs/dbraw/zinc/41/65/48/572416548.db2.gz CEBANIWWKXIRQA-XVKPBYJWSA-N 0 3 191.278 1.785 10 0 ADAEHN CNC(=O)CCN[C@@H](C)c1ccoc1 87290104 572416621 /nfs/dbraw/zinc/41/66/21/572416621.db2.gz CXANSICXGIKTKF-QMMMGPOBSA-N 0 3 196.250 1.066 10 0 ADAEHN CCNCc1c[nH]c([C@@H]2C[C@@H]2C)n1 83810692 572416760 /nfs/dbraw/zinc/41/67/60/572416760.db2.gz FPHCJCRXCBSERN-IONNQARKSA-N 0 3 179.267 1.643 10 0 ADAEHN CCNCc1cnc([C@@H]2C[C@@H]2C)[nH]1 83810692 572416765 /nfs/dbraw/zinc/41/67/65/572416765.db2.gz FPHCJCRXCBSERN-IONNQARKSA-N 0 3 179.267 1.643 10 0 ADAEHN CCN[C@@H](CCO)c1ccoc1 87307800 572416897 /nfs/dbraw/zinc/41/68/97/572416897.db2.gz HVFUGNAUSYFYQV-VIFPVBQESA-N 0 3 169.224 1.313 10 0 ADAEHN CCNCc1c[nH]c([C@H]2C[C@@H]2C)n1 83810693 572416943 /nfs/dbraw/zinc/41/69/43/572416943.db2.gz FPHCJCRXCBSERN-CBAPKCEASA-N 0 3 179.267 1.643 10 0 ADAEHN CCNCc1cnc([C@H]2C[C@@H]2C)[nH]1 83810693 572416944 /nfs/dbraw/zinc/41/69/44/572416944.db2.gz FPHCJCRXCBSERN-CBAPKCEASA-N 0 3 179.267 1.643 10 0 ADAEHN C1CC(OC[C@H]2CCC3(CNC3)O2)C1 686235862 572416947 /nfs/dbraw/zinc/41/69/47/572416947.db2.gz DYQWFMUHJJUENK-SNVBAGLBSA-N 0 3 197.278 1.077 10 0 ADAEHN CN[C@H](c1cncnc1)[C@H]1CC1(C)C 234439789 572416963 /nfs/dbraw/zinc/41/69/63/572416963.db2.gz FCYOTFSCFCXGCK-NXEZZACHSA-N 0 3 191.278 1.783 10 0 ADAEHN C[C@@H](NC[C@H](O)C1CC1)c1ccoc1 87290229 572416968 /nfs/dbraw/zinc/41/69/68/572416968.db2.gz OZNLZBWHNFSVDS-KCJUWKMLSA-N 0 3 195.262 1.701 10 0 ADAEHN CCNCc1nc(-c2ccoc2)c[nH]1 87290905 572417241 /nfs/dbraw/zinc/41/72/41/572417241.db2.gz CHCMGLGNQJFMJD-UHFFFAOYSA-N 0 3 191.234 1.779 10 0 ADAEHN CN[C@@H](C)c1c(Cl)c(C)nn1C 107173692 572417316 /nfs/dbraw/zinc/41/73/16/572417316.db2.gz LHSCJSSXNVSTLG-LURJTMIESA-N 0 3 187.674 1.662 10 0 ADAEHN CC(C)[C@H](CO)N[C@H](C)c1ccoc1 87290502 572417403 /nfs/dbraw/zinc/41/74/03/572417403.db2.gz MCLBUWJUUIAZFU-KOLCDFICSA-N 0 3 197.278 1.947 10 0 ADAEHN CCC[C@]1(CC)NCCc2nc[nH]c21 306588522 572417627 /nfs/dbraw/zinc/41/76/27/572417627.db2.gz VTVIOYYVUBFROV-NSHDSACASA-N 0 3 193.294 1.961 10 0 ADAEHN CCN[C@@H](CC1CCC1)c1nc[nH]n1 83841709 572417774 /nfs/dbraw/zinc/41/77/74/572417774.db2.gz GHNDAIFWJYXBTD-VIFPVBQESA-N 0 3 194.282 1.646 10 0 ADAEHN CN[C@H](CC1CCC1)c1ccncn1 83841470 572417802 /nfs/dbraw/zinc/41/78/02/572417802.db2.gz MWFGEXIVOIYQPD-LLVKDONJSA-N 0 3 191.278 1.927 10 0 ADAEHN CCN(C)CCN[C@@H](C)c1ccoc1 87290172 572417940 /nfs/dbraw/zinc/41/79/40/572417940.db2.gz XRVOUPLLHCBDTA-JTQLQIEISA-N 0 3 196.294 1.882 10 0 ADAEHN Cc1cscc1CNCCN(C)C 87310784 572418056 /nfs/dbraw/zinc/41/80/56/572418056.db2.gz OVNBBRSITJLMLJ-UHFFFAOYSA-N 0 3 198.335 1.708 10 0 ADAEHN Cc1ccc(CN[C@H]2CCC[C@H]2O)o1 53037703 572418166 /nfs/dbraw/zinc/41/81/66/572418166.db2.gz FSRSSHZEZSFNHL-WDEREUQCSA-N 0 3 195.262 1.591 10 0 ADAEHN CC(C)(C)CN1CCC[C@@H]1C(=N)NO 713248156 572418473 /nfs/dbraw/zinc/41/84/73/572418473.db2.gz FAIZEJVYILPBSK-MRVPVSSYSA-N 0 3 199.298 1.453 10 0 ADAEHN CNC(=O)CCN[C@H](C)c1ccoc1 87290105 572418543 /nfs/dbraw/zinc/41/85/43/572418543.db2.gz CXANSICXGIKTKF-MRVPVSSYSA-N 0 3 196.250 1.066 10 0 ADAEHN CN[C@H](CC1CCC1)c1nc[nH]n1 83841708 572418567 /nfs/dbraw/zinc/41/85/67/572418567.db2.gz NPQBRASKOXWIFG-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN CN[C@H](CC1CCC1)c1nnc[nH]1 83841708 572418571 /nfs/dbraw/zinc/41/85/71/572418571.db2.gz NPQBRASKOXWIFG-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN N[C@@H](CC[C@H]1CCCO1)c1ncc[nH]1 87340597 572418819 /nfs/dbraw/zinc/41/88/19/572418819.db2.gz ZJZUWHAYOHMCFG-BDAKNGLRSA-N 0 3 195.266 1.369 10 0 ADAEHN N[C@H](CCC(F)(F)F)c1ncc[nH]1 87340520 572419935 /nfs/dbraw/zinc/41/99/35/572419935.db2.gz NREKODNOEWDLDW-RXMQYKEDSA-N 0 3 193.172 1.752 10 0 ADAEHN CCC(CC)[C@H](N)c1ncc[nH]1 87340990 572418911 /nfs/dbraw/zinc/41/89/11/572418911.db2.gz XJMQEXVKQLJIFS-QMMMGPOBSA-N 0 3 167.256 1.846 10 0 ADAEHN CN[C@H](CC1CCC1)c1ncc[nH]1 87341651 572418922 /nfs/dbraw/zinc/41/89/22/572418922.db2.gz QWLWKEUMAJCJJK-SECBINFHSA-N 0 3 179.267 1.860 10 0 ADAEHN CCN[C@H](CC1CCC1)c1nc[nH]n1 83841710 572419005 /nfs/dbraw/zinc/41/90/05/572419005.db2.gz GHNDAIFWJYXBTD-SECBINFHSA-N 0 3 194.282 1.646 10 0 ADAEHN CN[C@H](CC1CCC1)c1cnccn1 83841181 572419049 /nfs/dbraw/zinc/41/90/49/572419049.db2.gz JQZCLSOOXGGVBC-SNVBAGLBSA-N 0 3 191.278 1.927 10 0 ADAEHN CN[C@H](CC1CC1)c1ncc[nH]1 87341596 572419087 /nfs/dbraw/zinc/41/90/87/572419087.db2.gz QZOKLAIODNSAKP-MRVPVSSYSA-N 0 3 165.240 1.470 10 0 ADAEHN CN[C@@H](CC1CCC1)c1ccncn1 83841469 572419412 /nfs/dbraw/zinc/41/94/12/572419412.db2.gz MWFGEXIVOIYQPD-NSHDSACASA-N 0 3 191.278 1.927 10 0 ADAEHN CCCCC[C@H](N)c1ncc[nH]1 87340728 572419424 /nfs/dbraw/zinc/41/94/24/572419424.db2.gz AQVWOEPDVKFJNN-QMMMGPOBSA-N 0 3 167.256 1.990 10 0 ADAEHN CN[C@@H](CC1CC1)c1ncc[nH]1 87341594 572419430 /nfs/dbraw/zinc/41/94/30/572419430.db2.gz QZOKLAIODNSAKP-QMMMGPOBSA-N 0 3 165.240 1.470 10 0 ADAEHN CN[C@H](C)c1cnn(CC2CCC2)c1 83841992 572419474 /nfs/dbraw/zinc/41/94/74/572419474.db2.gz SHTWSXBJDHJNKH-SECBINFHSA-N 0 3 193.294 1.964 10 0 ADAEHN CC[C@H](C)C[C@H](N)c1ncc[nH]1 87340741 572419533 /nfs/dbraw/zinc/41/95/33/572419533.db2.gz QVSWJCMHRKCPDW-YUMQZZPRSA-N 0 3 167.256 1.846 10 0 ADAEHN CN[C@@H](CC1CCC1)c1cnccn1 83841180 572419623 /nfs/dbraw/zinc/41/96/23/572419623.db2.gz JQZCLSOOXGGVBC-JTQLQIEISA-N 0 3 191.278 1.927 10 0 ADAEHN CCN[C@H](c1ncc[nH]1)C(C)C 87342110 572419708 /nfs/dbraw/zinc/41/97/08/572419708.db2.gz RFOSMQODTNHUQU-QMMMGPOBSA-N 0 3 167.256 1.716 10 0 ADAEHN N[C@H](CC[C@H]1CCCO1)c1ncc[nH]1 87340596 572419738 /nfs/dbraw/zinc/41/97/38/572419738.db2.gz ZJZUWHAYOHMCFG-RKDXNWHRSA-N 0 3 195.266 1.369 10 0 ADAEHN CC[C@H](C)[C@H](NC)c1ncc[nH]1 87341552 572419756 /nfs/dbraw/zinc/41/97/56/572419756.db2.gz IPIYKWAXONBQMR-YUMQZZPRSA-N 0 3 167.256 1.716 10 0 ADAEHN CN[C@@H](CC(C)C)c1ncc[nH]1 87341221 572420114 /nfs/dbraw/zinc/42/01/14/572420114.db2.gz NAJDJTNGCGGTQW-QMMMGPOBSA-N 0 3 167.256 1.716 10 0 ADAEHN CC[C@@H](C)[C@H](C)n1cc(CN)cn1 238797552 572420202 /nfs/dbraw/zinc/42/02/02/572420202.db2.gz PGCOTLDTEABXKR-BDAKNGLRSA-N 0 3 181.283 1.949 10 0 ADAEHN CN[C@@H](C)c1cnn(CC2CCC2)c1 83841991 572420219 /nfs/dbraw/zinc/42/02/19/572420219.db2.gz SHTWSXBJDHJNKH-VIFPVBQESA-N 0 3 193.294 1.964 10 0 ADAEHN CN[C@@H](CC1CCC1)c1ccn(C)n1 83841627 572420308 /nfs/dbraw/zinc/42/03/08/572420308.db2.gz JQRRLRACNYTQGW-NSHDSACASA-N 0 3 193.294 1.871 10 0 ADAEHN CCCN[C@H](c1ncc[nH]1)C1CC1 87342167 572420373 /nfs/dbraw/zinc/42/03/73/572420373.db2.gz MEBFPSHAXYPWPN-VIFPVBQESA-N 0 3 179.267 1.860 10 0 ADAEHN CCOC(=O)[C@H](C)C[C@H]1C=CC=CN1 238798156 572423179 /nfs/dbraw/zinc/42/31/79/572423179.db2.gz FBASRKUNVQNBEK-NXEZZACHSA-N 0 3 195.262 1.617 10 0 ADAEHN CCN[C@@H](c1ncc[nH]1)C(C)C 87342108 572420454 /nfs/dbraw/zinc/42/04/54/572420454.db2.gz RFOSMQODTNHUQU-MRVPVSSYSA-N 0 3 167.256 1.716 10 0 ADAEHN Cn1c2c(c3cccc(N)c31)CNC2 76632513 572422745 /nfs/dbraw/zinc/42/27/45/572422745.db2.gz UTGCAQCDZYGERS-UHFFFAOYSA-N 0 3 187.246 1.364 10 0 ADAEHN CCC(CC)[C@@H](N)c1ncc[nH]1 87340993 572420478 /nfs/dbraw/zinc/42/04/78/572420478.db2.gz XJMQEXVKQLJIFS-MRVPVSSYSA-N 0 3 167.256 1.846 10 0 ADAEHN CCCN[C@@H](c1ncc[nH]1)C1CC1 87342164 572420599 /nfs/dbraw/zinc/42/05/99/572420599.db2.gz MEBFPSHAXYPWPN-SECBINFHSA-N 0 3 179.267 1.860 10 0 ADAEHN CC[C@@H](C)[C@@H](NC)c1ncc[nH]1 87341554 572420608 /nfs/dbraw/zinc/42/06/08/572420608.db2.gz IPIYKWAXONBQMR-HTQZYQBOSA-N 0 3 167.256 1.716 10 0 ADAEHN CN[C@H](CC1CCC1)c1ccn(C)n1 83841628 572420618 /nfs/dbraw/zinc/42/06/18/572420618.db2.gz JQRRLRACNYTQGW-LLVKDONJSA-N 0 3 193.294 1.871 10 0 ADAEHN CC(C)(C)CN1CCC[C@H]1C(=N)NO 713248158 572420690 /nfs/dbraw/zinc/42/06/90/572420690.db2.gz FAIZEJVYILPBSK-QMMMGPOBSA-N 0 3 199.298 1.453 10 0 ADAEHN CC[C@@H](C)C[C@H](N)c1ncc[nH]1 87340739 572420833 /nfs/dbraw/zinc/42/08/33/572420833.db2.gz QVSWJCMHRKCPDW-SFYZADRCSA-N 0 3 167.256 1.846 10 0 ADAEHN CCCCC[C@@H](N)c1ncc[nH]1 87340730 572420845 /nfs/dbraw/zinc/42/08/45/572420845.db2.gz AQVWOEPDVKFJNN-MRVPVSSYSA-N 0 3 167.256 1.990 10 0 ADAEHN N[C@@H](CCC1CC1)c1ncc[nH]1 87341081 572420991 /nfs/dbraw/zinc/42/09/91/572420991.db2.gz QWYWGXIFJRKVHD-QMMMGPOBSA-N 0 3 165.240 1.600 10 0 ADAEHN CCN[C@H](CC1CC1)c1ncc[nH]1 87342056 572421025 /nfs/dbraw/zinc/42/10/25/572421025.db2.gz PKTKIJLOBGAGFQ-SECBINFHSA-N 0 3 179.267 1.860 10 0 ADAEHN CCCN[C@H](CC)c1ncc[nH]1 87342362 572421036 /nfs/dbraw/zinc/42/10/36/572421036.db2.gz RPHGLJNQWPVPMA-MRVPVSSYSA-N 0 3 167.256 1.860 10 0 ADAEHN CCC[C@H](NCC)c1ncc[nH]1 87341896 572421218 /nfs/dbraw/zinc/42/12/18/572421218.db2.gz FCCDADLSFNSHOE-QMMMGPOBSA-N 0 3 167.256 1.860 10 0 ADAEHN C/C=C/C(=O)N1CCC[C@H]1CN(C)C 87333769 572421226 /nfs/dbraw/zinc/42/12/26/572421226.db2.gz WFJJPQQFTGTHTQ-RWCYGVJQSA-N 0 3 196.294 1.115 10 0 ADAEHN C/C=C/C(=O)N1CCC[C@@H]1CN(C)C 87333767 572422769 /nfs/dbraw/zinc/42/27/69/572422769.db2.gz WFJJPQQFTGTHTQ-DFVUYQKZSA-N 0 3 196.294 1.115 10 0 ADAEHN CN[C@H](CC(C)C)c1ncc[nH]1 87341222 572421532 /nfs/dbraw/zinc/42/15/32/572421532.db2.gz NAJDJTNGCGGTQW-MRVPVSSYSA-N 0 3 167.256 1.716 10 0 ADAEHN CCN[C@@H](CC1CC1)c1ncc[nH]1 87342054 572421614 /nfs/dbraw/zinc/42/16/14/572421614.db2.gz PKTKIJLOBGAGFQ-VIFPVBQESA-N 0 3 179.267 1.860 10 0 ADAEHN CCc1oc(C)cc1CN 77075677 572421646 /nfs/dbraw/zinc/42/16/46/572421646.db2.gz OKVXOKKATWPSEH-UHFFFAOYSA-N 0 3 139.198 1.609 10 0 ADAEHN c1coc(-c2n[nH]c3c2CCNC3)c1 76633473 572421757 /nfs/dbraw/zinc/42/17/57/572421757.db2.gz SNEAXRRVUDBRQF-UHFFFAOYSA-N 0 3 189.218 1.315 10 0 ADAEHN CC[C@@H](C)C[C@@H](N)c1ncc[nH]1 87340743 572421771 /nfs/dbraw/zinc/42/17/71/572421771.db2.gz QVSWJCMHRKCPDW-HTQZYQBOSA-N 0 3 167.256 1.846 10 0 ADAEHN O=c1c2c(oc3ccccc13)CNC2 76632113 572421848 /nfs/dbraw/zinc/42/18/48/572421848.db2.gz CKAIUXPMOCSONB-UHFFFAOYSA-N 0 3 187.198 1.396 10 0 ADAEHN NCc1ccn2nc(C3CC3)nc2c1 107173890 572421962 /nfs/dbraw/zinc/42/19/62/572421962.db2.gz JUZMENLBSJIZIT-UHFFFAOYSA-N 0 3 188.234 1.065 10 0 ADAEHN N[C@H](CC[C@@H]1CCCO1)c1ncc[nH]1 87340591 572422003 /nfs/dbraw/zinc/42/20/03/572422003.db2.gz ZJZUWHAYOHMCFG-DTWKUNHWSA-N 0 3 195.266 1.369 10 0 ADAEHN CC[C@H](C)C[C@@H](N)c1ncc[nH]1 87340745 572422013 /nfs/dbraw/zinc/42/20/13/572422013.db2.gz QVSWJCMHRKCPDW-JGVFFNPUSA-N 0 3 167.256 1.846 10 0 ADAEHN CN[C@@H](CC1CCC1)c1ncc[nH]1 87341649 572422078 /nfs/dbraw/zinc/42/20/78/572422078.db2.gz QWLWKEUMAJCJJK-VIFPVBQESA-N 0 3 179.267 1.860 10 0 ADAEHN C[C@H](N[C@H](C)CCCO)c1cc[nH]n1 87358273 572424117 /nfs/dbraw/zinc/42/41/17/572424117.db2.gz SZMKLTFAQNXJCQ-BDAKNGLRSA-N 0 3 197.282 1.221 10 0 ADAEHN CC[C@H](C)[C@@H](NC)c1ncc[nH]1 87341556 572422129 /nfs/dbraw/zinc/42/21/29/572422129.db2.gz IPIYKWAXONBQMR-JGVFFNPUSA-N 0 3 167.256 1.716 10 0 ADAEHN CCN(C)CCc1csc(N)n1 83852477 572422178 /nfs/dbraw/zinc/42/21/78/572422178.db2.gz VXEPWMULAPAXPY-UHFFFAOYSA-N 0 3 185.296 1.220 10 0 ADAEHN N[C@H](CCC1CC1)c1ncc[nH]1 87341079 572422210 /nfs/dbraw/zinc/42/22/10/572422210.db2.gz QWYWGXIFJRKVHD-MRVPVSSYSA-N 0 3 165.240 1.600 10 0 ADAEHN CCC[C@@H](NCC)c1ncc[nH]1 87341898 572422238 /nfs/dbraw/zinc/42/22/38/572422238.db2.gz FCCDADLSFNSHOE-MRVPVSSYSA-N 0 3 167.256 1.860 10 0 ADAEHN N[C@@H](CCC(F)(F)F)c1ncc[nH]1 87340521 572422406 /nfs/dbraw/zinc/42/24/06/572422406.db2.gz NREKODNOEWDLDW-YFKPBYRVSA-N 0 3 193.172 1.752 10 0 ADAEHN CN(CCc1csc(N)n1)C1CC1 83852479 572422410 /nfs/dbraw/zinc/42/24/10/572422410.db2.gz PSJJNEIMFGMZEV-UHFFFAOYSA-N 0 3 197.307 1.362 10 0 ADAEHN CN[C@@H](CCC1CC1)c1ncc[nH]1 87341743 572422617 /nfs/dbraw/zinc/42/26/17/572422617.db2.gz WXIWZYGLQSABPR-VIFPVBQESA-N 0 3 179.267 1.860 10 0 ADAEHN COCc1cccc(CNC2CC2)n1 234720435 572423940 /nfs/dbraw/zinc/42/39/40/572423940.db2.gz HSHBAMYHGANGLM-UHFFFAOYSA-N 0 3 192.262 1.480 10 0 ADAEHN CCN[C@H](c1ncc[nH]1)C1CC1 87341801 572422637 /nfs/dbraw/zinc/42/26/37/572422637.db2.gz BNZYTULJWLPTKO-QMMMGPOBSA-N 0 3 165.240 1.470 10 0 ADAEHN Cn1c2c(c3cc(N)ccc31)CNC2 76632508 572422718 /nfs/dbraw/zinc/42/27/18/572422718.db2.gz DGTJSRYKJPUFOH-UHFFFAOYSA-N 0 3 187.246 1.364 10 0 ADAEHN CCCN[C@@H](CC)c1ncc[nH]1 87342360 572422675 /nfs/dbraw/zinc/42/26/75/572422675.db2.gz RPHGLJNQWPVPMA-QMMMGPOBSA-N 0 3 167.256 1.860 10 0 ADAEHN CCN(C)Cc1ccccc1CO 238238451 572422880 /nfs/dbraw/zinc/42/28/80/572422880.db2.gz HIYTUHDFRZBWMK-UHFFFAOYSA-N 0 3 179.263 1.631 10 0 ADAEHN Cc1cc([C@@H](N)CN)sc1C 44471757 572422922 /nfs/dbraw/zinc/42/29/22/572422922.db2.gz RJIYBXGVTVESLR-ZETCQYMHSA-N 0 3 170.281 1.323 10 0 ADAEHN C[C@H]([NH3+])Cc1cccc([O-])c1Cl 44461793 572422941 /nfs/dbraw/zinc/42/29/41/572422941.db2.gz RBHUKYGMJHSHSQ-LURJTMIESA-N 0 3 185.654 1.935 10 0 ADAEHN CN[C@H](CCC1CC1)c1ncc[nH]1 87341744 572422946 /nfs/dbraw/zinc/42/29/46/572422946.db2.gz WXIWZYGLQSABPR-SECBINFHSA-N 0 3 179.267 1.860 10 0 ADAEHN N[C@@H](CC[C@@H]1CCCO1)c1ncc[nH]1 87340593 572423052 /nfs/dbraw/zinc/42/30/52/572423052.db2.gz ZJZUWHAYOHMCFG-IUCAKERBSA-N 0 3 195.266 1.369 10 0 ADAEHN C[C@H]([NH3+])Cc1cc(F)cc(F)c1[O-] 44461729 572423212 /nfs/dbraw/zinc/42/32/12/572423212.db2.gz VGEBKSKVWUMYTC-YFKPBYRVSA-N 0 3 187.189 1.560 10 0 ADAEHN Cc1oc2ccccc2c1[C@H](N)CN 44473380 572423493 /nfs/dbraw/zinc/42/34/93/572423493.db2.gz XXHVJLBYHBHTMT-SECBINFHSA-N 0 3 190.246 1.700 10 0 ADAEHN CC[C@H](C(C)=O)N1CCCCC1 196624861 572423742 /nfs/dbraw/zinc/42/37/42/572423742.db2.gz RDAVRJRRXPWHBH-SNVBAGLBSA-N 0 3 169.268 1.840 10 0 ADAEHN OCCN=C1CCc2ccccc2N1 196634392 572423800 /nfs/dbraw/zinc/42/38/00/572423800.db2.gz MGXYDBFIHHNBSK-UHFFFAOYSA-N 0 3 190.246 1.245 10 0 ADAEHN Cn1c2c(c3c(N)cccc31)CNC2 76632516 572424047 /nfs/dbraw/zinc/42/40/47/572424047.db2.gz JFPALKJMXLGHRV-UHFFFAOYSA-N 0 3 187.246 1.364 10 0 ADAEHN Cn1c2c(c3ccc(N)cc31)CNC2 76632510 572424058 /nfs/dbraw/zinc/42/40/58/572424058.db2.gz GQKJORYJQJKARN-UHFFFAOYSA-N 0 3 187.246 1.364 10 0 ADAEHN C[C@H](CCCO)NCc1ccoc1 87358804 572424140 /nfs/dbraw/zinc/42/41/40/572424140.db2.gz LWLNGJGNDMVNSX-SECBINFHSA-N 0 3 183.251 1.530 10 0 ADAEHN C[C@@H](CCCO)N[C@H](C)c1cc[nH]n1 87358274 572424208 /nfs/dbraw/zinc/42/42/08/572424208.db2.gz SZMKLTFAQNXJCQ-DTWKUNHWSA-N 0 3 197.282 1.221 10 0 ADAEHN Cc1cc([C@H](N)CN)sc1C 44471754 572424218 /nfs/dbraw/zinc/42/42/18/572424218.db2.gz RJIYBXGVTVESLR-SSDOTTSWSA-N 0 3 170.281 1.323 10 0 ADAEHN NCc1nn2c3c(cccc13)CCC2 76632522 572424491 /nfs/dbraw/zinc/42/44/91/572424491.db2.gz PTCDTLASVWFTJG-UHFFFAOYSA-N 0 3 187.246 1.441 10 0 ADAEHN CCOC(=O)[C@H](C)C[C@@H]1C=CC=CN1 238798158 572424604 /nfs/dbraw/zinc/42/46/04/572424604.db2.gz FBASRKUNVQNBEK-ZJUUUORDSA-N 0 3 195.262 1.617 10 0 ADAEHN Cc1oc2ccccc2c1[C@@H](N)CN 44473384 572424678 /nfs/dbraw/zinc/42/46/78/572424678.db2.gz XXHVJLBYHBHTMT-VIFPVBQESA-N 0 3 190.246 1.700 10 0 ADAEHN Cc1ccc(-c2nn[nH]c2CN)cc1 76633076 572424708 /nfs/dbraw/zinc/42/47/08/572424708.db2.gz AVGDQKAQTISUGT-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN CC[C@@H](CCO)CNc1ccncc1 87370853 572424980 /nfs/dbraw/zinc/42/49/80/572424980.db2.gz UOZDDHVFZDLZBV-JTQLQIEISA-N 0 3 194.278 1.902 10 0 ADAEHN Cn1cc(-c2cccnc2)cc1CN 76632480 572425090 /nfs/dbraw/zinc/42/50/90/572425090.db2.gz CGODKEQDAADLNE-UHFFFAOYSA-N 0 3 187.246 1.546 10 0 ADAEHN O[C@@H]1CNCc2[nH]c3ccccc3c21 76632975 572425212 /nfs/dbraw/zinc/42/52/12/572425212.db2.gz FZRWYJAMIRNUSU-SNVBAGLBSA-N 0 3 188.230 1.305 10 0 ADAEHN O[C@H]1CNCc2[nH]c3ccccc3c21 76632974 572425220 /nfs/dbraw/zinc/42/52/20/572425220.db2.gz FZRWYJAMIRNUSU-JTQLQIEISA-N 0 3 188.230 1.305 10 0 ADAEHN C[C@@H](CCCO)NCc1ccoc1 87358803 572425426 /nfs/dbraw/zinc/42/54/26/572425426.db2.gz LWLNGJGNDMVNSX-VIFPVBQESA-N 0 3 183.251 1.530 10 0 ADAEHN Cc1cccc(-c2nn[nH]c2CN)c1 76633072 572425573 /nfs/dbraw/zinc/42/55/73/572425573.db2.gz JDKJWNWRAUICBM-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN Cc1ccccc1-c1nn[nH]c1CN 76633074 572425594 /nfs/dbraw/zinc/42/55/94/572425594.db2.gz GKHOEWJLPFNWQP-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN Cc1c([C@@H](C)NC2CCC2)cnn1C 44481692 572425940 /nfs/dbraw/zinc/42/59/40/572425940.db2.gz XWTPRBRQSKWQLD-MRVPVSSYSA-N 0 3 193.294 1.932 10 0 ADAEHN CC[C@H](CCO)CNc1ccncc1 87370855 572426130 /nfs/dbraw/zinc/42/61/30/572426130.db2.gz UOZDDHVFZDLZBV-SNVBAGLBSA-N 0 3 194.278 1.902 10 0 ADAEHN CC[C@@H](C(C)=O)N1CCCCC1 196624852 572426168 /nfs/dbraw/zinc/42/61/68/572426168.db2.gz RDAVRJRRXPWHBH-JTQLQIEISA-N 0 3 169.268 1.840 10 0 ADAEHN C[C@H](CCCO)N[C@H](C)c1cc[nH]n1 87358275 572426419 /nfs/dbraw/zinc/42/64/19/572426419.db2.gz SZMKLTFAQNXJCQ-RKDXNWHRSA-N 0 3 197.282 1.221 10 0 ADAEHN C[C@@H](CCCO)N[C@@H](C)c1cc[nH]n1 87358272 572426512 /nfs/dbraw/zinc/42/65/12/572426512.db2.gz SZMKLTFAQNXJCQ-IUCAKERBSA-N 0 3 197.282 1.221 10 0 ADAEHN COC(C[C@]1(C)NCCS1)OC 83823494 572428207 /nfs/dbraw/zinc/42/82/07/572428207.db2.gz BIKPZSXYGBGIBF-MRVPVSSYSA-N 0 3 191.296 1.048 10 0 ADAEHN COC(C[C@@]1(C)NCCS1)OC 83823493 572426978 /nfs/dbraw/zinc/42/69/78/572426978.db2.gz BIKPZSXYGBGIBF-QMMMGPOBSA-N 0 3 191.296 1.048 10 0 ADAEHN CC(C)C(=O)OC[C@@H](C)N(C)C 197311712 572427142 /nfs/dbraw/zinc/42/71/42/572427142.db2.gz GYEBSDSTIUHQBL-MRVPVSSYSA-N 0 3 173.256 1.136 10 0 ADAEHN Cc1c([C@H](C)NC2CCC2)cnn1C 44481693 572427438 /nfs/dbraw/zinc/42/74/38/572427438.db2.gz XWTPRBRQSKWQLD-QMMMGPOBSA-N 0 3 193.294 1.932 10 0 ADAEHN C[C@H](CCCO)Nc1ccncc1 87360590 572427865 /nfs/dbraw/zinc/42/78/65/572427865.db2.gz KZAGVSOXQXPWNV-SECBINFHSA-N 0 3 180.251 1.655 10 0 ADAEHN C[C@@H](CCCO)Nc1ccncc1 87360589 572427892 /nfs/dbraw/zinc/42/78/92/572427892.db2.gz KZAGVSOXQXPWNV-VIFPVBQESA-N 0 3 180.251 1.655 10 0 ADAEHN CC(C)C(=O)OC[C@H](C)N(C)C 197311721 572428016 /nfs/dbraw/zinc/42/80/16/572428016.db2.gz GYEBSDSTIUHQBL-QMMMGPOBSA-N 0 3 173.256 1.136 10 0 ADAEHN CCOc1cccc([C@@H](CN)OC)c1 83825061 572428511 /nfs/dbraw/zinc/42/85/11/572428511.db2.gz YTFUARKRGLLGBK-LLVKDONJSA-N 0 3 195.262 1.732 10 0 ADAEHN CC(C)C(C)(C)C[C@H](N)c1nnc[nH]1 713247612 572428945 /nfs/dbraw/zinc/42/89/45/572428945.db2.gz JQVPPZVUJBFZQY-QMMMGPOBSA-N 0 3 196.298 1.877 10 0 ADAEHN CC/C=C(\OC(C)=O)C(C)(C)NC 308019698 572428648 /nfs/dbraw/zinc/42/86/48/572428648.db2.gz IWEPWFDHUXWFBB-CLFYSBASSA-N 0 3 185.267 1.841 10 0 ADAEHN CCCC[C@H](C)NC(=O)C1(N)CC1 83835797 572428735 /nfs/dbraw/zinc/42/87/35/572428735.db2.gz JNEGAGRHYJJJGA-QMMMGPOBSA-N 0 3 184.283 1.173 10 0 ADAEHN CCCCNCC(=O)c1ccc[nH]1 238238266 572428758 /nfs/dbraw/zinc/42/87/58/572428758.db2.gz CCEDLFDZTLYCNK-UHFFFAOYSA-N 0 3 180.251 1.587 10 0 ADAEHN CC[C@@H](CCO)CNCc1ccoc1 87362955 572430260 /nfs/dbraw/zinc/43/02/60/572430260.db2.gz HIEANFQJBOPJAC-JTQLQIEISA-N 0 3 197.278 1.778 10 0 ADAEHN CC(C)C[C@@H](C)N(C)C(=O)C1(N)CC1 83834824 572428805 /nfs/dbraw/zinc/42/88/05/572428805.db2.gz RAULERMRNJQCOQ-SECBINFHSA-N 0 3 198.310 1.371 10 0 ADAEHN CC(C)C(C)(C)C[C@H](N)c1nc[nH]n1 713247612 572428941 /nfs/dbraw/zinc/42/89/41/572428941.db2.gz JQVPPZVUJBFZQY-QMMMGPOBSA-N 0 3 196.298 1.877 10 0 ADAEHN CNC(C)(C)c1n[nH]c(C(C)C)n1 61151981 572428976 /nfs/dbraw/zinc/42/89/76/572428976.db2.gz XNNJTOHGEAFCSF-UHFFFAOYSA-N 0 3 182.271 1.383 10 0 ADAEHN CNC(C)(C)c1nnc(C(C)C)[nH]1 61151981 572428979 /nfs/dbraw/zinc/42/89/79/572428979.db2.gz XNNJTOHGEAFCSF-UHFFFAOYSA-N 0 3 182.271 1.383 10 0 ADAEHN C[NH2+]C(C)(C)c1nnc(C(C)C)[n-]1 61151981 572428982 /nfs/dbraw/zinc/42/89/82/572428982.db2.gz XNNJTOHGEAFCSF-UHFFFAOYSA-N 0 3 182.271 1.383 10 0 ADAEHN CCn1ccnc1NCCCF 308019356 572429109 /nfs/dbraw/zinc/42/91/09/572429109.db2.gz TURMRKGWVTXNBY-UHFFFAOYSA-N 0 3 171.219 1.675 10 0 ADAEHN CCC[C@@H](N)c1cccnc1CO 238239390 572429175 /nfs/dbraw/zinc/42/91/75/572429175.db2.gz KMOPZIOQVBPSMX-SECBINFHSA-N 0 3 180.251 1.374 10 0 ADAEHN CC[C@@H](C)N(CC)C(=O)C1(N)CC1 83834114 572429184 /nfs/dbraw/zinc/42/91/84/572429184.db2.gz KTFBMPJLKFBTAM-MRVPVSSYSA-N 0 3 184.283 1.125 10 0 ADAEHN CCOc1cccc([C@H](CN)OC)c1 83825063 572429697 /nfs/dbraw/zinc/42/96/97/572429697.db2.gz YTFUARKRGLLGBK-NSHDSACASA-N 0 3 195.262 1.732 10 0 ADAEHN CSCCNCc1ccccc1N 83824328 572429760 /nfs/dbraw/zinc/42/97/60/572429760.db2.gz UEVNGSBWNDAHCR-UHFFFAOYSA-N 0 3 196.319 1.721 10 0 ADAEHN CCN(C(=O)C1(N)CC1)C1CCCC1 83834247 572429945 /nfs/dbraw/zinc/42/99/45/572429945.db2.gz SWLCFROLLNMIGZ-UHFFFAOYSA-N 0 3 196.294 1.269 10 0 ADAEHN COC(=O)[C@H](C)N1CCC[C@H]1C(C)C 83825851 572429954 /nfs/dbraw/zinc/42/99/54/572429954.db2.gz ABMLUDIIDJZSNO-UWVGGRQHSA-N 0 3 199.294 1.668 10 0 ADAEHN CCCCCC[S@@](=O)CCN 83825031 572429984 /nfs/dbraw/zinc/42/99/84/572429984.db2.gz JQTBRUMJHJMXOL-NSHDSACASA-N 0 3 177.313 1.274 10 0 ADAEHN CC[C@H](C)N(CC)C(=O)C1(N)CC1 83834116 572430073 /nfs/dbraw/zinc/43/00/73/572430073.db2.gz KTFBMPJLKFBTAM-QMMMGPOBSA-N 0 3 184.283 1.125 10 0 ADAEHN Cc1ccc(CCNC2COC2)cc1 76635170 572430544 /nfs/dbraw/zinc/43/05/44/572430544.db2.gz FBYALPAWXMDFEU-UHFFFAOYSA-N 0 3 191.274 1.526 10 0 ADAEHN COC(OC)[C@H](N)Cc1ccccc1 83824456 572430627 /nfs/dbraw/zinc/43/06/27/572430627.db2.gz IFUOZMQFLICJQQ-SNVBAGLBSA-N 0 3 195.262 1.175 10 0 ADAEHN CCCN(C)Cc1cccc(N)n1 83825356 572430644 /nfs/dbraw/zinc/43/06/44/572430644.db2.gz UNCUTLAHKVTEBP-UHFFFAOYSA-N 0 3 179.267 1.506 10 0 ADAEHN Cn1cccc1C[C@@H](N)c1ccco1 76634450 572430742 /nfs/dbraw/zinc/43/07/42/572430742.db2.gz SVUYVWFNSQHOGJ-SNVBAGLBSA-N 0 3 190.246 1.861 10 0 ADAEHN CCCCCC[S@](=O)CCN 83825033 572430759 /nfs/dbraw/zinc/43/07/59/572430759.db2.gz JQTBRUMJHJMXOL-LLVKDONJSA-N 0 3 177.313 1.274 10 0 ADAEHN C/C=C/C(=O)N[C@@H](C)CN1CCCC1 88353630 572430861 /nfs/dbraw/zinc/43/08/61/572430861.db2.gz OMYFMWMVNWVYNH-YVGDHZEHSA-N 0 3 196.294 1.163 10 0 ADAEHN CCCCN(C(=O)C1(N)CC1)C1CC1 83834848 572430894 /nfs/dbraw/zinc/43/08/94/572430894.db2.gz KBNWFLVRJFQGGL-UHFFFAOYSA-N 0 3 196.294 1.269 10 0 ADAEHN CCCNCc1cc(C2(C)CC2)n[nH]1 87367178 572430914 /nfs/dbraw/zinc/43/09/14/572430914.db2.gz CJIFEMSLEJRKAF-UHFFFAOYSA-N 0 3 193.294 1.961 10 0 ADAEHN COC(=O)[C@H](C)N1CCC[C@@H]1C(C)C 83825852 572431123 /nfs/dbraw/zinc/43/11/23/572431123.db2.gz ABMLUDIIDJZSNO-VHSXEESVSA-N 0 3 199.294 1.668 10 0 ADAEHN C[C@H](N(C)C(=O)C1(N)CC1)C(C)(C)C 83834820 572431172 /nfs/dbraw/zinc/43/11/72/572431172.db2.gz SYBMWJRAULGPSM-QMMMGPOBSA-N 0 3 198.310 1.371 10 0 ADAEHN C[C@@H](N(C)C(=O)C1(N)CC1)C(C)(C)C 83834822 572431464 /nfs/dbraw/zinc/43/14/64/572431464.db2.gz SYBMWJRAULGPSM-MRVPVSSYSA-N 0 3 198.310 1.371 10 0 ADAEHN CCCCCN(C)C(=O)C1(N)CC1 83834118 572431583 /nfs/dbraw/zinc/43/15/83/572431583.db2.gz UJXDTBOPOBVSHN-UHFFFAOYSA-N 0 3 184.283 1.126 10 0 ADAEHN CCCN(C(=O)C1(N)CC1)C(C)C 83834103 572431668 /nfs/dbraw/zinc/43/16/68/572431668.db2.gz PWLQLCXCAMSGLG-UHFFFAOYSA-N 0 3 184.283 1.125 10 0 ADAEHN CCC(CC)N(C)C(=O)C1(N)CC1 83834323 572431707 /nfs/dbraw/zinc/43/17/07/572431707.db2.gz IDZVROGEZRXKLK-UHFFFAOYSA-N 0 3 184.283 1.125 10 0 ADAEHN CC(C)(C)SCCNC1COC1 308021343 572431764 /nfs/dbraw/zinc/43/17/64/572431764.db2.gz UTALQFBOIWBWJD-UHFFFAOYSA-N 0 3 189.324 1.507 10 0 ADAEHN COC(OC)[C@@H](N)Cc1ccccc1 83824459 572431781 /nfs/dbraw/zinc/43/17/81/572431781.db2.gz IFUOZMQFLICJQQ-JTQLQIEISA-N 0 3 195.262 1.175 10 0 ADAEHN CC1(c2oncc2CNC2CC2)CC1 87368831 572431789 /nfs/dbraw/zinc/43/17/89/572431789.db2.gz XVGRDYHVEJDPRE-UHFFFAOYSA-N 0 3 192.262 1.978 10 0 ADAEHN CCCC[C@@H](C)NC(=O)C1(N)CC1 83835794 572431844 /nfs/dbraw/zinc/43/18/44/572431844.db2.gz JNEGAGRHYJJJGA-MRVPVSSYSA-N 0 3 184.283 1.173 10 0 ADAEHN C[C@@H](N)c1cc(-c2ccn(C)c2)n[nH]1 76634531 572431962 /nfs/dbraw/zinc/43/19/62/572431962.db2.gz CTYPNAHJXLVBJK-SSDOTTSWSA-N 0 3 190.250 1.435 10 0 ADAEHN CC(C)CN(C(=O)C1(N)CC1)C1CC1 83834807 572432012 /nfs/dbraw/zinc/43/20/12/572432012.db2.gz JECCZUCBXXFVOG-UHFFFAOYSA-N 0 3 196.294 1.125 10 0 ADAEHN CC(C)CN(C(=O)C1(N)CC1)C(C)C 83834846 572432042 /nfs/dbraw/zinc/43/20/42/572432042.db2.gz BIWJIDVRTLUQSR-UHFFFAOYSA-N 0 3 198.310 1.371 10 0 ADAEHN N[C@@H](CNCCF)c1cccs1 308022025 572432146 /nfs/dbraw/zinc/43/21/46/572432146.db2.gz VAQSAPNSWORISG-ZETCQYMHSA-N 0 3 188.271 1.307 10 0 ADAEHN Cn1c(C(F)(F)F)cc2c1CNC2 76634034 572432148 /nfs/dbraw/zinc/43/21/48/572432148.db2.gz IQUGYZNMVGGCHY-UHFFFAOYSA-N 0 3 190.168 1.647 10 0 ADAEHN Cn1c(C2CCC2)cc2c1CNCC2 76634791 572432178 /nfs/dbraw/zinc/43/21/78/572432178.db2.gz BIXZXYSBSIKLIZ-UHFFFAOYSA-N 0 3 190.290 1.938 10 0 ADAEHN CC(C)C(C)(C)C[C@@H](N)c1nc[nH]n1 713247611 572432209 /nfs/dbraw/zinc/43/22/09/572432209.db2.gz JQVPPZVUJBFZQY-MRVPVSSYSA-N 0 3 196.298 1.877 10 0 ADAEHN CC(C)C(C)(C)C[C@@H](N)c1nnc[nH]1 713247611 572432215 /nfs/dbraw/zinc/43/22/15/572432215.db2.gz JQVPPZVUJBFZQY-MRVPVSSYSA-N 0 3 196.298 1.877 10 0 ADAEHN CC(C)C[C@H](C)N(C)C(=O)C1(N)CC1 83834826 572432390 /nfs/dbraw/zinc/43/23/90/572432390.db2.gz RAULERMRNJQCOQ-VIFPVBQESA-N 0 3 198.310 1.371 10 0 ADAEHN CC1(c2cc(CNC3CC3)[nH]n2)CC1 87367182 572432392 /nfs/dbraw/zinc/43/23/92/572432392.db2.gz NJEXXZCTGSNDFU-UHFFFAOYSA-N 0 3 191.278 1.713 10 0 ADAEHN CCNCc1snnc1C1(C)CC1 87368654 572432587 /nfs/dbraw/zinc/43/25/87/572432587.db2.gz AQUDILNSTLHKES-UHFFFAOYSA-N 0 3 197.307 1.699 10 0 ADAEHN N[C@H](CNCCF)c1cccs1 308022024 572432631 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CN1CCC[C@@H]1[C@@H](N)c1ccncc1 250572924 572480883 /nfs/dbraw/zinc/48/08/83/572480883.db2.gz FBYNULBAWFJNHQ-MNOVXSKESA-N 0 3 191.278 1.176 10 0 ADAEHN Cc1nc(-c2nc(CN)cs2)c[nH]1 74246302 572480972 /nfs/dbraw/zinc/48/09/72/572480972.db2.gz KVJVMCVMDPWXMF-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN CN[C@@H](COC)c1ccc(C)s1 84008074 572481024 /nfs/dbraw/zinc/48/10/24/572481024.db2.gz RUWBRNIWPSNZSB-QMMMGPOBSA-N 0 3 185.292 1.963 10 0 ADAEHN Cc1cc(-c2nc(CN)cs2)n[nH]1 74246294 572481100 /nfs/dbraw/zinc/48/11/00/572481100.db2.gz WEDXBDQTEIOBQM-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN CN[C@H](COC)c1ccc(C)s1 84008072 572481201 /nfs/dbraw/zinc/48/12/01/572481201.db2.gz RUWBRNIWPSNZSB-MRVPVSSYSA-N 0 3 185.292 1.963 10 0 ADAEHN CN(C)[C@H](CN)c1cc2c(o1)CCC2 74246223 572481624 /nfs/dbraw/zinc/48/16/24/572481624.db2.gz ONSXNLORSSJHRY-SECBINFHSA-N 0 3 194.278 1.330 10 0 ADAEHN Cc1oc(C)c2c1CCN(C)[C@H]2CN 74246242 572481661 /nfs/dbraw/zinc/48/16/61/572481661.db2.gz PYPOLSOGAVHGKS-JTQLQIEISA-N 0 3 194.278 1.384 10 0 ADAEHN Cc1c[nH]c(-c2nc(CN)cs2)n1 74246298 572481791 /nfs/dbraw/zinc/48/17/91/572481791.db2.gz DUFAULOHGKMEKM-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN Cc1coc([C@H](CN)N2CCCC2)c1 74246221 572481833 /nfs/dbraw/zinc/48/18/33/572481833.db2.gz NHEXMFYXOBVXGI-JTQLQIEISA-N 0 3 194.278 1.684 10 0 ADAEHN O=Cc1cc(CCN2CCCC2)on1 74246795 572481903 /nfs/dbraw/zinc/48/19/03/572481903.db2.gz RJTMPUPRGMWFMV-UHFFFAOYSA-N 0 3 194.234 1.125 10 0 ADAEHN CCNCC(=O)N1C[C@H](C)CC[C@H]1C 84048594 572481926 /nfs/dbraw/zinc/48/19/26/572481926.db2.gz XEFKSTOHJXRKHE-NXEZZACHSA-N 0 3 198.310 1.243 10 0 ADAEHN N=C1Nc2ccccc2[C@@H]2COC[C@H]12 141377301 572481929 /nfs/dbraw/zinc/48/19/29/572481929.db2.gz MYAOQNACYBVKOD-IUCAKERBSA-N 0 3 188.230 1.419 10 0 ADAEHN NC[C@@](F)(Cc1ccoc1)C1CC1 158406535 572482055 /nfs/dbraw/zinc/48/20/55/572482055.db2.gz UWAWZBIQMMHNHG-JTQLQIEISA-N 0 3 183.226 1.899 10 0 ADAEHN Cc1n[nH]cc1-c1sncc1CN 74246282 572482080 /nfs/dbraw/zinc/48/20/80/572482080.db2.gz PPEGNIXLCFUHCE-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN C[C@H](N)c1nc2c(F)cc(F)cc2[nH]1 62152814 572482195 /nfs/dbraw/zinc/48/21/95/572482195.db2.gz HXHUHURTAPZZFL-BYPYZUCNSA-N 0 3 197.188 1.861 10 0 ADAEHN Cn1cc(-c2sncc2CN)cn1 74246283 572482197 /nfs/dbraw/zinc/48/21/97/572482197.db2.gz ZUCCZHMILGDONZ-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN N[C@@H](Cc1cncs1)c1cc[nH]n1 74246315 572482305 /nfs/dbraw/zinc/48/23/05/572482305.db2.gz HUUTVHZFWWNXEI-ZETCQYMHSA-N 0 3 194.263 1.109 10 0 ADAEHN CCNCC(=O)N1C[C@@H](C)CC[C@@H]1C 84048589 572482373 /nfs/dbraw/zinc/48/23/73/572482373.db2.gz XEFKSTOHJXRKHE-UWVGGRQHSA-N 0 3 198.310 1.243 10 0 ADAEHN Cc1ccoc1[C@H](CN)N1CCCC1 74246219 572482378 /nfs/dbraw/zinc/48/23/78/572482378.db2.gz VNMCNXGILUNDKI-JTQLQIEISA-N 0 3 194.278 1.684 10 0 ADAEHN CC[C@@]1(C)NC(=S)[C@@](C)(CC)N1 141475723 572482391 /nfs/dbraw/zinc/48/23/91/572482391.db2.gz SMWJPDLCKVHEQL-BDAKNGLRSA-N 0 3 186.324 1.802 10 0 ADAEHN N=C1Nc2ccccc2[C@@H]2COC[C@@H]12 141377106 572482500 /nfs/dbraw/zinc/48/25/00/572482500.db2.gz MYAOQNACYBVKOD-DTWKUNHWSA-N 0 3 188.230 1.419 10 0 ADAEHN Cc1cc(-c2sncc2CN)n[nH]1 74246267 572482765 /nfs/dbraw/zinc/48/27/65/572482765.db2.gz YNYRGRPXSAMFCT-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN Cc1ccoc1[C@@H](CN)N1CCCC1 74246218 572482964 /nfs/dbraw/zinc/48/29/64/572482964.db2.gz VNMCNXGILUNDKI-SNVBAGLBSA-N 0 3 194.278 1.684 10 0 ADAEHN N=C1Nc2ccccc2[C@H]2COC[C@H]12 141377487 572483025 /nfs/dbraw/zinc/48/30/25/572483025.db2.gz MYAOQNACYBVKOD-BDAKNGLRSA-N 0 3 188.230 1.419 10 0 ADAEHN CCNCC(=O)N1C[C@H](C)CC[C@@H]1C 84048585 572483454 /nfs/dbraw/zinc/48/34/54/572483454.db2.gz XEFKSTOHJXRKHE-ZJUUUORDSA-N 0 3 198.310 1.243 10 0 ADAEHN Cc1oc(C)c2c1CCN(C)[C@@H]2CN 74246243 572483492 /nfs/dbraw/zinc/48/34/92/572483492.db2.gz PYPOLSOGAVHGKS-SNVBAGLBSA-N 0 3 194.278 1.384 10 0 ADAEHN Cc1nc[nH]c1-c1nc(CN)cs1 74246301 572483571 /nfs/dbraw/zinc/48/35/71/572483571.db2.gz AKSLNOXELAWPQK-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN 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1.288 10 0 ADAEHN CCC[C@H](O)CC(=O)CCN(C)C 238261519 572484556 /nfs/dbraw/zinc/48/45/56/572484556.db2.gz DHQNNDPRKARBQA-VIFPVBQESA-N 0 3 187.283 1.058 10 0 ADAEHN CN1CC[C@H](c2ccco2)[C@@H](N)C1 250580351 572484963 /nfs/dbraw/zinc/48/49/63/572484963.db2.gz FYQMEDWUQRMIOG-IUCAKERBSA-N 0 3 180.251 1.026 10 0 ADAEHN C[C@H](N)c1ccn(-c2nccs2)n1 74246325 572485015 /nfs/dbraw/zinc/48/50/15/572485015.db2.gz SQWXLOIEXGTDMM-LURJTMIESA-N 0 3 194.263 1.349 10 0 ADAEHN Cc1ncc(C2=CCCNC2)o1 141304440 572485101 /nfs/dbraw/zinc/48/51/01/572485101.db2.gz MSUKOGYIDCEXMZ-UHFFFAOYSA-N 0 3 164.208 1.360 10 0 ADAEHN N[C@@H](Cc1ccco1)c1cnsc1 74246385 572485139 /nfs/dbraw/zinc/48/51/39/572485139.db2.gz SZDJBZFQFPGPGD-VIFPVBQESA-N 0 3 194.259 1.979 10 0 ADAEHN CCSCCNc1nccn1C 308040690 572485387 /nfs/dbraw/zinc/48/53/87/572485387.db2.gz NDYLAJFJLLKGAU-UHFFFAOYSA-N 0 3 185.296 1.585 10 0 ADAEHN CN1CCc2c(F)cccc2[C@H]1CN 74246427 572485393 /nfs/dbraw/zinc/48/53/93/572485393.db2.gz UPQSHUMRKULKOD-LLVKDONJSA-N 0 3 194.253 1.313 10 0 ADAEHN CC(C)c1[n-]oc(=O)c1CC[NH3+] 250582882 572485427 /nfs/dbraw/zinc/48/54/27/572485427.db2.gz WTZWQPZIFBBLNS-UHFFFAOYSA-N 0 3 170.212 1.005 10 0 ADAEHN CN1CCc2ccc(F)cc2[C@H]1CN 74246419 572485768 /nfs/dbraw/zinc/48/57/68/572485768.db2.gz PYKPQAZTSZKEIL-LLVKDONJSA-N 0 3 194.253 1.313 10 0 ADAEHN C[C@@H](CN(C)C)Oc1cccnc1 713963255 572485892 /nfs/dbraw/zinc/48/58/92/572485892.db2.gz RDTDINDIHROEBE-VIFPVBQESA-N 0 3 180.251 1.411 10 0 ADAEHN NC[C@H](O)c1cc2cc[nH]c2cc1F 74246939 572485906 /nfs/dbraw/zinc/48/59/06/572485906.db2.gz KQYSNXNZWPXFPP-JTQLQIEISA-N 0 3 194.209 1.299 10 0 ADAEHN CCCn1cc([C@@H](N)COCC)cn1 84064036 572489294 /nfs/dbraw/zinc/48/92/94/572489294.db2.gz LSVIYMUJVUWKGF-JTQLQIEISA-N 0 3 197.282 1.329 10 0 ADAEHN CCOc1cc(CN)c(N)cc1OC 238264859 572486055 /nfs/dbraw/zinc/48/60/55/572486055.db2.gz UXBLMPKOJIJZGH-UHFFFAOYSA-N 0 3 196.250 1.135 10 0 ADAEHN CN(C)[C@H]1Cc2ccc(F)cc2[C@@H]1N 74246415 572486376 /nfs/dbraw/zinc/48/63/76/572486376.db2.gz 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74269899 572522802 /nfs/dbraw/zinc/52/28/02/572522802.db2.gz XQFZQQOUEXTNAG-PHDIDXHHSA-N 0 3 192.222 1.146 10 0 ADAEHN [NH3+][C@@H]1CCC[C@H]1c1nc2oncc2[n-]1 74269899 572522806 /nfs/dbraw/zinc/52/28/06/572522806.db2.gz XQFZQQOUEXTNAG-PHDIDXHHSA-N 0 3 192.222 1.146 10 0 ADAEHN C[C@@H](O)[C@@H](N)c1coc2ncccc12 74270069 572522856 /nfs/dbraw/zinc/52/28/56/572522856.db2.gz DJQMNQDFPZWDCW-HZGVNTEJSA-N 0 3 192.218 1.208 10 0 ADAEHN Cc1cc(-n2ccc([C@H](C)N)n2)no1 74270028 572522877 /nfs/dbraw/zinc/52/28/77/572522877.db2.gz YRONGUNEUYBZFZ-ZETCQYMHSA-N 0 3 192.222 1.188 10 0 ADAEHN C[C@H](O)[C@@H](N)c1cnc2occc2c1 74270093 572522886 /nfs/dbraw/zinc/52/28/86/572522886.db2.gz XTRPXQGRTFZHIY-IMTBSYHQSA-N 0 3 192.218 1.208 10 0 ADAEHN CN1CCC[C@@H]1[C@@H](N)c1cccnc1 250662210 572522969 /nfs/dbraw/zinc/52/29/69/572522969.db2.gz YZBGKZSIJUDYLI-MNOVXSKESA-N 0 3 191.278 1.176 10 0 ADAEHN C[C@@H](O)[C@H](N)c1coc2ncccc12 74270064 572522991 /nfs/dbraw/zinc/52/29/91/572522991.db2.gz DJQMNQDFPZWDCW-MUWHJKNJSA-N 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87582377 572575612 /nfs/dbraw/zinc/57/56/12/572575612.db2.gz ICBQFBJEWDMDCT-JTQLQIEISA-N 0 3 193.294 1.964 10 0 ADAEHN CCCNCc1c[nH]c(C2(C)CC2)n1 87554075 572575819 /nfs/dbraw/zinc/57/58/19/572575819.db2.gz UCWUFYNRHBMYNK-UHFFFAOYSA-N 0 3 193.294 1.961 10 0 ADAEHN CC(C)NCc1c[nH]c(C2(C)CC2)n1 87554076 572575932 /nfs/dbraw/zinc/57/59/32/572575932.db2.gz ZHLHKGYDAAKGBA-UHFFFAOYSA-N 0 3 193.294 1.959 10 0 ADAEHN CCNCc1c[nH]c(C2(C)CC2)n1 87554074 572576069 /nfs/dbraw/zinc/57/60/69/572576069.db2.gz DSRYNAJTQSFXEA-UHFFFAOYSA-N 0 3 179.267 1.571 10 0 ADAEHN CCNCc1cnc(C2(C)CC2)[nH]1 87554074 572576071 /nfs/dbraw/zinc/57/60/71/572576071.db2.gz DSRYNAJTQSFXEA-UHFFFAOYSA-N 0 3 179.267 1.571 10 0 ADAEHN CCn1nccc1[C@H](N)CC1CC1 87581809 572576145 /nfs/dbraw/zinc/57/61/45/572576145.db2.gz QGGGJYBKPNFLCI-SECBINFHSA-N 0 3 179.267 1.703 10 0 ADAEHN Nc1ccncc1CC(=O)CC1CC1 87580739 572577575 /nfs/dbraw/zinc/57/75/75/572577575.db2.gz XDTOOGXWZWSKRM-UHFFFAOYSA-N 0 3 190.246 1.576 10 0 ADAEHN 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1.703 10 0 ADAEHN [NH3+]CCCc1c(C2CC2)[n-]oc1=O 251472679 572577238 /nfs/dbraw/zinc/57/72/38/572577238.db2.gz VYWWMWVLUIKYEV-UHFFFAOYSA-N 0 3 182.223 1.149 10 0 ADAEHN CCn1nccc1[C@@H](N)CC1CC1 87581811 572577276 /nfs/dbraw/zinc/57/72/76/572577276.db2.gz QGGGJYBKPNFLCI-VIFPVBQESA-N 0 3 179.267 1.703 10 0 ADAEHN CN[C@@H](CC1CC1)c1cncnc1 87582168 572577499 /nfs/dbraw/zinc/57/74/99/572577499.db2.gz NTBGYERRDIXQKY-JTQLQIEISA-N 0 3 177.251 1.537 10 0 ADAEHN COCOC1(c2ccccc2)CNC1 238340386 572577599 /nfs/dbraw/zinc/57/75/99/572577599.db2.gz HPWZRVJMXMYRST-UHFFFAOYSA-N 0 3 193.246 1.106 10 0 ADAEHN CC(C)NCc1c[nH]c(CC2CC2)n1 87583892 572577826 /nfs/dbraw/zinc/57/78/26/572577826.db2.gz IHPNCQFUYFIVGZ-UHFFFAOYSA-N 0 3 193.294 1.860 10 0 ADAEHN CCN1CCC[C@@H](N)[C@@H]1c1ccco1 69799305 572577877 /nfs/dbraw/zinc/57/78/77/572577877.db2.gz NGPJFYJGPBCFCT-MWLCHTKSSA-N 0 3 194.278 1.764 10 0 ADAEHN CCNCc1c[nH]c(CC2CC2)n1 87583888 572578061 /nfs/dbraw/zinc/57/80/61/572578061.db2.gz PYILEIJNSHFSOZ-UHFFFAOYSA-N 0 3 179.267 1.472 10 0 ADAEHN CCNCc1cnc(CC2CC2)[nH]1 87583888 572578066 /nfs/dbraw/zinc/57/80/66/572578066.db2.gz PYILEIJNSHFSOZ-UHFFFAOYSA-N 0 3 179.267 1.472 10 0 ADAEHN N[C@@H]1CCN(C2CC2)[C@H]1c1ccco1 69800175 572578127 /nfs/dbraw/zinc/57/81/27/572578127.db2.gz OGIVDSGKJKJFNO-MWLCHTKSSA-N 0 3 192.262 1.516 10 0 ADAEHN CCNCc1cnc(CC2CC2)nc1 87583762 572578149 /nfs/dbraw/zinc/57/81/49/572578149.db2.gz YRBWQDQEDSVVPT-UHFFFAOYSA-N 0 3 191.278 1.539 10 0 ADAEHN CCN[C@@H](CC1CC1)c1cncnc1 87582656 572578335 /nfs/dbraw/zinc/57/83/35/572578335.db2.gz PQWIEFCSLWFGFD-NSHDSACASA-N 0 3 191.278 1.927 10 0 ADAEHN CCN[C@H](CC1CC1)c1cncnc1 87582658 572578420 /nfs/dbraw/zinc/57/84/20/572578420.db2.gz PQWIEFCSLWFGFD-LLVKDONJSA-N 0 3 191.278 1.927 10 0 ADAEHN CNCc1ccnc(CC2CC2)n1 87583730 572578556 /nfs/dbraw/zinc/57/85/56/572578556.db2.gz BSMYTIYXVHMGHY-UHFFFAOYSA-N 0 3 177.251 1.149 10 0 ADAEHN Cl/C=C/CNCCn1ccnc1 236013813 572578633 /nfs/dbraw/zinc/57/86/33/572578633.db2.gz HSYNPPAPRJGUGW-OWOJBTEDSA-N 0 3 185.658 1.225 10 0 ADAEHN Cl/C=C/CNC[C@H]1CCCCO1 236014236 572578652 /nfs/dbraw/zinc/57/86/52/572578652.db2.gz SYHADDFDNGJASP-HYYFJVDXSA-N 0 3 189.686 1.898 10 0 ADAEHN CNCc1cc(C)nc(CC2CC2)n1 87583749 572578723 /nfs/dbraw/zinc/57/87/23/572578723.db2.gz YTZORCGTXWPDBF-UHFFFAOYSA-N 0 3 191.278 1.457 10 0 ADAEHN N[C@@H]1CCN(C2CC2)[C@@H]1c1ccco1 69800173 572578809 /nfs/dbraw/zinc/57/88/09/572578809.db2.gz OGIVDSGKJKJFNO-KOLCDFICSA-N 0 3 192.262 1.516 10 0 ADAEHN CC(C)C[C@@](O)(CN)c1ccco1 74299336 572578817 /nfs/dbraw/zinc/57/88/17/572578817.db2.gz AESFIPYMQQQBKG-SNVBAGLBSA-N 0 3 183.251 1.472 10 0 ADAEHN Cc1ccc([C@](O)(CN)C(C)C)o1 74299349 572578840 /nfs/dbraw/zinc/57/88/40/572578840.db2.gz ILHOMAQUQCSZAL-JTQLQIEISA-N 0 3 183.251 1.390 10 0 ADAEHN CCN1CCC[C@H](N)[C@@H]1c1ccco1 69799303 572578898 /nfs/dbraw/zinc/57/88/98/572578898.db2.gz NGPJFYJGPBCFCT-GXSJLCMTSA-N 0 3 194.278 1.764 10 0 ADAEHN CCC[C@H](N)c1cnn(C)c1OC 74299276 572579011 /nfs/dbraw/zinc/57/90/11/572579011.db2.gz KJLJXJVSXGTPRN-QMMMGPOBSA-N 0 3 183.255 1.229 10 0 ADAEHN N[C@H]1CCN(C2CC2)[C@H]1c1ccco1 69800180 572579040 /nfs/dbraw/zinc/57/90/40/572579040.db2.gz OGIVDSGKJKJFNO-GXSJLCMTSA-N 0 3 192.262 1.516 10 0 ADAEHN CCO[C@H]1C[C@H](OCC)CN(C)C1 114711272 572579343 /nfs/dbraw/zinc/57/93/43/572579343.db2.gz GHLYELWCFWKEDB-UWVGGRQHSA-N 0 3 187.283 1.132 10 0 ADAEHN Cl/C=C/CNCCc1ccccn1 236013683 572579484 /nfs/dbraw/zinc/57/94/84/572579484.db2.gz AKYHZLAGJUXLOE-ZZXKWVIFSA-N 0 3 196.681 1.966 10 0 ADAEHN Cc1cc([C@@H](CN)N(C)C)c(C)o1 74300465 572583530 /nfs/dbraw/zinc/58/35/30/572583530.db2.gz AVGMJODOQXIUNK-SNVBAGLBSA-N 0 3 182.267 1.458 10 0 ADAEHN CNCc1cnc(CC2CC2)s1 87583229 572579790 /nfs/dbraw/zinc/57/97/90/572579790.db2.gz XOCNBXOXAZFAHG-UHFFFAOYSA-N 0 3 182.292 1.815 10 0 ADAEHN CN[C@H](CC1CC1)c1cccnc1N 87582472 572579889 /nfs/dbraw/zinc/57/98/89/572579889.db2.gz RXIYPWBJHDZHBS-SNVBAGLBSA-N 0 3 191.278 1.724 10 0 ADAEHN CCc1cc([C@@H](O)CN)oc1CC 74299319 572580031 /nfs/dbraw/zinc/58/00/31/572580031.db2.gz HITOXRROHLKBGH-QMMMGPOBSA-N 0 3 183.251 1.397 10 0 ADAEHN CCN[C@H](CC1CC1)c1nccn1C 87582618 572580234 /nfs/dbraw/zinc/58/02/34/572580234.db2.gz RHGCWBXLLHISLB-SNVBAGLBSA-N 0 3 193.294 1.871 10 0 ADAEHN Cl/C=C/CNCCc1cccnc1 236013700 572580633 /nfs/dbraw/zinc/58/06/33/572580633.db2.gz MGTTZQYJXRNOOW-GORDUTHDSA-N 0 3 196.681 1.966 10 0 ADAEHN N[C@H]1CCN(C2CC2)[C@@H]1c1ccco1 69800176 572580651 /nfs/dbraw/zinc/58/06/51/572580651.db2.gz OGIVDSGKJKJFNO-ONGXEEELSA-N 0 3 192.262 1.516 10 0 ADAEHN Cc1ccc([C@@](O)(CN)C(C)C)o1 74299348 572580901 /nfs/dbraw/zinc/58/09/01/572580901.db2.gz ILHOMAQUQCSZAL-SNVBAGLBSA-N 0 3 183.251 1.390 10 0 ADAEHN CCO[C@@H]1C[C@@H](OCC)CN(C)C1 114711273 572580926 /nfs/dbraw/zinc/58/09/26/572580926.db2.gz GHLYELWCFWKEDB-NXEZZACHSA-N 0 3 187.283 1.132 10 0 ADAEHN COCOC[C@H](N)c1ccccc1 238344259 572580988 /nfs/dbraw/zinc/58/09/88/572580988.db2.gz PWUHEOYAPSCJCA-JTQLQIEISA-N 0 3 181.235 1.307 10 0 ADAEHN CCO[C@H]1C[C@@H](OCC)CN(C)C1 114711270 572581041 /nfs/dbraw/zinc/58/10/41/572581041.db2.gz GHLYELWCFWKEDB-AOOOYVTPSA-N 0 3 187.283 1.132 10 0 ADAEHN CCNCc1ccnc(CC2CC2)n1 87583732 572581059 /nfs/dbraw/zinc/58/10/59/572581059.db2.gz CSOWKQVDPBLZTD-UHFFFAOYSA-N 0 3 191.278 1.539 10 0 ADAEHN CCN[C@@H](CC1CC1)c1nccn1C 87582616 572581079 /nfs/dbraw/zinc/58/10/79/572581079.db2.gz RHGCWBXLLHISLB-JTQLQIEISA-N 0 3 193.294 1.871 10 0 ADAEHN CN[C@@H](CC1CC1)c1cccnc1N 87582470 572581147 /nfs/dbraw/zinc/58/11/47/572581147.db2.gz RXIYPWBJHDZHBS-JTQLQIEISA-N 0 3 191.278 1.724 10 0 ADAEHN c1[nH]c(CC2CC2)nc1CNC1CC1 87583894 572581180 /nfs/dbraw/zinc/58/11/80/572581180.db2.gz QEUALGRXLAXZFU-UHFFFAOYSA-N 0 3 191.278 1.614 10 0 ADAEHN c1nc(CC2CC2)[nH]c1CNC1CC1 87583894 572581184 /nfs/dbraw/zinc/58/11/84/572581184.db2.gz QEUALGRXLAXZFU-UHFFFAOYSA-N 0 3 191.278 1.614 10 0 ADAEHN CNCc1cnc(CC2CC2)nc1 87583761 572581248 /nfs/dbraw/zinc/58/12/48/572581248.db2.gz RMFLHQYNKNHEDP-UHFFFAOYSA-N 0 3 177.251 1.149 10 0 ADAEHN CCC[C@@H](N)c1cnn(C)c1OC 74299277 572581283 /nfs/dbraw/zinc/58/12/83/572581283.db2.gz KJLJXJVSXGTPRN-MRVPVSSYSA-N 0 3 183.255 1.229 10 0 ADAEHN CCc1cc([C@H](O)CN)oc1CC 74299317 572581292 /nfs/dbraw/zinc/58/12/92/572581292.db2.gz HITOXRROHLKBGH-MRVPVSSYSA-N 0 3 183.251 1.397 10 0 ADAEHN CCCNCc1c[nH]c(CC2CC2)n1 87583890 572581408 /nfs/dbraw/zinc/58/14/08/572581408.db2.gz INGUQPARRQRCCI-UHFFFAOYSA-N 0 3 193.294 1.862 10 0 ADAEHN Cl/C=C/CNCCOCC1CC1 236013471 572581611 /nfs/dbraw/zinc/58/16/11/572581611.db2.gz KAULZBRBVQHSMZ-DAFODLJHSA-N 0 3 189.686 1.755 10 0 ADAEHN Cl/C=C/CNCCc1ccncc1 236013752 572581960 /nfs/dbraw/zinc/58/19/60/572581960.db2.gz TWJVYGJLXYDCQG-ORCRQEGFSA-N 0 3 196.681 1.966 10 0 ADAEHN C[C@H](C1CCCC1)N1CC[C@@H](N)C1=O 69805232 572582335 /nfs/dbraw/zinc/58/23/35/572582335.db2.gz HWZGMFWFYJAMBB-PSASIEDQSA-N 0 3 196.294 1.125 10 0 ADAEHN Cc1c([C@@H](N)CC(C)C)nnn1C 74300281 572582510 /nfs/dbraw/zinc/58/25/10/572582510.db2.gz YHQVNOORWKKLMB-QMMMGPOBSA-N 0 3 182.271 1.169 10 0 ADAEHN COc1csc([C@@H](N)CCO)c1 238350337 572582527 /nfs/dbraw/zinc/58/25/27/572582527.db2.gz RCUPPGQTLMZRGC-ZETCQYMHSA-N 0 3 187.264 1.139 10 0 ADAEHN CCc1nnc([C@@H](N)CC)n1CC 74300223 572582539 /nfs/dbraw/zinc/58/25/39/572582539.db2.gz NWNMNSNRQYIHOL-ZETCQYMHSA-N 0 3 182.271 1.270 10 0 ADAEHN COc1csc([C@H](N)CCO)c1 238350505 572582628 /nfs/dbraw/zinc/58/26/28/572582628.db2.gz RCUPPGQTLMZRGC-SSDOTTSWSA-N 0 3 187.264 1.139 10 0 ADAEHN C[C@]1(F)CCN(CCCCO)C1 308066928 572582635 /nfs/dbraw/zinc/58/26/35/572582635.db2.gz ZEDYQSSZESUMTE-VIFPVBQESA-N 0 3 175.247 1.193 10 0 ADAEHN C[C@@H](C1CCCC1)N1CC[C@@H](N)C1=O 69805229 572582797 /nfs/dbraw/zinc/58/27/97/572582797.db2.gz HWZGMFWFYJAMBB-WCBMZHEXSA-N 0 3 196.294 1.125 10 0 ADAEHN CN[C@@H](CCO)c1cccc(F)c1C 238350685 572582976 /nfs/dbraw/zinc/58/29/76/572582976.db2.gz FBHOYAHDEFYMPC-NSHDSACASA-N 0 3 197.253 1.777 10 0 ADAEHN CCn1cc([C@H]2NC[C@H]2C(C)C)nn1 714508335 572583111 /nfs/dbraw/zinc/58/31/11/572583111.db2.gz OHXTTZBKWBLETO-WPRPVWTQSA-N 0 3 194.282 1.215 10 0 ADAEHN COCCCNc1cccc(=O)[nH]1 238350322 572583415 /nfs/dbraw/zinc/58/34/15/572583415.db2.gz PSENCTFYGQLWCW-UHFFFAOYSA-N 0 3 182.223 1.236 10 0 ADAEHN Cc1c([C@H](N)CC(C)C)nnn1C 74300279 572583454 /nfs/dbraw/zinc/58/34/54/572583454.db2.gz YHQVNOORWKKLMB-MRVPVSSYSA-N 0 3 182.271 1.169 10 0 ADAEHN N[C@@H](CCO)c1cc2ccoc2cn1 214679895 572583556 /nfs/dbraw/zinc/58/35/56/572583556.db2.gz LXZGXVBZQYSJRX-QMMMGPOBSA-N 0 3 192.218 1.210 10 0 ADAEHN CNC(=O)C[C@H](NC)c1ccccc1 238344959 572583567 /nfs/dbraw/zinc/58/35/67/572583567.db2.gz ISBNQENYDQSICG-JTQLQIEISA-N 0 3 192.262 1.083 10 0 ADAEHN Cc1cc([C@H](CN)N(C)C)c(C)o1 74300466 572583635 /nfs/dbraw/zinc/58/36/35/572583635.db2.gz AVGMJODOQXIUNK-JTQLQIEISA-N 0 3 182.267 1.458 10 0 ADAEHN C[C@@H](C[NH3+])c1ccc2ocnc2c1[O-] 214678833 572583707 /nfs/dbraw/zinc/58/37/07/572583707.db2.gz RPQUUIKIFAJMGT-LURJTMIESA-N 0 3 192.218 1.596 10 0 ADAEHN COC(=O)C[C@@](C)(N)c1ccoc1 238350293 572583985 /nfs/dbraw/zinc/58/39/85/572583985.db2.gz CRMSEAAGIFLORO-SECBINFHSA-N 0 3 183.207 1.017 10 0 ADAEHN C[C@@H](C1CCCC1)N1CC[C@H](N)C1=O 69805224 572584016 /nfs/dbraw/zinc/58/40/16/572584016.db2.gz HWZGMFWFYJAMBB-WPRPVWTQSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@H](N)c1csc2c1C(=O)NC2 74300553 572584132 /nfs/dbraw/zinc/58/41/32/572584132.db2.gz ILGACNKAUWGFNM-BYPYZUCNSA-N 0 3 182.248 1.011 10 0 ADAEHN N[C@H](CCO)c1coc2ccncc12 214680092 572584285 /nfs/dbraw/zinc/58/42/85/572584285.db2.gz ZDNWOVZARAYVTD-SECBINFHSA-N 0 3 192.218 1.210 10 0 ADAEHN C[C@@]1(F)CCN(CCCCO)C1 308066925 572584498 /nfs/dbraw/zinc/58/44/98/572584498.db2.gz ZEDYQSSZESUMTE-SECBINFHSA-N 0 3 175.247 1.193 10 0 ADAEHN C[C@H](C1CCCC1)N1CC[C@H](N)C1=O 69805228 572584526 /nfs/dbraw/zinc/58/45/26/572584526.db2.gz HWZGMFWFYJAMBB-SCZZXKLOSA-N 0 3 196.294 1.125 10 0 ADAEHN N[C@@H](CCO)c1coc2ccncc12 214680141 572584680 /nfs/dbraw/zinc/58/46/80/572584680.db2.gz ZDNWOVZARAYVTD-VIFPVBQESA-N 0 3 192.218 1.210 10 0 ADAEHN N[C@H](CCO)c1cc2ccoc2cn1 214679840 572584728 /nfs/dbraw/zinc/58/47/28/572584728.db2.gz LXZGXVBZQYSJRX-MRVPVSSYSA-N 0 3 192.218 1.210 10 0 ADAEHN C[C@H](C[NH3+])c1ccc2ocnc2c1[O-] 214678883 572584884 /nfs/dbraw/zinc/58/48/84/572584884.db2.gz RPQUUIKIFAJMGT-ZCFIWIBFSA-N 0 3 192.218 1.596 10 0 ADAEHN CCc1nnc([C@H](N)CC)n1CC 74300221 572584944 /nfs/dbraw/zinc/58/49/44/572584944.db2.gz NWNMNSNRQYIHOL-SSDOTTSWSA-N 0 3 182.271 1.270 10 0 ADAEHN [NH3+]CCCc1ccc2ocnc2c1[O-] 214678686 572584966 /nfs/dbraw/zinc/58/49/66/572584966.db2.gz AYGPWIRUTUALBF-UHFFFAOYSA-N 0 3 192.218 1.425 10 0 ADAEHN N[C@@H](CCO)c1coc2ncccc12 214680406 572585072 /nfs/dbraw/zinc/58/50/72/572585072.db2.gz LJFQMADJQQXFSR-VIFPVBQESA-N 0 3 192.218 1.210 10 0 ADAEHN Nc1sccc1CN1CCCC1 74300096 572585311 /nfs/dbraw/zinc/58/53/11/572585311.db2.gz USIRLXMZIQFYNX-UHFFFAOYSA-N 0 3 182.292 1.926 10 0 ADAEHN CN(CCOC(F)(F)F)C1CC1 308069581 572585445 /nfs/dbraw/zinc/58/54/45/572585445.db2.gz AMXYFOXLZGMWGS-UHFFFAOYSA-N 0 3 183.173 1.617 10 0 ADAEHN CN1CCc2cscc2[C@H]1CN 74300103 572585508 /nfs/dbraw/zinc/58/55/08/572585508.db2.gz YCRIJLXLJYHLGF-SECBINFHSA-N 0 3 182.292 1.236 10 0 ADAEHN CNC(=O)C[C@@H](NC)c1ccccc1 238347818 572585830 /nfs/dbraw/zinc/58/58/30/572585830.db2.gz ISBNQENYDQSICG-SNVBAGLBSA-N 0 3 192.262 1.083 10 0 ADAEHN N[C@H](CCO)c1coc2cnccc12 214680220 572586223 /nfs/dbraw/zinc/58/62/23/572586223.db2.gz CISXUDIMSDPMNT-SECBINFHSA-N 0 3 192.218 1.210 10 0 ADAEHN CN1CCc2cscc2[C@@H]1CN 74300102 572586275 /nfs/dbraw/zinc/58/62/75/572586275.db2.gz YCRIJLXLJYHLGF-VIFPVBQESA-N 0 3 182.292 1.236 10 0 ADAEHN N[C@H](CCO)c1coc2cccnc12 214679964 572586283 /nfs/dbraw/zinc/58/62/83/572586283.db2.gz ZAUOESWZADCQBT-MRVPVSSYSA-N 0 3 192.218 1.210 10 0 ADAEHN CCOC[C@@H](C)NCC1(F)CC1 308069585 572586464 /nfs/dbraw/zinc/58/64/64/572586464.db2.gz ANHBMKXOJKCYCG-MRVPVSSYSA-N 0 3 175.247 1.503 10 0 ADAEHN CCC[C@](N)(CO)c1cccc(O)c1 714093322 572586598 /nfs/dbraw/zinc/58/65/98/572586598.db2.gz PJACTWZYUDBUFU-NSHDSACASA-N 0 3 195.262 1.339 10 0 ADAEHN CNC[C@@H](O)c1cc2ncccc2o1 214677995 572586777 /nfs/dbraw/zinc/58/67/77/572586777.db2.gz TTWLSHMCIRVSHS-MRVPVSSYSA-N 0 3 192.218 1.081 10 0 ADAEHN CNC[C@H](O)c1cc2ncccc2o1 214677939 572586787 /nfs/dbraw/zinc/58/67/87/572586787.db2.gz TTWLSHMCIRVSHS-QMMMGPOBSA-N 0 3 192.218 1.081 10 0 ADAEHN N[C@H](CCO)c1ccc2conc2c1 214680862 572586806 /nfs/dbraw/zinc/58/68/06/572586806.db2.gz FPDAZRZZHODYLT-SECBINFHSA-N 0 3 192.218 1.210 10 0 ADAEHN CCC[C@](N)(CO)c1ccccc1F 714093083 572587023 /nfs/dbraw/zinc/58/70/23/572587023.db2.gz MGQOVFVSZCPKGP-NSHDSACASA-N 0 3 197.253 1.772 10 0 ADAEHN N[C@@H](CCO)c1coc2cccnc12 214680021 572587080 /nfs/dbraw/zinc/58/70/80/572587080.db2.gz ZAUOESWZADCQBT-QMMMGPOBSA-N 0 3 192.218 1.210 10 0 ADAEHN COc1cscc1[C@@H](N)CCO 238350933 572587135 /nfs/dbraw/zinc/58/71/35/572587135.db2.gz VVIXKDAMUZOCHS-ZETCQYMHSA-N 0 3 187.264 1.139 10 0 ADAEHN C[C@H]1NC[C@@H](C2CCC2)O[C@@H]1C 87586381 572587366 /nfs/dbraw/zinc/58/73/66/572587366.db2.gz QCJOWAXWTIKZKJ-MRTMQBJTSA-N 0 3 169.268 1.552 10 0 ADAEHN N[C@@H](CCO)c1ccc2conc2c1 214680913 572587431 /nfs/dbraw/zinc/58/74/31/572587431.db2.gz FPDAZRZZHODYLT-VIFPVBQESA-N 0 3 192.218 1.210 10 0 ADAEHN N[C@@H](CCO)c1coc2cnccc12 214680272 572587482 /nfs/dbraw/zinc/58/74/82/572587482.db2.gz CISXUDIMSDPMNT-VIFPVBQESA-N 0 3 192.218 1.210 10 0 ADAEHN CCC[C@@](N)(CO)c1ccccc1F 714093080 572587960 /nfs/dbraw/zinc/58/79/60/572587960.db2.gz MGQOVFVSZCPKGP-LLVKDONJSA-N 0 3 197.253 1.772 10 0 ADAEHN Nc1ccncc1-c1cncc(F)c1 69841166 572588006 /nfs/dbraw/zinc/58/80/06/572588006.db2.gz ROHOQVWQCPGKGV-UHFFFAOYSA-N 0 3 189.193 1.865 10 0 ADAEHN Nc1ccncc1[C@@H](O)c1ccco1 69843190 572588024 /nfs/dbraw/zinc/58/80/24/572588024.db2.gz BZGNTKSIAJRNHH-SNVBAGLBSA-N 0 3 190.202 1.339 10 0 ADAEHN CCn1cc(-c2cnccc2N)cn1 69841324 572588296 /nfs/dbraw/zinc/58/82/96/572588296.db2.gz ATFQITQGAAXDJC-UHFFFAOYSA-N 0 3 188.234 1.547 10 0 ADAEHN CCCSC[C@H](O)CN(C)C 114813673 572588354 /nfs/dbraw/zinc/58/83/54/572588354.db2.gz RFHWGGGZRRRPCU-MRVPVSSYSA-N 0 3 177.313 1.052 10 0 ADAEHN CC(C)[C@](N)(CO)c1ccccc1F 714092717 572588516 /nfs/dbraw/zinc/58/85/16/572588516.db2.gz DKFBDNKHZRLABR-LLVKDONJSA-N 0 3 197.253 1.628 10 0 ADAEHN Nc1ccncc1[C@H](O)c1ccco1 69843192 572588558 /nfs/dbraw/zinc/58/85/58/572588558.db2.gz BZGNTKSIAJRNHH-JTQLQIEISA-N 0 3 190.202 1.339 10 0 ADAEHN CC(C)(N)c1csc(Cl)n1 114883230 572588849 /nfs/dbraw/zinc/58/88/49/572588849.db2.gz NWQQWUIXJYJMRG-UHFFFAOYSA-N 0 3 176.672 1.990 10 0 ADAEHN CC(C)[C@@](N)(CO)c1ccccc1F 714092718 572589330 /nfs/dbraw/zinc/58/93/30/572589330.db2.gz DKFBDNKHZRLABR-NSHDSACASA-N 0 3 197.253 1.628 10 0 ADAEHN C[C@H]1CCC[C@@H](C)N1[C@H](C)C(N)=O 251556799 572589406 /nfs/dbraw/zinc/58/94/06/572589406.db2.gz ADTQWOUVADENHI-HRDYMLBCSA-N 0 3 184.283 1.123 10 0 ADAEHN CCC[C@@](N)(CO)c1cccc(O)c1 714093320 572590083 /nfs/dbraw/zinc/59/00/83/572590083.db2.gz PJACTWZYUDBUFU-LLVKDONJSA-N 0 3 195.262 1.339 10 0 ADAEHN CN(C)[C@@H](O)C1CCCCC1 114803339 572590189 /nfs/dbraw/zinc/59/01/89/572590189.db2.gz KZKGHHDDCQNVHH-VIFPVBQESA-N 0 3 157.257 1.447 10 0 ADAEHN CC[C@@H](C)[C@@H](N)c1cnccc1N 69845712 572590334 /nfs/dbraw/zinc/59/03/34/572590334.db2.gz DVSVFEIYLAJBMP-GMSGAONNSA-N 0 3 179.267 1.710 10 0 ADAEHN CCCSC[C@@H](O)CN(C)C 114813672 572590364 /nfs/dbraw/zinc/59/03/64/572590364.db2.gz RFHWGGGZRRRPCU-QMMMGPOBSA-N 0 3 177.313 1.052 10 0 ADAEHN CCC[C@H](C)C[C@@H](NC)c1cn[nH]n1 87600769 572590382 /nfs/dbraw/zinc/59/03/82/572590382.db2.gz PWKJEOVYYPYLRE-DTWKUNHWSA-N 0 3 196.298 1.892 10 0 ADAEHN CN(C)[C@H](O)C1CCCCC1 114803341 572590320 /nfs/dbraw/zinc/59/03/20/572590320.db2.gz KZKGHHDDCQNVHH-SECBINFHSA-N 0 3 157.257 1.447 10 0 ADAEHN CC[C@H](C)[C@H](N)c1cnccc1N 69845710 572590688 /nfs/dbraw/zinc/59/06/88/572590688.db2.gz DVSVFEIYLAJBMP-XVKPBYJWSA-N 0 3 179.267 1.710 10 0 ADAEHN CCN[C@H](C=C(C)C)c1c[nH]nn1 87600910 572590774 /nfs/dbraw/zinc/59/07/74/572590774.db2.gz PUMIDXVUBPYKIZ-MRVPVSSYSA-N 0 3 180.255 1.422 10 0 ADAEHN CCC[C@@H](O)c1cnccc1N 69844154 572590839 /nfs/dbraw/zinc/59/08/39/572590839.db2.gz RCUOZSPLIIKBQX-SECBINFHSA-N 0 3 166.224 1.497 10 0 ADAEHN CC(C)NCc1cccnc1N 69845816 572590980 /nfs/dbraw/zinc/59/09/80/572590980.db2.gz AVMPFWIRDKYVQF-UHFFFAOYSA-N 0 3 165.240 1.162 10 0 ADAEHN CCN[C@@H](C)c1cccnc1N 69845258 572591002 /nfs/dbraw/zinc/59/10/02/572591002.db2.gz DLKJRCMGCWDESJ-ZETCQYMHSA-N 0 3 165.240 1.334 10 0 ADAEHN Nc1ccncc1[C@@H](O)C1CCCC1 69844061 572591125 /nfs/dbraw/zinc/59/11/25/572591125.db2.gz UXPWAHBTOXMUJJ-NSHDSACASA-N 0 3 192.262 1.887 10 0 ADAEHN CC[C@@H](C)C[C@H]([NH3+])c1cnn[n-]1 87600184 572591143 /nfs/dbraw/zinc/59/11/43/572591143.db2.gz PIPJRAVDABSZFO-RQJHMYQMSA-N 0 3 168.244 1.241 10 0 ADAEHN CCN[C@@H](C)c1cnccc1N 69845262 572591192 /nfs/dbraw/zinc/59/11/92/572591192.db2.gz RZDFRWZMXCAZDM-ZETCQYMHSA-N 0 3 165.240 1.334 10 0 ADAEHN CCC[C@@H](C)C[C@@H]([NH3+])c1cnn[n-]1 87600291 572591283 /nfs/dbraw/zinc/59/12/83/572591283.db2.gz JCNTUNMTIWORMW-HTQZYQBOSA-N 0 3 182.271 1.631 10 0 ADAEHN CC(C)NCc1cnccc1N 69845818 572591333 /nfs/dbraw/zinc/59/13/33/572591333.db2.gz CYXIBOIHAYLGHW-UHFFFAOYSA-N 0 3 165.240 1.162 10 0 ADAEHN CCC[C@H](O)c1cnccc1N 69844152 572591346 /nfs/dbraw/zinc/59/13/46/572591346.db2.gz RCUOZSPLIIKBQX-VIFPVBQESA-N 0 3 166.224 1.497 10 0 ADAEHN CN[C@H](CC1CCC1)c1cn[nH]n1 87600673 572591799 /nfs/dbraw/zinc/59/17/99/572591799.db2.gz SCZJJQGQBRSNOZ-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN CC(C)CC[C@@H]([NH3+])c1cnn[n-]1 87599827 572591864 /nfs/dbraw/zinc/59/18/64/572591864.db2.gz SQDIJCMWYVBYLG-SSDOTTSWSA-N 0 3 168.244 1.241 10 0 ADAEHN CC(C)C[C@H](N)c1cnccc1N 69845033 572591874 /nfs/dbraw/zinc/59/18/74/572591874.db2.gz AEXFVCHOVFXLSE-JTQLQIEISA-N 0 3 179.267 1.710 10 0 ADAEHN CC(C)C[C@@H](N)c1cnccc1N 69845037 572591916 /nfs/dbraw/zinc/59/19/16/572591916.db2.gz AEXFVCHOVFXLSE-SNVBAGLBSA-N 0 3 179.267 1.710 10 0 ADAEHN CN[C@H](CCC(C)C)c1cn[nH]n1 87600575 572591943 /nfs/dbraw/zinc/59/19/43/572591943.db2.gz ZOIIIPKYCZXELX-MRVPVSSYSA-N 0 3 182.271 1.501 10 0 ADAEHN CCC(CC)[C@@H]([NH3+])c1cnn[n-]1 87600388 572592059 /nfs/dbraw/zinc/59/20/59/572592059.db2.gz WMPNBIHJBRJVRR-MRVPVSSYSA-N 0 3 168.244 1.241 10 0 ADAEHN CCCC[C@@H](NC)c1cn[nH]n1 87600699 572592159 /nfs/dbraw/zinc/59/21/59/572592159.db2.gz LWDJOKALSPHBMX-SSDOTTSWSA-N 0 3 168.244 1.255 10 0 ADAEHN [NH3+][C@@H](CCC(F)(F)F)c1cnn[n-]1 87600163 572592205 /nfs/dbraw/zinc/59/22/05/572592205.db2.gz XIZFBPFQTXWBOO-BYPYZUCNSA-N 0 3 194.160 1.147 10 0 ADAEHN CSC[C@@H](N)c1cnccc1N 69845643 572592213 /nfs/dbraw/zinc/59/22/13/572592213.db2.gz XLQMZHZEEYPQID-MRVPVSSYSA-N 0 3 183.280 1.027 10 0 ADAEHN CN[C@@H](CC1CCCC1)c1cn[nH]n1 87600596 572592364 /nfs/dbraw/zinc/59/23/64/572592364.db2.gz DXBSOPDPMPVGEW-VIFPVBQESA-N 0 3 194.282 1.646 10 0 ADAEHN CN[C@@H](CSC)c1cccnc1N 69845644 572592444 /nfs/dbraw/zinc/59/24/44/572592444.db2.gz TZNVCEXYFIUCME-QMMMGPOBSA-N 0 3 197.307 1.287 10 0 ADAEHN CCN[C@H](C)c1cccnc1N 69845261 572592474 /nfs/dbraw/zinc/59/24/74/572592474.db2.gz DLKJRCMGCWDESJ-SSDOTTSWSA-N 0 3 165.240 1.334 10 0 ADAEHN CCCCCC[C@@H]([NH3+])c1cnn[n-]1 87599926 572592487 /nfs/dbraw/zinc/59/24/87/572592487.db2.gz NTJVCOCPMCOKOK-MRVPVSSYSA-N 0 3 182.271 1.775 10 0 ADAEHN CC(C)COCCCNC1COC1 87596650 572592516 /nfs/dbraw/zinc/59/25/16/572592516.db2.gz UJXDWICWKXWKCI-UHFFFAOYSA-N 0 3 187.283 1.038 10 0 ADAEHN CCN[C@@H](C=C(C)C)c1c[nH]nn1 87600909 572592543 /nfs/dbraw/zinc/59/25/43/572592543.db2.gz PUMIDXVUBPYKIZ-QMMMGPOBSA-N 0 3 180.255 1.422 10 0 ADAEHN CCC1(NCc2ncc(C)n2C)CC1 713390026 572592673 /nfs/dbraw/zinc/59/26/73/572592673.db2.gz KZZXGGDDDWWZLY-UHFFFAOYSA-N 0 3 193.294 1.761 10 0 ADAEHN CSC[C@@H](O)c1cnccc1N 69844856 572592759 /nfs/dbraw/zinc/59/27/59/572592759.db2.gz NQLKPJPMPDTLDU-MRVPVSSYSA-N 0 3 184.264 1.060 10 0 ADAEHN CCN[C@H](C)c1cnccc1N 69845265 572592824 /nfs/dbraw/zinc/59/28/24/572592824.db2.gz RZDFRWZMXCAZDM-SSDOTTSWSA-N 0 3 165.240 1.334 10 0 ADAEHN CN[C@H](CCC1CC1)c1cn[nH]n1 87600641 572592947 /nfs/dbraw/zinc/59/29/47/572592947.db2.gz KUQHPHPUWQPBIH-MRVPVSSYSA-N 0 3 180.255 1.255 10 0 ADAEHN CSC[C@@H](N)c1cccnc1N 69845639 572592995 /nfs/dbraw/zinc/59/29/95/572592995.db2.gz SESIMEDOEUJGGC-SSDOTTSWSA-N 0 3 183.280 1.027 10 0 ADAEHN Nc1ccncc1[C@H](O)C1CCCC1 69844057 572593046 /nfs/dbraw/zinc/59/30/46/572593046.db2.gz UXPWAHBTOXMUJJ-LLVKDONJSA-N 0 3 192.262 1.887 10 0 ADAEHN CC[C@H](C)C[C@H](NC)c1cn[nH]n1 87600725 572593055 /nfs/dbraw/zinc/59/30/55/572593055.db2.gz XUIDLXSBUUDCAM-YUMQZZPRSA-N 0 3 182.271 1.501 10 0 ADAEHN COC(=O)/C=C/CN(C)C(C)C 114881050 572593144 /nfs/dbraw/zinc/59/31/44/572593144.db2.gz YUJGEBVAJJMVAG-AATRIKPKSA-N 0 3 171.240 1.056 10 0 ADAEHN CN[C@@H](CCC(C)(C)C)c1cn[nH]n1 87600706 572593151 /nfs/dbraw/zinc/59/31/51/572593151.db2.gz JXVXCRKYIGVGDV-QMMMGPOBSA-N 0 3 196.298 1.892 10 0 ADAEHN CCCCC[C@@H]([NH3+])c1cnn[n-]1 87600142 572593170 /nfs/dbraw/zinc/59/31/70/572593170.db2.gz KZEFCDVZCCAIPN-SSDOTTSWSA-N 0 3 168.244 1.385 10 0 ADAEHN CCC[C@@H](C)C[C@H](NC)c1cn[nH]n1 87600766 572593262 /nfs/dbraw/zinc/59/32/62/572593262.db2.gz PWKJEOVYYPYLRE-BDAKNGLRSA-N 0 3 196.298 1.892 10 0 ADAEHN CN[C@@H](CCC1CC1)c1cn[nH]n1 87600640 572593289 /nfs/dbraw/zinc/59/32/89/572593289.db2.gz KUQHPHPUWQPBIH-QMMMGPOBSA-N 0 3 180.255 1.255 10 0 ADAEHN CC(C)CSC[C@H](O)CN(C)C 308072777 572593382 /nfs/dbraw/zinc/59/33/82/572593382.db2.gz CCWYTHOEAJAMME-SECBINFHSA-N 0 3 191.340 1.298 10 0 ADAEHN CN[C@@H](CSC)c1cnccc1N 69845649 572593523 /nfs/dbraw/zinc/59/35/23/572593523.db2.gz SOZHJAVHPAOYHD-VIFPVBQESA-N 0 3 197.307 1.287 10 0 ADAEHN CN[C@H](CCC(C)(C)C)c1cn[nH]n1 87600707 572593699 /nfs/dbraw/zinc/59/36/99/572593699.db2.gz JXVXCRKYIGVGDV-MRVPVSSYSA-N 0 3 196.298 1.892 10 0 ADAEHN CN[C@H](CCO)c1cccc(F)c1C 238353232 572593777 /nfs/dbraw/zinc/59/37/77/572593777.db2.gz FBHOYAHDEFYMPC-LLVKDONJSA-N 0 3 197.253 1.777 10 0 ADAEHN CSC[C@H](N)c1cccnc1N 69845637 572593813 /nfs/dbraw/zinc/59/38/13/572593813.db2.gz 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70012972 572625202 /nfs/dbraw/zinc/62/52/02/572625202.db2.gz NTKPJVBGGACICA-LLVKDONJSA-N 0 3 192.262 1.354 10 0 ADAEHN COC(=O)C[C@H](N)c1ccsc1C 238363535 572625313 /nfs/dbraw/zinc/62/53/13/572625313.db2.gz YYCBFDFZSWUXPG-QMMMGPOBSA-N 0 3 199.275 1.619 10 0 ADAEHN CN[C@@H](CO)c1ccc(C)cc1OC 238366376 572625571 /nfs/dbraw/zinc/62/55/71/572625571.db2.gz BAWYSPYEHMHCPN-JTQLQIEISA-N 0 3 195.262 1.256 10 0 ADAEHN Cc1ccnc2ccnc(CN)c12 74309615 572625580 /nfs/dbraw/zinc/62/55/80/572625580.db2.gz ZYYFTCVEKPIYDD-UHFFFAOYSA-N 0 3 173.219 1.397 10 0 ADAEHN CCC[C@H](N)c1nc(N)cs1 74310378 572625708 /nfs/dbraw/zinc/62/57/08/572625708.db2.gz WYPFTPSKJWOXRD-YFKPBYRVSA-N 0 3 171.269 1.525 10 0 ADAEHN Cc1cncc2ccnc(CN)c12 74309609 572625831 /nfs/dbraw/zinc/62/58/31/572625831.db2.gz OUMBJOVQROHKLC-UHFFFAOYSA-N 0 3 173.219 1.397 10 0 ADAEHN C[C@@H]1CCC[C@@H]1NCc1cccnn1 235268291 572626327 /nfs/dbraw/zinc/62/63/27/572626327.db2.gz BOOYXYGUZBQOAN-KOLCDFICSA-N 0 3 191.278 1.755 10 0 ADAEHN Cc1cc(C=O)c(C)n1CCN(C)C 9392 572626367 /nfs/dbraw/zinc/62/63/67/572626367.db2.gz QZLRPSQMHOIBHR-UHFFFAOYSA-N 0 3 194.278 1.479 10 0 ADAEHN N[C@@]1(c2cccc(F)c2)CCCOC1 70012603 572626689 /nfs/dbraw/zinc/62/66/89/572626689.db2.gz LGCDPKVKYKFUDG-NSHDSACASA-N 0 3 195.237 1.790 10 0 ADAEHN COC[C@H](N)c1ccccc1N(C)C 238365531 572626703 /nfs/dbraw/zinc/62/67/03/572626703.db2.gz DANKSEATMVRBGN-JTQLQIEISA-N 0 3 194.278 1.399 10 0 ADAEHN COCN[C@H](C)c1ccccc1 115685035 572626721 /nfs/dbraw/zinc/62/67/21/572626721.db2.gz DMLOBKQWHYLCMQ-SECBINFHSA-N 0 3 165.236 1.941 10 0 ADAEHN C/C=C/CN1CCC(CO)CC1 47958908 572628282 /nfs/dbraw/zinc/62/82/82/572628282.db2.gz VVDMWBRUFAQLDM-NSCUHMNNSA-N 0 3 169.268 1.267 10 0 ADAEHN CN[C@@H](CO)c1ccc(C)c(OC)c1 238366228 572628179 /nfs/dbraw/zinc/62/81/79/572628179.db2.gz WRSXUDBXANTAJN-JTQLQIEISA-N 0 3 195.262 1.256 10 0 ADAEHN CCCC[C@@H](C)NC(=O)[C@@H](C)NC 54076923 572628204 /nfs/dbraw/zinc/62/82/04/572628204.db2.gz BZFDSCJMFUCTTE-RKDXNWHRSA-N 0 3 186.299 1.289 10 0 ADAEHN CCCCCCNC1COC1 70019850 572629111 /nfs/dbraw/zinc/62/91/11/572629111.db2.gz MYOGIKWBXQUVKP-UHFFFAOYSA-N 0 3 157.257 1.555 10 0 ADAEHN CN[C@@H](CO)c1cc(OC)ccc1C 238364712 572629505 /nfs/dbraw/zinc/62/95/05/572629505.db2.gz RHVFLXGAWRCPBU-NSHDSACASA-N 0 3 195.262 1.256 10 0 ADAEHN COCN[C@@H](C)c1ccccc1 115685034 572629130 /nfs/dbraw/zinc/62/91/30/572629130.db2.gz DMLOBKQWHYLCMQ-VIFPVBQESA-N 0 3 165.236 1.941 10 0 ADAEHN CC[C@@H](C(C)C)N1CCC[C@H](N)C1=O 70061584 572630273 /nfs/dbraw/zinc/63/02/73/572630273.db2.gz WBQYKVKBSYACHO-UWVGGRQHSA-N 0 3 198.310 1.371 10 0 ADAEHN COC(=O)C[C@H](N)c1cocc1C 238364542 572629293 /nfs/dbraw/zinc/62/92/93/572629293.db2.gz QXNSGXZLOXDMFJ-QMMMGPOBSA-N 0 3 183.207 1.151 10 0 ADAEHN CC[C@@H](C(C)C)N1CCC[C@@H](N)C1=O 70061586 572629702 /nfs/dbraw/zinc/62/97/02/572629702.db2.gz WBQYKVKBSYACHO-ZJUUUORDSA-N 0 3 198.310 1.371 10 0 ADAEHN C[C@H](O)CN[C@@H]1COc2ccccc21 70068877 572629732 /nfs/dbraw/zinc/62/97/32/572629732.db2.gz NZCJXMPVLUHDHI-WCBMZHEXSA-N 0 3 193.246 1.091 10 0 ADAEHN COC[C@H](N)c1cccc(OC)c1C 238365247 572629736 /nfs/dbraw/zinc/62/97/36/572629736.db2.gz VEURVTGMNXLNRQ-JTQLQIEISA-N 0 3 195.262 1.650 10 0 ADAEHN CCc1cc2occ(CN)c2cn1 74308022 572631631 /nfs/dbraw/zinc/63/16/31/572631631.db2.gz AGUZJNMQAJZSLR-UHFFFAOYSA-N 0 3 176.219 1.849 10 0 ADAEHN COc1cc2[nH]ccc2cc1CN 74308102 572629771 /nfs/dbraw/zinc/62/97/71/572629771.db2.gz QOCUMXFBBNDMPY-UHFFFAOYSA-N 0 3 176.219 1.635 10 0 ADAEHN C[C@@H]1CCC[C@H]1N1CCC[C@H](N)C1=O 70062507 572629815 /nfs/dbraw/zinc/62/98/15/572629815.db2.gz HUVNLJWURKTEOH-KXUCPTDWSA-N 0 3 196.294 1.125 10 0 ADAEHN CC[C@@H](N)c1ncc2cccnn12 74307917 572629828 /nfs/dbraw/zinc/62/98/28/572629828.db2.gz NRWOIPYNHUYGLL-MRVPVSSYSA-N 0 3 176.223 1.139 10 0 ADAEHN CC(C)(N)c1nccn2cccc12 74308583 572629971 /nfs/dbraw/zinc/62/99/71/572629971.db2.gz QMEUYOCGTXSLMG-UHFFFAOYSA-N 0 3 175.235 1.528 10 0 ADAEHN Cn1cnc([C@H](N)CCC2CC2)c1 236101430 572630129 /nfs/dbraw/zinc/63/01/29/572630129.db2.gz KTCIUKAYMIUMOT-SECBINFHSA-N 0 3 179.267 1.610 10 0 ADAEHN NC/C(F)=C\COc1cccnc1 115773111 572632883 /nfs/dbraw/zinc/63/28/83/572632883.db2.gz SPSWXPWRKYKXPV-FPYGCLRLSA-N 0 3 182.198 1.273 10 0 ADAEHN CC[C@@H](N)c1cn2ncccc2n1 74307922 572630168 /nfs/dbraw/zinc/63/01/68/572630168.db2.gz HZCDPMIYCZOZBN-SSDOTTSWSA-N 0 3 176.223 1.139 10 0 ADAEHN Cc1cc(C2(N)CC=CC2)ncn1 74308608 572630254 /nfs/dbraw/zinc/63/02/54/572630254.db2.gz HDCQSGJBBXIHLQ-UHFFFAOYSA-N 0 3 175.235 1.289 10 0 ADAEHN COC(=O)C[C@H](N)c1cscc1C 238364877 572630232 /nfs/dbraw/zinc/63/02/32/572630232.db2.gz DPZVOIIFNPFTBK-QMMMGPOBSA-N 0 3 199.275 1.619 10 0 ADAEHN Cc1ncc2c(C)c(CN)[nH]c2n1 74307904 572630326 /nfs/dbraw/zinc/63/03/26/572630326.db2.gz VXJYICIKOFTMPV-UHFFFAOYSA-N 0 3 176.223 1.033 10 0 ADAEHN Cn1ccc(-c2cocc2CN)c1 74308030 572630442 /nfs/dbraw/zinc/63/04/42/572630442.db2.gz IWWRKNKQTZKUNF-UHFFFAOYSA-N 0 3 176.219 1.744 10 0 ADAEHN CCc1ccn2c(CN)cnc2c1 74308507 572630513 /nfs/dbraw/zinc/63/05/13/572630513.db2.gz YEUAUIQMWWUPDB-UHFFFAOYSA-N 0 3 175.235 1.355 10 0 ADAEHN Cc1c(CN)[nH]c2cc(N)ccc12 74308506 572630740 /nfs/dbraw/zinc/63/07/40/572630740.db2.gz ZXFIXWULWMBULO-UHFFFAOYSA-N 0 3 175.235 1.517 10 0 ADAEHN C[C@@H]1CCC[C@@H]1N1CCC[C@H](N)C1=O 70062505 572630741 /nfs/dbraw/zinc/63/07/41/572630741.db2.gz HUVNLJWURKTEOH-UTLUCORTSA-N 0 3 196.294 1.125 10 0 ADAEHN C=Cc1ccc([C@H](CO)NC)cc1 238366445 572630759 /nfs/dbraw/zinc/63/07/59/572630759.db2.gz NAUBXLDGHGXFGU-NSHDSACASA-N 0 3 177.247 1.582 10 0 ADAEHN CC[C@H](N)c1ccc2cccnn12 74308521 572630764 /nfs/dbraw/zinc/63/07/64/572630764.db2.gz VSISZZJHXQOWLH-VIFPVBQESA-N 0 3 175.235 1.744 10 0 ADAEHN CN1CCCc2cncc(C=O)c21 74308120 572630890 /nfs/dbraw/zinc/63/08/90/572630890.db2.gz IELMJMSGOAVRFC-UHFFFAOYSA-N 0 3 176.219 1.277 10 0 ADAEHN CC[C@H](N)c1ccnc2ccnn12 74307907 572631076 /nfs/dbraw/zinc/63/10/76/572631076.db2.gz PIJDLTREHXVWSI-ZETCQYMHSA-N 0 3 176.223 1.139 10 0 ADAEHN CC[C@H](C(C)C)N1CCC[C@H](N)C1=O 70061585 572631130 /nfs/dbraw/zinc/63/11/30/572631130.db2.gz WBQYKVKBSYACHO-VHSXEESVSA-N 0 3 198.310 1.371 10 0 ADAEHN Cc1cnccc1-n1cc(C)c(N)n1 70047786 572631224 /nfs/dbraw/zinc/63/12/24/572631224.db2.gz ZXNMCAHYEVLNGV-UHFFFAOYSA-N 0 3 188.234 1.466 10 0 ADAEHN NCc1nccc2cccc(F)c12 74308141 572631230 /nfs/dbraw/zinc/63/12/30/572631230.db2.gz TUTIZEBVWISPJU-UHFFFAOYSA-N 0 3 176.194 1.833 10 0 ADAEHN C[C@@H](O)CN[C@H]1COc2ccccc21 70068880 572631537 /nfs/dbraw/zinc/63/15/37/572631537.db2.gz NZCJXMPVLUHDHI-SCZZXKLOSA-N 0 3 193.246 1.091 10 0 ADAEHN C[C@H](CC1CC1)N1CCC[C@H](N)C1=O 70061489 572631600 /nfs/dbraw/zinc/63/16/00/572631600.db2.gz QUZPPWCXAKAVSS-SCZZXKLOSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@@H](CC1CC1)N1CCC[C@@H](N)C1=O 70061490 572631613 /nfs/dbraw/zinc/63/16/13/572631613.db2.gz QUZPPWCXAKAVSS-WCBMZHEXSA-N 0 3 196.294 1.125 10 0 ADAEHN CC[C@H](N)c1ncc2cccnn12 74307915 572632906 /nfs/dbraw/zinc/63/29/06/572632906.db2.gz NRWOIPYNHUYGLL-QMMMGPOBSA-N 0 3 176.223 1.139 10 0 ADAEHN C=Cc1ccccc1[C@H](CO)NC 238372094 572631827 /nfs/dbraw/zinc/63/18/27/572631827.db2.gz WXJZLPFWGPZAIT-NSHDSACASA-N 0 3 177.247 1.582 10 0 ADAEHN Cc1oc(C)c2c(CN)nccc12 74308107 572631976 /nfs/dbraw/zinc/63/19/76/572631976.db2.gz CVNLGJOSBYEGAG-UHFFFAOYSA-N 0 3 176.219 1.903 10 0 ADAEHN CN[C@H](c1cn(C)cn1)C(C)(C)C 234515475 572632112 /nfs/dbraw/zinc/63/21/12/572632112.db2.gz KZLAMRRPAIRFPA-SECBINFHSA-N 0 3 181.283 1.727 10 0 ADAEHN C[C@@H](N)c1nccc2c1ccn2C 74308537 572632192 /nfs/dbraw/zinc/63/21/92/572632192.db2.gz NKNALEIDQYLNJO-SSDOTTSWSA-N 0 3 175.235 1.593 10 0 ADAEHN Cc1sc([C@@H](O)CN)cc1F 74308677 572632218 /nfs/dbraw/zinc/63/22/18/572632218.db2.gz YDEBUJPBBYVVHI-LURJTMIESA-N 0 3 175.228 1.188 10 0 ADAEHN C[C@@H](N)c1cc2ncccc2n1C 74308540 572632925 /nfs/dbraw/zinc/63/29/25/572632925.db2.gz OZZURTAPPZBYGU-SSDOTTSWSA-N 0 3 175.235 1.593 10 0 ADAEHN CC[C@@H](N)c1ccc2cccnn12 74308523 572632266 /nfs/dbraw/zinc/63/22/66/572632266.db2.gz VSISZZJHXQOWLH-SECBINFHSA-N 0 3 175.235 1.744 10 0 ADAEHN C[C@@H](O)CN[C@@H]1COc2ccccc21 70068878 572632330 /nfs/dbraw/zinc/63/23/30/572632330.db2.gz NZCJXMPVLUHDHI-PSASIEDQSA-N 0 3 193.246 1.091 10 0 ADAEHN C[C@@H](N)c1cc(-c2cc[nH]c2)n[nH]1 74307977 572632331 /nfs/dbraw/zinc/63/23/31/572632331.db2.gz UOSNMFLBBSWBSC-ZCFIWIBFSA-N 0 3 176.223 1.425 10 0 ADAEHN NC/C(F)=C/COc1cccnc1 115773119 572632576 /nfs/dbraw/zinc/63/25/76/572632576.db2.gz SPSWXPWRKYKXPV-BAQGIRSFSA-N 0 3 182.198 1.273 10 0 ADAEHN COc1cc2cc[nH]c2cc1CN 74308100 572632581 /nfs/dbraw/zinc/63/25/81/572632581.db2.gz TZDAMCDSIOVZDJ-UHFFFAOYSA-N 0 3 176.219 1.635 10 0 ADAEHN C[C@H](N)c1cc2ncccc2n1C 74308538 572632602 /nfs/dbraw/zinc/63/26/02/572632602.db2.gz OZZURTAPPZBYGU-ZETCQYMHSA-N 0 3 175.235 1.593 10 0 ADAEHN COc1cccc(CN(C)C)c1CO 238369890 572632627 /nfs/dbraw/zinc/63/26/27/572632627.db2.gz KHAHPJAEKXAGQK-UHFFFAOYSA-N 0 3 195.262 1.249 10 0 ADAEHN C[C@H](CC1CC1)N1CCC[C@@H](N)C1=O 70061491 572632630 /nfs/dbraw/zinc/63/26/30/572632630.db2.gz QUZPPWCXAKAVSS-PSASIEDQSA-N 0 3 196.294 1.125 10 0 ADAEHN CC[C@H](C(C)C)N1CCC[C@@H](N)C1=O 70061587 572632659 /nfs/dbraw/zinc/63/26/59/572632659.db2.gz WBQYKVKBSYACHO-NXEZZACHSA-N 0 3 198.310 1.371 10 0 ADAEHN CC[C@H](N)c1cn2ncccc2n1 74307921 572632669 /nfs/dbraw/zinc/63/26/69/572632669.db2.gz HZCDPMIYCZOZBN-ZETCQYMHSA-N 0 3 176.223 1.139 10 0 ADAEHN C[C@H](N)c1nccc2c1ccn2C 74308535 572632776 /nfs/dbraw/zinc/63/27/76/572632776.db2.gz NKNALEIDQYLNJO-ZETCQYMHSA-N 0 3 175.235 1.593 10 0 ADAEHN Cc1nc(C)c(-c2cc(N)c[nH]2)[nH]1 74307996 572632812 /nfs/dbraw/zinc/63/28/12/572632812.db2.gz ROPFEYSFRPCNED-UHFFFAOYSA-N 0 3 176.223 1.604 10 0 ADAEHN C[C@@H](CC1CC1)N1CCC[C@H](N)C1=O 70061488 572633164 /nfs/dbraw/zinc/63/31/64/572633164.db2.gz QUZPPWCXAKAVSS-WPRPVWTQSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@H](O)CN[C@H]1COc2ccccc21 70068879 572633203 /nfs/dbraw/zinc/63/32/03/572633203.db2.gz NZCJXMPVLUHDHI-WPRPVWTQSA-N 0 3 193.246 1.091 10 0 ADAEHN NCc1cocc1-c1ccccn1 74309257 572633812 /nfs/dbraw/zinc/63/38/12/572633812.db2.gz 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/nfs/dbraw/zinc/72/86/11/572728611.db2.gz KMWGMUTUNQZNSM-XRVBUDJMSA-N 0 3 192.266 1.337 10 0 ADAEHN COCc1oc2c(c1[C@@H](C)N)CCC2 77089487 572728659 /nfs/dbraw/zinc/72/86/59/572728659.db2.gz NRWGODNODYEGNW-SSDOTTSWSA-N 0 3 195.262 1.934 10 0 ADAEHN CCCN(CC(OC)OC)C1CC1 85351014 572728675 /nfs/dbraw/zinc/72/86/75/572728675.db2.gz AXCJRWJABSRHSS-UHFFFAOYSA-N 0 3 187.283 1.480 10 0 ADAEHN CCc1oc2c(c1CN)CCC2 77089619 572728826 /nfs/dbraw/zinc/72/88/26/572728826.db2.gz KONRMBYNWNWWHK-UHFFFAOYSA-N 0 3 165.236 1.789 10 0 ADAEHN Cc1nc(CNC2CCC2)c[nH]1 54822605 572728993 /nfs/dbraw/zinc/72/89/93/572728993.db2.gz QCOCWXXIJIZWOH-UHFFFAOYSA-N 0 3 165.240 1.360 10 0 ADAEHN Cc1ncc(CNC2CCC2)[nH]1 54822605 572728996 /nfs/dbraw/zinc/72/89/96/572728996.db2.gz QCOCWXXIJIZWOH-UHFFFAOYSA-N 0 3 165.240 1.360 10 0 ADAEHN COCc1oc2c(c1CN)CCCC2 77090121 572728997 /nfs/dbraw/zinc/72/89/97/572728997.db2.gz MOCZZKPHNWDNJS-UHFFFAOYSA-N 0 3 195.262 1.764 10 0 ADAEHN COCc1oc2c(c1CN)CCC2 77089424 572729031 /nfs/dbraw/zinc/72/90/31/572729031.db2.gz JTCIERCUHPHAPP-UHFFFAOYSA-N 0 3 181.235 1.373 10 0 ADAEHN CCOC[C@H](C)NCc1[nH]cnc1C 54797360 572729145 /nfs/dbraw/zinc/72/91/45/572729145.db2.gz UKXVYPYIYGSZBT-QMMMGPOBSA-N 0 3 197.282 1.233 10 0 ADAEHN CNCc1c(COC)oc(C)c1C 77089302 572729534 /nfs/dbraw/zinc/72/95/34/572729534.db2.gz BZEDSPYGCIGINX-UHFFFAOYSA-N 0 3 183.251 1.762 10 0 ADAEHN C[C@H](Cc1ccccc1)N(C)CO 238462863 572730548 /nfs/dbraw/zinc/73/05/48/572730548.db2.gz RWJYMFYQEKUQAQ-SNVBAGLBSA-N 0 3 179.263 1.499 10 0 ADAEHN CC(C)N(C)c1ncc(CN)s1 54864363 572729932 /nfs/dbraw/zinc/72/99/32/572729932.db2.gz VCHHWJCWPVOIAC-UHFFFAOYSA-N 0 3 185.296 1.446 10 0 ADAEHN CCCNCc1nnc2sccn12 77092817 572730111 /nfs/dbraw/zinc/73/01/11/572730111.db2.gz SGNATKWLHUWBEI-UHFFFAOYSA-N 0 3 196.279 1.290 10 0 ADAEHN CCOP(=O)(CC=NC)OCC 307887525 572730481 /nfs/dbraw/zinc/73/04/81/572730481.db2.gz CYGSVWBIJAKPSN-SREVYHEPSA-N 0 3 193.183 1.943 10 0 ADAEHN CCCCCCn1nccc1CN 70708260 572730559 /nfs/dbraw/zinc/73/05/59/572730559.db2.gz XYRQZDUVMBHMCJ-UHFFFAOYSA-N 0 3 181.283 1.922 10 0 ADAEHN CCCCCN(C)CC(OC)OC 85351024 572730608 /nfs/dbraw/zinc/73/06/08/572730608.db2.gz YPKZIPBIOOFVKN-UHFFFAOYSA-N 0 3 189.299 1.727 10 0 ADAEHN C[C@H](Cc1ccccc1)N(C)CN 238462848 572730624 /nfs/dbraw/zinc/73/06/24/572730624.db2.gz ITQYJNGNCMLYCW-SNVBAGLBSA-N 0 3 178.279 1.466 10 0 ADAEHN C[C@@H](Cn1ccnc1)NC/C=C\Cl 308109808 572733166 /nfs/dbraw/zinc/73/31/66/572733166.db2.gz VBSMXSHQWJTXSF-XADBCAIWSA-N 0 3 199.685 1.614 10 0 ADAEHN CC[C@@H](C)N(C)c1ncc(CN)s1 54895184 572731479 /nfs/dbraw/zinc/73/14/79/572731479.db2.gz JWKZDIIYEFGZOF-SSDOTTSWSA-N 0 3 199.323 1.837 10 0 ADAEHN CN1CCS[C@H]2CCC(=O)C[C@H]21 250391184 572731560 /nfs/dbraw/zinc/73/15/60/572731560.db2.gz PJAHNMWQDYSMTR-BDAKNGLRSA-N 0 3 185.292 1.155 10 0 ADAEHN CNc1cccc(OCCN(C)C)n1 87842631 572731693 /nfs/dbraw/zinc/73/16/93/572731693.db2.gz HFBJDUXMUYVWAB-UHFFFAOYSA-N 0 3 195.266 1.064 10 0 ADAEHN C[C@H](N)c1cnc(N(C)C2CC2)s1 54895022 572731707 /nfs/dbraw/zinc/73/17/07/572731707.db2.gz WOUDTBUDCLQGAG-LURJTMIESA-N 0 3 197.307 1.761 10 0 ADAEHN C[C@H](Cn1ccnc1)NC/C=C\Cl 308109807 572733020 /nfs/dbraw/zinc/73/30/20/572733020.db2.gz VBSMXSHQWJTXSF-PKRMOACSSA-N 0 3 199.685 1.614 10 0 ADAEHN CN1CCS[C@@H]2CCC(=O)C[C@H]21 250391186 572732307 /nfs/dbraw/zinc/73/23/07/572732307.db2.gz PJAHNMWQDYSMTR-RKDXNWHRSA-N 0 3 185.292 1.155 10 0 ADAEHN Nc1ccncc1C[C@H]1CCC(=O)C1 70738175 572732408 /nfs/dbraw/zinc/73/24/08/572732408.db2.gz WUVQFKLKWSWZDY-MRVPVSSYSA-N 0 3 190.246 1.576 10 0 ADAEHN COC(CN(CC1CC1)C1CC1)OC 85351595 572732650 /nfs/dbraw/zinc/73/26/50/572732650.db2.gz UQUGWQIMFJLSHY-UHFFFAOYSA-N 0 3 199.294 1.480 10 0 ADAEHN C[S@](=O)CCCNC/C=C\Cl 307888802 572733344 /nfs/dbraw/zinc/73/33/44/572733344.db2.gz AWECSXUHFLITAD-MORRKMRCSA-N 0 3 195.715 1.097 10 0 ADAEHN COC(CN(C)C[C@@H]1C[C@H]1C)OC 85351568 572733584 /nfs/dbraw/zinc/73/35/84/572733584.db2.gz ZQCOZZOVVCUXIN-BDAKNGLRSA-N 0 3 187.283 1.193 10 0 ADAEHN CC(C)[C@@H](O)CNC/C=C\Cl 307893828 572733599 /nfs/dbraw/zinc/73/35/99/572733599.db2.gz IFFFANLWJWWKGW-VEMNSZJBSA-N 0 3 177.675 1.345 10 0 ADAEHN CCCCOC[C@H]1CCC2(CNC2)O1 686236527 572733867 /nfs/dbraw/zinc/73/38/67/572733867.db2.gz KOADEXGBRQSJIF-SNVBAGLBSA-N 0 3 199.294 1.324 10 0 ADAEHN CCCCCCOC1CNC1 54931698 572734087 /nfs/dbraw/zinc/73/40/87/572734087.db2.gz SMVHZRSPEVVFBV-UHFFFAOYSA-N 0 3 157.257 1.555 10 0 ADAEHN NNc1cc2c(nn1)-c1ccccc1C2 54931328 572734246 /nfs/dbraw/zinc/73/42/46/572734246.db2.gz KVIAEJYRXJYYIM-UHFFFAOYSA-N 0 3 198.229 1.333 10 0 ADAEHN COC(CN(C)CC1CCC1)OC 85351458 572734255 /nfs/dbraw/zinc/73/42/55/572734255.db2.gz SQZAOIXGTOHBRZ-UHFFFAOYSA-N 0 3 187.283 1.337 10 0 ADAEHN CCCCOC[C@@H]1CCC2(CNC2)O1 686236522 572734557 /nfs/dbraw/zinc/73/45/57/572734557.db2.gz KOADEXGBRQSJIF-JTQLQIEISA-N 0 3 199.294 1.324 10 0 ADAEHN CN(C)CCC(=O)CCCCF 308108091 572735250 /nfs/dbraw/zinc/73/52/50/572735250.db2.gz ISIROBLXEVJWPF-UHFFFAOYSA-N 0 3 175.247 1.647 10 0 ADAEHN COC(CN(C)C[C@H]1C[C@@H]1C)OC 85351567 572735634 /nfs/dbraw/zinc/73/56/34/572735634.db2.gz ZQCOZZOVVCUXIN-DTWKUNHWSA-N 0 3 187.283 1.193 10 0 ADAEHN CC(=O)CCc1cnccc1N 70738796 572737590 /nfs/dbraw/zinc/73/75/90/572737590.db2.gz FDVKPRPMIHRVGG-UHFFFAOYSA-N 0 3 164.208 1.185 10 0 ADAEHN C/C=C\CCn1cncc1[C@H](C)N 308107128 572736736 /nfs/dbraw/zinc/73/67/36/572736736.db2.gz OZHBHXQVKXCLFI-TYRPZCRBSA-N 0 3 179.267 1.869 10 0 ADAEHN C/C=C\CCn1cncc1[C@@H](C)N 308107131 572736772 /nfs/dbraw/zinc/73/67/72/572736772.db2.gz OZHBHXQVKXCLFI-ZBJFTSOASA-N 0 3 179.267 1.869 10 0 ADAEHN CCCCSC[C@@H](O)CN(C)C 308107104 572736889 /nfs/dbraw/zinc/73/68/89/572736889.db2.gz ILMIJJOFJNYANF-VIFPVBQESA-N 0 3 191.340 1.442 10 0 ADAEHN CC[C@@](C)(O)CNC/C=C\Cl 307890167 572737004 /nfs/dbraw/zinc/73/70/04/572737004.db2.gz CVJWFZZCSIGIMP-PULIVWKDSA-N 0 3 177.675 1.490 10 0 ADAEHN CC[C@](C)(O)CNC/C=C\Cl 307890166 572737592 /nfs/dbraw/zinc/73/75/92/572737592.db2.gz CVJWFZZCSIGIMP-LGYSABEFSA-N 0 3 177.675 1.490 10 0 ADAEHN CCc1nc(N)cc(N(CC)CC)n1 87906143 572737569 /nfs/dbraw/zinc/73/75/69/572737569.db2.gz VXZQFERTEUVNHA-UHFFFAOYSA-N 0 3 194.282 1.467 10 0 ADAEHN C=C/C=C/CCNC(=O)[C@@H](N)CCC 713475582 572737668 /nfs/dbraw/zinc/73/76/68/572737668.db2.gz RFQLRCKENCGECT-PORFMDCZSA-N 0 3 196.294 1.362 10 0 ADAEHN CCCc1nc(N)cc(N(C)CC)n1 87907757 572737683 /nfs/dbraw/zinc/73/76/83/572737683.db2.gz CWERLHLYWFLZSX-UHFFFAOYSA-N 0 3 194.282 1.467 10 0 ADAEHN CO[C@H]1CC[C@@H](n2cncc2CN)C1 234811239 572737790 /nfs/dbraw/zinc/73/77/90/572737790.db2.gz SEROOSNRKPZOGJ-SCZZXKLOSA-N 0 3 195.266 1.082 10 0 ADAEHN CCCCSC[C@H](O)CN(C)C 308107099 572737793 /nfs/dbraw/zinc/73/77/93/572737793.db2.gz ILMIJJOFJNYANF-SECBINFHSA-N 0 3 191.340 1.442 10 0 ADAEHN CCCN(C)c1cc(N)nc(CC)n1 87906263 572737835 /nfs/dbraw/zinc/73/78/35/572737835.db2.gz GYDTVAVBVARQCO-UHFFFAOYSA-N 0 3 194.282 1.467 10 0 ADAEHN CCCCNc1cc(N)nc(CC)n1 87906223 572737927 /nfs/dbraw/zinc/73/79/27/572737927.db2.gz PDIGYKIWTNVBBC-UHFFFAOYSA-N 0 3 194.282 1.833 10 0 ADAEHN CCN(C)CCC(=O)C(C)C 307890504 572737954 /nfs/dbraw/zinc/73/79/54/572737954.db2.gz YUHUXFPJZRQNKI-UHFFFAOYSA-N 0 3 157.257 1.553 10 0 ADAEHN Cc1cc(N)c2c(c1)C(=O)C[C@@H]2N 713742654 572737973 /nfs/dbraw/zinc/73/79/73/572737973.db2.gz CHORJZVTFRFEBB-QMMMGPOBSA-N 0 3 176.219 1.163 10 0 ADAEHN Cc1cc(N)c2c(c1)C(=O)C[C@H]2N 713742646 572738171 /nfs/dbraw/zinc/73/81/71/572738171.db2.gz CHORJZVTFRFEBB-MRVPVSSYSA-N 0 3 176.219 1.163 10 0 ADAEHN C=C/C=C\CCNC(=O)[C@H](N)CCC 713475584 572738509 /nfs/dbraw/zinc/73/85/09/572738509.db2.gz RFQLRCKENCGECT-WWQCOOJYSA-N 0 3 196.294 1.362 10 0 ADAEHN CCCNc1cc(N)nc(CCC)n1 87907713 572738727 /nfs/dbraw/zinc/73/87/27/572738727.db2.gz GXWWCBFRQQWOSQ-UHFFFAOYSA-N 0 3 194.282 1.833 10 0 ADAEHN CCCCCOc1cc(NN)ncn1 87880206 572738749 /nfs/dbraw/zinc/73/87/49/572738749.db2.gz JKZSMCSXHGGSFM-UHFFFAOYSA-N 0 3 196.254 1.331 10 0 ADAEHN CCCCOc1ncnc(NN)c1C 87880144 572738939 /nfs/dbraw/zinc/73/89/39/572738939.db2.gz ASYOREUUFQAMGC-UHFFFAOYSA-N 0 3 196.254 1.250 10 0 ADAEHN CC(C)CCOc1cc(NN)ncn1 87877904 572739019 /nfs/dbraw/zinc/73/90/19/572739019.db2.gz DQDSGNMNVLLXDQ-UHFFFAOYSA-N 0 3 196.254 1.187 10 0 ADAEHN CC(C)CCOc1cc[nH]c(=NN)n1 87877906 572739180 /nfs/dbraw/zinc/73/91/80/572739180.db2.gz ILCKWCBCLYTMFK-UHFFFAOYSA-N 0 3 196.254 1.187 10 0 ADAEHN CC(C)CCOc1cccc(NN)n1 87877885 572739341 /nfs/dbraw/zinc/73/93/41/572739341.db2.gz WOUMYNOAFNRSLS-UHFFFAOYSA-N 0 3 195.266 1.792 10 0 ADAEHN CCCCCOc1cccc(NN)n1 87880168 572739447 /nfs/dbraw/zinc/73/94/47/572739447.db2.gz UBVNAEAYCWXMAY-UHFFFAOYSA-N 0 3 195.266 1.936 10 0 ADAEHN CCCCOc1cccc(NN)n1 87880060 572739602 /nfs/dbraw/zinc/73/96/02/572739602.db2.gz UYHQCWFLOPTHOQ-UHFFFAOYSA-N 0 3 181.239 1.546 10 0 ADAEHN CCO[C@@H](C)CNC/C=C\Cl 307902700 572747761 /nfs/dbraw/zinc/74/77/61/572747761.db2.gz WSQRSDPREWWPQH-LGYSABEFSA-N 0 3 177.675 1.754 10 0 ADAEHN CCCOc1ncnc(NN)c1CC 87879952 572739899 /nfs/dbraw/zinc/73/98/99/572739899.db2.gz RMLMCAWBSBUDMX-UHFFFAOYSA-N 0 3 196.254 1.113 10 0 ADAEHN CC(C)COC[C@H]1CCC2(CNC2)O1 686238298 572740127 /nfs/dbraw/zinc/74/01/27/572740127.db2.gz YVQPYSNUAUACOS-SNVBAGLBSA-N 0 3 199.294 1.180 10 0 ADAEHN CCCCCOc1cc[nH]c(=NN)n1 87880208 572740454 /nfs/dbraw/zinc/74/04/54/572740454.db2.gz MFDRVGFHJRGYCC-UHFFFAOYSA-N 0 3 196.254 1.331 10 0 ADAEHN CC[C@](N)(COC)c1cnccc1C 85440702 572742396 /nfs/dbraw/zinc/74/23/96/572742396.db2.gz PMAHJYHLLVUZBC-NSHDSACASA-N 0 3 194.278 1.600 10 0 ADAEHN CCCCSc1ccnc(=NN)[nH]1 87891290 572740648 /nfs/dbraw/zinc/74/06/48/572740648.db2.gz SGNLTQMKNSDZJF-UHFFFAOYSA-N 0 3 198.295 1.654 10 0 ADAEHN CCCc1c(NN)ncnc1OCC 87877773 572740866 /nfs/dbraw/zinc/74/08/66/572740866.db2.gz OJEPMJXEFWAAPQ-UHFFFAOYSA-N 0 3 196.254 1.113 10 0 ADAEHN CC(C)COC[C@@H]1CCC2(CNC2)O1 686238297 572741139 /nfs/dbraw/zinc/74/11/39/572741139.db2.gz YVQPYSNUAUACOS-JTQLQIEISA-N 0 3 199.294 1.180 10 0 ADAEHN CCCCOc1nc(NN)ncc1C 87880077 572741210 /nfs/dbraw/zinc/74/12/10/572741210.db2.gz LLVYOFMPXOPYLR-UHFFFAOYSA-N 0 3 196.254 1.250 10 0 ADAEHN 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0 3 197.307 1.415 10 0 ADAEHN C/C=C\CN(C)C[C@H](C)OC 307914236 572762914 /nfs/dbraw/zinc/76/29/14/572762914.db2.gz APMFCUMHNYYKKG-UDIARPCQSA-N 0 3 157.257 1.529 10 0 ADAEHN C[C@H]1C[C@H]1NCc1csc(CN)n1 85546035 572762927 /nfs/dbraw/zinc/76/29/27/572762927.db2.gz HFXXEFJXQPFWBZ-POYBYMJQSA-N 0 3 197.307 1.100 10 0 ADAEHN C/C=C/CN(C)C[C@H](C)OC 307914074 572763706 /nfs/dbraw/zinc/76/37/06/572763706.db2.gz APMFCUMHNYYKKG-CYNONHLPSA-N 0 3 157.257 1.529 10 0 ADAEHN COC(=O)CCCNCc1cc[nH]c1 85579278 572763185 /nfs/dbraw/zinc/76/31/85/572763185.db2.gz VAYSYVIGLNRKIR-UHFFFAOYSA-N 0 3 196.250 1.058 10 0 ADAEHN NCc1cncn1CCCCF 308121073 572763217 /nfs/dbraw/zinc/76/32/17/572763217.db2.gz PUIPMGVPFJYHQN-UHFFFAOYSA-N 0 3 171.219 1.092 10 0 ADAEHN C/C=C\CCNCc1cnns1 308121210 572763332 /nfs/dbraw/zinc/76/33/32/572763332.db2.gz QEIHSQAPQJBSDO-IHWYPQMZSA-N 0 3 183.280 1.594 10 0 ADAEHN CCN(C/C=C\Cl)C[C@H](C)O 307913227 572763497 /nfs/dbraw/zinc/76/34/97/572763497.db2.gz YZYNPONHZLYGOR-LGYSABEFSA-N 0 3 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85579648 572767130 /nfs/dbraw/zinc/76/71/30/572767130.db2.gz OJJVKQWEPPEGPG-SECBINFHSA-N 0 3 182.267 1.529 10 0 ADAEHN NCc1cccn1CCC(F)(F)F 85581289 572767767 /nfs/dbraw/zinc/76/77/67/572767767.db2.gz WDCCXLUUFJCOLS-UHFFFAOYSA-N 0 3 192.184 1.899 10 0 ADAEHN CCOC(=O)CCNCc1cc[nH]c1 85579705 572767638 /nfs/dbraw/zinc/76/76/38/572767638.db2.gz SDWORROREDLORZ-UHFFFAOYSA-N 0 3 196.250 1.058 10 0 ADAEHN CC[C@H]1NC[C@H](O)c2ccsc21 141503763 572767687 /nfs/dbraw/zinc/76/76/87/572767687.db2.gz HWJJKTDFSIOXPB-SFYZADRCSA-N 0 3 183.276 1.836 10 0 ADAEHN COC(OC)[C@@H](C)NCc1cc[nH]c1 85579972 572767695 /nfs/dbraw/zinc/76/76/95/572767695.db2.gz DXNCPCCZAKBSAN-MRVPVSSYSA-N 0 3 198.266 1.112 10 0 ADAEHN NCc1cccn1CCCCCO 85581297 572767728 /nfs/dbraw/zinc/76/77/28/572767728.db2.gz DCBLVBLUHWHRHQ-UHFFFAOYSA-N 0 3 182.267 1.109 10 0 ADAEHN CC[C@H](C)Cn1cccc1CN 85581869 572768175 /nfs/dbraw/zinc/76/81/75/572768175.db2.gz YXSSDKCQMMPQBK-VIFPVBQESA-N 0 3 166.268 1.993 10 0 ADAEHN CCc1cc2c(cc1O)COC[C@H]2N 713746861 572768740 /nfs/dbraw/zinc/76/87/40/572768740.db2.gz FWSGNCNLPKCIGC-SNVBAGLBSA-N 0 3 193.246 1.485 10 0 ADAEHN Cc1cnc([C@H](N)CC2CC2)cc1N 713746839 572768855 /nfs/dbraw/zinc/76/88/55/572768855.db2.gz FOYDAKGQLLXFEO-SNVBAGLBSA-N 0 3 191.278 1.772 10 0 ADAEHN CC[C@H](F)CN(C)[C@H](C)CO 307919021 572769177 /nfs/dbraw/zinc/76/91/77/572769177.db2.gz FVXSRYNTEYFKCB-SFYZADRCSA-N 0 3 163.236 1.047 10 0 ADAEHN Cc1cnc([C@@H](N)CC2CC2)cc1N 713746838 572769936 /nfs/dbraw/zinc/76/99/36/572769936.db2.gz FOYDAKGQLLXFEO-JTQLQIEISA-N 0 3 191.278 1.772 10 0 ADAEHN CCCNCc1cncc(OCC)n1 85694859 572770019 /nfs/dbraw/zinc/77/00/19/572770019.db2.gz PNPXJPONJJKLLH-UHFFFAOYSA-N 0 3 195.266 1.375 10 0 ADAEHN CC[C@@H](F)CN(C)[C@H](C)CO 307919020 572770294 /nfs/dbraw/zinc/77/02/94/572770294.db2.gz FVXSRYNTEYFKCB-HTQZYQBOSA-N 0 3 163.236 1.047 10 0 ADAEHN CCCN(CC)c1cncc(CN)n1 85693943 572771654 /nfs/dbraw/zinc/77/16/54/572771654.db2.gz VHEUMUKDDUKMHE-UHFFFAOYSA-N 0 3 194.282 1.172 10 0 ADAEHN 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ADAEHN CC1(OCOC2CCCC2)CNC1 308126060 572771577 /nfs/dbraw/zinc/77/15/77/572771577.db2.gz AXKFZLLMJJCCHJ-UHFFFAOYSA-N 0 3 185.267 1.282 10 0 ADAEHN COC[C@H](C)CN(C)C/C=C\Cl 307931410 572771722 /nfs/dbraw/zinc/77/17/22/572771722.db2.gz HIZDIIAVPJIWLD-XRVBUDJMSA-N 0 3 191.702 1.953 10 0 ADAEHN CC[C@H](C)Oc1cncc(CN)n1 85695112 572771857 /nfs/dbraw/zinc/77/18/57/572771857.db2.gz MKMKECHKUDMDFN-ZETCQYMHSA-N 0 3 181.239 1.113 10 0 ADAEHN CCn1ccc(CN[C@@H](C)COC)c1 85604953 572771814 /nfs/dbraw/zinc/77/18/14/572771814.db2.gz XQRODLONVUPVNM-JTQLQIEISA-N 0 3 196.294 1.633 10 0 ADAEHN CCCCOc1cncc(CN)n1 85695058 572771914 /nfs/dbraw/zinc/77/19/14/572771914.db2.gz NULCUJBPKLYNJN-UHFFFAOYSA-N 0 3 181.239 1.114 10 0 ADAEHN CCCCCOc1cncc(CN)n1 85695068 572772071 /nfs/dbraw/zinc/77/20/71/572772071.db2.gz YXGPDWKOBRDHTH-UHFFFAOYSA-N 0 3 195.266 1.504 10 0 ADAEHN CCCOc1cncc(CNCC)n1 85695046 572772080 /nfs/dbraw/zinc/77/20/80/572772080.db2.gz RZVCIXRCEYHZTJ-UHFFFAOYSA-N 0 3 195.266 1.375 10 0 ADAEHN CCCCOc1cncc(CNC)n1 85695055 572772165 /nfs/dbraw/zinc/77/21/65/572772165.db2.gz YZNYOWDKOKYQTF-UHFFFAOYSA-N 0 3 195.266 1.375 10 0 ADAEHN CC[C@H](C)Oc1cncc(CNC)n1 85695104 572772246 /nfs/dbraw/zinc/77/22/46/572772246.db2.gz KOEMDCJDWOCLKW-QMMMGPOBSA-N 0 3 195.266 1.373 10 0 ADAEHN CC[C@@H](C)Oc1cncc(CN)n1 85695110 572772489 /nfs/dbraw/zinc/77/24/89/572772489.db2.gz MKMKECHKUDMDFN-SSDOTTSWSA-N 0 3 181.239 1.113 10 0 ADAEHN CC[C@@H](C)Oc1cncc(CNC)n1 85695102 572772542 /nfs/dbraw/zinc/77/25/42/572772542.db2.gz KOEMDCJDWOCLKW-MRVPVSSYSA-N 0 3 195.266 1.373 10 0 ADAEHN CC(=O)C(C)(C)CN(CCO)C1CC1 85677640 572772563 /nfs/dbraw/zinc/77/25/63/572772563.db2.gz CBZGZBBUTZKUSD-UHFFFAOYSA-N 0 3 199.294 1.058 10 0 ADAEHN CNCc1cncc(OC(C)(C)C)n1 85694989 572772579 /nfs/dbraw/zinc/77/25/79/572772579.db2.gz IRVMEALPVJPPKP-UHFFFAOYSA-N 0 3 195.266 1.373 10 0 ADAEHN CO[C@H]1CC[C@@H](NCCF)C1 234832234 572772649 /nfs/dbraw/zinc/77/26/49/572772649.db2.gz HMSZBXAYXBNXSD-SFYZADRCSA-N 0 3 161.220 1.113 10 0 ADAEHN CCNCc1cncc(N(C)CC)n1 85693891 572772704 /nfs/dbraw/zinc/77/27/04/572772704.db2.gz AYLPCKGFKCGPPB-UHFFFAOYSA-N 0 3 194.282 1.042 10 0 ADAEHN CCNCc1cncc(OC(C)C)n1 85694947 572772851 /nfs/dbraw/zinc/77/28/51/572772851.db2.gz AIMMLFIXOXCKAE-UHFFFAOYSA-N 0 3 195.266 1.373 10 0 ADAEHN CCN(c1cncc(CN)n1)C(C)C 85693918 572772915 /nfs/dbraw/zinc/77/29/15/572772915.db2.gz ZLHOHFZJTRTBBP-UHFFFAOYSA-N 0 3 194.282 1.170 10 0 ADAEHN CCc1nnc([C@H]([NH3+])CC(F)F)[n-]1 308125146 572773184 /nfs/dbraw/zinc/77/31/84/572773184.db2.gz AJIIKEPDRINYIR-SCSAIBSYSA-N 0 3 190.197 1.022 10 0 ADAEHN N[C@H](CCCCF)c1csnn1 308126502 572773192 /nfs/dbraw/zinc/77/31/92/572773192.db2.gz VPULSGBQLIVSQH-ZCFIWIBFSA-N 0 3 189.259 1.678 10 0 ADAEHN COC[C@@H](C)CN(C)C/C=C/Cl 307931405 572773236 /nfs/dbraw/zinc/77/32/36/572773236.db2.gz HIZDIIAVPJIWLD-MOVJSRMASA-N 0 3 191.702 1.953 10 0 ADAEHN CC=CCCNCc1c[nH]cn1 307923783 572773392 /nfs/dbraw/zinc/77/33/92/572773392.db2.gz BAWBWABQXVHCKM-IHWYPQMZSA-N 0 3 165.240 1.466 10 0 ADAEHN CC[C@H](CO)NCc1cccn1CC 85608531 572773797 /nfs/dbraw/zinc/77/37/97/572773797.db2.gz KFMHIESZUYPENS-SNVBAGLBSA-N 0 3 196.294 1.369 10 0 ADAEHN CCC[C@@](F)(CN)C1=COCC1 308116923 572773847 /nfs/dbraw/zinc/77/38/47/572773847.db2.gz MZYMBUBPFKWSHL-SECBINFHSA-N 0 3 173.231 1.758 10 0 ADAEHN CCn1cccc1CN[C@@H](C)COC 85608265 572773918 /nfs/dbraw/zinc/77/39/18/572773918.db2.gz BXNKFMZAIARAGL-JTQLQIEISA-N 0 3 196.294 1.633 10 0 ADAEHN CCn1cccc1CNC1CC(O)C1 85610055 572774144 /nfs/dbraw/zinc/77/41/44/572774144.db2.gz UOMRLGKRPNSXRU-UHFFFAOYSA-N 0 3 194.278 1.121 10 0 ADAEHN C[C@H](NCc1cnns1)C1CC1 308118171 572776011 /nfs/dbraw/zinc/77/60/11/572776011.db2.gz NINXSSNRUGXMEO-LURJTMIESA-N 0 3 183.280 1.426 10 0 ADAEHN CCn1cccc1CNCCSC 85609700 572774328 /nfs/dbraw/zinc/77/43/28/572774328.db2.gz JLTYKTMUZGPPHI-UHFFFAOYSA-N 0 3 198.335 1.961 10 0 ADAEHN CCC[C@](F)(CN)C1=COCC1 308116924 572774776 /nfs/dbraw/zinc/77/47/76/572774776.db2.gz MZYMBUBPFKWSHL-VIFPVBQESA-N 0 3 173.231 1.758 10 0 ADAEHN CCCn1cccc1CNCCCO 85608513 572774868 /nfs/dbraw/zinc/77/48/68/572774868.db2.gz ZDMVCVQKDPHPAJ-UHFFFAOYSA-N 0 3 196.294 1.370 10 0 ADAEHN CCn1cccc1CN[C@H](C)COC 85608269 572775344 /nfs/dbraw/zinc/77/53/44/572775344.db2.gz BXNKFMZAIARAGL-SNVBAGLBSA-N 0 3 196.294 1.633 10 0 ADAEHN CCOCCNCc1cccn1CC 85608852 572775695 /nfs/dbraw/zinc/77/56/95/572775695.db2.gz IVUQAAGRDVEGID-UHFFFAOYSA-N 0 3 196.294 1.634 10 0 ADAEHN C[C@H](C[C@H]1CCCO1)NCCF 308118688 572775696 /nfs/dbraw/zinc/77/56/96/572775696.db2.gz NSXIJFNVWCTFGR-RKDXNWHRSA-N 0 3 175.247 1.503 10 0 ADAEHN CCn1ccc(CNC2CC(O)C2)c1 85606965 572776850 /nfs/dbraw/zinc/77/68/50/572776850.db2.gz GNCFASUDXGYYHZ-UHFFFAOYSA-N 0 3 194.278 1.121 10 0 ADAEHN CCCn1cccc1CN[C@H](C)CO 85608735 572775932 /nfs/dbraw/zinc/77/59/32/572775932.db2.gz PBNOTMGUVMVLNB-SNVBAGLBSA-N 0 3 196.294 1.369 10 0 ADAEHN CC[C@@H](CO)NCc1cccn1CC 85608528 572776221 /nfs/dbraw/zinc/77/62/21/572776221.db2.gz KFMHIESZUYPENS-JTQLQIEISA-N 0 3 196.294 1.369 10 0 ADAEHN CCCn1cccc1CN[C@@H](C)CO 85608731 572776323 /nfs/dbraw/zinc/77/63/23/572776323.db2.gz PBNOTMGUVMVLNB-JTQLQIEISA-N 0 3 196.294 1.369 10 0 ADAEHN FCCNCCOC(F)(F)F 307927160 572776461 /nfs/dbraw/zinc/77/64/61/572776461.db2.gz SBTSSMDNAFKHDS-UHFFFAOYSA-N 0 3 175.125 1.082 10 0 ADAEHN CCn1cccc1CNC(C)(C)CO 85608538 572776702 /nfs/dbraw/zinc/77/67/02/572776702.db2.gz SIWRXPUQGMYDHL-UHFFFAOYSA-N 0 3 196.294 1.369 10 0 ADAEHN CC(C)NCc1c[nH]nc1C1CC1 85654837 572777577 /nfs/dbraw/zinc/77/75/77/572777577.db2.gz PFEFILDMRFDSME-UHFFFAOYSA-N 0 3 179.267 1.785 10 0 ADAEHN CCCc1n[nH]cc1CNC(C)C 85654873 572777590 /nfs/dbraw/zinc/77/75/90/572777590.db2.gz LBFGHVJCDGPRBV-UHFFFAOYSA-N 0 3 181.283 1.860 10 0 ADAEHN CCNCc1c[nH]nc1C(F)(F)F 85654847 572778698 /nfs/dbraw/zinc/77/86/98/572778698.db2.gz GVECTGRHPXMYQG-UHFFFAOYSA-N 0 3 193.172 1.538 10 0 ADAEHN CCCCCNCc1cnns1 307929963 572778127 /nfs/dbraw/zinc/77/81/27/572778127.db2.gz BMRFGUZTVVPKCD-UHFFFAOYSA-N 0 3 185.296 1.818 10 0 ADAEHN COc1ccc2c(c1C)[C@@H](N)CC2=O 713748038 572778168 /nfs/dbraw/zinc/77/81/68/572778168.db2.gz KAYRGRIHHWNBGQ-QMMMGPOBSA-N 0 3 191.230 1.590 10 0 ADAEHN CCCc1nc(NN)cc(C2CC2)n1 71007317 572778230 /nfs/dbraw/zinc/77/82/30/572778230.db2.gz FTMPZNMGRDSBGG-UHFFFAOYSA-N 0 3 192.266 1.592 10 0 ADAEHN CCCC[C@@H](N)c1cn(C)nn1 307928890 572778283 /nfs/dbraw/zinc/77/82/83/572778283.db2.gz AUKHEEHHTIVBMD-SSDOTTSWSA-N 0 3 168.244 1.005 10 0 ADAEHN CCc1n[nH]cc1CNC(C)C 85654853 572778316 /nfs/dbraw/zinc/77/83/16/572778316.db2.gz ALQWKQKGIPHTPJ-UHFFFAOYSA-N 0 3 167.256 1.470 10 0 ADAEHN COc1ccc2c(c1C)[C@H](N)CC2=O 713748036 572778770 /nfs/dbraw/zinc/77/87/70/572778770.db2.gz KAYRGRIHHWNBGQ-MRVPVSSYSA-N 0 3 191.230 1.590 10 0 ADAEHN FC(F)CN[C@@H]1CCN2CCC[C@H]12 49567322 572778952 /nfs/dbraw/zinc/77/89/52/572778952.db2.gz HERWRRVSTQVKOD-HTQZYQBOSA-N 0 3 190.237 1.078 10 0 ADAEHN CCNCc1c[nH]nc1C(F)F 85654857 572778960 /nfs/dbraw/zinc/77/89/60/572778960.db2.gz SWDHJNDDBHFLBS-UHFFFAOYSA-N 0 3 175.182 1.457 10 0 ADAEHN CCCC[C@H](N)c1cn(C)nn1 307928892 572779064 /nfs/dbraw/zinc/77/90/64/572779064.db2.gz AUKHEEHHTIVBMD-ZETCQYMHSA-N 0 3 168.244 1.005 10 0 ADAEHN O=C1CCNC[C@H]1CCCCCCO 236477691 572779131 /nfs/dbraw/zinc/77/91/31/572779131.db2.gz KHXCUIZHVZHGMH-SNVBAGLBSA-N 0 3 199.294 1.108 10 0 ADAEHN OCCC1(CNC/C=C/Cl)CC1 236474074 572779142 /nfs/dbraw/zinc/77/91/42/572779142.db2.gz BESSOYPBQBANHE-ORCRQEGFSA-N 0 3 189.686 1.491 10 0 ADAEHN O=C1CCNC[C@@H]1CCCCCCO 236478382 572779507 /nfs/dbraw/zinc/77/95/07/572779507.db2.gz KHXCUIZHVZHGMH-JTQLQIEISA-N 0 3 199.294 1.108 10 0 ADAEHN FC(F)CN[C@H]1CCN2CCC[C@@H]12 49567329 572779736 /nfs/dbraw/zinc/77/97/36/572779736.db2.gz HERWRRVSTQVKOD-YUMQZZPRSA-N 0 3 190.237 1.078 10 0 ADAEHN FC(F)CN[C@H]1CCN2CCC[C@H]12 49567325 572779779 /nfs/dbraw/zinc/77/97/79/572779779.db2.gz HERWRRVSTQVKOD-JGVFFNPUSA-N 0 3 190.237 1.078 10 0 ADAEHN CC(C)NCc1c[nH]nc1C(F)F 85654831 572779798 /nfs/dbraw/zinc/77/97/98/572779798.db2.gz RWLUIBFQDMISKG-UHFFFAOYSA-N 0 3 189.209 1.845 10 0 ADAEHN CC(C)c1c(N)cnn1CCN(C)C 85654744 572780416 /nfs/dbraw/zinc/78/04/16/572780416.db2.gz ZZFQZYCOONAWGX-UHFFFAOYSA-N 0 3 196.298 1.150 10 0 ADAEHN CCc1n[nH]cc1CNC1CC1 85654841 572780801 /nfs/dbraw/zinc/78/08/01/572780801.db2.gz PMESPQCFDSZFKI-UHFFFAOYSA-N 0 3 165.240 1.224 10 0 ADAEHN CC(C)c1n[nH]cc1CNC1CC1 85654869 572780913 /nfs/dbraw/zinc/78/09/13/572780913.db2.gz WGWFUIYCJHLSBE-UHFFFAOYSA-N 0 3 179.267 1.785 10 0 ADAEHN COc1cc(C)c2c(c1)COC[C@H]2N 713749910 572781004 /nfs/dbraw/zinc/78/10/04/572781004.db2.gz RWKZIVNOKRKCOF-SNVBAGLBSA-N 0 3 193.246 1.534 10 0 ADAEHN COc1cc(C)c2c(c1)COC[C@@H]2N 713749908 572781281 /nfs/dbraw/zinc/78/12/81/572781281.db2.gz RWKZIVNOKRKCOF-JTQLQIEISA-N 0 3 193.246 1.534 10 0 ADAEHN C1CO[C@@H](CCCN2CCC2)C1 308131928 572783573 /nfs/dbraw/zinc/78/35/73/572783573.db2.gz XYLNXYCXRVRHER-JTQLQIEISA-N 0 3 169.268 1.651 10 0 ADAEHN CN[C@H](c1ccn(C)n1)[C@@H]1C[C@H]1C 299996741 572781512 /nfs/dbraw/zinc/78/15/12/572781512.db2.gz SSIDEPFLZMOJFA-MRTMQBJTSA-N 0 3 179.267 1.337 10 0 ADAEHN FC(F)CN[C@@H]1CCN2CCC[C@@H]12 49567324 572781967 /nfs/dbraw/zinc/78/19/67/572781967.db2.gz HERWRRVSTQVKOD-SFYZADRCSA-N 0 3 190.237 1.078 10 0 ADAEHN CCCCn1cc(C)c(CN)n1 308119125 572781841 /nfs/dbraw/zinc/78/18/41/572781841.db2.gz OAMZXKLIBVVHFE-UHFFFAOYSA-N 0 3 167.256 1.450 10 0 ADAEHN CCC(CC)OCOC1CNC1 308119086 572781918 /nfs/dbraw/zinc/78/19/18/572781918.db2.gz NXZIPSJCFGOYHG-UHFFFAOYSA-N 0 3 173.256 1.138 10 0 ADAEHN c1nnsc1CNCCC1CC1 308120422 572781949 /nfs/dbraw/zinc/78/19/49/572781949.db2.gz PCVYBLUBRLOUQN-UHFFFAOYSA-N 0 3 183.280 1.428 10 0 ADAEHN Cn1ccc([C@H](N)[C@H]2C[C@@H]3C[C@@H]3C2)n1 299998419 572782220 /nfs/dbraw/zinc/78/22/20/572782220.db2.gz YIWYVAKPIAJCKH-PKIKSRDPSA-N 0 3 191.278 1.466 10 0 ADAEHN C[C@@H]1CC[C@H]([C@H](N)c2ccn(C)n2)C1 299997886 572782305 /nfs/dbraw/zinc/78/23/05/572782305.db2.gz WIZOZQUPPNDTPL-YWVKMMECSA-N 0 3 193.294 1.856 10 0 ADAEHN OCc1cnc([C@@H]2CCN2)cc1Cl 713749775 572782274 /nfs/dbraw/zinc/78/22/74/572782274.db2.gz RCNFZNLLPMXRSA-QMMMGPOBSA-N 0 3 198.653 1.262 10 0 ADAEHN CCCc1c(CN)cnn1CC 85655136 572782412 /nfs/dbraw/zinc/78/24/12/572782412.db2.gz MRHFRUGXLWXDOY-UHFFFAOYSA-N 0 3 167.256 1.314 10 0 ADAEHN CN[C@H](c1ccn(C)n1)[C@H]1C[C@H]1C 299996742 572782599 /nfs/dbraw/zinc/78/25/99/572782599.db2.gz SSIDEPFLZMOJFA-WEDXCCLWSA-N 0 3 179.267 1.337 10 0 ADAEHN Cn1ccc([C@@H](N)[C@H]2C[C@@H]3C[C@@H]3C2)n1 299998418 572782856 /nfs/dbraw/zinc/78/28/56/572782856.db2.gz YIWYVAKPIAJCKH-DKIAZLNASA-N 0 3 191.278 1.466 10 0 ADAEHN CCCNCc1c[nH]nc1C(F)F 85654906 572782964 /nfs/dbraw/zinc/78/29/64/572782964.db2.gz LBAINMMFZCOMPK-UHFFFAOYSA-N 0 3 189.209 1.847 10 0 ADAEHN CCc1c(CNC2CC2)cnn1C 85654935 572783017 /nfs/dbraw/zinc/78/30/17/572783017.db2.gz OTJXTACSGQSAKQ-UHFFFAOYSA-N 0 3 179.267 1.235 10 0 ADAEHN CC(C)CN(C)Cc1cnoc1 308128828 572783199 /nfs/dbraw/zinc/78/31/99/572783199.db2.gz WMZJLJUKFYEQGY-UHFFFAOYSA-N 0 3 168.240 1.762 10 0 ADAEHN CCCc1c(CN)cnn1CC(C)C 85655015 572783203 /nfs/dbraw/zinc/78/32/03/572783203.db2.gz SOVOAEJFDYQQJO-UHFFFAOYSA-N 0 3 195.310 1.950 10 0 ADAEHN CCNCc1cnn(C)c1C(C)C 85654991 572783214 /nfs/dbraw/zinc/78/32/14/572783214.db2.gz OUDUYKRUICYFBY-UHFFFAOYSA-N 0 3 181.283 1.653 10 0 ADAEHN CCNCc1cnn(C)c1C(F)F 85654953 572783263 /nfs/dbraw/zinc/78/32/63/572783263.db2.gz FOEYTQSLCPBKTO-UHFFFAOYSA-N 0 3 189.209 1.467 10 0 ADAEHN CCNCc1c[nH]nc1C1CC1 85654876 572783436 /nfs/dbraw/zinc/78/34/36/572783436.db2.gz UGWCGLGRPYOPBE-UHFFFAOYSA-N 0 3 165.240 1.397 10 0 ADAEHN OCc1cnc([C@H]2CCN2)cc1Cl 713749772 572783437 /nfs/dbraw/zinc/78/34/37/572783437.db2.gz RCNFZNLLPMXRSA-MRVPVSSYSA-N 0 3 198.653 1.262 10 0 ADAEHN CC(C)Cn1ncc(CN)c1C1CC1 85655026 572783463 /nfs/dbraw/zinc/78/34/63/572783463.db2.gz NSUJUDLWESBRLV-UHFFFAOYSA-N 0 3 193.294 1.875 10 0 ADAEHN CCCn1ncc(CN)c1C(C)C 85655238 572783485 /nfs/dbraw/zinc/78/34/85/572783485.db2.gz BBBVSNWKPOWAIS-UHFFFAOYSA-N 0 3 181.283 1.875 10 0 ADAEHN C[C@@H]1CC[C@@H]([C@H](N)c2ccn(C)n2)C1 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572843271 /nfs/dbraw/zinc/84/32/71/572843271.db2.gz QCKRRLUQOMIADP-UHFFFAOYSA-N 0 3 167.256 1.375 10 0 ADAEHN Cc1nc(-c2cnc(C)o2)c(CN)[nH]1 75407834 572843323 /nfs/dbraw/zinc/84/33/23/572843323.db2.gz PMHRIUARPKDUDT-UHFFFAOYSA-N 0 3 192.222 1.140 10 0 ADAEHN C[C@@H](CO)NCc1sccc1F 307963448 572843350 /nfs/dbraw/zinc/84/33/50/572843350.db2.gz OJKQTVACBJXQQL-LURJTMIESA-N 0 3 189.255 1.358 10 0 ADAEHN C/C=C\CNC[C@H](O)c1ccsc1 308149169 572843419 /nfs/dbraw/zinc/84/34/19/572843419.db2.gz FNBQXFVPEGOFSH-ZMWSMAPVSA-N 0 3 197.303 1.947 10 0 ADAEHN Cc1nc(-c2cncs2)c(CN)[nH]1 75407818 572843503 /nfs/dbraw/zinc/84/35/03/572843503.db2.gz XDZXWVDTTFFWAJ-UHFFFAOYSA-N 0 3 194.263 1.300 10 0 ADAEHN Cc1nc(-c2ccccn2)c(CN)[nH]1 75407446 572843594 /nfs/dbraw/zinc/84/35/94/572843594.db2.gz IHBBLFGBEHNPKS-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN CC(C)Cc1nc(C2CC2)[nH]c1CN 75407243 572843614 /nfs/dbraw/zinc/84/36/14/572843614.db2.gz CNESIUDTZGIWDL-UHFFFAOYSA-N 0 3 193.294 1.944 10 0 ADAEHN CN[C@H](CCSC)c1cn(C)cn1 308149314 572843636 /nfs/dbraw/zinc/84/36/36/572843636.db2.gz PXKOUBVKXIRUSC-MRVPVSSYSA-N 0 3 199.323 1.434 10 0 ADAEHN COc1ccc([C@H](N)C(C)(C)C)nn1 234875015 572843984 /nfs/dbraw/zinc/84/39/84/572843984.db2.gz JVQNOLSYGFIERO-VIFPVBQESA-N 0 3 195.266 1.531 10 0 ADAEHN CC[C@H](C)N(C)[C@H](C)C[S@@](C)=O 307954476 572844235 /nfs/dbraw/zinc/84/42/35/572844235.db2.gz QHBGRFPTTJNTAD-YGOYTEALSA-N 0 3 191.340 1.484 10 0 ADAEHN CC[C@H](C)N(C)[C@H](C)C[S@](C)=O 307954475 572844435 /nfs/dbraw/zinc/84/44/35/572844435.db2.gz QHBGRFPTTJNTAD-SBMIAAHKSA-N 0 3 191.340 1.484 10 0 ADAEHN C[C@H](CO)NCc1sccc1F 307963449 572844530 /nfs/dbraw/zinc/84/45/30/572844530.db2.gz OJKQTVACBJXQQL-ZCFIWIBFSA-N 0 3 189.255 1.358 10 0 ADAEHN Nc1cccc(CCNCCF)c1 308149326 572844580 /nfs/dbraw/zinc/84/45/80/572844580.db2.gz PXRMSPXYWSQSSW-UHFFFAOYSA-N 0 3 182.242 1.370 10 0 ADAEHN COC(C)(C)C[C@@H]1NC[C@H](C)S1 234615421 572844715 /nfs/dbraw/zinc/84/47/15/572844715.db2.gz VLDARQWKKDMVCN-JGVFFNPUSA-N 0 3 189.324 1.853 10 0 ADAEHN CC[C@H](C)N(C)[C@@H](C)C[S@](C)=O 307954472 572844733 /nfs/dbraw/zinc/84/47/33/572844733.db2.gz QHBGRFPTTJNTAD-AUTRQRHGSA-N 0 3 191.340 1.484 10 0 ADAEHN CC[C@@H](C)N(CCO)[C@@H](C)C(C)=O 308152849 572845240 /nfs/dbraw/zinc/84/52/40/572845240.db2.gz RSTCWGJEXUXIFD-BDAKNGLRSA-N 0 3 187.283 1.057 10 0 ADAEHN CN[C@@H](C(=O)C(C)C)C(C)C 77261114 572845650 /nfs/dbraw/zinc/84/56/50/572845650.db2.gz PXGWOSHJDOPJHY-MRVPVSSYSA-N 0 3 157.257 1.456 10 0 ADAEHN CC[C@@H](C)N(CCO)[C@H](C)C(C)=O 308152854 572846322 /nfs/dbraw/zinc/84/63/22/572846322.db2.gz RSTCWGJEXUXIFD-RKDXNWHRSA-N 0 3 187.283 1.057 10 0 ADAEHN COC(C)(C)C[C@@H]1NC[C@@H](C)S1 234615348 572845670 /nfs/dbraw/zinc/84/56/70/572845670.db2.gz VLDARQWKKDMVCN-HTQZYQBOSA-N 0 3 189.324 1.853 10 0 ADAEHN CNC1(C(=O)CC2CC2)CCC1 307958921 572845981 /nfs/dbraw/zinc/84/59/81/572845981.db2.gz INDCKNKXQYURBM-UHFFFAOYSA-N 0 3 167.252 1.498 10 0 ADAEHN CCCC(=O)[C@H](NC)C(C)C 77261111 572846187 /nfs/dbraw/zinc/84/61/87/572846187.db2.gz JHPPQHGQXISMJS-SECBINFHSA-N 0 3 157.257 1.600 10 0 ADAEHN CC(C)c1nnc(CCN(C)C)o1 308151796 572846347 /nfs/dbraw/zinc/84/63/47/572846347.db2.gz OUEALESRQHWGBY-UHFFFAOYSA-N 0 3 183.255 1.297 10 0 ADAEHN CC(C)CNC(=O)C(C)(C)N(C)C 308151787 572846455 /nfs/dbraw/zinc/84/64/55/572846455.db2.gz OTRIHEJNNRWKPC-UHFFFAOYSA-N 0 3 186.299 1.099 10 0 ADAEHN CC[C@@H](COC)NC(C)(C)CF 307959445 572846808 /nfs/dbraw/zinc/84/68/08/572846808.db2.gz UXCFILCVXBFIFH-QMMMGPOBSA-N 0 3 177.263 1.749 10 0 ADAEHN CC[C@H](COC)NC(C)(C)CF 307959444 572846992 /nfs/dbraw/zinc/84/69/92/572846992.db2.gz UXCFILCVXBFIFH-MRVPVSSYSA-N 0 3 177.263 1.749 10 0 ADAEHN C[C@H]1NCCO[C@@H]1C(C)(C)C 77261099 572847295 /nfs/dbraw/zinc/84/72/95/572847295.db2.gz CBZSOHSRJIIUOP-SFYZADRCSA-N 0 3 157.257 1.409 10 0 ADAEHN Cn1ccc(CCNC/C=C\Cl)n1 308151811 572847297 /nfs/dbraw/zinc/84/72/97/572847297.db2.gz IYOGEMKHWGOSQY-DJWKRKHSSA-N 0 3 199.685 1.305 10 0 ADAEHN C[C@H](CCO)N[C@H]1CCC[C@H]1F 393484787 572847312 /nfs/dbraw/zinc/84/73/12/572847312.db2.gz WQQIJHNZFCXTIY-HLTSFMKQSA-N 0 3 175.247 1.238 10 0 ADAEHN CC[C@@H](C)c1oncc1CNC 307959303 572847383 /nfs/dbraw/zinc/84/73/83/572847383.db2.gz JCYULTCLWBARIY-SSDOTTSWSA-N 0 3 168.240 1.908 10 0 ADAEHN CCCC(=O)[C@@H](NC)C(C)C 77261112 572847448 /nfs/dbraw/zinc/84/74/48/572847448.db2.gz JHPPQHGQXISMJS-VIFPVBQESA-N 0 3 157.257 1.600 10 0 ADAEHN C[C@]1(c2ccccc2)C[C@@H](O)CCN1 71485140 572847494 /nfs/dbraw/zinc/84/74/94/572847494.db2.gz ISIAEXBRNVLMGY-NWDGAFQWSA-N 0 3 191.274 1.646 10 0 ADAEHN CC[C@H](C)c1oncc1CNC 307959304 572847534 /nfs/dbraw/zinc/84/75/34/572847534.db2.gz JCYULTCLWBARIY-ZETCQYMHSA-N 0 3 168.240 1.908 10 0 ADAEHN C[C@H](CSc1ncco1)N(C)C 307959131 572847540 /nfs/dbraw/zinc/84/75/40/572847540.db2.gz UMSNTNNAEYMUEW-SSDOTTSWSA-N 0 3 186.280 1.717 10 0 ADAEHN CCOCCN(C)[C@@H](C)CC(C)=O 87978523 572848284 /nfs/dbraw/zinc/84/82/84/572848284.db2.gz YWYWSTCDWXRVNX-VIFPVBQESA-N 0 3 187.283 1.322 10 0 ADAEHN CC[C@@H](C)Oc1ncc(CN)cn1 308151732 572847654 /nfs/dbraw/zinc/84/76/54/572847654.db2.gz RGCGSZXINJBUQV-SSDOTTSWSA-N 0 3 181.239 1.113 10 0 ADAEHN C[C@H]1NCCO[C@H]1C(C)(C)C 77261097 572847710 /nfs/dbraw/zinc/84/77/10/572847710.db2.gz CBZSOHSRJIIUOP-HTQZYQBOSA-N 0 3 157.257 1.409 10 0 ADAEHN CC[C@H](C)N(CCO)[C@H](C)C(C)=O 308152850 572847744 /nfs/dbraw/zinc/84/77/44/572847744.db2.gz RSTCWGJEXUXIFD-DTWKUNHWSA-N 0 3 187.283 1.057 10 0 ADAEHN C[C@@H](CSc1ncco1)N(C)C 307959132 572847835 /nfs/dbraw/zinc/84/78/35/572847835.db2.gz UMSNTNNAEYMUEW-ZETCQYMHSA-N 0 3 186.280 1.717 10 0 ADAEHN C[C@@H]1NCCO[C@H]1C(C)(C)C 77261098 572847847 /nfs/dbraw/zinc/84/78/47/572847847.db2.gz CBZSOHSRJIIUOP-JGVFFNPUSA-N 0 3 157.257 1.409 10 0 ADAEHN CN[C@H](C(=O)C(C)C)C(C)C 77261113 572847923 /nfs/dbraw/zinc/84/79/23/572847923.db2.gz PXGWOSHJDOPJHY-QMMMGPOBSA-N 0 3 157.257 1.456 10 0 ADAEHN CC[C@H](C)N(CCO)[C@@H](C)C(C)=O 308152852 572847929 /nfs/dbraw/zinc/84/79/29/572847929.db2.gz RSTCWGJEXUXIFD-IUCAKERBSA-N 0 3 187.283 1.057 10 0 ADAEHN CCCN[C@H](C=C(C)C)c1nnc[nH]1 86057634 572849239 /nfs/dbraw/zinc/84/92/39/572849239.db2.gz GARNKGBZVZTBKT-SECBINFHSA-N 0 3 194.282 1.812 10 0 ADAEHN CC[C@H](C)Oc1ncc(CN)cn1 308151733 572847972 /nfs/dbraw/zinc/84/79/72/572847972.db2.gz RGCGSZXINJBUQV-ZETCQYMHSA-N 0 3 181.239 1.113 10 0 ADAEHN C[C@@H]1NCCO[C@@H]1C(C)(C)C 77261100 572848024 /nfs/dbraw/zinc/84/80/24/572848024.db2.gz CBZSOHSRJIIUOP-YUMQZZPRSA-N 0 3 157.257 1.409 10 0 ADAEHN CCOCCN(C)[C@H]1CCC(=O)C1 87978513 572848356 /nfs/dbraw/zinc/84/83/56/572848356.db2.gz ARWIOYWNHUHOCQ-VIFPVBQESA-N 0 3 185.267 1.076 10 0 ADAEHN C[C@@H]1NCCO[C@H]1c1ccc[nH]1 77261977 572848461 /nfs/dbraw/zinc/84/84/61/572848461.db2.gz JBZQCJOPXZIDGA-IONNQARKSA-N 0 3 166.224 1.064 10 0 ADAEHN CCN[C@@H](C=C(C)C)c1nnc[nH]1 86057621 572848526 /nfs/dbraw/zinc/84/85/26/572848526.db2.gz PDYRFYSMFJHZQA-QMMMGPOBSA-N 0 3 180.255 1.422 10 0 ADAEHN CCOCCN(C)[C@@H]1CCC(=O)C1 87978512 572848576 /nfs/dbraw/zinc/84/85/76/572848576.db2.gz ARWIOYWNHUHOCQ-SECBINFHSA-N 0 3 185.267 1.076 10 0 ADAEHN CCCCn1nc(C)cc1CN 77262427 572848613 /nfs/dbraw/zinc/84/86/13/572848613.db2.gz MMFZBQRXVRDUOB-UHFFFAOYSA-N 0 3 167.256 1.450 10 0 ADAEHN CN(C)CCCNc1ccc(C=O)[nH]1 75492191 572848751 /nfs/dbraw/zinc/84/87/51/572848751.db2.gz FZCRJQGHGLUCKY-UHFFFAOYSA-N 0 3 195.266 1.191 10 0 ADAEHN CCOCCN(C)CCCC(C)=O 87978507 572848812 /nfs/dbraw/zinc/84/88/12/572848812.db2.gz TXJJKQFKVZBFBW-UHFFFAOYSA-N 0 3 187.283 1.324 10 0 ADAEHN C[C@@H]1N[C@H](C)Cc2ccc(O)cc21 71485109 572848884 /nfs/dbraw/zinc/84/88/84/572848884.db2.gz VJTFEWFGFWDOHV-SFYZADRCSA-N 0 3 177.247 1.987 10 0 ADAEHN Cc1ncc2c(n1)CC(C)(C)C[C@H]2N 50094197 572848886 /nfs/dbraw/zinc/84/88/86/572848886.db2.gz VXLHBWFCNLOOPH-SECBINFHSA-N 0 3 191.278 1.757 10 0 ADAEHN Cc1ncc2c(n1)CC(C)(C)C[C@@H]2N 50094196 572848901 /nfs/dbraw/zinc/84/89/01/572848901.db2.gz VXLHBWFCNLOOPH-VIFPVBQESA-N 0 3 191.278 1.757 10 0 ADAEHN CN(C)CCNc1ccc(C=O)s1 75491000 572848986 /nfs/dbraw/zinc/84/89/86/572848986.db2.gz UCFZLDUIASWNAP-UHFFFAOYSA-N 0 3 198.291 1.534 10 0 ADAEHN CCCCn1nc(CN)cc1C 77262419 572849234 /nfs/dbraw/zinc/84/92/34/572849234.db2.gz GGAVRCPFNFIDBN-UHFFFAOYSA-N 0 3 167.256 1.450 10 0 ADAEHN CCN[C@H](C=C(C)C)c1nnc[nH]1 86057624 572849312 /nfs/dbraw/zinc/84/93/12/572849312.db2.gz PDYRFYSMFJHZQA-MRVPVSSYSA-N 0 3 180.255 1.422 10 0 ADAEHN C[C@@]1(c2ccccc2)C[C@H](O)CCN1 71485139 572849406 /nfs/dbraw/zinc/84/94/06/572849406.db2.gz ISIAEXBRNVLMGY-NEPJUHHUSA-N 0 3 191.274 1.646 10 0 ADAEHN NC[C@H](O)c1cc2ccoc2cc1F 75428436 572849527 /nfs/dbraw/zinc/84/95/27/572849527.db2.gz KWZYACYBYFXKOU-VIFPVBQESA-N 0 3 195.193 1.564 10 0 ADAEHN C[C@@H](CCO)N[C@H]1CCC[C@H]1F 393484790 572849642 /nfs/dbraw/zinc/84/96/42/572849642.db2.gz WQQIJHNZFCXTIY-YIZRAAEISA-N 0 3 175.247 1.238 10 0 ADAEHN C/C=C/C(=O)OC[C@H](C)N(C)C 307960220 572849622 /nfs/dbraw/zinc/84/96/22/572849622.db2.gz VSVMDHVHBMTSSU-GJIOHYHPSA-N 0 3 171.240 1.056 10 0 ADAEHN CCCN[C@@H](C=C(C)C)c1nnc[nH]1 86057633 572849762 /nfs/dbraw/zinc/84/97/62/572849762.db2.gz GARNKGBZVZTBKT-VIFPVBQESA-N 0 3 194.282 1.812 10 0 ADAEHN CSC[C@@H](C)[C@@H](N)c1cn(C)cn1 308145026 572849795 /nfs/dbraw/zinc/84/97/95/572849795.db2.gz NMFARXMJIYVSIY-VXNVDRBHSA-N 0 3 199.323 1.419 10 0 ADAEHN C[C@H]1NCCO[C@H]1c1ccc[nH]1 77261970 572849796 /nfs/dbraw/zinc/84/97/96/572849796.db2.gz JBZQCJOPXZIDGA-VXNVDRBHSA-N 0 3 166.224 1.064 10 0 ADAEHN CN(C)CCNc1cc(N)cs1 75491061 572849893 /nfs/dbraw/zinc/84/98/93/572849893.db2.gz JFAOTYQPYGTTOH-UHFFFAOYSA-N 0 3 185.296 1.304 10 0 ADAEHN CCOCCN(C)C[C@@H]1CCCC1=O 87979289 572850019 /nfs/dbraw/zinc/85/00/19/572850019.db2.gz ONOFDUZKZPSDNS-JTQLQIEISA-N 0 3 199.294 1.324 10 0 ADAEHN NC[C@@H](O)c1ccc2occc2c1F 75428579 572850032 /nfs/dbraw/zinc/85/00/32/572850032.db2.gz GJSAZTGSBZOENZ-MRVPVSSYSA-N 0 3 195.193 1.564 10 0 ADAEHN C/C=C\C(=O)OC[C@@H](C)N(C)C 307960223 572850078 /nfs/dbraw/zinc/85/00/78/572850078.db2.gz VSVMDHVHBMTSSU-RPSMYOMKSA-N 0 3 171.240 1.056 10 0 ADAEHN CCOCCN(C)C[C@H]1CCCC1=O 87979290 572850163 /nfs/dbraw/zinc/85/01/63/572850163.db2.gz ONOFDUZKZPSDNS-SNVBAGLBSA-N 0 3 199.294 1.324 10 0 ADAEHN CC(C)[C@H](C)N(C)Cc1cn[nH]n1 308145314 572850179 /nfs/dbraw/zinc/85/01/79/572850179.db2.gz LJLWYEZZMUQFJA-QMMMGPOBSA-N 0 3 182.271 1.281 10 0 ADAEHN CC(C)[C@H](C)N(C)Cc1c[nH]nn1 308145314 572850183 /nfs/dbraw/zinc/85/01/83/572850183.db2.gz LJLWYEZZMUQFJA-QMMMGPOBSA-N 0 3 182.271 1.281 10 0 ADAEHN C/C=C/C(=O)OC[C@@H](C)N(C)C 307960221 572850194 /nfs/dbraw/zinc/85/01/94/572850194.db2.gz VSVMDHVHBMTSSU-HQZHTGGTSA-N 0 3 171.240 1.056 10 0 ADAEHN C/C=C\C(=O)OC[C@H](C)N(C)C 307960224 572850239 /nfs/dbraw/zinc/85/02/39/572850239.db2.gz VSVMDHVHBMTSSU-SLGIHZDVSA-N 0 3 171.240 1.056 10 0 ADAEHN CN(C)CCNc1cc(C=O)cs1 75491132 572850245 /nfs/dbraw/zinc/85/02/45/572850245.db2.gz IFHJVVJKXNKVOT-UHFFFAOYSA-N 0 3 198.291 1.534 10 0 ADAEHN C[C@@H]1NCCO[C@@H]1c1ccc[nH]1 77261985 572850313 /nfs/dbraw/zinc/85/03/13/572850313.db2.gz JBZQCJOPXZIDGA-CBAPKCEASA-N 0 3 166.224 1.064 10 0 ADAEHN 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0 3 191.234 1.297 10 0 ADAEHN C[C@@H](N)c1ccc(CO)s1 713773624 572908167 /nfs/dbraw/zinc/90/81/67/572908167.db2.gz SSDNCJBBSMLHMO-RXMQYKEDSA-N 0 3 157.238 1.260 10 0 ADAEHN Cc1n[nH]cc1[C@H](N)c1ccncc1 75871388 572908210 /nfs/dbraw/zinc/90/82/10/572908210.db2.gz ZBIJAQBVZFKZAU-SNVBAGLBSA-N 0 3 188.234 1.161 10 0 ADAEHN COC(=O)[C@H](C)N1CCC[C@H](C)[C@H]1C 50565548 572908320 /nfs/dbraw/zinc/90/83/20/572908320.db2.gz WFJYETOWLDKWKL-AEJSXWLSSA-N 0 3 199.294 1.668 10 0 ADAEHN C=Cn1ccnc1[C@H]1CCCN1 75868295 572908380 /nfs/dbraw/zinc/90/83/80/572908380.db2.gz NSXYDIZEVXUVKK-MRVPVSSYSA-N 0 3 163.224 1.408 10 0 ADAEHN CCCSC[C@H](N)c1cn(C)cn1 308184034 572908521 /nfs/dbraw/zinc/90/85/21/572908521.db2.gz IODHSDPNBOIPSU-QMMMGPOBSA-N 0 3 199.323 1.563 10 0 ADAEHN Cc1c(F)ccc2c1[C@@H](N)CO2 713774272 572908825 /nfs/dbraw/zinc/90/88/25/572908825.db2.gz XCONURIHUZMFEH-ZETCQYMHSA-N 0 3 167.183 1.526 10 0 ADAEHN CN[C@@H](c1cnc(OC)s1)C1CC1 308184340 572909428 /nfs/dbraw/zinc/90/94/28/572909428.db2.gz FAEZPYVMFTWKMA-MRVPVSSYSA-N 0 3 198.291 1.822 10 0 ADAEHN Nc1ccc([C@H](N)c2ccncc2)cc1 75871390 572909437 /nfs/dbraw/zinc/90/94/37/572909437.db2.gz ZDXLWDOLJAUYKN-LBPRGKRZSA-N 0 3 199.257 1.712 10 0 ADAEHN Nc1ccc([C@@H](N)c2ccncc2)cc1 75871391 572909633 /nfs/dbraw/zinc/90/96/33/572909633.db2.gz ZDXLWDOLJAUYKN-GFCCVEGCSA-N 0 3 199.257 1.712 10 0 ADAEHN Cc1n[nH]cc1[C@@H](N)c1ccncc1 75871389 572909578 /nfs/dbraw/zinc/90/95/78/572909578.db2.gz ZBIJAQBVZFKZAU-JTQLQIEISA-N 0 3 188.234 1.161 10 0 ADAEHN C[C@H](N)c1ccc(CO)s1 713773628 572909662 /nfs/dbraw/zinc/90/96/62/572909662.db2.gz SSDNCJBBSMLHMO-YFKPBYRVSA-N 0 3 157.238 1.260 10 0 ADAEHN COc1cc(F)c2c(c1)[C@@H](N)COC2 713774526 572909701 /nfs/dbraw/zinc/90/97/01/572909701.db2.gz MOUDAAHOYZXDAO-JTQLQIEISA-N 0 3 197.209 1.364 10 0 ADAEHN C=Cn1ccnc1[C@H]1CCCCN1 75869200 572909754 /nfs/dbraw/zinc/90/97/54/572909754.db2.gz VXVSPRTUOPOVAC-SECBINFHSA-N 0 3 177.251 1.798 10 0 ADAEHN C=Cn1ccnc1[C@@H]1CCCCN1 75869199 572909767 /nfs/dbraw/zinc/90/97/67/572909767.db2.gz VXVSPRTUOPOVAC-VIFPVBQESA-N 0 3 177.251 1.798 10 0 ADAEHN COc1cc(F)c2c(c1)[C@H](N)COC2 713774528 572909969 /nfs/dbraw/zinc/90/99/69/572909969.db2.gz MOUDAAHOYZXDAO-SNVBAGLBSA-N 0 3 197.209 1.364 10 0 ADAEHN Nc1cccc([C@H](N)c2ccncc2)c1 75871392 572910069 /nfs/dbraw/zinc/91/00/69/572910069.db2.gz YDZJKKKJWANZQX-GFCCVEGCSA-N 0 3 199.257 1.712 10 0 ADAEHN C=Cn1ccnc1[C@@H]1CCCN1 75868293 572910200 /nfs/dbraw/zinc/91/02/00/572910200.db2.gz NSXYDIZEVXUVKK-QMMMGPOBSA-N 0 3 163.224 1.408 10 0 ADAEHN CN(C)Cc1cccc(CCO)c1 75856864 572910208 /nfs/dbraw/zinc/91/02/08/572910208.db2.gz KCIBQCBHTDPNGK-UHFFFAOYSA-N 0 3 179.263 1.283 10 0 ADAEHN Cn1ncc(N)c1[C@H]1CCCCCN1 75868914 572910243 /nfs/dbraw/zinc/91/02/43/572910243.db2.gz LCRZUMVQNZINNP-SECBINFHSA-N 0 3 194.282 1.207 10 0 ADAEHN Nc1cccc([C@@H](N)c2ccncc2)c1 75871393 572910250 /nfs/dbraw/zinc/91/02/50/572910250.db2.gz YDZJKKKJWANZQX-LBPRGKRZSA-N 0 3 199.257 1.712 10 0 ADAEHN COc1c(F)ccc2c1[C@H](N)COC2 713774093 572910309 /nfs/dbraw/zinc/91/03/09/572910309.db2.gz LODSOOPEERRJDT-MRVPVSSYSA-N 0 3 197.209 1.364 10 0 ADAEHN N[C@@H](c1nccc2cc[nH]c12)C1CC1 713774602 572910625 /nfs/dbraw/zinc/91/06/25/572910625.db2.gz ZCJDMDQVCPUIOT-SECBINFHSA-N 0 3 187.246 1.973 10 0 ADAEHN CCO[C@@H](CC)[C@H](N)c1ccc[nH]1 308185574 572910728 /nfs/dbraw/zinc/91/07/28/572910728.db2.gz FIRQGBCZXYLCAM-VHSXEESVSA-N 0 3 182.267 1.830 10 0 ADAEHN Nc1c(F)cc(F)c2c1[C@H](N)CC2=O 713775205 572911048 /nfs/dbraw/zinc/91/10/48/572911048.db2.gz PXYSRRNLUKACOU-RXMQYKEDSA-N 0 3 198.172 1.133 10 0 ADAEHN Nc1c(F)cc(F)c2c1[C@@H](N)CC2=O 713775209 572911210 /nfs/dbraw/zinc/91/12/10/572911210.db2.gz PXYSRRNLUKACOU-YFKPBYRVSA-N 0 3 198.172 1.133 10 0 ADAEHN CCO[C@@H](CC)[C@@H](N)c1ccc[nH]1 308185573 572911278 /nfs/dbraw/zinc/91/12/78/572911278.db2.gz FIRQGBCZXYLCAM-UWVGGRQHSA-N 0 3 182.267 1.830 10 0 ADAEHN CCO[C@H](CC)[C@H](N)c1ccc[nH]1 308185572 572911583 /nfs/dbraw/zinc/91/15/83/572911583.db2.gz FIRQGBCZXYLCAM-NXEZZACHSA-N 0 3 182.267 1.830 10 0 ADAEHN CCO[C@H](CC)[C@@H](N)c1ccc[nH]1 308185575 572911607 /nfs/dbraw/zinc/91/16/07/572911607.db2.gz FIRQGBCZXYLCAM-ZJUUUORDSA-N 0 3 182.267 1.830 10 0 ADAEHN N[C@H](c1nccc2cc[nH]c12)C1CC1 713774604 572911660 /nfs/dbraw/zinc/91/16/60/572911660.db2.gz ZCJDMDQVCPUIOT-VIFPVBQESA-N 0 3 187.246 1.973 10 0 ADAEHN CCn1cnc([C@@H](N)CC(C)C)c1 308187635 572913505 /nfs/dbraw/zinc/91/35/05/572913505.db2.gz LCJGWFDBUHZYTC-VIFPVBQESA-N 0 3 181.283 1.949 10 0 ADAEHN CCCCC(=O)Cc1cnccc1N 86315055 572912866 /nfs/dbraw/zinc/91/28/66/572912866.db2.gz BWDYVMNPGCWVSD-UHFFFAOYSA-N 0 3 192.262 1.966 10 0 ADAEHN CCn1cnc([C@H](N)CC(C)C)c1 308187634 572913334 /nfs/dbraw/zinc/91/33/34/572913334.db2.gz LCJGWFDBUHZYTC-SECBINFHSA-N 0 3 181.283 1.949 10 0 ADAEHN CSCCN[C@H](C)c1cncnc1 308186050 572913347 /nfs/dbraw/zinc/91/33/47/572913347.db2.gz JDMOQJXKOXJIEJ-MRVPVSSYSA-N 0 3 197.307 1.490 10 0 ADAEHN C1=CC2=CC3=c4c(cccc4=CC3)[C@@H]2N1 238005771 572913442 /nfs/dbraw/zinc/91/34/42/572913442.db2.gz 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572914583 /nfs/dbraw/zinc/91/45/83/572914583.db2.gz LAYYDZIHSNKBHU-VHSXEESVSA-N 0 3 187.331 1.062 10 0 ADAEHN CC(C)C[C@H](CO)Nc1nccn1C 50606258 572915233 /nfs/dbraw/zinc/91/52/33/572915233.db2.gz OKZVICNUVHRPJW-SECBINFHSA-N 0 3 197.282 1.239 10 0 ADAEHN Cc1cc(N)c2c(c1)[C@@H](N)COC2 713775859 572915318 /nfs/dbraw/zinc/91/53/18/572915318.db2.gz SJPWWURXRBUAJZ-JTQLQIEISA-N 0 3 178.235 1.107 10 0 ADAEHN c1cc(-c2cnc3c(c2)CNC3)ccn1 238043413 572915357 /nfs/dbraw/zinc/91/53/57/572915357.db2.gz LYGMTECCXZWCLK-UHFFFAOYSA-N 0 3 197.241 1.747 10 0 ADAEHN C[C@H](Nc1nccn1C)[C@@H]1CCCO1 50605867 572915703 /nfs/dbraw/zinc/91/57/03/572915703.db2.gz OFMKQQVJVOCVKN-IUCAKERBSA-N 0 3 195.266 1.400 10 0 ADAEHN COCCCc1nc([C@@H](C)N)c[nH]1 308188762 572915843 /nfs/dbraw/zinc/91/58/43/572915843.db2.gz LVTYCGYZXYQALS-SSDOTTSWSA-N 0 3 183.255 1.008 10 0 ADAEHN CCn1ccnc1NCC(C)C 50608197 572915844 /nfs/dbraw/zinc/91/58/44/572915844.db2.gz GBWQFFBHWYTXEB-UHFFFAOYSA-N 0 3 167.256 1.971 10 0 ADAEHN Cc1n[nH]cc1CNc1nccn1C 50606055 572916074 /nfs/dbraw/zinc/91/60/74/572916074.db2.gz SFMOSKSIXVMAGV-UHFFFAOYSA-N 0 3 191.238 1.064 10 0 ADAEHN CCCC[C@@H](NC)c1nccn1C 86315214 572916178 /nfs/dbraw/zinc/91/61/78/572916178.db2.gz SPXZNVNRJMMAMI-SECBINFHSA-N 0 3 181.283 1.871 10 0 ADAEHN COCCCc1nc([C@H](C)N)c[nH]1 308188764 572916230 /nfs/dbraw/zinc/91/62/30/572916230.db2.gz LVTYCGYZXYQALS-ZETCQYMHSA-N 0 3 183.255 1.008 10 0 ADAEHN COc1ccc([C@]2(F)C[C@@H]2N)cc1 207448514 572916242 /nfs/dbraw/zinc/91/62/42/572916242.db2.gz IFVJHRWUMHINNO-VHSXEESVSA-N 0 3 181.210 1.591 10 0 ADAEHN CCCC[C@H](NC)c1ccnn1C 86315254 572916264 /nfs/dbraw/zinc/91/62/64/572916264.db2.gz LVSOYEFIBJTQHH-VIFPVBQESA-N 0 3 181.283 1.871 10 0 ADAEHN Cc1cc(N)c2c(c1)[C@H](N)COC2 713775863 572916278 /nfs/dbraw/zinc/91/62/78/572916278.db2.gz SJPWWURXRBUAJZ-SNVBAGLBSA-N 0 3 178.235 1.107 10 0 ADAEHN Nc1c(Cl)ccc2c1C(=O)C[C@@H]2N 713775816 572916366 /nfs/dbraw/zinc/91/63/66/572916366.db2.gz SBXGWXOTWHACJQ-LURJTMIESA-N 0 3 196.637 1.508 10 0 ADAEHN CCCC[C@@H](NC)c1ccnn1C 86315255 572916371 /nfs/dbraw/zinc/91/63/71/572916371.db2.gz LVSOYEFIBJTQHH-SECBINFHSA-N 0 3 181.283 1.871 10 0 ADAEHN Cn1ccnc1NCC[C@H]1CCCO1 50606161 572916379 /nfs/dbraw/zinc/91/63/79/572916379.db2.gz OIKDQOAPDFQFDZ-SECBINFHSA-N 0 3 195.266 1.401 10 0 ADAEHN Cn1ccnc1NCC[C@@H]1CCCO1 50606153 572916524 /nfs/dbraw/zinc/91/65/24/572916524.db2.gz OIKDQOAPDFQFDZ-VIFPVBQESA-N 0 3 195.266 1.401 10 0 ADAEHN N[C@@H]1COCc2ccc3c(c21)CCO3 713775823 572916540 /nfs/dbraw/zinc/91/65/40/572916540.db2.gz SCDSNJKXBNWURX-SECBINFHSA-N 0 3 191.230 1.152 10 0 ADAEHN C[C@@H](N)c1cncn1CCC(F)F 308188524 572916650 /nfs/dbraw/zinc/91/66/50/572916650.db2.gz LMCSFSDSQXOHBO-ZCFIWIBFSA-N 0 3 189.209 1.558 10 0 ADAEHN COC[C@@H](C)CNc1nccn1C 50606648 572916883 /nfs/dbraw/zinc/91/68/83/572916883.db2.gz QCCNPRZWJFYOTK-QMMMGPOBSA-N 0 3 183.255 1.115 10 0 ADAEHN c1cncc(-c2cnc3c(c2)CNC3)c1 238043287 572916983 /nfs/dbraw/zinc/91/69/83/572916983.db2.gz QUJMLVITEXDRKZ-UHFFFAOYSA-N 0 3 197.241 1.747 10 0 ADAEHN Cc1cc2c(c(F)c1F)COC[C@@H]2N 713775949 572917047 /nfs/dbraw/zinc/91/70/47/572917047.db2.gz UYRXLHZORQXVLW-QMMMGPOBSA-N 0 3 199.200 1.803 10 0 ADAEHN CCCC[C@H](NC)c1cncnc1 86315147 572917343 /nfs/dbraw/zinc/91/73/43/572917343.db2.gz OEYVRQPYHGCDME-JTQLQIEISA-N 0 3 179.267 1.927 10 0 ADAEHN CC(=N)Cc1ccccn1 72231164 572917352 /nfs/dbraw/zinc/91/73/52/572917352.db2.gz MIJHAOTWSWDWFW-UHFFFAOYSA-N 0 3 134.182 1.664 10 0 ADAEHN Cc1cc2c(c(F)c1F)COC[C@H]2N 713775948 572917390 /nfs/dbraw/zinc/91/73/90/572917390.db2.gz UYRXLHZORQXVLW-MRVPVSSYSA-N 0 3 199.200 1.803 10 0 ADAEHN CC(=N)c1ccncc1 72230779 572917497 /nfs/dbraw/zinc/91/74/97/572917497.db2.gz GEYUAZKGCLXRJJ-UHFFFAOYSA-N 0 3 120.155 1.469 10 0 ADAEHN CCC(=N)c1ccncc1 72231236 572917665 /nfs/dbraw/zinc/91/76/65/572917665.db2.gz RGKBTUZHZGFMRD-UHFFFAOYSA-N 0 3 134.182 1.859 10 0 ADAEHN Nc1c(Cl)ccc2c1C(=O)C[C@H]2N 713775818 572917770 /nfs/dbraw/zinc/91/77/70/572917770.db2.gz SBXGWXOTWHACJQ-ZCFIWIBFSA-N 0 3 196.637 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CCc1nc([C@H](O)CN)sc1C 76166556 572948398 /nfs/dbraw/zinc/94/83/98/572948398.db2.gz FMMAIAJPIIHMFK-SSDOTTSWSA-N 0 3 186.280 1.006 10 0 ADAEHN CCCN(CC)[C@@H](C)C(=O)NCC 308214826 572948411 /nfs/dbraw/zinc/94/84/11/572948411.db2.gz IOCKFNKLFQPHJQ-VIFPVBQESA-N 0 3 186.299 1.243 10 0 ADAEHN CC(=O)c1cc(F)cc([C@H](N)CO)c1 76136040 572948774 /nfs/dbraw/zinc/94/87/74/572948774.db2.gz DLFZCYXYGVZNOT-SNVBAGLBSA-N 0 3 197.209 1.020 10 0 ADAEHN CCCN[C@@H](COC)c1ccc[nH]1 308214724 572948795 /nfs/dbraw/zinc/94/87/95/572948795.db2.gz YWTIAWQFBCRIQS-JTQLQIEISA-N 0 3 182.267 1.702 10 0 ADAEHN CC(=O)c1ccc(F)c([C@H](N)CO)c1 76136036 572948860 /nfs/dbraw/zinc/94/88/60/572948860.db2.gz VVFKCJPVXJVSGC-SNVBAGLBSA-N 0 3 197.209 1.020 10 0 ADAEHN CC(=O)c1cc(F)cc([C@H](O)CN)c1 76166494 572948906 /nfs/dbraw/zinc/94/89/06/572948906.db2.gz JAFYRHKCAUNGIN-SNVBAGLBSA-N 0 3 197.209 1.020 10 0 ADAEHN CC(C)(F)CNCCN1CCCC1 308213072 572948925 /nfs/dbraw/zinc/94/89/25/572948925.db2.gz MIGXQHOQBXRUNE-UHFFFAOYSA-N 0 3 188.290 1.420 10 0 ADAEHN N[C@H]1CC(=O)c2c1ccc1c2OCO1 713792490 572948948 /nfs/dbraw/zinc/94/89/48/572948948.db2.gz BRXGBYXUIGGPEC-LURJTMIESA-N 0 3 191.186 1.002 10 0 ADAEHN CCN[C@H](C)c1cnnn1C1CC1 308213038 572949192 /nfs/dbraw/zinc/94/91/92/572949192.db2.gz MEZCSAKECHLHFV-SSDOTTSWSA-N 0 3 180.255 1.284 10 0 ADAEHN NCc1cnoc1Cc1cccs1 257684720 572949090 /nfs/dbraw/zinc/94/90/90/572949090.db2.gz ACBNZBQBNNGZPT-UHFFFAOYSA-N 0 3 194.259 1.786 10 0 ADAEHN CC(=O)c1cc(F)cc([C@@H](O)CN)c1 76166495 572949220 /nfs/dbraw/zinc/94/92/20/572949220.db2.gz JAFYRHKCAUNGIN-JTQLQIEISA-N 0 3 197.209 1.020 10 0 ADAEHN CCCN(CC)[C@H](C)C(=O)NCC 308214825 572949338 /nfs/dbraw/zinc/94/93/38/572949338.db2.gz IOCKFNKLFQPHJQ-SECBINFHSA-N 0 3 186.299 1.243 10 0 ADAEHN NC(=O)[C@H]1C[C@H](CCC2CC2)CCN1 236287109 572949429 /nfs/dbraw/zinc/94/94/29/572949429.db2.gz ZDQWDMVGJMWHRM-NXEZZACHSA-N 0 3 196.294 1.030 10 0 ADAEHN CCC(=O)O[C@H]1CCCN(CC)C1 308214980 572949524 /nfs/dbraw/zinc/94/95/24/572949524.db2.gz IRLOABALJGPACV-VIFPVBQESA-N 0 3 185.267 1.424 10 0 ADAEHN CCCCSc1ncncc1CN 308213767 572949532 /nfs/dbraw/zinc/94/95/32/572949532.db2.gz YCYLDNFQFNJEQX-UHFFFAOYSA-N 0 3 197.307 1.828 10 0 ADAEHN CC[C@@H](C)Cn1cc(C)c(CN)n1 308214421 572949622 /nfs/dbraw/zinc/94/96/22/572949622.db2.gz YRIUAQTXYZTYDJ-MRVPVSSYSA-N 0 3 181.283 1.696 10 0 ADAEHN CCC(=O)O[C@@H]1CCCN(CC)C1 308214979 572949883 /nfs/dbraw/zinc/94/98/83/572949883.db2.gz IRLOABALJGPACV-SECBINFHSA-N 0 3 185.267 1.424 10 0 ADAEHN CCCNc1ccc2c(c1)[C@H](N)CO2 713793143 572949949 /nfs/dbraw/zinc/94/99/49/572949949.db2.gz FPVXXIRXFKECRK-SNVBAGLBSA-N 0 3 192.262 1.901 10 0 ADAEHN Cc1ccc2c(c1C)[C@@H](N)CC2=O 713793537 572950198 /nfs/dbraw/zinc/95/01/98/572950198.db2.gz AMRZJQFORGOGCY-VIFPVBQESA-N 0 3 175.231 1.890 10 0 ADAEHN COCCN(C)CC[C@H]1CCCC1=O 86530260 572950227 /nfs/dbraw/zinc/95/02/27/572950227.db2.gz VRHFNNKMUSVKBN-SNVBAGLBSA-N 0 3 199.294 1.324 10 0 ADAEHN Cc1nc2ccc(N)c(C)n2c1C 58407886 572950487 /nfs/dbraw/zinc/95/04/87/572950487.db2.gz WDQWSLLIZZBYEC-UHFFFAOYSA-N 0 3 175.235 1.842 10 0 ADAEHN NC(=O)[C@H]1C[C@@H](CCC2CC2)CCN1 236286784 572950529 /nfs/dbraw/zinc/95/05/29/572950529.db2.gz ZDQWDMVGJMWHRM-VHSXEESVSA-N 0 3 196.294 1.030 10 0 ADAEHN Cc1c(O)ccc2c1C(=O)C[C@@H]2N 713794667 572950547 /nfs/dbraw/zinc/95/05/47/572950547.db2.gz LYKLLPVUOFKTBW-ZETCQYMHSA-N 0 3 177.203 1.287 10 0 ADAEHN CCC[C@H](N)c1csc(C(N)=O)c1 713794616 572950859 /nfs/dbraw/zinc/95/08/59/572950859.db2.gz LSDPBGOAPBEQDQ-ZETCQYMHSA-N 0 3 198.291 1.647 10 0 ADAEHN C[C@@H](O)CN(C)CC[C@@H]1CCCC1=O 86530494 572950876 /nfs/dbraw/zinc/95/08/76/572950876.db2.gz MIJFPNVLLYXSEY-ZJUUUORDSA-N 0 3 199.294 1.058 10 0 ADAEHN C[C@H](O)CN(C)CC[C@@H]1CCCC1=O 86530492 572950976 /nfs/dbraw/zinc/95/09/76/572950976.db2.gz MIJFPNVLLYXSEY-UWVGGRQHSA-N 0 3 199.294 1.058 10 0 ADAEHN Cc1c(O)ccc2c1C(=O)C[C@H]2N 713794665 572951236 /nfs/dbraw/zinc/95/12/36/572951236.db2.gz LYKLLPVUOFKTBW-SSDOTTSWSA-N 0 3 177.203 1.287 10 0 ADAEHN CCCNc1ccc2c(c1)[C@@H](N)CO2 713793142 572951278 /nfs/dbraw/zinc/95/12/78/572951278.db2.gz FPVXXIRXFKECRK-JTQLQIEISA-N 0 3 192.262 1.901 10 0 ADAEHN CCC[C@@H](N)c1csc(C(N)=O)c1 713794613 572951348 /nfs/dbraw/zinc/95/13/48/572951348.db2.gz LSDPBGOAPBEQDQ-SSDOTTSWSA-N 0 3 198.291 1.647 10 0 ADAEHN Cc1nc(C(C)(C)C)nc(NN)c1C 51153667 572951483 /nfs/dbraw/zinc/95/14/83/572951483.db2.gz PGZXHOPKYXEYLJ-UHFFFAOYSA-N 0 3 194.282 1.677 10 0 ADAEHN CCCc1cc(NN)nc(C2CC2)n1 51152641 572951767 /nfs/dbraw/zinc/95/17/67/572951767.db2.gz NYTHYLZASRDBMW-UHFFFAOYSA-N 0 3 192.266 1.592 10 0 ADAEHN CCc1c(C)nc(C2CC2)nc1NN 51152460 572951796 /nfs/dbraw/zinc/95/17/96/572951796.db2.gz DQYVNJVFLGUSOO-UHFFFAOYSA-N 0 3 192.266 1.510 10 0 ADAEHN CCc1nc2c(c(NN)n1)CCCC2 51153279 572951811 /nfs/dbraw/zinc/95/18/11/572951811.db2.gz DFSMLYQDQCDLIM-UHFFFAOYSA-N 0 3 192.266 1.203 10 0 ADAEHN CCC[C@H](C)C[S@](=O)CCN 88062494 572951840 /nfs/dbraw/zinc/95/18/40/572951840.db2.gz BOBWDOUPHNDRLI-KWQFWETISA-N 0 3 177.313 1.130 10 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10 0 ADAEHN C[C@@H](c1ccccc1)[S@](=O)CCN 88062579 572952507 /nfs/dbraw/zinc/95/25/07/572952507.db2.gz BETOBGUFAPIYIH-ZANVPECISA-N 0 3 197.303 1.455 10 0 ADAEHN NCC[S@](=O)CC1CCCCC1 88062673 572952695 /nfs/dbraw/zinc/95/26/95/572952695.db2.gz KSBIMKXNOOWDQT-GFCCVEGCSA-N 0 3 189.324 1.274 10 0 ADAEHN CCC(CC)(C(=O)COC)N(C)C 86522323 572953462 /nfs/dbraw/zinc/95/34/62/572953462.db2.gz RVVRECVBUSKFGQ-UHFFFAOYSA-N 0 3 187.283 1.322 10 0 ADAEHN CCOC[C@@H](N)c1ccncc1 86524157 572953527 /nfs/dbraw/zinc/95/35/27/572953527.db2.gz YDELETQTLQCKCA-SECBINFHSA-N 0 3 166.224 1.118 10 0 ADAEHN CN[C@H](COC(C)C)CC(F)(F)F 86524432 572953533 /nfs/dbraw/zinc/95/35/33/572953533.db2.gz XLRSQOCZQSHHGC-ZETCQYMHSA-N 0 3 199.216 1.952 10 0 ADAEHN C[C@H](c1ccccc1)[S@](=O)CCN 88062580 572953047 /nfs/dbraw/zinc/95/30/47/572953047.db2.gz BETOBGUFAPIYIH-RNCFNFMXSA-N 0 3 197.303 1.455 10 0 ADAEHN CN[C@@H](COC)COc1ccccc1 86524704 572953061 /nfs/dbraw/zinc/95/30/61/572953061.db2.gz TUFQJTSLZYACBD-JTQLQIEISA-N 0 3 195.262 1.300 10 0 ADAEHN C[C@H](c1ccccc1)[S@@](=O)CCN 88062578 572953069 /nfs/dbraw/zinc/95/30/69/572953069.db2.gz BETOBGUFAPIYIH-NOZJJQNGSA-N 0 3 197.303 1.455 10 0 ADAEHN CCOC[C@H](N)COc1ccccc1 86524700 572953080 /nfs/dbraw/zinc/95/30/80/572953080.db2.gz HKXNUISRZFWJFF-JTQLQIEISA-N 0 3 195.262 1.429 10 0 ADAEHN CCOC[C@H](NC)c1ccncc1 86524256 572953086 /nfs/dbraw/zinc/95/30/86/572953086.db2.gz MECZNXQQSWLEHO-JTQLQIEISA-N 0 3 180.251 1.379 10 0 ADAEHN CCC[C@@H](C)C[S@](=O)CCN 88062493 572953099 /nfs/dbraw/zinc/95/30/99/572953099.db2.gz BOBWDOUPHNDRLI-KCJUWKMLSA-N 0 3 177.313 1.130 10 0 ADAEHN CC[C@@](C)(C(=O)COC)N1CCCC1 86522290 572953129 /nfs/dbraw/zinc/95/31/29/572953129.db2.gz HJWVKBFDLBPUIV-NSHDSACASA-N 0 3 199.294 1.466 10 0 ADAEHN CN[C@H](COC)c1ncccc1C 86524574 572953149 /nfs/dbraw/zinc/95/31/49/572953149.db2.gz SUJZHCKMRJAMTC-SECBINFHSA-N 0 3 180.251 1.297 10 0 ADAEHN CCOC[C@@H](CC(F)(F)F)NC 86524433 572953266 /nfs/dbraw/zinc/95/32/66/572953266.db2.gz XOSIKBWSGXYYDV-ZCFIWIBFSA-N 0 3 185.189 1.563 10 0 ADAEHN CN[C@H](COC(C)C)c1ccncc1 86524255 572953155 /nfs/dbraw/zinc/95/31/55/572953155.db2.gz HFSDVABJVQHVNL-LLVKDONJSA-N 0 3 194.278 1.767 10 0 ADAEHN NCC[S@@](=O)CC1CCCCC1 88062674 572953181 /nfs/dbraw/zinc/95/31/81/572953181.db2.gz KSBIMKXNOOWDQT-LBPRGKRZSA-N 0 3 189.324 1.274 10 0 ADAEHN CCOC[C@@H](NC)c1ccncc1 86524257 572953194 /nfs/dbraw/zinc/95/31/94/572953194.db2.gz MECZNXQQSWLEHO-SNVBAGLBSA-N 0 3 180.251 1.379 10 0 ADAEHN CN[C@@H](COC(C)C)c1ccncc1 86524254 572953226 /nfs/dbraw/zinc/95/32/26/572953226.db2.gz HFSDVABJVQHVNL-NSHDSACASA-N 0 3 194.278 1.767 10 0 ADAEHN CCN[C@H](COC)c1ncccc1C 86524583 572953239 /nfs/dbraw/zinc/95/32/39/572953239.db2.gz LBGBQYQYRWMJPW-SNVBAGLBSA-N 0 3 194.278 1.687 10 0 ADAEHN CCN[C@@H](COCC)c1ccncc1 86524264 572953331 /nfs/dbraw/zinc/95/33/31/572953331.db2.gz ZYTCAXGNFZOOFA-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CCOCC(=O)C1(N(C)C)CCCC1 86522340 572953289 /nfs/dbraw/zinc/95/32/89/572953289.db2.gz MJDZGACDBMVTBD-UHFFFAOYSA-N 0 3 199.294 1.466 10 0 ADAEHN CCN[C@H](COCC)c1ccncc1 86524265 572953373 /nfs/dbraw/zinc/95/33/73/572953373.db2.gz ZYTCAXGNFZOOFA-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN CC(C)OC[C@H](N)c1cccnc1 86524152 572953388 /nfs/dbraw/zinc/95/33/88/572953388.db2.gz DQACUJOXDLEEFF-JTQLQIEISA-N 0 3 180.251 1.506 10 0 ADAEHN COCC(=O)C(C)(C)N1CCCCC1 86522239 572953512 /nfs/dbraw/zinc/95/35/12/572953512.db2.gz NFTZKHLRRHMDAN-UHFFFAOYSA-N 0 3 199.294 1.466 10 0 ADAEHN CCN[C@H](COC)c1ccncc1 86524261 572953598 /nfs/dbraw/zinc/95/35/98/572953598.db2.gz XYLMOTXNAKNLGG-SNVBAGLBSA-N 0 3 180.251 1.379 10 0 ADAEHN COC[C@@H](N)COc1ccccc1 86524697 572953648 /nfs/dbraw/zinc/95/36/48/572953648.db2.gz MRBGPRMOIUHQOJ-SECBINFHSA-N 0 3 181.235 1.039 10 0 ADAEHN CCN[C@H](COC)c1ccccn1 86524233 572953658 /nfs/dbraw/zinc/95/36/58/572953658.db2.gz ZUAIDMTYRQBBDG-SNVBAGLBSA-N 0 3 180.251 1.379 10 0 ADAEHN CN[C@@H](COC(C)C)c1cccnc1 86524248 572953673 /nfs/dbraw/zinc/95/36/73/572953673.db2.gz WBQJSMIXYGVYKQ-NSHDSACASA-N 0 3 194.278 1.767 10 0 ADAEHN CCCOC[C@@H](NC)c1ccncc1 86524259 572953740 /nfs/dbraw/zinc/95/37/40/572953740.db2.gz MTIOHOJGKJEFRO-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN CC(C)OC[C@@H](N)c1ccncc1 86524155 572953750 /nfs/dbraw/zinc/95/37/50/572953750.db2.gz BIDWGOPYJSQXLL-SNVBAGLBSA-N 0 3 180.251 1.506 10 0 ADAEHN CCOCC(=O)[C@@](C)(CC)N(C)C 86522269 572953808 /nfs/dbraw/zinc/95/38/08/572953808.db2.gz GDQKAPSQJQOCSW-SNVBAGLBSA-N 0 3 187.283 1.322 10 0 ADAEHN CCOCC(=O)[C@](C)(CC)N(C)C 86522268 572953819 /nfs/dbraw/zinc/95/38/19/572953819.db2.gz GDQKAPSQJQOCSW-JTQLQIEISA-N 0 3 187.283 1.322 10 0 ADAEHN CCOC[C@@H](N)COc1ccccc1 86524701 572953852 /nfs/dbraw/zinc/95/38/52/572953852.db2.gz HKXNUISRZFWJFF-SNVBAGLBSA-N 0 3 195.262 1.429 10 0 ADAEHN CCN(CC)C(C)(C)C(=O)COC 86522222 572953917 /nfs/dbraw/zinc/95/39/17/572953917.db2.gz UYCVURYQKINVMR-UHFFFAOYSA-N 0 3 187.283 1.322 10 0 ADAEHN CCCN[C@H](COC)c1ccccn1 86524241 572953879 /nfs/dbraw/zinc/95/38/79/572953879.db2.gz JFRMVSFUKRVFFS-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN CCCOC[C@@H](CC(F)(F)F)NC 86524435 572954567 /nfs/dbraw/zinc/95/45/67/572954567.db2.gz INHWPPHUYMWJBW-SSDOTTSWSA-N 0 3 199.216 1.953 10 0 ADAEHN CN[C@@H](COC)c1ncccc1C 86524575 572953981 /nfs/dbraw/zinc/95/39/81/572953981.db2.gz SUJZHCKMRJAMTC-VIFPVBQESA-N 0 3 180.251 1.297 10 0 ADAEHN CC(C)OC[C@@H](N)c1cccnc1 86524153 572953993 /nfs/dbraw/zinc/95/39/93/572953993.db2.gz DQACUJOXDLEEFF-SNVBAGLBSA-N 0 3 180.251 1.506 10 0 ADAEHN CN[C@H](COC(C)C)c1ccccn1 86524227 572954059 /nfs/dbraw/zinc/95/40/59/572954059.db2.gz NMMXFOCPKHPTAJ-LLVKDONJSA-N 0 3 194.278 1.767 10 0 ADAEHN CCN[C@@H](COC)c1ncccc1C 86524582 572954067 /nfs/dbraw/zinc/95/40/67/572954067.db2.gz LBGBQYQYRWMJPW-JTQLQIEISA-N 0 3 194.278 1.687 10 0 ADAEHN CCCOC[C@@H](NC)c1ccccn1 86524231 572954091 /nfs/dbraw/zinc/95/40/91/572954091.db2.gz FDLCYPUDHMJANO-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN COCC(=O)C1(N(C)C)CCCC1 86522338 572954098 /nfs/dbraw/zinc/95/40/98/572954098.db2.gz TYHNYSVRXLSENK-UHFFFAOYSA-N 0 3 185.267 1.076 10 0 ADAEHN CCN[C@H](COCC)CC(F)(F)F 86524441 572954133 /nfs/dbraw/zinc/95/41/33/572954133.db2.gz DCDIVTRFVWYCLB-ZETCQYMHSA-N 0 3 199.216 1.953 10 0 ADAEHN CCOC[C@H](NC)c1ccccn1 86524228 572954161 /nfs/dbraw/zinc/95/41/61/572954161.db2.gz OLNSVIOABUTKAK-JTQLQIEISA-N 0 3 180.251 1.379 10 0 ADAEHN CCN[C@@H](COC)CC(F)(F)F 86524438 572954176 /nfs/dbraw/zinc/95/41/76/572954176.db2.gz XNVUNGGUFYYTIL-ZCFIWIBFSA-N 0 3 185.189 1.563 10 0 ADAEHN CCN[C@@H](COC)c1ccccn1 86524232 572954180 /nfs/dbraw/zinc/95/41/80/572954180.db2.gz ZUAIDMTYRQBBDG-JTQLQIEISA-N 0 3 180.251 1.379 10 0 ADAEHN CCOC[C@H](N)c1ccncc1 86524156 572954187 /nfs/dbraw/zinc/95/41/87/572954187.db2.gz YDELETQTLQCKCA-VIFPVBQESA-N 0 3 166.224 1.118 10 0 ADAEHN CCCOC[C@H](NC)c1ccncc1 86524258 572954223 /nfs/dbraw/zinc/95/42/23/572954223.db2.gz MTIOHOJGKJEFRO-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CCN[C@@H](COCC)c1ccccn1 86524236 572954239 /nfs/dbraw/zinc/95/42/39/572954239.db2.gz LTSWKYXRELIDBG-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CCOC[C@@H](NC)c1ccccn1 86524229 572954256 /nfs/dbraw/zinc/95/42/56/572954256.db2.gz OLNSVIOABUTKAK-SNVBAGLBSA-N 0 3 180.251 1.379 10 0 ADAEHN CCCOC[C@H](N)c1ccncc1 86524158 572954302 /nfs/dbraw/zinc/95/43/02/572954302.db2.gz ODOMEAMBVUHFDV-JTQLQIEISA-N 0 3 180.251 1.508 10 0 ADAEHN CCOCC(=O)C(C)(C)N1CCCC1 86522234 572954314 /nfs/dbraw/zinc/95/43/14/572954314.db2.gz CRTPQKPQBGOXLY-UHFFFAOYSA-N 0 3 199.294 1.466 10 0 ADAEHN CCCOC[C@H](CC(F)(F)F)NC 86524436 572954320 /nfs/dbraw/zinc/95/43/20/572954320.db2.gz INHWPPHUYMWJBW-ZETCQYMHSA-N 0 3 199.216 1.953 10 0 ADAEHN CN[C@H](COC(C)C)c1cccnc1 86524249 572954326 /nfs/dbraw/zinc/95/43/26/572954326.db2.gz WBQJSMIXYGVYKQ-LLVKDONJSA-N 0 3 194.278 1.767 10 0 ADAEHN CCN[C@H](COCC)c1ccccn1 86524237 572954353 /nfs/dbraw/zinc/95/43/53/572954353.db2.gz LTSWKYXRELIDBG-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN CCN[C@@H](COC)c1cc(C)ccn1 86524970 572955367 /nfs/dbraw/zinc/95/53/67/572955367.db2.gz GXMLHWMWPWAXSF-NSHDSACASA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@H](COC)COc1ccccc1 86524705 572954382 /nfs/dbraw/zinc/95/43/82/572954382.db2.gz TUFQJTSLZYACBD-SNVBAGLBSA-N 0 3 195.262 1.300 10 0 ADAEHN CCN[C@@H](COCC)CC(F)(F)F 86524442 572954473 /nfs/dbraw/zinc/95/44/73/572954473.db2.gz DCDIVTRFVWYCLB-SSDOTTSWSA-N 0 3 199.216 1.953 10 0 ADAEHN CC(C)OC[C@H](N)c1ccncc1 86524154 572954481 /nfs/dbraw/zinc/95/44/81/572954481.db2.gz BIDWGOPYJSQXLL-JTQLQIEISA-N 0 3 180.251 1.506 10 0 ADAEHN CCCN[C@H](COC)c1ccncc1 86524269 572954485 /nfs/dbraw/zinc/95/44/85/572954485.db2.gz NNPONCKXNRNXEP-LLVKDONJSA-N 0 3 194.278 1.769 10 0 ADAEHN CCCN[C@@H](COC)c1ccncc1 86524268 572954500 /nfs/dbraw/zinc/95/45/00/572954500.db2.gz NNPONCKXNRNXEP-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CCCOC[C@@H](N)c1ccncc1 86524159 572954552 /nfs/dbraw/zinc/95/45/52/572954552.db2.gz ODOMEAMBVUHFDV-SNVBAGLBSA-N 0 3 180.251 1.508 10 0 ADAEHN CCN[C@H](COC)CC(F)(F)F 86524437 572954582 /nfs/dbraw/zinc/95/45/82/572954582.db2.gz XNVUNGGUFYYTIL-LURJTMIESA-N 0 3 185.189 1.563 10 0 ADAEHN CCCN[C@@H](COC)c1ccccn1 86524240 572954590 /nfs/dbraw/zinc/95/45/90/572954590.db2.gz JFRMVSFUKRVFFS-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN CN[C@@H](COC(C)C)c1ccccn1 86524226 572954608 /nfs/dbraw/zinc/95/46/08/572954608.db2.gz NMMXFOCPKHPTAJ-NSHDSACASA-N 0 3 194.278 1.767 10 0 ADAEHN CCOC[C@H](CC(F)(F)F)NC 86524434 572954612 /nfs/dbraw/zinc/95/46/12/572954612.db2.gz XOSIKBWSGXYYDV-LURJTMIESA-N 0 3 185.189 1.563 10 0 ADAEHN CCOC[C@H](NC)c1ncccc1C 86524578 572954639 /nfs/dbraw/zinc/95/46/39/572954639.db2.gz XWQMKRAZYVSHFX-JTQLQIEISA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@@H](COC(C)C)CC(F)(F)F 86524431 572954657 /nfs/dbraw/zinc/95/46/57/572954657.db2.gz XLRSQOCZQSHHGC-SSDOTTSWSA-N 0 3 199.216 1.952 10 0 ADAEHN COCC(=O)C(C)(C)N1CCCC1 86522230 572954684 /nfs/dbraw/zinc/95/46/84/572954684.db2.gz YCFIQSYKICUVLC-UHFFFAOYSA-N 0 3 185.267 1.076 10 0 ADAEHN CCCOC[C@H](NC)c1ccccn1 86524230 572954697 /nfs/dbraw/zinc/95/46/97/572954697.db2.gz FDLCYPUDHMJANO-NSHDSACASA-N 0 3 194.278 1.769 10 0 ADAEHN COC[C@H](N)COc1ccccc1 86524696 572954726 /nfs/dbraw/zinc/95/47/26/572954726.db2.gz MRBGPRMOIUHQOJ-VIFPVBQESA-N 0 3 181.235 1.039 10 0 ADAEHN CC(C)C[C@@H](O)SCCN(C)C 238151596 572954873 /nfs/dbraw/zinc/95/48/73/572954873.db2.gz QAPCCNILMKSNSP-VIFPVBQESA-N 0 3 191.340 1.646 10 0 ADAEHN CCN(CC)Cc1[nH]cnc1C 169116683 572955142 /nfs/dbraw/zinc/95/51/42/572955142.db2.gz LWSSDRQWKVSLAH-UHFFFAOYSA-N 0 3 167.256 1.560 10 0 ADAEHN CCOC[C@H](NC)c1cccc(C)n1 86524924 572955120 /nfs/dbraw/zinc/95/51/20/572955120.db2.gz LHBRUMNWCTUMDK-NSHDSACASA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@@H](COC(C)C)c1ccoc1 86525056 572955158 /nfs/dbraw/zinc/95/51/58/572955158.db2.gz IXBHFRGPONHTDI-JTQLQIEISA-N 0 3 183.251 1.965 10 0 ADAEHN CCOC[C@H](NC)c1cc(C)ccn1 86524966 572955196 /nfs/dbraw/zinc/95/51/96/572955196.db2.gz SYVUNRNIWHXRGK-NSHDSACASA-N 0 3 194.278 1.687 10 0 ADAEHN CCOC[C@@H](NC)c1cc(C)ccn1 86524967 572955318 /nfs/dbraw/zinc/95/53/18/572955318.db2.gz SYVUNRNIWHXRGK-LLVKDONJSA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@@H](COC)c1cc(C)ccn1 86524963 572955439 /nfs/dbraw/zinc/95/54/39/572955439.db2.gz KZRDWYNFXQIIEQ-JTQLQIEISA-N 0 3 180.251 1.297 10 0 ADAEHN CC(C)OC[C@H](N)c1ccoc1 86525054 572955509 /nfs/dbraw/zinc/95/55/09/572955509.db2.gz LOMHCWYGBUZGKD-VIFPVBQESA-N 0 3 169.224 1.704 10 0 ADAEHN CN[C@H](COC)c1cc(C)ccn1 86524962 572955882 /nfs/dbraw/zinc/95/58/82/572955882.db2.gz KZRDWYNFXQIIEQ-SNVBAGLBSA-N 0 3 180.251 1.297 10 0 ADAEHN CN[C@H](COC(C)C)c1ccoc1 86525057 572955914 /nfs/dbraw/zinc/95/59/14/572955914.db2.gz IXBHFRGPONHTDI-SNVBAGLBSA-N 0 3 183.251 1.965 10 0 ADAEHN CO[C@@H](c1ncc(CN)cn1)C(C)C 158663345 572955931 /nfs/dbraw/zinc/95/59/31/572955931.db2.gz JCLZCKYKKAEWST-SECBINFHSA-N 0 3 195.266 1.279 10 0 ADAEHN CCOC[C@@H](NC)c1cccc(C)n1 86524925 572955953 /nfs/dbraw/zinc/95/59/53/572955953.db2.gz LHBRUMNWCTUMDK-LLVKDONJSA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@H](COC)c1cccc(C)n1 86524920 572955961 /nfs/dbraw/zinc/95/59/61/572955961.db2.gz BIHOFMGCQLFLLC-SNVBAGLBSA-N 0 3 180.251 1.297 10 0 ADAEHN CCN[C@@H](COC)c1cccc(C)n1 86524928 572956033 /nfs/dbraw/zinc/95/60/33/572956033.db2.gz QJAIVDWYJZLQDC-NSHDSACASA-N 0 3 194.278 1.687 10 0 ADAEHN CCN[C@H](COC)c1cccc(C)n1 86524929 572956084 /nfs/dbraw/zinc/95/60/84/572956084.db2.gz QJAIVDWYJZLQDC-LLVKDONJSA-N 0 3 194.278 1.687 10 0 ADAEHN CN[C@@H](COC)c1cccc(C)n1 86524921 572956157 /nfs/dbraw/zinc/95/61/57/572956157.db2.gz BIHOFMGCQLFLLC-JTQLQIEISA-N 0 3 180.251 1.297 10 0 ADAEHN CC(C)OC[C@@H](N)c1ccoc1 86525055 572956353 /nfs/dbraw/zinc/95/63/53/572956353.db2.gz LOMHCWYGBUZGKD-SECBINFHSA-N 0 3 169.224 1.704 10 0 ADAEHN CCN[C@H](COC)c1cc(C)ccn1 86524971 572956640 /nfs/dbraw/zinc/95/66/40/572956640.db2.gz GXMLHWMWPWAXSF-LLVKDONJSA-N 0 3 194.278 1.687 10 0 ADAEHN CCN[C@H](c1ccn(C)n1)[C@H]1C[C@H]1C 299997944 572956587 /nfs/dbraw/zinc/95/65/87/572956587.db2.gz XDQOSXXYLOHPMG-YWVKMMECSA-N 0 3 193.294 1.727 10 0 ADAEHN CCN[C@H](c1ccn(C)n1)[C@@H]1C[C@H]1C 299997942 572956614 /nfs/dbraw/zinc/95/66/14/572956614.db2.gz XDQOSXXYLOHPMG-KKZNHRDASA-N 0 3 193.294 1.727 10 0 ADAEHN COc1cccc([C@H](N)[C@H](C)OC)c1 86576630 572958286 /nfs/dbraw/zinc/95/82/86/572958286.db2.gz COJQENSRPULZLC-GZMMTYOYSA-N 0 3 195.262 1.730 10 0 ADAEHN COc1ccccc1[C@H](N)[C@@H](C)OC 86575804 572958292 /nfs/dbraw/zinc/95/82/92/572958292.db2.gz PMTUGNORSKRBKB-LDYMZIIASA-N 0 3 195.262 1.730 10 0 ADAEHN CCCn1cc([C@@H](N)[C@H](C)OC)cn1 86576872 572958294 /nfs/dbraw/zinc/95/82/94/572958294.db2.gz CXCLGVVFGYWIOI-WPRPVWTQSA-N 0 3 197.282 1.328 10 0 ADAEHN CCCn1nccc1[C@@H](N)[C@H](C)OC 86576186 572958296 /nfs/dbraw/zinc/95/82/96/572958296.db2.gz GRQPXERABQXTDR-WPRPVWTQSA-N 0 3 197.282 1.328 10 0 ADAEHN CN[C@H](c1cccnc1)[C@@H](C)OC 86577084 572958314 /nfs/dbraw/zinc/95/83/14/572958314.db2.gz WZILYEDMTPHNRU-SCZZXKLOSA-N 0 3 180.251 1.377 10 0 ADAEHN CC(C)CCOC1=NCCCN1 238163144 572958363 /nfs/dbraw/zinc/95/83/63/572958363.db2.gz HLYKHLUMUBLWRR-UHFFFAOYSA-N 0 3 170.256 1.398 10 0 ADAEHN C/C(=C(/F)[C@H](N)C(C)C)[C@H](C)CO 238158825 572958417 /nfs/dbraw/zinc/95/84/17/572958417.db2.gz QQISZNGGCMBLBX-ZVHJRKCUSA-N 0 3 189.274 1.842 10 0 ADAEHN CCCn1cc([C@H](N)[C@@H](C)OC)cn1 86576868 572958428 /nfs/dbraw/zinc/95/84/28/572958428.db2.gz CXCLGVVFGYWIOI-PSASIEDQSA-N 0 3 197.282 1.328 10 0 ADAEHN COc1cccc([C@@H](N)[C@@H](C)OC)c1 86576628 572958439 /nfs/dbraw/zinc/95/84/39/572958439.db2.gz COJQENSRPULZLC-KCJUWKMLSA-N 0 3 195.262 1.730 10 0 ADAEHN CN[C@@H](c1cccnc1)[C@H](C)OC 86577087 572958444 /nfs/dbraw/zinc/95/84/44/572958444.db2.gz WZILYEDMTPHNRU-WCBMZHEXSA-N 0 3 180.251 1.377 10 0 ADAEHN C/C(=C(/F)[C@H](N)C(C)C)[C@@H](C)CO 238158802 572958549 /nfs/dbraw/zinc/95/85/49/572958549.db2.gz QQISZNGGCMBLBX-KNHCDMFHSA-N 0 3 189.274 1.842 10 0 ADAEHN COc1cccc([C@H](N)[C@@H](C)OC)c1 86576634 572958780 /nfs/dbraw/zinc/95/87/80/572958780.db2.gz COJQENSRPULZLC-LDYMZIIASA-N 0 3 195.262 1.730 10 0 ADAEHN COc1cccc([C@@H](N)[C@H](C)OC)c1 86576626 572958801 /nfs/dbraw/zinc/95/88/01/572958801.db2.gz COJQENSRPULZLC-KWQFWETISA-N 0 3 195.262 1.730 10 0 ADAEHN CCCn1nccc1[C@@H](N)[C@@H](C)OC 86576183 572958815 /nfs/dbraw/zinc/95/88/15/572958815.db2.gz GRQPXERABQXTDR-SCZZXKLOSA-N 0 3 197.282 1.328 10 0 ADAEHN CN[C@@H](c1cccnc1)[C@@H](C)OC 86577089 572958926 /nfs/dbraw/zinc/95/89/26/572958926.db2.gz WZILYEDMTPHNRU-PSASIEDQSA-N 0 3 180.251 1.377 10 0 ADAEHN CCCn1nccc1[C@H](N)[C@H](C)OC 86576184 572958977 /nfs/dbraw/zinc/95/89/77/572958977.db2.gz GRQPXERABQXTDR-WCBMZHEXSA-N 0 3 197.282 1.328 10 0 ADAEHN CCn1c([C@H](N)CO)cc2occc21 713798160 572959003 /nfs/dbraw/zinc/95/90/03/572959003.db2.gz CGLUNKMCWINGSQ-SSDOTTSWSA-N 0 3 194.234 1.246 10 0 ADAEHN COc1ccccc1[C@H](N)[C@H](C)OC 86575803 572959084 /nfs/dbraw/zinc/95/90/84/572959084.db2.gz PMTUGNORSKRBKB-GZMMTYOYSA-N 0 3 195.262 1.730 10 0 ADAEHN CCCn1nccc1[C@H](N)[C@@H](C)OC 86576181 572959167 /nfs/dbraw/zinc/95/91/67/572959167.db2.gz 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1.419 10 0 ADAEHN CCN(CC)C(=O)C(N)(CC)CC 86812352 572983849 /nfs/dbraw/zinc/98/38/49/572983849.db2.gz STSAZGXKXLOAMZ-UHFFFAOYSA-N 0 3 186.299 1.372 10 0 ADAEHN CCCCNC(=O)C(N)(CC)CC 86812470 572983891 /nfs/dbraw/zinc/98/38/91/572983891.db2.gz FKEPHRLZIOFEDG-UHFFFAOYSA-N 0 3 186.299 1.420 10 0 ADAEHN CCn1cnnc1C(N)(CC)CC 86812218 572983923 /nfs/dbraw/zinc/98/39/23/572983923.db2.gz QNIWUDMOGQRACR-UHFFFAOYSA-N 0 3 182.271 1.272 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@@H]1C[C@H]1C 86813735 572983915 /nfs/dbraw/zinc/98/39/15/572983915.db2.gz NWTIFTCBHJZPPR-HTQZYQBOSA-N 0 3 184.283 1.029 10 0 ADAEHN CCC(N)(CC)C(=O)NCC1CCC1 86812775 572983979 /nfs/dbraw/zinc/98/39/79/572983979.db2.gz DLXJBOZLQYMINA-UHFFFAOYSA-N 0 3 198.310 1.420 10 0 ADAEHN OC[C@H]1CCN(C/C=C/Cl)C1 51887733 572984028 /nfs/dbraw/zinc/98/40/28/572984028.db2.gz GHQXPOXXEQDRHG-LKVYWMSASA-N 0 3 175.659 1.053 10 0 ADAEHN C=CC=CCC[C@@H](NC)c1cn[nH]n1 713670035 572984037 /nfs/dbraw/zinc/98/40/37/572984037.db2.gz OALLBWHXZNFCEB-XNPJLODASA-N 0 3 192.266 1.588 10 0 ADAEHN CCC(N)(CC)C(=O)N1CCCC1 86812329 572984088 /nfs/dbraw/zinc/98/40/88/572984088.db2.gz YCWAEWRXBBBKHZ-UHFFFAOYSA-N 0 3 184.283 1.126 10 0 ADAEHN CCC(N)(CC)C(=O)N(C)C(C)C 86812494 572984128 /nfs/dbraw/zinc/98/41/28/572984128.db2.gz QYAFRYFWAOTSFJ-UHFFFAOYSA-N 0 3 186.299 1.371 10 0 ADAEHN CCC(N)(CC)C(=O)NC(C)(C)C 86812357 572984155 /nfs/dbraw/zinc/98/41/55/572984155.db2.gz INTAWDOMDGWCKQ-UHFFFAOYSA-N 0 3 186.299 1.419 10 0 ADAEHN CCC(N)(CC)C(=O)NCCC1CC1 86814129 572984169 /nfs/dbraw/zinc/98/41/69/572984169.db2.gz VEJHEIFAESZMTF-UHFFFAOYSA-N 0 3 198.310 1.420 10 0 ADAEHN CCC(N)(CC)C(=O)NC(C)C 86812364 572984181 /nfs/dbraw/zinc/98/41/81/572984181.db2.gz VECUGUVSHRTMEX-UHFFFAOYSA-N 0 3 172.272 1.029 10 0 ADAEHN C[C@H]1CCN(c2ccncc2)C[C@H]1O 299915974 572984187 /nfs/dbraw/zinc/98/41/87/572984187.db2.gz RQQYMUMFZISLIC-GXSJLCMTSA-N 0 3 192.262 1.289 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@H]1C[C@@H]1C 86813732 572984223 /nfs/dbraw/zinc/98/42/23/572984223.db2.gz NWTIFTCBHJZPPR-YUMQZZPRSA-N 0 3 184.283 1.029 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@H]1CC1(C)C 86813627 572984235 /nfs/dbraw/zinc/98/42/35/572984235.db2.gz FHNFJICCFPYWKD-QMMMGPOBSA-N 0 3 198.310 1.419 10 0 ADAEHN CCCCCNc1ccc(N)c(N)n1 86829613 572984246 /nfs/dbraw/zinc/98/42/46/572984246.db2.gz AFVGMPJSMVPHFM-UHFFFAOYSA-N 0 3 194.282 1.848 10 0 ADAEHN CCC(N)(CC)c1nnc(C(C)C)[nH]1 86812188 572984316 /nfs/dbraw/zinc/98/43/16/572984316.db2.gz AVDCXCVQTGUOAH-UHFFFAOYSA-N 0 3 196.298 1.902 10 0 ADAEHN CC[C@@H](C)NC(=O)C(N)(CC)CC 86812376 572984358 /nfs/dbraw/zinc/98/43/58/572984358.db2.gz HZADECNOGOJTNX-MRVPVSSYSA-N 0 3 186.299 1.419 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@H](C)C1CC1 86812878 572984374 /nfs/dbraw/zinc/98/43/74/572984374.db2.gz DXJSTRGRYUJNNY-MRVPVSSYSA-N 0 3 198.310 1.419 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@@H]1CC1(C)C 86813623 572984398 /nfs/dbraw/zinc/98/43/98/572984398.db2.gz FHNFJICCFPYWKD-MRVPVSSYSA-N 0 3 198.310 1.419 10 0 ADAEHN C=CC=CCC[C@H](NC)c1cn[nH]n1 713670033 572984412 /nfs/dbraw/zinc/98/44/12/572984412.db2.gz OALLBWHXZNFCEB-WBSSQXGSSA-N 0 3 192.266 1.588 10 0 ADAEHN CCCN(CC)c1ccc(N)c(N)n1 86829666 572984448 /nfs/dbraw/zinc/98/44/48/572984448.db2.gz YEQCFKSOWRRRRG-UHFFFAOYSA-N 0 3 194.282 1.482 10 0 ADAEHN CCC(N)(CC)C(=O)NCC1CC1 86812437 572984479 /nfs/dbraw/zinc/98/44/79/572984479.db2.gz VCOLBGOYLFHYNY-UHFFFAOYSA-N 0 3 184.283 1.030 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@@H]1C[C@@H]1C 86813730 572984483 /nfs/dbraw/zinc/98/44/83/572984483.db2.gz NWTIFTCBHJZPPR-JGVFFNPUSA-N 0 3 184.283 1.029 10 0 ADAEHN C=CC=CCC[C@@H](NC)c1cn[nH]n1 713670036 572984512 /nfs/dbraw/zinc/98/45/12/572984512.db2.gz OALLBWHXZNFCEB-XRVBUDJMSA-N 0 3 192.266 1.588 10 0 ADAEHN CCC(N)(CC)c1nncn1C1CC1 86812227 572984580 /nfs/dbraw/zinc/98/45/80/572984580.db2.gz NDFJWZQUCLIPLC-UHFFFAOYSA-N 0 3 194.282 1.587 10 0 ADAEHN CCc1nnc(C(N)(CC)CC)[nH]1 86812181 572984587 /nfs/dbraw/zinc/98/45/87/572984587.db2.gz IDYGMNSBPACVGK-UHFFFAOYSA-N 0 3 182.271 1.341 10 0 ADAEHN CCC(N)(CC)C(=O)N1CCC[C@@H]1C 86813219 572984596 /nfs/dbraw/zinc/98/45/96/572984596.db2.gz CSEBSNZCTWAULC-VIFPVBQESA-N 0 3 198.310 1.515 10 0 ADAEHN CCC(N)(CC)C(=O)N1CC[C@H](C)C1 86813393 572984603 /nfs/dbraw/zinc/98/46/03/572984603.db2.gz HFAWJZTUZAOLNJ-VIFPVBQESA-N 0 3 198.310 1.372 10 0 ADAEHN CCC(N)(CC)C(=O)Nn1cccc1 86814195 572984609 /nfs/dbraw/zinc/98/46/09/572984609.db2.gz WTJZZIAEUNGGAT-UHFFFAOYSA-N 0 3 195.266 1.076 10 0 ADAEHN CCC(N)(CC)c1nncn1C(C)C 86812224 572984623 /nfs/dbraw/zinc/98/46/23/572984623.db2.gz SZXRQRKKTMUODL-UHFFFAOYSA-N 0 3 196.298 1.833 10 0 ADAEHN OC[C@@H]1CCN(C/C=C/Cl)C1 51887732 572984632 /nfs/dbraw/zinc/98/46/32/572984632.db2.gz GHQXPOXXEQDRHG-YUQHSTNDSA-N 0 3 175.659 1.053 10 0 ADAEHN CCC(N)(CC)C(=O)N[C@H]1C[C@H]1C 86813736 572984657 /nfs/dbraw/zinc/98/46/57/572984657.db2.gz NWTIFTCBHJZPPR-SFYZADRCSA-N 0 3 184.283 1.029 10 0 ADAEHN CCC(N)(CC)C(=O)N1CCC[C@H]1C 86813222 572984686 /nfs/dbraw/zinc/98/46/86/572984686.db2.gz CSEBSNZCTWAULC-SECBINFHSA-N 0 3 198.310 1.515 10 0 ADAEHN CCC(N)(CC)C(=O)N(C)C1CC1 86812723 572984808 /nfs/dbraw/zinc/98/48/08/572984808.db2.gz FBCIXHWTKFQHBY-UHFFFAOYSA-N 0 3 184.283 1.125 10 0 ADAEHN CCCn1cnnc1C(N)(CC)CC 86812221 572984814 /nfs/dbraw/zinc/98/48/14/572984814.db2.gz FQWLNLOMTRIQDV-UHFFFAOYSA-N 0 3 196.298 1.662 10 0 ADAEHN CCC(N)(CC)C(=O)NC1CCC1 86813727 572984904 /nfs/dbraw/zinc/98/49/04/572984904.db2.gz JAXABHZWNTXKAT-UHFFFAOYSA-N 0 3 184.283 1.173 10 0 ADAEHN CCC(N)(CC)C(=O)NCC(C)C 86812386 572984915 /nfs/dbraw/zinc/98/49/15/572984915.db2.gz RIXDLTHOCGEPTM-UHFFFAOYSA-N 0 3 186.299 1.276 10 0 ADAEHN C[C@@H]1CCN(c2ccncc2)C[C@H]1O 299915975 572984918 /nfs/dbraw/zinc/98/49/18/572984918.db2.gz RQQYMUMFZISLIC-MWLCHTKSSA-N 0 3 192.262 1.289 10 0 ADAEHN CCOC[C@@H](N)Cc1nccs1 86827875 572984952 /nfs/dbraw/zinc/98/49/52/572984952.db2.gz MOXMTAAMCMLBAA-ZETCQYMHSA-N 0 3 186.280 1.049 10 0 ADAEHN CCC(N)(CC)C(=O)N1CC[C@@H](C)C1 86813395 572985012 /nfs/dbraw/zinc/98/50/12/572985012.db2.gz HFAWJZTUZAOLNJ-SECBINFHSA-N 0 3 198.310 1.372 10 0 ADAEHN CN1CCC[C@@H]1c1ccnnc1 196225205 572985553 /nfs/dbraw/zinc/98/55/53/572985553.db2.gz ZNKSLZAWYOVUPS-SECBINFHSA-N 0 3 163.224 1.243 10 0 ADAEHN CCCC(=O)Nc1ccc(CN)cn1 51952670 572985819 /nfs/dbraw/zinc/98/58/19/572985819.db2.gz DDCSCESTJLHFDU-UHFFFAOYSA-N 0 3 193.250 1.279 10 0 ADAEHN COCCNCc1cscc1C 86815573 572986420 /nfs/dbraw/zinc/98/64/20/572986420.db2.gz AXGTTWOIVONBRR-UHFFFAOYSA-N 0 3 185.292 1.793 10 0 ADAEHN C=C/C=C/CC[C@H]1CNCCC1=O 713672640 572986587 /nfs/dbraw/zinc/98/65/87/572986587.db2.gz LOHFOQDOMQCAFL-FSIBCCDJSA-N 0 3 179.263 1.687 10 0 ADAEHN CCCNc1cc(NC)nc(CC)n1 87906176 572994637 /nfs/dbraw/zinc/99/46/37/572994637.db2.gz OLVOVVKQUDZHJC-UHFFFAOYSA-N 0 3 194.282 1.903 10 0 ADAEHN COCc1ccc(CN)c(F)c1 257916856 572994638 /nfs/dbraw/zinc/99/46/38/572994638.db2.gz BPMTUERLDDWBPI-UHFFFAOYSA-N 0 3 169.199 1.431 10 0 ADAEHN C[C@@H](N)[C@](C)(F)c1ccccc1O 257915696 572992749 /nfs/dbraw/zinc/99/27/49/572992749.db2.gz QUVZHTMTWKKFNP-XCBNKYQSSA-N 0 3 183.226 1.924 10 0 ADAEHN C[C@@H](N)c1cc(O)cc2c1OCO2 257917031 572992771 /nfs/dbraw/zinc/99/27/71/572992771.db2.gz BQOJTBWWQXSKEX-RXMQYKEDSA-N 0 3 181.191 1.141 10 0 ADAEHN C[C@@H](N)c1cc(F)c(F)cc1C=O 258205335 572992780 /nfs/dbraw/zinc/99/27/80/572992780.db2.gz YWENZLLKQWHWSG-RXMQYKEDSA-N 0 3 185.173 1.797 10 0 ADAEHN C[C@H](N)[C@@](C)(F)c1ccccc1O 257915694 572992831 /nfs/dbraw/zinc/99/28/31/572992831.db2.gz QUVZHTMTWKKFNP-OIBJUYFYSA-N 0 3 183.226 1.924 10 0 ADAEHN C[C@@H](N)[C@@](C)(F)c1ccccc1O 257915693 572992860 /nfs/dbraw/zinc/99/28/60/572992860.db2.gz QUVZHTMTWKKFNP-GMSGAONNSA-N 0 3 183.226 1.924 10 0 ADAEHN CC(C)[C@@H]([NH3+])c1ccc([O-])cn1 104524503 572994010 /nfs/dbraw/zinc/99/40/10/572994010.db2.gz ILGIPAKVNSMGFB-SECBINFHSA-N 0 3 166.224 1.443 10 0 ADAEHN Cc1cc([C@@H](C)NC(C)C)n(C)n1 642840145 572993288 /nfs/dbraw/zinc/99/32/88/572993288.db2.gz AWNJONVOFBYOHW-SECBINFHSA-N 0 3 181.283 1.210 10 0 ADAEHN COc1ccc([C@@H](C)N)c(OC)n1 104525549 572994115 /nfs/dbraw/zinc/99/41/15/572994115.db2.gz QVXLOSBPUAZKDX-ZCFIWIBFSA-N 0 3 182.223 1.119 10 0 ADAEHN CNc1cc(N(C)C)nc(C(C)C)n1 87908888 572994116 /nfs/dbraw/zinc/99/41/16/572994116.db2.gz ONTMJHFCRBBITI-UHFFFAOYSA-N 0 3 194.282 1.708 10 0 ADAEHN CCCNc1cc(N)nc(CC)n1 87906173 572993487 /nfs/dbraw/zinc/99/34/87/572993487.db2.gz RIRCPKNQECNKKR-UHFFFAOYSA-N 0 3 180.255 1.443 10 0 ADAEHN Fc1cnccc1[C@@H]1CCN1 104531326 572993584 /nfs/dbraw/zinc/99/35/84/572993584.db2.gz DQIHUIKCRUWWMC-QMMMGPOBSA-N 0 3 152.172 1.255 10 0 ADAEHN CCc1nc(N)cc(NC(C)(C)C)n1 87906134 572993602 /nfs/dbraw/zinc/99/36/02/572993602.db2.gz ANQYZRJIPJDISJ-UHFFFAOYSA-N 0 3 194.282 1.832 10 0 ADAEHN CCCc1noc([C@@](C)(CC)CN)n1 128271429 572993624 /nfs/dbraw/zinc/99/36/24/572993624.db2.gz JQKDPOXQSNBUOG-JTQLQIEISA-N 0 3 197.282 1.649 10 0 ADAEHN C[C@H](N)[C@](C)(F)c1ccccc1O 257915698 572993636 /nfs/dbraw/zinc/99/36/36/572993636.db2.gz QUVZHTMTWKKFNP-XVKPBYJWSA-N 0 3 183.226 1.924 10 0 ADAEHN CCCc1nc(N)c(C)c(NCC)n1 87917948 572993665 /nfs/dbraw/zinc/99/36/65/572993665.db2.gz SOJGBCCBOPZMHL-UHFFFAOYSA-N 0 3 194.282 1.752 10 0 ADAEHN Cc1c(N)nc(C(C)C)nc1N 87918056 572993688 /nfs/dbraw/zinc/99/36/88/572993688.db2.gz SZWYFPVHOGEDBI-UHFFFAOYSA-N 0 3 166.228 1.073 10 0 ADAEHN C[C@H]([NH3+])Cc1ccc(O)c(F)c1[O-] 258207580 572993778 /nfs/dbraw/zinc/99/37/78/572993778.db2.gz ZCNJTNCSUVUVPR-YFKPBYRVSA-N 0 3 185.198 1.127 10 0 ADAEHN CCNc1cc(NC)nc(CC)n1 87906203 572993807 /nfs/dbraw/zinc/99/38/07/572993807.db2.gz DKECZFYDPLSJEG-UHFFFAOYSA-N 0 3 180.255 1.513 10 0 ADAEHN Cc1nc(NN)c(Cl)cc1Cl 104532024 572993845 /nfs/dbraw/zinc/99/38/45/572993845.db2.gz RGGOMLBNGARUJY-UHFFFAOYSA-N 0 3 192.049 1.982 10 0 ADAEHN CCc1nc(NC)cc(NC)n1 87906204 572993950 /nfs/dbraw/zinc/99/39/50/572993950.db2.gz MRWUFQYRJVWFOC-UHFFFAOYSA-N 0 3 166.228 1.122 10 0 ADAEHN CSc1ccc([C@H](N)CO)c(C)c1 258205225 572993956 /nfs/dbraw/zinc/99/39/56/572993956.db2.gz YULVIHGVZGICJO-SNVBAGLBSA-N 0 3 197.303 1.709 10 0 ADAEHN Oc1cc(O)cc([C@@H]2CCCCN2)c1 104529781 572993959 /nfs/dbraw/zinc/99/39/59/572993959.db2.gz JNJATGVMVAAYOC-NSHDSACASA-N 0 3 193.246 1.912 10 0 ADAEHN NC[C@]1(F)CCc2c(O)cccc21 257915706 572993964 /nfs/dbraw/zinc/99/39/64/572993964.db2.gz QVDNGLXLIZCURH-SNVBAGLBSA-N 0 3 181.210 1.462 10 0 ADAEHN COC(=O)c1cc(CN)c(F)cc1C 258207420 572993981 /nfs/dbraw/zinc/99/39/81/572993981.db2.gz YZDYKYKTGKGECS-UHFFFAOYSA-N 0 3 197.209 1.379 10 0 ADAEHN CC(C)c1nc(N)cc(NC2CC2)n1 87908940 572993986 /nfs/dbraw/zinc/99/39/86/572993986.db2.gz QXSPMWGXGYVSCZ-UHFFFAOYSA-N 0 3 192.266 1.757 10 0 ADAEHN Cn1nc2c(c1[C@H](F)CN)CCCC2 686043299 572994025 /nfs/dbraw/zinc/99/40/25/572994025.db2.gz DYRZYPPTXUTPOA-MRVPVSSYSA-N 0 3 197.257 1.268 10 0 ADAEHN CC(C)c1nc(N)[nH]c1[C@H]1CCCO1 258208690 572994039 /nfs/dbraw/zinc/99/40/39/572994039.db2.gz XLRHZPXKHWAGET-SSDOTTSWSA-N 0 3 195.266 1.967 10 0 ADAEHN CCc1nc(N)cc(N(C)CC)n1 87906247 572994053 /nfs/dbraw/zinc/99/40/53/572994053.db2.gz PEFFYBADGGNMRV-UHFFFAOYSA-N 0 3 180.255 1.077 10 0 ADAEHN Cc1c[nH]c(=O)c([C@@H](C)N)c1 104524973 572994067 /nfs/dbraw/zinc/99/40/67/572994067.db2.gz AQEHZFUVJYQXDE-ZCFIWIBFSA-N 0 3 152.197 1.115 10 0 ADAEHN CC[C@@](C)(CN)c1nc(C2CC2)no1 128267271 572994092 /nfs/dbraw/zinc/99/40/92/572994092.db2.gz SDESREHFKMZSMV-JTQLQIEISA-N 0 3 195.266 1.573 10 0 ADAEHN CCCc1nc(NN)cc(SC)n1 87908308 572994095 /nfs/dbraw/zinc/99/40/95/572994095.db2.gz DPQRHTDILKTDJI-UHFFFAOYSA-N 0 3 198.295 1.437 10 0 ADAEHN Cn1nc2c(c1[C@@H](F)CN)CCCC2 686043301 572994105 /nfs/dbraw/zinc/99/41/05/572994105.db2.gz DYRZYPPTXUTPOA-QMMMGPOBSA-N 0 3 197.257 1.268 10 0 ADAEHN C[C@@H](F)Oc1cccc2c1CNC2 258206713 572994143 /nfs/dbraw/zinc/99/41/43/572994143.db2.gz ZPYLKPXVDCMJQA-ZETCQYMHSA-N 0 3 181.210 1.984 10 0 ADAEHN CNc1cc(NC)nc(C(C)C)n1 87908955 572994162 /nfs/dbraw/zinc/99/41/62/572994162.db2.gz MLMSZMWRAAREJW-UHFFFAOYSA-N 0 3 180.255 1.683 10 0 ADAEHN CCCc1nc(N)c(C)c(N(C)C)n1 87917860 572994190 /nfs/dbraw/zinc/99/41/90/572994190.db2.gz ICHYDBFVVAUWTC-UHFFFAOYSA-N 0 3 194.282 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259598605 573009284 /nfs/dbraw/zinc/00/92/84/573009284.db2.gz CYALEVAWJNMASW-ZCFIWIBFSA-N 0 3 183.280 1.026 10 0 ADAEHN C1CN[C@@H]([C@H]2CCCS2)OC1 258219689 573009388 /nfs/dbraw/zinc/00/93/88/573009388.db2.gz XHUAVGSMRISBJI-HTQZYQBOSA-N 0 3 173.281 1.218 10 0 ADAEHN CCCOc1ncc(CNCC)cn1 308474675 573009510 /nfs/dbraw/zinc/00/95/10/573009510.db2.gz DBOWVEHPZQTWMZ-UHFFFAOYSA-N 0 3 195.266 1.375 10 0 ADAEHN CCC(CC)[C@H](N)c1ncnn1C 308221258 573009686 /nfs/dbraw/zinc/00/96/86/573009686.db2.gz OGRMIRYABSOTPT-QMMMGPOBSA-N 0 3 182.271 1.251 10 0 ADAEHN c1ccc(C23CC(C2)N3)cc1 258221232 573009833 /nfs/dbraw/zinc/00/98/33/573009833.db2.gz ORMNCXFRYSIODG-UHFFFAOYSA-N 0 3 145.205 1.648 10 0 ADAEHN NCc1nc([C@@H]2CCCN2)cs1 259598571 573010431 /nfs/dbraw/zinc/01/04/31/573010431.db2.gz CYALEVAWJNMASW-LURJTMIESA-N 0 3 183.280 1.026 10 0 ADAEHN CO[C@H](C)C[C@H](N)c1ccoc1 128372559 573010457 /nfs/dbraw/zinc/01/04/57/573010457.db2.gz CLIBFKJCNHYRCC-APPZFPTMSA-N 0 3 169.224 1.704 10 0 ADAEHN 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0 3 196.298 1.590 10 0 ADAEHN O[C@H]1CCN[C@H](c2cccc(F)c2)C1 258220978 573012197 /nfs/dbraw/zinc/01/21/97/573012197.db2.gz YOFBVTLGZNPXCK-QWRGUYRKSA-N 0 3 195.237 1.611 10 0 ADAEHN C[C@H](Cc1ccncc1)NCCF 308224845 573012526 /nfs/dbraw/zinc/01/25/26/573012526.db2.gz DNDIKFXLWRZUTM-SECBINFHSA-N 0 3 182.242 1.572 10 0 ADAEHN CCn1cc(N)nc1NC1CCCC1 257923092 573012649 /nfs/dbraw/zinc/01/26/49/573012649.db2.gz RSLZLTRRCUFUSD-UHFFFAOYSA-N 0 3 194.282 1.840 10 0 ADAEHN C/C=C/CNC(CC)(CC)C(N)=O 308223374 573012778 /nfs/dbraw/zinc/01/27/78/573012778.db2.gz MCZVZIZXDOGKJN-QPJJXVBHSA-N 0 3 184.283 1.196 10 0 ADAEHN Cc1oncc1[C@H](C)NC[C@@H](C)O 308224090 573012868 /nfs/dbraw/zinc/01/28/68/573012868.db2.gz DFSXTMFJXKEKAS-RQJHMYQMSA-N 0 3 184.239 1.014 10 0 ADAEHN C1CN[C@@H]([C@@H]2CCCS2)OC1 258219732 573012873 /nfs/dbraw/zinc/01/28/73/573012873.db2.gz XHUAVGSMRISBJI-JGVFFNPUSA-N 0 3 173.281 1.218 10 0 ADAEHN C1CN[C@H]([C@@H]2CCCS2)OC1 258219800 573013072 /nfs/dbraw/zinc/01/30/72/573013072.db2.gz 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258226126 573016040 /nfs/dbraw/zinc/01/60/40/573016040.db2.gz YCVIJNCFHJOZNM-SNVBAGLBSA-N 0 3 181.210 1.314 10 0 ADAEHN CCC[C@@H](OC)[C@@H](N)c1ccc[nH]1 308224331 573016125 /nfs/dbraw/zinc/01/61/25/573016125.db2.gz PXLNIBZZZIGWRN-ZJUUUORDSA-N 0 3 182.267 1.830 10 0 ADAEHN N[C@@H]1CCCc2ccoc21 104566530 573016415 /nfs/dbraw/zinc/01/64/15/573016415.db2.gz CCPGAJMLVWMBEP-SSDOTTSWSA-N 0 3 137.182 1.616 10 0 ADAEHN CCC[C@H](C)[C@@H](NC)c1cnn(C)n1 308475940 573016418 /nfs/dbraw/zinc/01/64/18/573016418.db2.gz LBWQATFZNNPMSL-WCBMZHEXSA-N 0 3 196.298 1.512 10 0 ADAEHN CN[C@H](c1ccc[nH]1)[C@H](OC)C(C)C 308475925 573016562 /nfs/dbraw/zinc/01/65/62/573016562.db2.gz LBJDTSFEHHYUQP-GHMZBOCLSA-N 0 3 196.294 1.946 10 0 ADAEHN CC[C@H]1C[C@@H]1NCc1cc(C)n[nH]1 308224423 573016497 /nfs/dbraw/zinc/01/64/97/573016497.db2.gz MJEKNCFXCVZHKK-WPRPVWTQSA-N 0 3 179.267 1.606 10 0 ADAEHN CC[C@H]1C[C@@H]1NCc1cc(C)[nH]n1 308224423 573016502 /nfs/dbraw/zinc/01/65/02/573016502.db2.gz MJEKNCFXCVZHKK-WPRPVWTQSA-N 0 3 179.267 1.606 10 0 ADAEHN CCC[C@@H](OC)[C@H](N)c1ccc[nH]1 308224327 573016637 /nfs/dbraw/zinc/01/66/37/573016637.db2.gz PXLNIBZZZIGWRN-NXEZZACHSA-N 0 3 182.267 1.830 10 0 ADAEHN CCN(CC)CCC(=O)c1ccc[nH]1 308480018 573016700 /nfs/dbraw/zinc/01/67/00/573016700.db2.gz MJFWKEFPQYGVLT-UHFFFAOYSA-N 0 3 194.278 1.929 10 0 ADAEHN C[C@@]1(C2CCCC2)CC(=O)CN1 258224552 573016720 /nfs/dbraw/zinc/01/67/20/573016720.db2.gz YVGNWDDPZPZMHG-JTQLQIEISA-N 0 3 167.252 1.498 10 0 ADAEHN CC[C@H](C)N(C)C(=O)[C@H](N)CC1CC1 308480163 573017154 /nfs/dbraw/zinc/01/71/54/573017154.db2.gz MMAUDIVLNQFREL-WCBMZHEXSA-N 0 3 198.310 1.371 10 0 ADAEHN CCCCCN1CC[C@H](NCC)C1=O 49647361 573016788 /nfs/dbraw/zinc/01/67/88/573016788.db2.gz ZGHOKJXMHNEVPV-JTQLQIEISA-N 0 3 198.310 1.387 10 0 ADAEHN CN[C@H](c1ccc[nH]1)[C@@H](OC)C(C)C 308475926 573016793 /nfs/dbraw/zinc/01/67/93/573016793.db2.gz LBJDTSFEHHYUQP-MNOVXSKESA-N 0 3 196.294 1.946 10 0 ADAEHN CC[C@H](C)N(C)C(=O)[C@@H](N)CC1CC1 308480165 573016836 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0 3 199.200 1.919 10 0 ADAEHN CC(C)(C)NCC(=O)Nc1cnoc1 82397573 573026465 /nfs/dbraw/zinc/02/64/65/573026465.db2.gz XSZYETQCOGJNFV-UHFFFAOYSA-N 0 3 197.238 1.001 10 0 ADAEHN O=C(CNCC1CC1)c1ccc[nH]1 308232353 573026568 /nfs/dbraw/zinc/02/65/68/573026568.db2.gz UDCYYPHVQSXNOV-UHFFFAOYSA-N 0 3 178.235 1.197 10 0 ADAEHN Cc1cccc(C2=NC[C@H](CN)O2)c1 257924603 573026609 /nfs/dbraw/zinc/02/66/09/573026609.db2.gz AZWMVOJDHBFIEQ-JTQLQIEISA-N 0 3 190.246 1.099 10 0 ADAEHN CC1(C)C[C@]2(C)C[C@H]1[C@@H](N)C2=O 238254258 573026696 /nfs/dbraw/zinc/02/66/96/573026696.db2.gz RGPDATBRGPZFGM-PJKMHFRUSA-N 0 3 167.252 1.339 10 0 ADAEHN COc1ccc(CO)cc1[C@@H](C)N 104574367 573026807 /nfs/dbraw/zinc/02/68/07/573026807.db2.gz BNFJHSDIABDAEV-SSDOTTSWSA-N 0 3 181.235 1.207 10 0 ADAEHN Cc1cc([C@H](N)[C@@H](C)O)c(C)o1 104574073 573026953 /nfs/dbraw/zinc/02/69/53/573026953.db2.gz IRCYTRLXGSEBDF-HZGVNTEJSA-N 0 3 169.224 1.277 10 0 ADAEHN Cc1cc(N[C@@H]2C[C@@H]2C)nc(N)n1 82403776 573027004 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104577657 573031156 /nfs/dbraw/zinc/03/11/56/573031156.db2.gz RUCLEXCEJIAQFB-MRVPVSSYSA-N 0 3 166.224 1.384 10 0 ADAEHN F[C@H]1CCCN[C@]12CCSC2 258230074 573031197 /nfs/dbraw/zinc/03/11/97/573031197.db2.gz ZKYFGWHKOLWSLQ-YUMQZZPRSA-N 0 3 175.272 1.584 10 0 ADAEHN CCCC[C@]1(N)CCCC1=O 238256538 573031207 /nfs/dbraw/zinc/03/12/07/573031207.db2.gz WJXKJKIMZRDXJG-VIFPVBQESA-N 0 3 155.241 1.627 10 0 ADAEHN CCN(C)c1cc(C)nc(C)c1CN 87974861 573031216 /nfs/dbraw/zinc/03/12/16/573031216.db2.gz LNYDTGPJDZOEFP-UHFFFAOYSA-N 0 3 193.294 1.613 10 0 ADAEHN COc1ccncc1[C@@H](N)CC1CC1 308485528 573031221 /nfs/dbraw/zinc/03/12/21/573031221.db2.gz OBQUSYBCCFGVAO-JTQLQIEISA-N 0 3 192.262 1.890 10 0 ADAEHN CO[C@@H](C)C[C@H](N)c1ccco1 128400327 573031226 /nfs/dbraw/zinc/03/12/26/573031226.db2.gz IIVPHNLCHLSKLC-YUMQZZPRSA-N 0 3 169.224 1.704 10 0 ADAEHN C[C@H](N)c1c(N)cccc1F 104580156 573031272 /nfs/dbraw/zinc/03/12/72/573031272.db2.gz VHXPFBLBCHYNBS-YFKPBYRVSA-N 0 3 154.188 1.428 10 0 ADAEHN F[C@@H]1CCCN[C@@]12CCSC2 258230065 573031282 /nfs/dbraw/zinc/03/12/82/573031282.db2.gz ZKYFGWHKOLWSLQ-HTQZYQBOSA-N 0 3 175.272 1.584 10 0 ADAEHN COc1ccncc1[C@H](N)CC1CC1 308485530 573031287 /nfs/dbraw/zinc/03/12/87/573031287.db2.gz OBQUSYBCCFGVAO-SNVBAGLBSA-N 0 3 192.262 1.890 10 0 ADAEHN CO[C@H](C)C[C@H](N)c1ccco1 128400564 573031376 /nfs/dbraw/zinc/03/13/76/573031376.db2.gz IIVPHNLCHLSKLC-SFYZADRCSA-N 0 3 169.224 1.704 10 0 ADAEHN N[C@@H](O)c1coc2ccccc12 259315173 573031377 /nfs/dbraw/zinc/03/13/77/573031377.db2.gz INAJMEBNZBIXEZ-VIFPVBQESA-N 0 3 163.176 1.382 10 0 ADAEHN CC[C@@H](N)c1c(N)cccc1F 104580166 573031385 /nfs/dbraw/zinc/03/13/85/573031385.db2.gz ZNCDRZFKEFBTTM-SSDOTTSWSA-N 0 3 168.215 1.818 10 0 ADAEHN C[C@H](N)c1cc(CO)ccc1F 104579214 573031396 /nfs/dbraw/zinc/03/13/96/573031396.db2.gz YQXLSBXYTDBDPZ-LURJTMIESA-N 0 3 169.199 1.338 10 0 ADAEHN Cc1cc([C@H](N)[C@H](C)O)cs1 104577903 573031423 /nfs/dbraw/zinc/03/14/23/573031423.db2.gz YOGDLSUADHMWQY-POYBYMJQSA-N 0 3 171.265 1.437 10 0 ADAEHN Cc1c2cc(CN)cc(F)c2nn1C 259597433 573031755 /nfs/dbraw/zinc/03/17/55/573031755.db2.gz ZASGKBXJLSDQJY-UHFFFAOYSA-N 0 3 193.225 1.480 10 0 ADAEHN C[C@H](N)c1cccc(F)c1N 104577091 573031806 /nfs/dbraw/zinc/03/18/06/573031806.db2.gz WYBIDBSYKGUMNA-YFKPBYRVSA-N 0 3 154.188 1.428 10 0 ADAEHN CCSCc1ncc(CN)s1 82416462 573031813 /nfs/dbraw/zinc/03/18/13/573031813.db2.gz UMTRXIXSUWSCSM-UHFFFAOYSA-N 0 3 188.321 1.855 10 0 ADAEHN C[C@@H](O)Cc1cnc([C@@H]2CCCN2)o1 258229902 573031866 /nfs/dbraw/zinc/03/18/66/573031866.db2.gz VNIQFVHVSZVSRF-APPZFPTMSA-N 0 3 196.250 1.022 10 0 ADAEHN CCCc1nc(CC)c(C(=N)N)s1 82422791 573031908 /nfs/dbraw/zinc/03/19/08/573031908.db2.gz RBPOJQBKGCQYLK-UHFFFAOYSA-N 0 3 197.307 1.942 10 0 ADAEHN CCc1cccc(F)c1[C@@H](N)CN 104578588 573031982 /nfs/dbraw/zinc/03/19/82/573031982.db2.gz DGMDBQNPOORMAT-VIFPVBQESA-N 0 3 182.242 1.347 10 0 ADAEHN CCOc1cc(C)nc(C)c1CN 87974959 573032342 /nfs/dbraw/zinc/03/23/42/573032342.db2.gz FCROSMMTFPLXBM-UHFFFAOYSA-N 0 3 180.251 1.556 10 0 ADAEHN CC[C@@H](N)c1nnc2n1CCCC2 87978292 573032069 /nfs/dbraw/zinc/03/20/69/573032069.db2.gz KPRBOCPVCRVGJP-SSDOTTSWSA-N 0 3 180.255 1.024 10 0 ADAEHN NCc1c[nH]nc1[C@H]1CCCCO1 257931961 573032092 /nfs/dbraw/zinc/03/20/92/573032092.db2.gz TUJJAPPIELCMRM-MRVPVSSYSA-N 0 3 181.239 1.110 10 0 ADAEHN CCn1c([C@H](C)NC)cccc1=O 257931897 573032161 /nfs/dbraw/zinc/03/21/61/573032161.db2.gz SYXJLRUHUWOPFT-QMMMGPOBSA-N 0 3 180.251 1.149 10 0 ADAEHN CC[C@H](C)[C@H]1CNCCC1=O 82406540 573032202 /nfs/dbraw/zinc/03/22/02/573032202.db2.gz KBLDBSYENPIYKP-JGVFFNPUSA-N 0 3 155.241 1.211 10 0 ADAEHN Cc1ccncc1[C@H](N)[C@H]1CCCO1 85441686 573032290 /nfs/dbraw/zinc/03/22/90/573032290.db2.gz YBBKBGOYPNCQHY-MNOVXSKESA-N 0 3 192.262 1.569 10 0 ADAEHN C[C@@H]1OCC[C@H]1CNc1ccncc1 235442160 573033131 /nfs/dbraw/zinc/03/31/31/573033131.db2.gz IYGLZDLUDPSXEH-UWVGGRQHSA-N 0 3 192.262 1.919 10 0 ADAEHN CCn1c([C@@H](C)NC)cccc1=O 257931895 573032516 /nfs/dbraw/zinc/03/25/16/573032516.db2.gz SYXJLRUHUWOPFT-MRVPVSSYSA-N 0 3 180.251 1.149 10 0 ADAEHN CC[C@@](C)(N)c1nnc2n1CCCC2 87978232 573032537 /nfs/dbraw/zinc/03/25/37/573032537.db2.gz URNSSCSMBYRFDB-SNVBAGLBSA-N 0 3 194.282 1.198 10 0 ADAEHN Cc1ccncc1[C@]1(N)CCCOC1 85440679 573032568 /nfs/dbraw/zinc/03/25/68/573032568.db2.gz IQCHCRMGJWZHBB-NSHDSACASA-N 0 3 192.262 1.354 10 0 ADAEHN CCNc1c(CNC)cc(C)nc1C 238249130 573032596 /nfs/dbraw/zinc/03/25/96/573032596.db2.gz LLWXNOCBOAAQDA-UHFFFAOYSA-N 0 3 193.294 1.850 10 0 ADAEHN COc1cc(C)nc(C)c1CN 87974956 573032604 /nfs/dbraw/zinc/03/26/04/573032604.db2.gz FVKFJULNMMUKNN-UHFFFAOYSA-N 0 3 166.224 1.166 10 0 ADAEHN COC[C@](C)(N)c1cnccc1C 85440674 573032670 /nfs/dbraw/zinc/03/26/70/573032670.db2.gz FVEZQFORPZZTKO-JTQLQIEISA-N 0 3 180.251 1.210 10 0 ADAEHN Cc1oc(CN)nc1[C@@H]1CCCCN1 258229974 573032684 /nfs/dbraw/zinc/03/26/84/573032684.db2.gz ZJUXEACNCJDEGR-QMMMGPOBSA-N 0 3 195.266 1.256 10 0 ADAEHN C[C@@H](O)Cc1cnc([C@H]2CCCN2)o1 258229913 573032766 /nfs/dbraw/zinc/03/27/66/573032766.db2.gz VNIQFVHVSZVSRF-VXNVDRBHSA-N 0 3 196.250 1.022 10 0 ADAEHN CNCc1cnc([C@@H]2CCCS2)o1 258229985 573032833 /nfs/dbraw/zinc/03/28/33/573032833.db2.gz VNXUULGJURLYSX-QMMMGPOBSA-N 0 3 198.291 1.962 10 0 ADAEHN N[C@H]([C@@H]1CCCCN1)C(F)(F)F 104581296 573034376 /nfs/dbraw/zinc/03/43/76/573034376.db2.gz SCQJLZZAFNJVIG-NTSWFWBYSA-N 0 3 182.189 1.018 10 0 ADAEHN C[C@@H](N)c1cn2c(F)cccc2n1 141810058 573032864 /nfs/dbraw/zinc/03/28/64/573032864.db2.gz JPFIUJMTAAWQKU-ZCFIWIBFSA-N 0 3 179.198 1.493 10 0 ADAEHN CC(=O)Nc1cnccc1N(C)C 82426407 573032870 /nfs/dbraw/zinc/03/28/70/573032870.db2.gz SOWAFIHTRWUCIW-UHFFFAOYSA-N 0 3 179.223 1.106 10 0 ADAEHN Cc1cc(C)c([C@@H](N)[C@H](C)O)[nH]1 104579863 573032872 /nfs/dbraw/zinc/03/28/72/573032872.db2.gz FDWWAUNPGMGCDP-YUMQZZPRSA-N 0 3 168.240 1.012 10 0 ADAEHN Cc1nc(C(C)(C)N)cs1 82406231 573033002 /nfs/dbraw/zinc/03/30/02/573033002.db2.gz LRZALGMFFYCKMO-UHFFFAOYSA-N 0 3 156.254 1.645 10 0 ADAEHN CO[C@@H](C)c1ccccc1[C@@H](N)CO 259597916 573033009 /nfs/dbraw/zinc/03/30/09/573033009.db2.gz ZNCJLAQYQACQKA-KWQFWETISA-N 0 3 195.262 1.386 10 0 ADAEHN N[C@H](O)c1coc2ccccc12 259315169 573033061 /nfs/dbraw/zinc/03/30/61/573033061.db2.gz INAJMEBNZBIXEZ-SECBINFHSA-N 0 3 163.176 1.382 10 0 ADAEHN CC[C@H]([NH3+])c1ccc(F)c([O-])c1 104580122 573033074 /nfs/dbraw/zinc/03/30/74/573033074.db2.gz WEJDNHXDZPMTFH-QMMMGPOBSA-N 0 3 169.199 1.941 10 0 ADAEHN COCC[C@@H](N)c1cnccc1OC 393655527 573033215 /nfs/dbraw/zinc/03/32/15/573033215.db2.gz GCJSRLLWXJHVSC-SECBINFHSA-N 0 3 196.250 1.127 10 0 ADAEHN CC[C@@H](C)[C@@H]1CNCCC1=O 82406537 573033252 /nfs/dbraw/zinc/03/32/52/573033252.db2.gz KBLDBSYENPIYKP-SFYZADRCSA-N 0 3 155.241 1.211 10 0 ADAEHN COc1cccc2cnc(C)n12 257931159 573033339 /nfs/dbraw/zinc/03/33/39/573033339.db2.gz JBMLCXYEXCDMPO-UHFFFAOYSA-N 0 3 162.192 1.651 10 0 ADAEHN Cc1ccc(O)cc1[C@H](N)CCO 104577433 573033374 /nfs/dbraw/zinc/03/33/74/573033374.db2.gz PMPYUPHEFDGRDE-SNVBAGLBSA-N 0 3 181.235 1.083 10 0 ADAEHN Cc1ccncc1[C@H](N)[C@@H]1CCCO1 85441682 573033674 /nfs/dbraw/zinc/03/36/74/573033674.db2.gz YBBKBGOYPNCQHY-QWRGUYRKSA-N 0 3 192.262 1.569 10 0 ADAEHN Cc1ccoc1[C@@H](C)N 82411467 573033387 /nfs/dbraw/zinc/03/33/87/573033387.db2.gz YASIFZRAKKIJSO-ZCFIWIBFSA-N 0 3 125.171 1.608 10 0 ADAEHN Cc1ccoc1[C@H](C)N 82411468 573033433 /nfs/dbraw/zinc/03/34/33/573033433.db2.gz YASIFZRAKKIJSO-LURJTMIESA-N 0 3 125.171 1.608 10 0 ADAEHN CC[C@@H]([NH3+])c1ccc(F)c([O-])c1 104580125 573033588 /nfs/dbraw/zinc/03/35/88/573033588.db2.gz WEJDNHXDZPMTFH-MRVPVSSYSA-N 0 3 169.199 1.941 10 0 ADAEHN CC[C@@H](N)c1occc1C 82410489 573033608 /nfs/dbraw/zinc/03/36/08/573033608.db2.gz QQDRNGQGECUIER-SSDOTTSWSA-N 0 3 139.198 1.998 10 0 ADAEHN C[C@H](O)Cc1cnc([C@@H]2CCCN2)o1 258229906 573033646 /nfs/dbraw/zinc/03/36/46/573033646.db2.gz VNIQFVHVSZVSRF-CBAPKCEASA-N 0 3 196.250 1.022 10 0 ADAEHN Cc1csc([C@](C)(N)CO)c1 104578451 573033703 /nfs/dbraw/zinc/03/37/03/573033703.db2.gz BPYPHPNXGSHVCH-MRVPVSSYSA-N 0 3 171.265 1.223 10 0 ADAEHN C1=CC[C@@H](COC2CNC2)CC1 402195063 573033730 /nfs/dbraw/zinc/03/37/30/573033730.db2.gz IFWWSXOKXDSFED-SECBINFHSA-N 0 3 167.252 1.331 10 0 ADAEHN CO[C@H](C)c1ccccc1[C@H](N)CO 259597920 573033751 /nfs/dbraw/zinc/03/37/51/573033751.db2.gz ZNCJLAQYQACQKA-LDYMZIIASA-N 0 3 195.262 1.386 10 0 ADAEHN Cc1ccc(O)cc1[C@@H](N)CCO 104577436 573033778 /nfs/dbraw/zinc/03/37/78/573033778.db2.gz PMPYUPHEFDGRDE-JTQLQIEISA-N 0 3 181.235 1.083 10 0 ADAEHN CCC[C@H]1NCC[C@@H]2CCCCN21 238248805 573033801 /nfs/dbraw/zinc/03/38/01/573033801.db2.gz BOKZSODTQNDROT-QWRGUYRKSA-N 0 3 182.311 1.960 10 0 ADAEHN N[C@H](c1nnc2n1CCCC2)C1CC1 87978263 573033815 /nfs/dbraw/zinc/03/38/15/573033815.db2.gz JFSRABLREKADAZ-VIFPVBQESA-N 0 3 192.266 1.024 10 0 ADAEHN CC(C)[C@H](N)c1nnc2n1CCCC2 87978272 573033895 /nfs/dbraw/zinc/03/38/95/573033895.db2.gz NHZNHIYXTFCMPH-VIFPVBQESA-N 0 3 194.282 1.270 10 0 ADAEHN CSc1cc(C)nc(C)c1CN 87975473 573033919 /nfs/dbraw/zinc/03/39/19/573033919.db2.gz WXFDXVWWBJKDRW-UHFFFAOYSA-N 0 3 182.292 1.879 10 0 ADAEHN C1=CC[C@H](COC2CNC2)CC1 402195064 573033928 /nfs/dbraw/zinc/03/39/28/573033928.db2.gz IFWWSXOKXDSFED-VIFPVBQESA-N 0 3 167.252 1.331 10 0 ADAEHN CSC[C@H](N)c1cnccc1C 85441455 573034018 /nfs/dbraw/zinc/03/40/18/573034018.db2.gz RRZKVQNMVZFMLM-VIFPVBQESA-N 0 3 182.292 1.753 10 0 ADAEHN Cc1ccncc1[C@@]1(N)CCCOC1 85440680 573034093 /nfs/dbraw/zinc/03/40/93/573034093.db2.gz IQCHCRMGJWZHBB-LLVKDONJSA-N 0 3 192.262 1.354 10 0 ADAEHN CC(C)c1nc(NN)cc(C2CC2)n1 82431165 573034121 /nfs/dbraw/zinc/03/41/21/573034121.db2.gz XDMTXPQOTISBFE-UHFFFAOYSA-N 0 3 192.266 1.763 10 0 ADAEHN N[C@@H](c1nnc2n1CCCC2)C1CC1 87978262 573034138 /nfs/dbraw/zinc/03/41/38/573034138.db2.gz JFSRABLREKADAZ-SECBINFHSA-N 0 3 192.266 1.024 10 0 ADAEHN Cc1cc(N(C)C)c(CN)c(C)n1 87974858 573034318 /nfs/dbraw/zinc/03/43/18/573034318.db2.gz WKKSAHGVOIXZGI-UHFFFAOYSA-N 0 3 179.267 1.223 10 0 ADAEHN C[C@H](O)[C@H](F)C1CCN(C)CC1 257925770 573034332 /nfs/dbraw/zinc/03/43/32/573034332.db2.gz SCZWWJUBTXFNEC-CBAPKCEASA-N 0 3 175.247 1.047 10 0 ADAEHN COCCC[C@@](C)(N)c1ccn(C)n1 714799092 573034365 /nfs/dbraw/zinc/03/43/65/573034365.db2.gz HGYXRGKDAADSEG-SNVBAGLBSA-N 0 3 197.282 1.021 10 0 ADAEHN NC[C@H](F)COc1ccccc1O 257925756 573034385 /nfs/dbraw/zinc/03/43/85/573034385.db2.gz SCTLCDYBEIGMJT-ZETCQYMHSA-N 0 3 185.198 1.068 10 0 ADAEHN CC(C)c1ncsc1CN 82429272 573034388 /nfs/dbraw/zinc/03/43/88/573034388.db2.gz SQSKVQQCHDGSAR-UHFFFAOYSA-N 0 3 156.254 1.725 10 0 ADAEHN C[C@@H](N)c1cc(F)c(F)cc1N 104581891 573034409 /nfs/dbraw/zinc/03/44/09/573034409.db2.gz XZAQOBSHQORISL-SCSAIBSYSA-N 0 3 172.178 1.567 10 0 ADAEHN C[C@H](N)c1cc(F)c(F)cc1N 104581889 573034434 /nfs/dbraw/zinc/03/44/34/573034434.db2.gz XZAQOBSHQORISL-BYPYZUCNSA-N 0 3 172.178 1.567 10 0 ADAEHN C[C@@H](N)c1cccc2c1OCCCO2 141809372 573035038 /nfs/dbraw/zinc/03/50/38/573035038.db2.gz NDOIPEMMAVOAJD-MRVPVSSYSA-N 0 3 193.246 1.868 10 0 ADAEHN Nc1cccc(F)c1[C@@H](N)C1CC1 104580736 573034592 /nfs/dbraw/zinc/03/45/92/573034592.db2.gz YQWNSJYYDJLAME-JTQLQIEISA-N 0 3 180.226 1.818 10 0 ADAEHN CC[C@H]([NH3+])c1cc([O-])cc(F)c1 104581779 573034643 /nfs/dbraw/zinc/03/46/43/573034643.db2.gz PXWWFJAVTXKMOC-VIFPVBQESA-N 0 3 169.199 1.941 10 0 ADAEHN [NH3+][C@H](c1cc([O-])cc(F)c1)C1CC1 104581795 573034663 /nfs/dbraw/zinc/03/46/63/573034663.db2.gz CVLMZBZJWIVYGS-JTQLQIEISA-N 0 3 181.210 1.941 10 0 ADAEHN Nc1cccc(F)c1[C@H]1CCN1 104581201 573034718 /nfs/dbraw/zinc/03/47/18/573034718.db2.gz RJTKNILWMYYCJI-MRVPVSSYSA-N 0 3 166.199 1.442 10 0 ADAEHN CC(C)Cc1cc([C@H](C)N)nn1C 257925789 573034719 /nfs/dbraw/zinc/03/47/19/573034719.db2.gz SDKFWEGPKIHCPI-QMMMGPOBSA-N 0 3 181.283 1.638 10 0 ADAEHN CO[C@H](C)C[C@@H](N)c1ccco1 128401036 573034822 /nfs/dbraw/zinc/03/48/22/573034822.db2.gz IIVPHNLCHLSKLC-HTQZYQBOSA-N 0 3 169.224 1.704 10 0 ADAEHN CCNc1c(CN)cc(C)nc1C 238248993 573034837 /nfs/dbraw/zinc/03/48/37/573034837.db2.gz QLJUPSMIVWFEDE-UHFFFAOYSA-N 0 3 179.267 1.589 10 0 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238286535 573114814 /nfs/dbraw/zinc/11/48/14/573114814.db2.gz ZXTXXSHBVKSGGA-SSDOTTSWSA-N 0 3 143.161 1.829 10 0 ADAEHN CC[C@@H](N)c1cocc1OC 238286598 573114833 /nfs/dbraw/zinc/11/48/33/573114833.db2.gz AGEHDYUHXQGQJR-SSDOTTSWSA-N 0 3 155.197 1.698 10 0 ADAEHN CC[C@@H]([NH3+])c1cocc1[O-] 238286579 573114862 /nfs/dbraw/zinc/11/48/62/573114862.db2.gz ZUWKLCJKAIAEAG-ZCFIWIBFSA-N 0 3 141.170 1.395 10 0 ADAEHN CCCc1nnc2n1CCC[C@H]2N 258529301 573115261 /nfs/dbraw/zinc/11/52/61/573115261.db2.gz SCSVDGRQZILCPQ-SSDOTTSWSA-N 0 3 180.255 1.024 10 0 ADAEHN Cc1cc(N[C@H]2CC2(C)C)nc(N)n1 88359057 573115303 /nfs/dbraw/zinc/11/53/03/573115303.db2.gz WZOQVLNYLYBVAO-ZETCQYMHSA-N 0 3 192.266 1.578 10 0 ADAEHN OC1CC(CN2CC3(CCC3)C2)C1 123659493 573115331 /nfs/dbraw/zinc/11/53/31/573115331.db2.gz XHFFCUFGADEDJH-UHFFFAOYSA-N 0 3 181.279 1.243 10 0 ADAEHN CC(C)CC1=N[C@@H]2CNCC[C@@H]2O1 257944726 573115528 /nfs/dbraw/zinc/11/55/28/573115528.db2.gz LBTYDKSSWMTRBX-BDAKNGLRSA-N 0 3 182.267 1.192 10 0 ADAEHN 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182.271 1.009 10 0 ADAEHN NCSC1CCCCC1 104643847 573116092 /nfs/dbraw/zinc/11/60/92/573116092.db2.gz UDPGJUTVYBKZBR-UHFFFAOYSA-N 0 3 145.271 1.969 10 0 ADAEHN NCc1cncc(OC2CCCC2)n1 85694788 573116249 /nfs/dbraw/zinc/11/62/49/573116249.db2.gz IDOMZWQZTKFRNL-UHFFFAOYSA-N 0 3 193.250 1.257 10 0 ADAEHN FCCOc1ccc2c(c1)CCNC2 257943923 573116256 /nfs/dbraw/zinc/11/62/56/573116256.db2.gz IEHATIBATCIJPK-UHFFFAOYSA-N 0 3 195.237 1.681 10 0 ADAEHN CCc1ccc2c(c1)[C@@H](N)CC2=O 238287461 573116295 /nfs/dbraw/zinc/11/62/95/573116295.db2.gz XWNWDYXOSTUAHI-JTQLQIEISA-N 0 3 175.231 1.835 10 0 ADAEHN C[C@H]1CNC[C@H](C2(C)CCC2)O1 686131100 573116476 /nfs/dbraw/zinc/11/64/76/573116476.db2.gz OTZMRJMLWXIAMQ-DTWKUNHWSA-N 0 3 169.268 1.554 10 0 ADAEHN CC[C@@H](OC)[C@@]1(C)NCCS1 238288074 573116520 /nfs/dbraw/zinc/11/65/20/573116520.db2.gz FABUBEZPBVLIDL-SFYZADRCSA-N 0 3 175.297 1.464 10 0 ADAEHN Cn1nc(N)cc1CNC1CCCC1 257944255 573116651 /nfs/dbraw/zinc/11/66/51/573116651.db2.gz RGGKSUUXTDTSDU-UHFFFAOYSA-N 0 3 194.282 1.035 10 0 ADAEHN NC1CN(C(=O)C2CCCCCC2)C1 82590440 573116659 /nfs/dbraw/zinc/11/66/59/573116659.db2.gz LDCDRJGYVGSOQJ-UHFFFAOYSA-N 0 3 196.294 1.126 10 0 ADAEHN CC[C@@H](N)c1nccnc1Cl 238287493 573116680 /nfs/dbraw/zinc/11/66/80/573116680.db2.gz KKFARBCJAPHMAA-RXMQYKEDSA-N 0 3 171.631 1.540 10 0 ADAEHN CCn1c([C@H](C)N)nc2cccnc21 82583497 573116696 /nfs/dbraw/zinc/11/66/96/573116696.db2.gz PWSOCBHODSLDIL-ZETCQYMHSA-N 0 3 190.250 1.471 10 0 ADAEHN CN1CC(c2ccc(CCO)cc2)C1 257953969 573116825 /nfs/dbraw/zinc/11/68/25/573116825.db2.gz BGDOUQJMLLONGO-UHFFFAOYSA-N 0 3 191.274 1.250 10 0 ADAEHN CCNCc1nc2cccnc2n1C 82583462 573116944 /nfs/dbraw/zinc/11/69/44/573116944.db2.gz CMOXREUHNPRJGR-UHFFFAOYSA-N 0 3 190.250 1.078 10 0 ADAEHN CC[C@@H](N)c1nc2cccnc2n1C 82583471 573116968 /nfs/dbraw/zinc/11/69/68/573116968.db2.gz NROZARQHMDWSQQ-SSDOTTSWSA-N 0 3 190.250 1.378 10 0 ADAEHN Cc1cc(OCC2CC2)cc(CN)n1 308267347 573117005 /nfs/dbraw/zinc/11/70/05/573117005.db2.gz KPHNRKCBQYRTEE-UHFFFAOYSA-N 0 3 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1.227 10 0 ADAEHN CCC[C@H](N)c1ccncc1N 104661328 573137165 /nfs/dbraw/zinc/13/71/65/573137165.db2.gz KGSLSIBOGMNHAW-QMMMGPOBSA-N 0 3 165.240 1.464 10 0 ADAEHN CNCc1onc2cc(F)ccc12 257956448 573137168 /nfs/dbraw/zinc/13/71/68/573137168.db2.gz WWLBLXJPSHTDIU-UHFFFAOYSA-N 0 3 180.182 1.686 10 0 ADAEHN CCC(=O)[C@](C)(CC)N(C)C 85742979 573137179 /nfs/dbraw/zinc/13/71/79/573137179.db2.gz LOLVKWPPXIJYKN-VIFPVBQESA-N 0 3 157.257 1.696 10 0 ADAEHN CN[C@@H](C)c1cnc(CCOC)o1 257954921 573137252 /nfs/dbraw/zinc/13/72/52/573137252.db2.gz FZTRWDCGWQKVDF-ZETCQYMHSA-N 0 3 184.239 1.144 10 0 ADAEHN COc1ccc2c(c1F)OC[C@H]2N 104661048 573137204 /nfs/dbraw/zinc/13/72/04/573137204.db2.gz UIJRXKUNOKDZBC-ZCFIWIBFSA-N 0 3 183.182 1.227 10 0 ADAEHN N[C@@H]1COc2cc3[nH]ccc3cc21 104660995 573137218 /nfs/dbraw/zinc/13/72/18/573137218.db2.gz CEJPTHLDUDFWQA-MRVPVSSYSA-N 0 3 174.203 1.560 10 0 ADAEHN CO[C@@H](C)C[C@@H](N)c1c(C)cnn1C 308502352 573137220 /nfs/dbraw/zinc/13/72/20/573137220.db2.gz XDXODUCQAIZZQX-DTWKUNHWSA-N 0 3 197.282 1.153 10 0 ADAEHN CNCc1cnc(Cc2ccco2)o1 258235758 573137300 /nfs/dbraw/zinc/13/73/00/573137300.db2.gz VVRNHRRZLDCRJX-UHFFFAOYSA-N 0 3 192.218 1.578 10 0 ADAEHN CCN1CCC[C@H]1[C@H]1NC(C)(C)CO1 258535798 573137332 /nfs/dbraw/zinc/13/73/32/573137332.db2.gz NTNRUBIWNKZVRB-UWVGGRQHSA-N 0 3 198.310 1.195 10 0 ADAEHN CC(C)c1ncc(CN)c(C2CC2)n1 82636685 573137345 /nfs/dbraw/zinc/13/73/45/573137345.db2.gz JDEJILSGRRHGKX-UHFFFAOYSA-N 0 3 191.278 1.936 10 0 ADAEHN CC[C@@H](N)c1ccncc1N 104660189 573137385 /nfs/dbraw/zinc/13/73/85/573137385.db2.gz VTFYYOFSHPRMPC-SSDOTTSWSA-N 0 3 151.213 1.074 10 0 ADAEHN C[C@](F)(CN)[C@@H]1CCSC1 258535947 573137491 /nfs/dbraw/zinc/13/74/91/573137491.db2.gz NXNDKXDCQMCOGP-RQJHMYQMSA-N 0 3 163.261 1.426 10 0 ADAEHN Cc1ccc(-c2ocnc2CN)o1 82634502 573137517 /nfs/dbraw/zinc/13/75/17/573137517.db2.gz PHRFEMZREHMIFY-UHFFFAOYSA-N 0 3 178.191 1.702 10 0 ADAEHN CCOc1ncccc1[C@@H]1CCN1 104660631 573138996 /nfs/dbraw/zinc/13/89/96/573138996.db2.gz BMAQHQXOLGUALB-VIFPVBQESA-N 0 3 178.235 1.515 10 0 ADAEHN Cc1nc(C2CC2)ncc1CN 82632610 573137965 /nfs/dbraw/zinc/13/79/65/573137965.db2.gz IZOUZEKCHCMTFH-UHFFFAOYSA-N 0 3 163.224 1.121 10 0 ADAEHN C[C@@](F)(CN)C1=CCCC1 258535781 573138201 /nfs/dbraw/zinc/13/82/01/573138201.db2.gz NVQGTZYQWWCNNX-MRVPVSSYSA-N 0 3 143.205 1.784 10 0 ADAEHN Nc1ccncc1[C@H]1CCCCN1 104660136 573138071 /nfs/dbraw/zinc/13/80/71/573138071.db2.gz YFKZEZGIRYNUJD-SNVBAGLBSA-N 0 3 177.251 1.478 10 0 ADAEHN NCc1cnc(C2CCCC2)cn1 74306879 573138072 /nfs/dbraw/zinc/13/80/72/573138072.db2.gz GGTCRHKEWPUKTF-UHFFFAOYSA-N 0 3 177.251 1.593 10 0 ADAEHN CN[C@@H](CCCOC)c1ccncn1 69639612 573138136 /nfs/dbraw/zinc/13/81/36/573138136.db2.gz RCCAOPHNEQURQB-VIFPVBQESA-N 0 3 195.266 1.164 10 0 ADAEHN Nc1cc(CNC2CCCC2)ns1 257956197 573138155 /nfs/dbraw/zinc/13/81/55/573138155.db2.gz SURUGIBFUQCZLY-UHFFFAOYSA-N 0 3 197.307 1.758 10 0 ADAEHN COC[C@H](N)c1cccc(O)c1 104661428 573138158 /nfs/dbraw/zinc/13/81/58/573138158.db2.gz XCAQMLGHOCFMPA-VIFPVBQESA-N 0 3 167.208 1.038 10 0 ADAEHN Cc1cc2c(c(C)c1O)OC[C@H]2N 104659666 573138178 /nfs/dbraw/zinc/13/81/78/573138178.db2.gz CBRZMJVLJJZVEC-MRVPVSSYSA-N 0 3 179.219 1.401 10 0 ADAEHN C[C@H](N)c1ccsc1CO 104661820 573138253 /nfs/dbraw/zinc/13/82/53/573138253.db2.gz QZMPABXPUNQFHW-YFKPBYRVSA-N 0 3 157.238 1.260 10 0 ADAEHN C[C@@H](F)Oc1ccc2c(c1)CNC2 257956801 573138304 /nfs/dbraw/zinc/13/83/04/573138304.db2.gz IXSUBWPRXJWFAH-ZETCQYMHSA-N 0 3 181.210 1.984 10 0 ADAEHN CCN(CC)C(C)(C)C(C)=O 85738465 573138340 /nfs/dbraw/zinc/13/83/40/573138340.db2.gz REYOXEZRQXFJNU-UHFFFAOYSA-N 0 3 157.257 1.696 10 0 ADAEHN Cc1ccnc(C(=N)N2CCCC2)c1 82643926 573138342 /nfs/dbraw/zinc/13/83/42/573138342.db2.gz UUSVSHALFRCWJZ-UHFFFAOYSA-N 0 3 189.262 1.811 10 0 ADAEHN Nc1cccc([C@@H](N)C2CC2)n1 104662730 573139006 /nfs/dbraw/zinc/13/90/06/573139006.db2.gz QSIMGBDCWRVDRK-VIFPVBQESA-N 0 3 163.224 1.074 10 0 ADAEHN CNC[C@@](C)(F)C(F)(F)F 258535959 573138417 /nfs/dbraw/zinc/13/84/17/573138417.db2.gz NXPYQXHYOAXASM-SCSAIBSYSA-N 0 3 159.126 1.496 10 0 ADAEHN COc1cc2c(cc1F)[C@H](N)CO2 104661051 573138490 /nfs/dbraw/zinc/13/84/90/573138490.db2.gz SHCRTJWZIRYQDU-SSDOTTSWSA-N 0 3 183.182 1.227 10 0 ADAEHN C/C=C/CN1CCC[C@H](C(C)=O)C1 82644576 573138511 /nfs/dbraw/zinc/13/85/11/573138511.db2.gz RESXJBVSBDWZAJ-UFFNRZRYSA-N 0 3 181.279 1.864 10 0 ADAEHN COC[C@H](N)c1ccnc(C)c1 104660288 573138537 /nfs/dbraw/zinc/13/85/37/573138537.db2.gz VDWLXXGTIMQRTF-VIFPVBQESA-N 0 3 166.224 1.036 10 0 ADAEHN NC[C@H](F)COc1cccc(F)c1 257956465 573138551 /nfs/dbraw/zinc/13/85/51/573138551.db2.gz WWUKTVSGOLRZQN-QMMMGPOBSA-N 0 3 187.189 1.501 10 0 ADAEHN C[C@H](N)c1nc(F)c(F)cc1F 104661571 573138562 /nfs/dbraw/zinc/13/85/62/573138562.db2.gz BMQJZQGZRMRYIW-VKHMYHEASA-N 0 3 176.141 1.519 10 0 ADAEHN CC(=O)[C@H]1CCCN([C@@H]2CCOC2)C1 82644738 573139012 /nfs/dbraw/zinc/13/90/12/573139012.db2.gz NNMGLXIQKQNNRM-WDEREUQCSA-N 0 3 197.278 1.076 10 0 ADAEHN C[C@@](F)(CN)[C@H]1CCSC1 258535940 573138566 /nfs/dbraw/zinc/13/85/66/573138566.db2.gz NXNDKXDCQMCOGP-NKWVEPMBSA-N 0 3 163.261 1.426 10 0 ADAEHN CC[C@H](N)c1ccc(F)nc1F 104661798 573138606 /nfs/dbraw/zinc/13/86/06/573138606.db2.gz QUVMBHXINNLSRN-LURJTMIESA-N 0 3 172.178 1.770 10 0 ADAEHN CC(=O)[C@@H]1CCCN([C@@H]2CCOC2)C1 82644737 573138670 /nfs/dbraw/zinc/13/86/70/573138670.db2.gz NNMGLXIQKQNNRM-GHMZBOCLSA-N 0 3 197.278 1.076 10 0 ADAEHN C[C@@](F)(CN)[C@@H]1CCSC1 258535943 573138678 /nfs/dbraw/zinc/13/86/78/573138678.db2.gz NXNDKXDCQMCOGP-RNFRBKRXSA-N 0 3 163.261 1.426 10 0 ADAEHN CC[C@H](N)c1ccsc1CO 104661824 573138696 /nfs/dbraw/zinc/13/86/96/573138696.db2.gz SRNWJXCZPYLJPE-ZETCQYMHSA-N 0 3 171.265 1.650 10 0 ADAEHN NCc1cc(F)c2c[nH]nc2c1 259340791 573138720 /nfs/dbraw/zinc/13/87/20/573138720.db2.gz HHCFVVBPTWNUJV-UHFFFAOYSA-N 0 3 165.171 1.161 10 0 ADAEHN Nc1cc2c(cc1F)[C@@H](N)CCO2 104662146 573139020 /nfs/dbraw/zinc/13/90/20/573139020.db2.gz HBAFDDGXRDCSAI-ZETCQYMHSA-N 0 3 182.198 1.190 10 0 ADAEHN CO[C@H](C)C[C@H](N)c1c(C)cnn1C 308502351 573138728 /nfs/dbraw/zinc/13/87/28/573138728.db2.gz XDXODUCQAIZZQX-BDAKNGLRSA-N 0 3 197.282 1.153 10 0 ADAEHN CC[C@H](N)c1cccc(N)n1 104661582 573138760 /nfs/dbraw/zinc/13/87/60/573138760.db2.gz XAJAMDRHYHSLFN-LURJTMIESA-N 0 3 151.213 1.074 10 0 ADAEHN [NH3+][C@H]1CCOc2cc([O-])c(F)cc21 104659651 573138775 /nfs/dbraw/zinc/13/87/75/573138775.db2.gz UDJNABBFLBBNQO-ZETCQYMHSA-N 0 3 183.182 1.314 10 0 ADAEHN Cc1ccc(-n2ccc(CN)n2)cc1 82636008 573138777 /nfs/dbraw/zinc/13/87/77/573138777.db2.gz AZQXSFPSNFLQCD-UHFFFAOYSA-N 0 3 187.246 1.639 10 0 ADAEHN C[C@@H]1CN[C@H]([C@H]2CCCCS2)O1 258536090 573138787 /nfs/dbraw/zinc/13/87/87/573138787.db2.gz NWRLMZLHEMMGNO-HLTSFMKQSA-N 0 3 187.308 1.607 10 0 ADAEHN CO[C@@H](C)C[C@H](N)c1c(C)cnn1C 308502353 573138818 /nfs/dbraw/zinc/13/88/18/573138818.db2.gz XDXODUCQAIZZQX-IUCAKERBSA-N 0 3 197.282 1.153 10 0 ADAEHN CCC[C@@H](N)c1ccncc1N 104661331 573138826 /nfs/dbraw/zinc/13/88/26/573138826.db2.gz KGSLSIBOGMNHAW-MRVPVSSYSA-N 0 3 165.240 1.464 10 0 ADAEHN C[C@@H]1CN[C@@H]([C@H]2CCCCS2)O1 258536095 573138827 /nfs/dbraw/zinc/13/88/27/573138827.db2.gz NWRLMZLHEMMGNO-IWSPIJDZSA-N 0 3 187.308 1.607 10 0 ADAEHN CN(C)C(=O)Nc1ccccc1CN 82637005 573138864 /nfs/dbraw/zinc/13/88/64/573138864.db2.gz QCYQAXDKYKQZSQ-UHFFFAOYSA-N 0 3 193.250 1.239 10 0 ADAEHN COC[C@@H](N)c1cc(O)ccc1C 104661445 573138867 /nfs/dbraw/zinc/13/88/67/573138867.db2.gz YPAGNRGDARPKLY-SNVBAGLBSA-N 0 3 181.235 1.347 10 0 ADAEHN C[C@@H](N)c1ccsc1CO 104662577 573138890 /nfs/dbraw/zinc/13/88/90/573138890.db2.gz QZMPABXPUNQFHW-RXMQYKEDSA-N 0 3 157.238 1.260 10 0 ADAEHN CNC(=O)Nc1ccc(F)cc1CN 82638074 573138899 /nfs/dbraw/zinc/13/88/99/573138899.db2.gz UQUSEXMYGVITRN-UHFFFAOYSA-N 0 3 197.213 1.036 10 0 ADAEHN NC[C@@H](F)COc1cccc(F)c1 257956461 573138915 /nfs/dbraw/zinc/13/89/15/573138915.db2.gz WWUKTVSGOLRZQN-MRVPVSSYSA-N 0 3 187.189 1.501 10 0 ADAEHN Nc1cnccc1[C@H](N)C1CC1 104661349 573138955 /nfs/dbraw/zinc/13/89/55/573138955.db2.gz KRUZYCIFLNUBHR-SECBINFHSA-N 0 3 163.224 1.074 10 0 ADAEHN Cc1ccc(C=O)c(C2(N)CC2)c1 257956550 573138962 /nfs/dbraw/zinc/13/89/62/573138962.db2.gz GHPQANSKZGATOG-UHFFFAOYSA-N 0 3 175.231 1.755 10 0 ADAEHN [NH3+][C@H]1CCc2c(ccc([O-])c2F)C1 104661100 573138968 /nfs/dbraw/zinc/13/89/68/573138968.db2.gz HBZCZSKDXAGSKH-ZETCQYMHSA-N 0 3 181.210 1.347 10 0 ADAEHN CC[C@@H]1N[C@H](C)CC(=O)[C@@H]1C 238289025 573138969 /nfs/dbraw/zinc/13/89/69/573138969.db2.gz ZYKDQVBKWBIVCS-PRJMDXOYSA-N 0 3 155.241 1.352 10 0 ADAEHN CCc1nc2cc(CN)ccn2c1C 82636311 573139197 /nfs/dbraw/zinc/13/91/97/573139197.db2.gz UTSOEGKCVXWWKM-UHFFFAOYSA-N 0 3 189.262 1.664 10 0 ADAEHN Cc1nc(-c2ccco2)ncc1CN 82636228 573139072 /nfs/dbraw/zinc/13/90/72/573139072.db2.gz WNTBLEXMVMFBII-UHFFFAOYSA-N 0 3 189.218 1.504 10 0 ADAEHN Nc1cnccc1[C@H]1CCCCN1 104662507 573139083 /nfs/dbraw/zinc/13/90/83/573139083.db2.gz CNZWWYDKCICFPS-SNVBAGLBSA-N 0 3 177.251 1.478 10 0 ADAEHN CC[C@@H]1OC(=O)C[C@H]2CCC[C@@H]1N2 238289579 573139113 /nfs/dbraw/zinc/13/91/13/573139113.db2.gz MKMNKXZQFUYAHN-VGMNWLOBSA-N 0 3 183.251 1.223 10 0 ADAEHN CCn1nc(N)cc1CNC1CCC1 257956146 573139136 /nfs/dbraw/zinc/13/91/36/573139136.db2.gz STZKTUNTKZIBCA-UHFFFAOYSA-N 0 3 194.282 1.127 10 0 ADAEHN C/C=C/CN1CCC(C(C)=O)CC1 82644782 573139143 /nfs/dbraw/zinc/13/91/43/573139143.db2.gz PRCWECXVBHAASM-ONEGZZNKSA-N 0 3 181.279 1.864 10 0 ADAEHN CC[C@H](C)n1cc(CN)c(C)n1 82633131 573139153 /nfs/dbraw/zinc/13/91/53/573139153.db2.gz AJCYIIPMAOLYLC-ZETCQYMHSA-N 0 3 167.256 1.621 10 0 ADAEHN CC(C)[C@H](N)c1cc(CO)ccn1 104661523 573139180 /nfs/dbraw/zinc/13/91/80/573139180.db2.gz GVBWKDIFOXAOCY-JTQLQIEISA-N 0 3 180.251 1.230 10 0 ADAEHN COC[C@@H](N)c1ccc(O)cc1C 104661438 573139240 /nfs/dbraw/zinc/13/92/40/573139240.db2.gz CDJUNVRTSDCIBL-SNVBAGLBSA-N 0 3 181.235 1.347 10 0 ADAEHN Cc1cc2c(c(C)c1O)OC[C@@H]2N 104662259 573139281 /nfs/dbraw/zinc/13/92/81/573139281.db2.gz CBRZMJVLJJZVEC-QMMMGPOBSA-N 0 3 179.219 1.401 10 0 ADAEHN Cc1ccnc(C(=N)NCC(C)C)c1 82643922 573139286 /nfs/dbraw/zinc/13/92/86/573139286.db2.gz DQOVBSASKMYWAN-UHFFFAOYSA-N 0 3 191.278 1.961 10 0 ADAEHN Clc1ccncc1[C@@H]1CCN1 104660052 573139563 /nfs/dbraw/zinc/13/95/63/573139563.db2.gz SOCDKCGQYYSVMX-QMMMGPOBSA-N 0 3 168.627 1.769 10 0 ADAEHN COC[C@H](N)c1cccc(F)c1C 104660272 573139609 /nfs/dbraw/zinc/13/96/09/573139609.db2.gz RYVCVCADPGAYHE-JTQLQIEISA-N 0 3 183.226 1.780 10 0 ADAEHN Cc1nc(CC(C)C)ncc1CN 82634868 573139644 /nfs/dbraw/zinc/13/96/44/573139644.db2.gz QCNQOGBMQPDMTC-UHFFFAOYSA-N 0 3 179.267 1.442 10 0 ADAEHN O=c1ccc([C@H]2CC[NH2+]2)c(Cl)[n-]1 104660787 573139831 /nfs/dbraw/zinc/13/98/31/573139831.db2.gz VZKHTNGATUJLRI-ZCFIWIBFSA-N 0 3 184.626 1.475 10 0 ADAEHN COC[C@H](N)c1cc(C)oc1C 104662650 573139861 /nfs/dbraw/zinc/13/98/61/573139861.db2.gz JMYHJTSOHXGHFD-VIFPVBQESA-N 0 3 169.224 1.543 10 0 ADAEHN Cc1cc(Cn2cccc2CN)on1 82637809 573139868 /nfs/dbraw/zinc/13/98/68/573139868.db2.gz VRGNYUQNBXNQHY-UHFFFAOYSA-N 0 3 191.234 1.292 10 0 ADAEHN CNc1nc(C(C)C)c(C)[nH]1 258549646 573139882 /nfs/dbraw/zinc/13/98/82/573139882.db2.gz KQZBCAGFAVNPTK-UHFFFAOYSA-N 0 3 153.229 1.883 10 0 ADAEHN CNc1nc(C)c(C(C)C)[nH]1 258549646 573139889 /nfs/dbraw/zinc/13/98/89/573139889.db2.gz KQZBCAGFAVNPTK-UHFFFAOYSA-N 0 3 153.229 1.883 10 0 ADAEHN COc1cc2c(cc1F)OC[C@H]2N 104659778 573139897 /nfs/dbraw/zinc/13/98/97/573139897.db2.gz CGMBEBPPMRWQTO-SSDOTTSWSA-N 0 3 183.182 1.227 10 0 ADAEHN COCc1ccc(OC)c([C@@H](C)N)c1 257955917 573139906 /nfs/dbraw/zinc/13/99/06/573139906.db2.gz BITXPHORMNXGGT-MRVPVSSYSA-N 0 3 195.262 1.861 10 0 ADAEHN CCc1ncc(CN)c(CC)n1 82632812 573139923 /nfs/dbraw/zinc/13/99/23/573139923.db2.gz AYQPQJJLWLCFMA-UHFFFAOYSA-N 0 3 165.240 1.060 10 0 ADAEHN CN1CCC(C[C@H](F)CO)CC1 257953445 573140012 /nfs/dbraw/zinc/14/00/12/573140012.db2.gz WLGFRECNJHMAJV-VIFPVBQESA-N 0 3 175.247 1.049 10 0 ADAEHN CCc1nc(C(C)(C)C)ncc1CN 82637137 573139970 /nfs/dbraw/zinc/13/99/70/573139970.db2.gz KXFWMHKIZKDZDB-UHFFFAOYSA-N 0 3 193.294 1.795 10 0 ADAEHN CC(C)[C@@H](N)c1ccncc1N 104660200 573140025 /nfs/dbraw/zinc/14/00/25/573140025.db2.gz OUXRIGQZMHUBJS-SECBINFHSA-N 0 3 165.240 1.320 10 0 ADAEHN CCc1nc(C(C)C)ncc1CN 82634869 573140080 /nfs/dbraw/zinc/14/00/80/573140080.db2.gz GJIYVSOWCQEKMB-UHFFFAOYSA-N 0 3 179.267 1.621 10 0 ADAEHN CO[C@H](C)C[C@@H](N)c1c(C)cnn1C 308502354 573140103 /nfs/dbraw/zinc/14/01/03/573140103.db2.gz XDXODUCQAIZZQX-RKDXNWHRSA-N 0 3 197.282 1.153 10 0 ADAEHN Cc1cc(Cn2cccc2CN)no1 82637808 573140117 /nfs/dbraw/zinc/14/01/17/573140117.db2.gz AEDWHLYYYZOYSA-UHFFFAOYSA-N 0 3 191.234 1.292 10 0 ADAEHN COc1c(F)ccc2c1OC[C@@H]2N 104659784 573140211 /nfs/dbraw/zinc/14/02/11/573140211.db2.gz CGZJGDPVXQXJRW-ZETCQYMHSA-N 0 3 183.182 1.227 10 0 ADAEHN CN[C@H]1CCOc2ccc(N)cc21 257953408 573140212 /nfs/dbraw/zinc/14/02/12/573140212.db2.gz WKPSMCWCNJWPSM-VIFPVBQESA-N 0 3 178.235 1.312 10 0 ADAEHN CC(C)c1nc(C2CC2)ncc1CN 82636684 573140229 /nfs/dbraw/zinc/14/02/29/573140229.db2.gz SPVHLBXGGZYDFO-UHFFFAOYSA-N 0 3 191.278 1.936 10 0 ADAEHN COCc1ccc(OC)c([C@H](C)N)c1 257955918 573140230 /nfs/dbraw/zinc/14/02/30/573140230.db2.gz BITXPHORMNXGGT-QMMMGPOBSA-N 0 3 195.262 1.861 10 0 ADAEHN Nc1cnccc1[C@H](N)CC1CC1 104661371 573140252 /nfs/dbraw/zinc/14/02/52/573140252.db2.gz ORUQBZLPIUMNMF-SECBINFHSA-N 0 3 177.251 1.464 10 0 ADAEHN Cc1ccnc([C@H](N)[C@@H]2CCOC2)c1 82643641 573140300 /nfs/dbraw/zinc/14/03/00/573140300.db2.gz USXNLPOANCOHCH-MWLCHTKSSA-N 0 3 192.262 1.426 10 0 ADAEHN CCc1c(F)ccc2c1OC[C@@H]2N 238299751 573140323 /nfs/dbraw/zinc/14/03/23/573140323.db2.gz SYVJTZSENODYRU-VIFPVBQESA-N 0 3 181.210 1.780 10 0 ADAEHN CN[C@H](C)c1cc(C)ccn1 82643768 573140344 /nfs/dbraw/zinc/14/03/44/573140344.db2.gz AJGWERUMBDIKCR-MRVPVSSYSA-N 0 3 150.225 1.670 10 0 ADAEHN Cc1cc2c(cc1F)OC[C@H]2N 104660980 573140367 /nfs/dbraw/zinc/14/03/67/573140367.db2.gz HDUCQCQMWRZQGM-MRVPVSSYSA-N 0 3 167.183 1.526 10 0 ADAEHN Cc1ccoc1-c1ocnc1CN 82634500 573140370 /nfs/dbraw/zinc/14/03/70/573140370.db2.gz QCDMQDFJZKIUEO-UHFFFAOYSA-N 0 3 178.191 1.702 10 0 ADAEHN NCc1ccc(Cl)c2c1OCO2 257955937 573140375 /nfs/dbraw/zinc/14/03/75/573140375.db2.gz BJGOYHZMYGCYGG-UHFFFAOYSA-N 0 3 185.610 1.527 10 0 ADAEHN COC[C@H](N)c1ccc(O)cc1C 104661441 573140378 /nfs/dbraw/zinc/14/03/78/573140378.db2.gz CDJUNVRTSDCIBL-JTQLQIEISA-N 0 3 181.235 1.347 10 0 ADAEHN CCc1nc(C2CC2)ncc1CN 82634484 573140382 /nfs/dbraw/zinc/14/03/82/573140382.db2.gz NCLTVLAXJSYIRZ-UHFFFAOYSA-N 0 3 177.251 1.375 10 0 ADAEHN COc1n[nH]c(C(C)C)c1CN 257954898 573140410 /nfs/dbraw/zinc/14/04/10/573140410.db2.gz MRKQQHZBZXENBF-UHFFFAOYSA-N 0 3 169.228 1.000 10 0 ADAEHN Cc1ccnc(C(=N)NC2CC2)c1 82643920 573140445 /nfs/dbraw/zinc/14/04/45/573140445.db2.gz UPZODWPPCOZWPP-UHFFFAOYSA-N 0 3 175.235 1.467 10 0 ADAEHN C[C@H](F)Oc1ccc2c(c1)CNC2 257956799 573140447 /nfs/dbraw/zinc/14/04/47/573140447.db2.gz IXSUBWPRXJWFAH-SSDOTTSWSA-N 0 3 181.210 1.984 10 0 ADAEHN COC[C@H](N)c1ccc(N)cc1C 104662614 573140501 /nfs/dbraw/zinc/14/05/01/573140501.db2.gz CBENMHXERAIHIC-JTQLQIEISA-N 0 3 180.251 1.223 10 0 ADAEHN Cc1nc(C(C)C)ncc1CN 82632794 573140530 /nfs/dbraw/zinc/14/05/30/573140530.db2.gz MFLDTRYMRZMSOB-UHFFFAOYSA-N 0 3 165.240 1.367 10 0 ADAEHN Nc1ccc2c(c1F)OCC[C@@H]2N 104662151 573140591 /nfs/dbraw/zinc/14/05/91/573140591.db2.gz ZBEVSHRDBPOGKL-LURJTMIESA-N 0 3 182.198 1.190 10 0 ADAEHN Cc1ccnc([C@@H](N)[C@H]2CCOC2)c1 82643644 573140605 /nfs/dbraw/zinc/14/06/05/573140605.db2.gz USXNLPOANCOHCH-ONGXEEELSA-N 0 3 192.262 1.426 10 0 ADAEHN CN(C)c1cccc2c1OC[C@H]2N 104659681 573140627 /nfs/dbraw/zinc/14/06/27/573140627.db2.gz XZTTVHRLPQQXDD-MRVPVSSYSA-N 0 3 178.235 1.145 10 0 ADAEHN CNC(=O)Nc1cccc(F)c1CN 82638073 573140628 /nfs/dbraw/zinc/14/06/28/573140628.db2.gz UQCQTCXIECNRSD-UHFFFAOYSA-N 0 3 197.213 1.036 10 0 ADAEHN OC1([C@H]2NCc3ccccc32)CCC1 85754372 573140635 /nfs/dbraw/zinc/14/06/35/573140635.db2.gz FPZBLYIASKRDGN-NSHDSACASA-N 0 3 189.258 1.746 10 0 ADAEHN Cc1ccnc(-c2nc(CN)c[nH]2)c1 82643907 573140643 /nfs/dbraw/zinc/14/06/43/573140643.db2.gz VCIGWKNVCWXXDK-UHFFFAOYSA-N 0 3 188.234 1.239 10 0 ADAEHN NC[C@@]1(F)CCc2c(F)cccc21 257956511 573140691 /nfs/dbraw/zinc/14/06/91/573140691.db2.gz WYBFNJPLIKKOKQ-JTQLQIEISA-N 0 3 183.201 1.895 10 0 ADAEHN CC[C@H]1CCC([O-])=C(C)C1=O 238289547 573140711 /nfs/dbraw/zinc/14/07/11/573140711.db2.gz BOMBXEUKFJKRDK-BQBZGAKWSA-N 0 3 154.209 1.581 10 0 ADAEHN CC[C@H]1CCC(=O)C(C)C1=O 238289547 573140716 /nfs/dbraw/zinc/14/07/16/573140716.db2.gz BOMBXEUKFJKRDK-BQBZGAKWSA-N 0 3 154.209 1.581 10 0 ADAEHN Cc1ccc([C@H](N)CO)c(C)c1O 257955859 573140731 /nfs/dbraw/zinc/14/07/31/573140731.db2.gz GEYCUDMTOIJQCB-SECBINFHSA-N 0 3 181.235 1.001 10 0 ADAEHN COC[C@@H](N)c1cccc(O)c1 104660848 573140760 /nfs/dbraw/zinc/14/07/60/573140760.db2.gz XCAQMLGHOCFMPA-SECBINFHSA-N 0 3 167.208 1.038 10 0 ADAEHN CCCNC(=N)c1cc(C)ccn1 82643918 573140772 /nfs/dbraw/zinc/14/07/72/573140772.db2.gz WDFBLWQWXTXCTM-UHFFFAOYSA-N 0 3 177.251 1.715 10 0 ADAEHN c1nn(C2CCC2)c2c1CNCC2 257956321 573140789 /nfs/dbraw/zinc/14/07/89/573140789.db2.gz WVGLDVKCGNNOAN-UHFFFAOYSA-N 0 3 177.251 1.254 10 0 ADAEHN N[C@@H]1COc2c1ccc1[nH]ccc21 104660989 573140803 /nfs/dbraw/zinc/14/08/03/573140803.db2.gz GKPWAKTVBIYAPH-MRVPVSSYSA-N 0 3 174.203 1.560 10 0 ADAEHN CCC[C@H](N)c1cccc(N)n1 104662718 573140817 /nfs/dbraw/zinc/14/08/17/573140817.db2.gz KSXFEGNOYAEZFA-ZETCQYMHSA-N 0 3 165.240 1.464 10 0 ADAEHN CCc1cc([C@@H](N)O)ccc1OC 259601684 573140828 /nfs/dbraw/zinc/14/08/28/573140828.db2.gz XBZQJXVLTMTQFO-JTQLQIEISA-N 0 3 181.235 1.207 10 0 ADAEHN CCc1cnc(OC)c(CN)c1 258537685 573140928 /nfs/dbraw/zinc/14/09/28/573140928.db2.gz OEJWIEIPBVQPCA-UHFFFAOYSA-N 0 3 166.224 1.111 10 0 ADAEHN CC(=O)C1CCN(CC(C)(C)O)CC1 82644826 573140849 /nfs/dbraw/zinc/14/08/49/573140849.db2.gz TZNSPWHAPYWOSA-UHFFFAOYSA-N 0 3 199.294 1.058 10 0 ADAEHN CN[C@@H](C)c1cc(C)ccn1 82643769 573140919 /nfs/dbraw/zinc/14/09/19/573140919.db2.gz AJGWERUMBDIKCR-QMMMGPOBSA-N 0 3 150.225 1.670 10 0 ADAEHN CN(C)Cc1ccc(C2(O)CC2)cc1 257955902 573140884 /nfs/dbraw/zinc/14/08/84/573140884.db2.gz BIOVHTVGBGHYGA-UHFFFAOYSA-N 0 3 191.274 1.730 10 0 ADAEHN CCc1c(F)ccc2c1[C@@H](N)CO2 238299682 573140998 /nfs/dbraw/zinc/14/09/98/573140998.db2.gz OXBZTBOCHJJMHU-QMMMGPOBSA-N 0 3 181.210 1.780 10 0 ADAEHN CC(C)n1ncc(CN)c1C1CC1 82634849 573141038 /nfs/dbraw/zinc/14/10/38/573141038.db2.gz KLLUKACBUKSWSP-UHFFFAOYSA-N 0 3 179.267 1.800 10 0 ADAEHN CCc1cc([C@H](N)O)ccc1OC 259601688 573141065 /nfs/dbraw/zinc/14/10/65/573141065.db2.gz XBZQJXVLTMTQFO-SNVBAGLBSA-N 0 3 181.235 1.207 10 0 ADAEHN Cc1ccnc(C(=N)NC(C)C)c1 82643919 573141199 /nfs/dbraw/zinc/14/11/99/573141199.db2.gz QMTCHEQUUMGXNS-UHFFFAOYSA-N 0 3 177.251 1.713 10 0 ADAEHN C[C@@H](N)c1ncc(Cl)cc1N 104664936 573145985 /nfs/dbraw/zinc/14/59/85/573145985.db2.gz DOQNQCFGJCPMLT-SCSAIBSYSA-N 0 3 171.631 1.337 10 0 ADAEHN CCNC(=N)c1cc(C)ccn1 82643916 573141240 /nfs/dbraw/zinc/14/12/40/573141240.db2.gz TYSRIEIALLRIDR-UHFFFAOYSA-N 0 3 163.224 1.325 10 0 ADAEHN CC[C@@H](C)n1cc(CN)c(C)n1 82633130 573141257 /nfs/dbraw/zinc/14/12/57/573141257.db2.gz AJCYIIPMAOLYLC-SSDOTTSWSA-N 0 3 167.256 1.621 10 0 ADAEHN C/C=C/CN1CCC[C@@H](C(C)=O)C1 82644577 573141322 /nfs/dbraw/zinc/14/13/22/573141322.db2.gz RESXJBVSBDWZAJ-PGLGOXFNSA-N 0 3 181.279 1.864 10 0 ADAEHN NC1(c2ncc3ccccn23)CC1 257735300 573141332 /nfs/dbraw/zinc/14/13/32/573141332.db2.gz YZZWRXTXSUTTOW-UHFFFAOYSA-N 0 3 173.219 1.282 10 0 ADAEHN CC[C@H]1CCC([O-])=C(C)C1=O 238289455 573141549 /nfs/dbraw/zinc/14/15/49/573141549.db2.gz BOMBXEUKFJKRDK-RQJHMYQMSA-N 0 3 154.209 1.581 10 0 ADAEHN CC[C@H]1CCC(=O)C(C)C1=O 238289455 573141553 /nfs/dbraw/zinc/14/15/53/573141553.db2.gz BOMBXEUKFJKRDK-RQJHMYQMSA-N 0 3 154.209 1.581 10 0 ADAEHN CCCc1ccc(C2(N)COC2)cc1 259341958 573141562 /nfs/dbraw/zinc/14/15/62/573141562.db2.gz SYFPHIDFBOHIKG-UHFFFAOYSA-N 0 3 191.274 1.823 10 0 ADAEHN CCOc1ccc(N)c(CN)c1 82632915 573141606 /nfs/dbraw/zinc/14/16/06/573141606.db2.gz IJSYKEVZKSCUSE-UHFFFAOYSA-N 0 3 166.224 1.126 10 0 ADAEHN CCSC1(N)CC1 259341325 573141676 /nfs/dbraw/zinc/14/16/76/573141676.db2.gz XUYHILKMDAFPBV-UHFFFAOYSA-N 0 3 117.217 1.188 10 0 ADAEHN CCn1ncnc1[C@@H](N)[C@H](C)C1CC1 308503075 573141726 /nfs/dbraw/zinc/14/17/26/573141726.db2.gz XNODWASDDVTAPH-APPZFPTMSA-N 0 3 194.282 1.344 10 0 ADAEHN CN(C)Cc1cccc2nccn12 89201197 573141754 /nfs/dbraw/zinc/14/17/54/573141754.db2.gz JGUPWLCHCPCPHR-UHFFFAOYSA-N 0 3 175.235 1.396 10 0 ADAEHN C[C@H](O)[C@@H](C)N(C)Cc1ccc[nH]1 308281393 573141790 /nfs/dbraw/zinc/14/17/90/573141790.db2.gz XEEXBIHQLHAIPR-BDAKNGLRSA-N 0 3 182.267 1.216 10 0 ADAEHN C[NH2+]Cc1coc2cccc([O-])c12 258549873 573141927 /nfs/dbraw/zinc/14/19/27/573141927.db2.gz HWNQWJOBDIJQIY-UHFFFAOYSA-N 0 3 177.203 1.858 10 0 ADAEHN Cc1ccc2c(c1O)OC[C@H]2N 104664749 573141931 /nfs/dbraw/zinc/14/19/31/573141931.db2.gz PIQHEIRNSKFQLD-SSDOTTSWSA-N 0 3 165.192 1.093 10 0 ADAEHN CCc1c(F)ccc2c1[C@H](N)CO2 238299668 573141919 /nfs/dbraw/zinc/14/19/19/573141919.db2.gz OXBZTBOCHJJMHU-MRVPVSSYSA-N 0 3 181.210 1.780 10 0 ADAEHN C[C@@H](O)[C@@H](C)N(C)Cc1ccc[nH]1 308281396 573141992 /nfs/dbraw/zinc/14/19/92/573141992.db2.gz XEEXBIHQLHAIPR-RKDXNWHRSA-N 0 3 182.267 1.216 10 0 ADAEHN CCc1cn2cc(CN)sc2n1 238299350 573141998 /nfs/dbraw/zinc/14/19/98/573141998.db2.gz RMIGBHHHNLMDAB-UHFFFAOYSA-N 0 3 181.264 1.417 10 0 ADAEHN CC(C)OCCN1CCC[C@@H]2C[C@@H]21 308281785 573142024 /nfs/dbraw/zinc/14/20/24/573142024.db2.gz XFPXUNGNCVUKMC-MNOVXSKESA-N 0 3 183.295 1.896 10 0 ADAEHN CCn1ncc(CN)c1C(C)C 82633133 573142026 /nfs/dbraw/zinc/14/20/26/573142026.db2.gz OCVVHJXOLPGTKE-UHFFFAOYSA-N 0 3 167.256 1.485 10 0 ADAEHN Cc1ccc(O)cc1[C@H](N)[C@@H](C)O 104664376 573142053 /nfs/dbraw/zinc/14/20/53/573142053.db2.gz BIADSOGROYJBSL-GMSGAONNSA-N 0 3 181.235 1.081 10 0 ADAEHN Cc1ccc(N(C)C)c(CN)c1 82632699 573142066 /nfs/dbraw/zinc/14/20/66/573142066.db2.gz QKDZCYWMXSOLFM-UHFFFAOYSA-N 0 3 164.252 1.520 10 0 ADAEHN Nc1cc(Cl)cnc1[C@@H]1CCN1 104664950 573142148 /nfs/dbraw/zinc/14/21/48/573142148.db2.gz BXBUSKAVURNOJI-ZETCQYMHSA-N 0 3 183.642 1.352 10 0 ADAEHN Cc1c(O)cccc1[C@H](N)[C@@H](C)O 104664390 573142209 /nfs/dbraw/zinc/14/22/09/573142209.db2.gz GJVLAVGYPRDBNQ-GMSGAONNSA-N 0 3 181.235 1.081 10 0 ADAEHN CC(C)SC[C@@H](CO)N(C)C 225268887 573142233 /nfs/dbraw/zinc/14/22/33/573142233.db2.gz JENNLEAEADMNSH-MRVPVSSYSA-N 0 3 177.313 1.051 10 0 ADAEHN COC(=O)CCN1CCC[C@@H]2C[C@@H]21 308281346 573142253 /nfs/dbraw/zinc/14/22/53/573142253.db2.gz XYYIRNRLEHINGQ-BDAKNGLRSA-N 0 3 183.251 1.034 10 0 ADAEHN CCc1nnc(C(C)C)cc1CN 238289574 573142296 /nfs/dbraw/zinc/14/22/96/573142296.db2.gz JXARCUPIEDVSOV-UHFFFAOYSA-N 0 3 179.267 1.621 10 0 ADAEHN CN1CCC(c2c[nH]c(Cl)n2)CC1 258549002 573142313 /nfs/dbraw/zinc/14/23/13/573142313.db2.gz OGPZWGFTVSNACJ-UHFFFAOYSA-N 0 3 199.685 1.872 10 0 ADAEHN OC1([C@@H]2NCc3ccccc32)CCC1 85754374 573142322 /nfs/dbraw/zinc/14/23/22/573142322.db2.gz FPZBLYIASKRDGN-LLVKDONJSA-N 0 3 189.258 1.746 10 0 ADAEHN COC[C@H](N)c1c(C)cccc1F 104663926 573142349 /nfs/dbraw/zinc/14/23/49/573142349.db2.gz LWWNGPBLLCVMDF-VIFPVBQESA-N 0 3 183.226 1.780 10 0 ADAEHN CCn1nc(CN)cc1C(C)C 258537463 573142362 /nfs/dbraw/zinc/14/23/62/573142362.db2.gz OBMOUZMRFKTBOJ-UHFFFAOYSA-N 0 3 167.256 1.485 10 0 ADAEHN C[C@@H]1C[C@@H](O)CN(C/C=C\Cl)C1 401941285 573142567 /nfs/dbraw/zinc/14/25/67/573142567.db2.gz HGEVVRYEEUWSAL-BNEREYBLSA-N 0 3 189.686 1.442 10 0 ADAEHN Cc1cnc(CNCCC(C)C)n1C 308503767 573142589 /nfs/dbraw/zinc/14/25/89/573142589.db2.gz HULIRMMUOBRNSI-UHFFFAOYSA-N 0 3 195.310 1.864 10 0 ADAEHN CC(=O)[C@@H]1CCCCN1C(C)C 82644988 573142783 /nfs/dbraw/zinc/14/27/83/573142783.db2.gz XYLSIJCDPNVMRY-JTQLQIEISA-N 0 3 169.268 1.838 10 0 ADAEHN CC(=O)[C@H]1CCCCN1CC1CC1 82645184 573142946 /nfs/dbraw/zinc/14/29/46/573142946.db2.gz NXQQHFSEWVTWAE-LLVKDONJSA-N 0 3 181.279 1.840 10 0 ADAEHN C=Cc1ccc2c(c1)[C@H](N)CO2 104663378 573143013 /nfs/dbraw/zinc/14/30/13/573143013.db2.gz QCHYZHYFISROTB-SECBINFHSA-N 0 3 161.204 1.722 10 0 ADAEHN CN1CCC[C@H]1c1ccc(CO)nc1 114939985 573143124 /nfs/dbraw/zinc/14/31/24/573143124.db2.gz HJDCNAJYPGRVAD-NSHDSACASA-N 0 3 192.262 1.341 10 0 ADAEHN N[C@@H]1COc2cc3cc[nH]c3cc21 104663371 573143150 /nfs/dbraw/zinc/14/31/50/573143150.db2.gz YKZCXWBZTNSOGS-MRVPVSSYSA-N 0 3 174.203 1.560 10 0 ADAEHN CC[C@H](C(=O)OC)[C@@H](N)c1ccc[nH]1 259343559 573143181 /nfs/dbraw/zinc/14/31/81/573143181.db2.gz JLSAOWOUNFCVNH-IONNQARKSA-N 0 3 196.250 1.214 10 0 ADAEHN Cc1ccc([C@@H](N)[C@H](C)O)cc1O 104662814 573143211 /nfs/dbraw/zinc/14/32/11/573143211.db2.gz ILJNWXNGTIJVPJ-XVKPBYJWSA-N 0 3 181.235 1.081 10 0 ADAEHN CC[C@H](N)c1cccnc1OC 104664106 573143239 /nfs/dbraw/zinc/14/32/39/573143239.db2.gz RVHGKBNPMSJRAO-QMMMGPOBSA-N 0 3 166.224 1.500 10 0 ADAEHN CC[C@H](C)C[C@@H](N)c1ccnnc1 162473399 573143286 /nfs/dbraw/zinc/14/32/86/573143286.db2.gz ZDFFQSXYXMQTES-WCBMZHEXSA-N 0 3 179.267 1.913 10 0 ADAEHN CC[C@@H](N)c1cccc(C=O)n1 104665145 573143420 /nfs/dbraw/zinc/14/34/20/573143420.db2.gz JSBKKYNNJRJIMS-MRVPVSSYSA-N 0 3 164.208 1.304 10 0 ADAEHN CC(C)[C@@H](N)c1cccc(C=O)n1 104665153 573143433 /nfs/dbraw/zinc/14/34/33/573143433.db2.gz NAOPQNUYUCCFKV-SNVBAGLBSA-N 0 3 178.235 1.550 10 0 ADAEHN CC(=O)C1CCN([C@H]2CCOC2)CC1 82644880 573143466 /nfs/dbraw/zinc/14/34/66/573143466.db2.gz WJEGQSOONOMSDB-NSHDSACASA-N 0 3 197.278 1.076 10 0 ADAEHN CC[C@@H]1CCCC[C@H]1N1CC(O)C1 82658730 573143495 /nfs/dbraw/zinc/14/34/95/573143495.db2.gz AKKWHBGJDZRHIO-MWLCHTKSSA-N 0 3 183.295 1.632 10 0 ADAEHN CCc1ccc2c(c1)COC[C@@H]2N 238290682 573143508 /nfs/dbraw/zinc/14/35/08/573143508.db2.gz GXCKHBDKFNXKNR-NSHDSACASA-N 0 3 177.247 1.779 10 0 ADAEHN Nc1ccc2c(c1Cl)OC[C@H]2N 104665906 573143685 /nfs/dbraw/zinc/14/36/85/573143685.db2.gz HSKYJJYQURLHQK-ZCFIWIBFSA-N 0 3 184.626 1.314 10 0 ADAEHN CC[C@@H]1CC(=O)C[C@@H](C)N1 225299714 573143745 /nfs/dbraw/zinc/14/37/45/573143745.db2.gz XQXBRKWEGFASOK-RNFRBKRXSA-N 0 3 141.214 1.106 10 0 ADAEHN CCc1ccc2c(c1)CCN[C@@H]2CO 238290542 573143801 /nfs/dbraw/zinc/14/38/01/573143801.db2.gz HHNXNPYLWWHWHZ-GFCCVEGCSA-N 0 3 191.274 1.428 10 0 ADAEHN OCc1sccc1[C@H]1CCN1 104665175 573143802 /nfs/dbraw/zinc/14/38/02/573143802.db2.gz IMNACQZURJMDGV-SSDOTTSWSA-N 0 3 169.249 1.275 10 0 ADAEHN CC[C@H](N)c1cccc(F)n1 104665088 573143872 /nfs/dbraw/zinc/14/38/72/573143872.db2.gz XUYFMMQPJMBCMW-LURJTMIESA-N 0 3 154.188 1.631 10 0 ADAEHN Cn1ncc2cc(Cl)c(CN)cc21 259343739 573143949 /nfs/dbraw/zinc/14/39/49/573143949.db2.gz HJQAYZQPVJXFPA-UHFFFAOYSA-N 0 3 195.653 1.685 10 0 ADAEHN CC[C@@H]1ON=C2[C@@H]1CCN[C@@H]2C(C)C 238291162 573143967 /nfs/dbraw/zinc/14/39/67/573143967.db2.gz FATMBHIGGVSLFV-KXUCPTDWSA-N 0 3 196.294 1.785 10 0 ADAEHN CC(=O)CN(C)C[C@@H]1C[C@@H]1C 82649166 573144164 /nfs/dbraw/zinc/14/41/64/573144164.db2.gz LCVBSRPMZNLDDV-CBAPKCEASA-N 0 3 155.241 1.163 10 0 ADAEHN CCc1ccc2c(c1O)OCC[C@@H]2N 238290616 573144285 /nfs/dbraw/zinc/14/42/85/573144285.db2.gz JRVXFXWVBXJTIH-VIFPVBQESA-N 0 3 193.246 1.737 10 0 ADAEHN Nc1ccncc1C1(O)CCC1 85754651 573144295 /nfs/dbraw/zinc/14/42/95/573144295.db2.gz RRGKBDUBPMQIKH-UHFFFAOYSA-N 0 3 164.208 1.035 10 0 ADAEHN CN(C)CCc1cn2ccccc2n1 89200908 573144344 /nfs/dbraw/zinc/14/43/44/573144344.db2.gz JKDCPOACZCMZTM-UHFFFAOYSA-N 0 3 189.262 1.438 10 0 ADAEHN CC(=O)C1CCN([C@@H]2CCOC2)CC1 82644879 573144361 /nfs/dbraw/zinc/14/43/61/573144361.db2.gz WJEGQSOONOMSDB-LLVKDONJSA-N 0 3 197.278 1.076 10 0 ADAEHN CC(=O)CN(C)C[C@H]1C[C@H]1C 82649163 573144435 /nfs/dbraw/zinc/14/44/35/573144435.db2.gz LCVBSRPMZNLDDV-VXNVDRBHSA-N 0 3 155.241 1.163 10 0 ADAEHN CC(C)(C)CNCN1CCC(=O)CC1 308503337 573144437 /nfs/dbraw/zinc/14/44/37/573144437.db2.gz HQUVPDARSKTSBS-UHFFFAOYSA-N 0 3 198.310 1.245 10 0 ADAEHN Nc1cc(Cl)cnc1[C@H]1CCN1 104664954 573144462 /nfs/dbraw/zinc/14/44/62/573144462.db2.gz BXBUSKAVURNOJI-SSDOTTSWSA-N 0 3 183.642 1.352 10 0 ADAEHN CC[C@H]1CCCC[C@H]1N1CC(O)C1 82658731 573144753 /nfs/dbraw/zinc/14/47/53/573144753.db2.gz AKKWHBGJDZRHIO-GXSJLCMTSA-N 0 3 183.295 1.632 10 0 ADAEHN CN(C)[C@@H]1C[C@@H]1c1ccc(O)cc1 238290907 573144755 /nfs/dbraw/zinc/14/47/55/573144755.db2.gz HLIMURQDWACCJU-GHMZBOCLSA-N 0 3 177.247 1.810 10 0 ADAEHN COC[C@@H](N)c1c(C)cccc1F 104663923 573144756 /nfs/dbraw/zinc/14/47/56/573144756.db2.gz LWWNGPBLLCVMDF-SECBINFHSA-N 0 3 183.226 1.780 10 0 ADAEHN COc1ncccc1[C@H]1CCN1 104665355 573146031 /nfs/dbraw/zinc/14/60/31/573146031.db2.gz IWHRXZRSHMPHJI-MRVPVSSYSA-N 0 3 164.208 1.125 10 0 ADAEHN CCc1c(C)ccc2c1OC[C@@H]2N 238290835 573144828 /nfs/dbraw/zinc/14/48/28/573144828.db2.gz AYHSGMYTOLEYIN-JTQLQIEISA-N 0 3 177.247 1.950 10 0 ADAEHN C[C@@H]([C@@H](C)O)N(C)Cc1ccc[nH]1 308281394 573144835 /nfs/dbraw/zinc/14/48/35/573144835.db2.gz XEEXBIHQLHAIPR-DTWKUNHWSA-N 0 3 182.267 1.216 10 0 ADAEHN CC[C@@H](N)c1ccsc1CO 104663878 573144884 /nfs/dbraw/zinc/14/48/84/573144884.db2.gz SRNWJXCZPYLJPE-SSDOTTSWSA-N 0 3 171.265 1.650 10 0 ADAEHN CCc1ccc2c(c1)CCN[C@H]2CO 238290872 573144955 /nfs/dbraw/zinc/14/49/55/573144955.db2.gz HHNXNPYLWWHWHZ-LBPRGKRZSA-N 0 3 191.274 1.428 10 0 ADAEHN COC[C@H](N)c1ccc(O)c(C)c1 104665202 573144961 /nfs/dbraw/zinc/14/49/61/573144961.db2.gz MLWKRPQWPGINIE-VIFPVBQESA-N 0 3 181.235 1.347 10 0 ADAEHN CCn1ncnc1[C@@H](N)[C@@H](C)C1CC1 308503076 573144962 /nfs/dbraw/zinc/14/49/62/573144962.db2.gz XNODWASDDVTAPH-CBAPKCEASA-N 0 3 194.282 1.344 10 0 ADAEHN CCN1CCCC[C@@H]1C(C)=O 82645031 573144967 /nfs/dbraw/zinc/14/49/67/573144967.db2.gz GXZHUUDYVRFPDH-SECBINFHSA-N 0 3 155.241 1.450 10 0 ADAEHN CC[C@@H](N)c1ccc2c(n1)OCCN2 238290166 573145493 /nfs/dbraw/zinc/14/54/93/573145493.db2.gz RTLITASCDXNZLE-SSDOTTSWSA-N 0 3 193.250 1.296 10 0 ADAEHN CC[C@H](C(=O)OC)[C@H](N)c1ccc[nH]1 259343557 573145097 /nfs/dbraw/zinc/14/50/97/573145097.db2.gz JLSAOWOUNFCVNH-CBAPKCEASA-N 0 3 196.250 1.214 10 0 ADAEHN CNCc1occc1CN1CC=CC1 308503211 573145116 /nfs/dbraw/zinc/14/51/16/573145116.db2.gz BMWHAPSEPZPJQS-UHFFFAOYSA-N 0 3 192.262 1.371 10 0 ADAEHN C[C@H](F)[C@@H](F)[C@@H]1CCCCN1 114982776 573145162 /nfs/dbraw/zinc/14/51/62/573145162.db2.gz XPUKGQPOZVTPJI-BIIVOSGPSA-N 0 3 163.211 1.825 10 0 ADAEHN N[C@@H]1CCc2c(O)cc(O)cc21 104663395 573145131 /nfs/dbraw/zinc/14/51/31/573145131.db2.gz UVDGDQFAGXLVBN-MRVPVSSYSA-N 0 3 165.192 1.044 10 0 ADAEHN CN1CCC[C@@H]1c1ccc(CO)nc1 114939983 573145232 /nfs/dbraw/zinc/14/52/32/573145232.db2.gz HJDCNAJYPGRVAD-LLVKDONJSA-N 0 3 192.262 1.341 10 0 ADAEHN Nc1cc2c(cc1Cl)[C@H](N)CO2 104664762 573145267 /nfs/dbraw/zinc/14/52/67/573145267.db2.gz RKVAMJAOKIQGHV-SSDOTTSWSA-N 0 3 184.626 1.314 10 0 ADAEHN CN(C)c1cccc2c1OC[C@@H]2N 104663441 573145378 /nfs/dbraw/zinc/14/53/78/573145378.db2.gz XZTTVHRLPQQXDD-QMMMGPOBSA-N 0 3 178.235 1.145 10 0 ADAEHN CC(=O)[C@@H]1CCCCN1CC1CC1 82645183 573145388 /nfs/dbraw/zinc/14/53/88/573145388.db2.gz NXQQHFSEWVTWAE-NSHDSACASA-N 0 3 181.279 1.840 10 0 ADAEHN CC[C@@H](C(=O)OC)[C@@H](N)c1ccc[nH]1 259343560 573145446 /nfs/dbraw/zinc/14/54/46/573145446.db2.gz JLSAOWOUNFCVNH-VXNVDRBHSA-N 0 3 196.250 1.214 10 0 ADAEHN Cc1ccsc1[C@H]1CN(C)CCN1 259342959 573145522 /nfs/dbraw/zinc/14/55/22/573145522.db2.gz SOLHAKXUOUAMEN-SECBINFHSA-N 0 3 196.319 1.633 10 0 ADAEHN OCc1sccc1[C@@H]1CCN1 104663042 573145526 /nfs/dbraw/zinc/14/55/26/573145526.db2.gz IMNACQZURJMDGV-ZETCQYMHSA-N 0 3 169.249 1.275 10 0 ADAEHN CCc1ccc2c(c1O)OC[C@H]2N 238290997 573145539 /nfs/dbraw/zinc/14/55/39/573145539.db2.gz ZMQMKIKBACOPGR-MRVPVSSYSA-N 0 3 179.219 1.347 10 0 ADAEHN CCn1ncnc1[C@H](N)[C@H](C)C1CC1 308503078 573145570 /nfs/dbraw/zinc/14/55/70/573145570.db2.gz XNODWASDDVTAPH-VXNVDRBHSA-N 0 3 194.282 1.344 10 0 ADAEHN CCc1ccc2c(c1)CN[C@H]2CO 238290882 573145571 /nfs/dbraw/zinc/14/55/71/573145571.db2.gz PSDQRKGURRAOLY-NSHDSACASA-N 0 3 177.247 1.386 10 0 ADAEHN CCc1c(F)ccc2c1OC[C@H]2N 238299795 573145587 /nfs/dbraw/zinc/14/55/87/573145587.db2.gz SYVJTZSENODYRU-SECBINFHSA-N 0 3 181.210 1.780 10 0 ADAEHN COC(=O)CCN1CCC[C@H]2C[C@H]21 308281348 573145700 /nfs/dbraw/zinc/14/57/00/573145700.db2.gz XYYIRNRLEHINGQ-DTWKUNHWSA-N 0 3 183.251 1.034 10 0 ADAEHN [NH3+][C@H]1CCc2c(ccc(F)c2[O-])C1 104664806 573145739 /nfs/dbraw/zinc/14/57/39/573145739.db2.gz RVXDHFMUSHVCLD-ZETCQYMHSA-N 0 3 181.210 1.347 10 0 ADAEHN CCc1c(C)cc(CNC)nc1C 238290472 573146618 /nfs/dbraw/zinc/14/66/18/573146618.db2.gz DXXOUHXZYJUDPA-UHFFFAOYSA-N 0 3 178.279 1.980 10 0 ADAEHN Oc1ccc(C[C@H]2NCCCO2)cc1 258539163 573145832 /nfs/dbraw/zinc/14/58/32/573145832.db2.gz NZNYRKXPBIQQLG-NSHDSACASA-N 0 3 193.246 1.271 10 0 ADAEHN Cc1nc([C@H]2C[C@H]2C)ncc1[C@H](C)N 235496750 573145917 /nfs/dbraw/zinc/14/59/17/573145917.db2.gz DQBDJXUWDFUUAE-FJXKBIBVSA-N 0 3 191.278 1.928 10 0 ADAEHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCCC1=O 82649187 573145957 /nfs/dbraw/zinc/14/59/57/573145957.db2.gz BUGDLJMFUDCQOD-OPRDCNLKSA-N 0 3 181.279 1.696 10 0 ADAEHN CC(C)OCCN1CCC[C@H]2C[C@H]21 308281789 573146027 /nfs/dbraw/zinc/14/60/27/573146027.db2.gz XFPXUNGNCVUKMC-WDEREUQCSA-N 0 3 183.295 1.896 10 0 ADAEHN CC(=O)[C@H]1CCCCN1CC(C)(C)O 82645122 573146045 /nfs/dbraw/zinc/14/60/45/573146045.db2.gz FTHAIFOLIMXREK-SNVBAGLBSA-N 0 3 199.294 1.201 10 0 ADAEHN C[C@H](NCc1cnc(N)o1)C1CCC1 308503780 573146055 /nfs/dbraw/zinc/14/60/55/573146055.db2.gz HVLZMIMYXNXONX-ZETCQYMHSA-N 0 3 195.266 1.535 10 0 ADAEHN CC(C)[C@H](N)c1cccc(C=O)n1 104665150 573146058 /nfs/dbraw/zinc/14/60/58/573146058.db2.gz NAOPQNUYUCCFKV-JTQLQIEISA-N 0 3 178.235 1.550 10 0 ADAEHN COC[C@@H](N)c1ccc(O)c(C)c1 104665199 573146074 /nfs/dbraw/zinc/14/60/74/573146074.db2.gz MLWKRPQWPGINIE-SECBINFHSA-N 0 3 181.235 1.347 10 0 ADAEHN Fc1ccc([C@@H]2CCN2)c(F)n1 104663011 573146126 /nfs/dbraw/zinc/14/61/26/573146126.db2.gz VXUWCNBYOUFIFW-LURJTMIESA-N 0 3 170.162 1.394 10 0 ADAEHN CC[C@@H](N)c1cncc2c1NCCO2 238291179 573146200 /nfs/dbraw/zinc/14/62/00/573146200.db2.gz LFXDCXTXEZHYGD-MRVPVSSYSA-N 0 3 193.250 1.296 10 0 ADAEHN CC(=O)[C@@H]1CCCCN1CC(C)(C)O 82645121 573146215 /nfs/dbraw/zinc/14/62/15/573146215.db2.gz FTHAIFOLIMXREK-JTQLQIEISA-N 0 3 199.294 1.201 10 0 ADAEHN N[C@H]1CCc2c(O)cc(O)cc21 104663399 573146241 /nfs/dbraw/zinc/14/62/41/573146241.db2.gz UVDGDQFAGXLVBN-QMMMGPOBSA-N 0 3 165.192 1.044 10 0 ADAEHN CC(C)[C@H](N)c1cccc(F)n1 104665092 573146290 /nfs/dbraw/zinc/14/62/90/573146290.db2.gz FCTZYNDGCVYPHJ-VIFPVBQESA-N 0 3 168.215 1.877 10 0 ADAEHN Fc1cccc(C[C@H]2NCCCO2)c1 258539346 573146294 /nfs/dbraw/zinc/14/62/94/573146294.db2.gz OBQHGEYRMBWGGA-NSHDSACASA-N 0 3 195.237 1.704 10 0 ADAEHN C[C@@H]1C[C@H]1CN(C)[C@@H]1CCCC1=O 82649189 573146345 /nfs/dbraw/zinc/14/63/45/573146345.db2.gz BUGDLJMFUDCQOD-KXUCPTDWSA-N 0 3 181.279 1.696 10 0 ADAEHN Nc1cccc([C@H]2CCCCN2)n1 104664053 573146377 /nfs/dbraw/zinc/14/63/77/573146377.db2.gz CQOBGXLXFRLNRV-MRVPVSSYSA-N 0 3 177.251 1.478 10 0 ADAEHN N[C@@H](c1cccc(C=O)n1)C1CC1 104665166 573146402 /nfs/dbraw/zinc/14/64/02/573146402.db2.gz WPSCCFSQPYGNST-SNVBAGLBSA-N 0 3 176.219 1.304 10 0 ADAEHN Cc1cc2c(cc1F)OC[C@@H]2N 104663447 573146452 /nfs/dbraw/zinc/14/64/52/573146452.db2.gz HDUCQCQMWRZQGM-QMMMGPOBSA-N 0 3 167.183 1.526 10 0 ADAEHN CC[C@@H]1CCCC[C@@H]1N1CC(O)C1 82658728 573146477 /nfs/dbraw/zinc/14/64/77/573146477.db2.gz AKKWHBGJDZRHIO-KOLCDFICSA-N 0 3 183.295 1.632 10 0 ADAEHN CN(C)[C@@H]1C[C@H]1c1ccc(O)cc1 238291145 573146603 /nfs/dbraw/zinc/14/66/03/573146603.db2.gz HLIMURQDWACCJU-WDEREUQCSA-N 0 3 177.247 1.810 10 0 ADAEHN CC(=O)CN(C)C[C@@H]1C[C@H]1C 82649165 573146529 /nfs/dbraw/zinc/14/65/29/573146529.db2.gz LCVBSRPMZNLDDV-APPZFPTMSA-N 0 3 155.241 1.163 10 0 ADAEHN [NH3+][C@@H](CC1CC1)c1ccc([O-])cn1 104662942 573146530 /nfs/dbraw/zinc/14/65/30/573146530.db2.gz FVAHUOMLECSOPA-VIFPVBQESA-N 0 3 178.235 1.587 10 0 ADAEHN N[C@@H](CC1CC1)c1ccc(O)cn1 104662942 573146534 /nfs/dbraw/zinc/14/65/34/573146534.db2.gz FVAHUOMLECSOPA-VIFPVBQESA-N 0 3 178.235 1.587 10 0 ADAEHN COc1ncccc1[C@@H](N)C(C)C 104664110 573146542 /nfs/dbraw/zinc/14/65/42/573146542.db2.gz HDOQPJHMWREUAT-VIFPVBQESA-N 0 3 180.251 1.746 10 0 ADAEHN [NH3+][C@@H]1CCc2cc([O-])c(F)cc21 104665902 573147222 /nfs/dbraw/zinc/14/72/22/573147222.db2.gz XVQRFSWLJUBBSL-MRVPVSSYSA-N 0 3 167.183 1.477 10 0 ADAEHN Cc1c(O)cccc1[C@H](N)[C@H](C)O 104665558 573147073 /nfs/dbraw/zinc/14/70/73/573147073.db2.gz GJVLAVGYPRDBNQ-OIBJUYFYSA-N 0 3 181.235 1.081 10 0 ADAEHN CN[C@@H](C)c1ccc(CN)o1 258539234 573147192 /nfs/dbraw/zinc/14/71/92/573147192.db2.gz OHQANFIHCYCJHO-LURJTMIESA-N 0 3 154.213 1.019 10 0 ADAEHN N[C@@H](c1ccsc1CO)C1CC1 104663882 573147549 /nfs/dbraw/zinc/14/75/49/573147549.db2.gz JZRCMGSYFPIKNB-SECBINFHSA-N 0 3 183.276 1.650 10 0 ADAEHN N[C@H]1COc2c1ccc1[nH]ccc21 104664788 573147298 /nfs/dbraw/zinc/14/72/98/573147298.db2.gz GKPWAKTVBIYAPH-QMMMGPOBSA-N 0 3 174.203 1.560 10 0 ADAEHN CC[C@H]1CCCC[C@@H]1N1CC(O)C1 82658729 573147304 /nfs/dbraw/zinc/14/73/04/573147304.db2.gz AKKWHBGJDZRHIO-ONGXEEELSA-N 0 3 183.295 1.632 10 0 ADAEHN C[C@H](N)c1ncc(Cl)cc1N 104664932 573147318 /nfs/dbraw/zinc/14/73/18/573147318.db2.gz DOQNQCFGJCPMLT-BYPYZUCNSA-N 0 3 171.631 1.337 10 0 ADAEHN Cc1cccc([C@@H](N)CN(C)C)c1C 85798376 573147321 /nfs/dbraw/zinc/14/73/21/573147321.db2.gz OCJDBOKMYHBQSH-LBPRGKRZSA-N 0 3 192.306 1.865 10 0 ADAEHN CCc1ccc2c(c1)CN[C@@H]2CO 238290553 573147322 /nfs/dbraw/zinc/14/73/22/573147322.db2.gz PSDQRKGURRAOLY-LLVKDONJSA-N 0 3 177.247 1.386 10 0 ADAEHN Cc1ccc(O)cc1[C@H](N)[C@H](C)O 104664379 573147343 /nfs/dbraw/zinc/14/73/43/573147343.db2.gz BIADSOGROYJBSL-OIBJUYFYSA-N 0 3 181.235 1.081 10 0 ADAEHN Cc1ccc(F)cc1[C@@H](O)CN(C)C 85794661 573147383 /nfs/dbraw/zinc/14/73/83/573147383.db2.gz DQIYHKOAWLXBSN-NSHDSACASA-N 0 3 197.253 1.729 10 0 ADAEHN N[C@H](c1cccc(C=O)n1)C1CC1 104665172 573147394 /nfs/dbraw/zinc/14/73/94/573147394.db2.gz WPSCCFSQPYGNST-JTQLQIEISA-N 0 3 176.219 1.304 10 0 ADAEHN Cc1noc2ccc(CN)c(F)c12 259343792 573147426 /nfs/dbraw/zinc/14/74/26/573147426.db2.gz HLDLLVSEWOGWNO-UHFFFAOYSA-N 0 3 180.182 1.734 10 0 ADAEHN COC[C@H](N)c1ccc2[nH]ccc2n1 89221249 573147431 /nfs/dbraw/zinc/14/74/31/573147431.db2.gz XRQVODOMOCZRQA-ZETCQYMHSA-N 0 3 191.234 1.209 10 0 ADAEHN Cc1cc([C@@H](O)CN(C)C)cs1 85794055 573147437 /nfs/dbraw/zinc/14/74/37/573147437.db2.gz VOMBJEWLTLYALL-VIFPVBQESA-N 0 3 185.292 1.652 10 0 ADAEHN CC[C@H](N)c1cccc(C=O)n1 104665144 573147439 /nfs/dbraw/zinc/14/74/39/573147439.db2.gz JSBKKYNNJRJIMS-QMMMGPOBSA-N 0 3 164.208 1.304 10 0 ADAEHN CN[C@H](C)c1ccc(CN)o1 258539239 573147495 /nfs/dbraw/zinc/14/74/95/573147495.db2.gz OHQANFIHCYCJHO-ZCFIWIBFSA-N 0 3 154.213 1.019 10 0 ADAEHN N[C@@H]1Cc2cccc(F)c21 258539170 573147647 /nfs/dbraw/zinc/14/76/47/573147647.db2.gz OGXIRSNLLPOWMY-SSDOTTSWSA-N 0 3 137.157 1.382 10 0 ADAEHN Cc1cc(C)cc([C@H](O)CN(C)C)c1 85794700 573147651 /nfs/dbraw/zinc/14/76/51/573147651.db2.gz NTSKOCALIXLUPR-GFCCVEGCSA-N 0 3 193.290 1.898 10 0 ADAEHN CC[C@@H]1OC(=O)C(C)C(=O)[C@@H]1C 238290078 573147655 /nfs/dbraw/zinc/14/76/55/573147655.db2.gz WENGDWLJTQGDNF-QYNIQEEDSA-N 0 3 170.208 1.163 10 0 ADAEHN CC[C@H](N)c1ccc[nH]c1=S 104663035 573147718 /nfs/dbraw/zinc/14/77/18/573147718.db2.gz 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/nfs/dbraw/zinc/14/79/54/573147954.db2.gz OCJDBOKMYHBQSH-GFCCVEGCSA-N 0 3 192.306 1.865 10 0 ADAEHN Cc1cc(F)ccc1[C@@H](N)CN(C)C 85798387 573147975 /nfs/dbraw/zinc/14/79/75/573147975.db2.gz KNHUDKJKGDASIK-NSHDSACASA-N 0 3 196.269 1.696 10 0 ADAEHN CCc1c(C)ccc2c1OC[C@H]2N 238290880 573147977 /nfs/dbraw/zinc/14/79/77/573147977.db2.gz AYHSGMYTOLEYIN-SNVBAGLBSA-N 0 3 177.247 1.950 10 0 ADAEHN CCN[C@@H](c1ncnn1CC)C(C)C 308505064 573147985 /nfs/dbraw/zinc/14/79/85/573147985.db2.gz YMZRTLOKFMHOAU-SECBINFHSA-N 0 3 196.298 1.605 10 0 ADAEHN CC[C@H](N)c1nccc2[nH]ccc12 89220534 573147996 /nfs/dbraw/zinc/14/79/96/573147996.db2.gz CARSPJUQAREVJR-QMMMGPOBSA-N 0 3 175.235 1.973 10 0 ADAEHN CC[C@@H](C(=O)OC)[C@H](N)c1ccc[nH]1 259343555 573148050 /nfs/dbraw/zinc/14/80/50/573148050.db2.gz JLSAOWOUNFCVNH-APPZFPTMSA-N 0 3 196.250 1.214 10 0 ADAEHN CCc1c(C)ccc2ncc(N)n12 238290981 573148024 /nfs/dbraw/zinc/14/80/24/573148024.db2.gz OGSWPVQOMUWRDG-UHFFFAOYSA-N 0 3 175.235 1.787 10 0 ADAEHN CC(C)[C@@H]1CC[C@@H]1NCc1cc[nH]n1 308504207 573148506 /nfs/dbraw/zinc/14/85/06/573148506.db2.gz IBAWCLRERCMSPY-QWRGUYRKSA-N 0 3 193.294 1.934 10 0 ADAEHN COC[C@H](N)c1ccc(F)nc1C 104666490 573148496 /nfs/dbraw/zinc/14/84/96/573148496.db2.gz XZQHWWLIUFVOAV-QMMMGPOBSA-N 0 3 184.214 1.175 10 0 ADAEHN Cc1ccsc1[C@@H]1CN(C)CCN1 259342961 573148433 /nfs/dbraw/zinc/14/84/33/573148433.db2.gz SOLHAKXUOUAMEN-VIFPVBQESA-N 0 3 196.319 1.633 10 0 ADAEHN CC(=O)CN(C)C[C@H]1C[C@@H]1C 82649164 573148441 /nfs/dbraw/zinc/14/84/41/573148441.db2.gz LCVBSRPMZNLDDV-IONNQARKSA-N 0 3 155.241 1.163 10 0 ADAEHN COC[C@@H](N)c1ccc(N)c(C)c1 104666996 573148443 /nfs/dbraw/zinc/14/84/43/573148443.db2.gz CKMCEXDUUYHZEE-SNVBAGLBSA-N 0 3 180.251 1.223 10 0 ADAEHN COC[C@@H](N)c1cccnc1C 104666474 573148458 /nfs/dbraw/zinc/14/84/58/573148458.db2.gz GTRCAOOHKZVPAC-SECBINFHSA-N 0 3 166.224 1.036 10 0 ADAEHN C[C@@H](N)c1nccc2[nH]ccc12 89220521 573148535 /nfs/dbraw/zinc/14/85/35/573148535.db2.gz RMUHNWQWKUOMMW-ZCFIWIBFSA-N 0 3 161.208 1.583 10 0 ADAEHN Cc1nc([C@H](C)N)ccc1F 104666132 573148594 /nfs/dbraw/zinc/14/85/94/573148594.db2.gz WTOBWOPLMOIGLW-YFKPBYRVSA-N 0 3 154.188 1.549 10 0 ADAEHN N[C@H]1COc2cc3cc[nH]c3cc21 104667156 573148690 /nfs/dbraw/zinc/14/86/90/573148690.db2.gz YKZCXWBZTNSOGS-QMMMGPOBSA-N 0 3 174.203 1.560 10 0 ADAEHN CC[C@H](N)c1ccc[nH]c1=O 104667330 573148740 /nfs/dbraw/zinc/14/87/40/573148740.db2.gz DJJCPZDECQFCPF-ZETCQYMHSA-N 0 3 152.197 1.197 10 0 ADAEHN COC[C@@H](N)c1ccc(F)cc1N 104667008 573148757 /nfs/dbraw/zinc/14/87/57/573148757.db2.gz DUBUXJATVOOFSQ-SECBINFHSA-N 0 3 184.214 1.054 10 0 ADAEHN CC[C@@H](N)c1nccc2[nH]ccc12 89220536 573148798 /nfs/dbraw/zinc/14/87/98/573148798.db2.gz CARSPJUQAREVJR-MRVPVSSYSA-N 0 3 175.235 1.973 10 0 ADAEHN Cc1nc([C@H]2CCN2)ccc1F 104667314 573148841 /nfs/dbraw/zinc/14/88/41/573148841.db2.gz FJZSNBXECWPTTR-MRVPVSSYSA-N 0 3 166.199 1.564 10 0 ADAEHN Oc1ccc(C[C@@H]2NCCCO2)cc1 258539159 573148874 /nfs/dbraw/zinc/14/88/74/573148874.db2.gz 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/nfs/dbraw/zinc/14/91/21/573149121.db2.gz BVXXQODWDPQPFM-ZJUUUORDSA-N 0 3 196.319 1.998 10 0 ADAEHN COC[C@H](N)c1nccc2[nH]ccc12 89220652 573149128 /nfs/dbraw/zinc/14/91/28/573149128.db2.gz UICAFJBNDBQULL-QMMMGPOBSA-N 0 3 191.234 1.209 10 0 ADAEHN N[C@@H](CC1CC1)c1ccc[nH]c1=O 104668468 573149129 /nfs/dbraw/zinc/14/91/29/573149129.db2.gz VKVPECXEOVNJPP-VIFPVBQESA-N 0 3 178.235 1.587 10 0 ADAEHN CCc1c(C)ccn2c(N)cnc12 238291913 573149170 /nfs/dbraw/zinc/14/91/70/573149170.db2.gz OGKLZBVEGBOBOO-UHFFFAOYSA-N 0 3 175.235 1.787 10 0 ADAEHN COC[C@H](N)c1ccc[nH]c1=S 104667632 573149221 /nfs/dbraw/zinc/14/92/21/573149221.db2.gz LGXRDJDXBSODSB-ZETCQYMHSA-N 0 3 184.264 1.017 10 0 ADAEHN Cc1c(O)ccc2c1OC[C@@H]2N 104665973 573149243 /nfs/dbraw/zinc/14/92/43/573149243.db2.gz QBZSRLLYAVKOGX-ZETCQYMHSA-N 0 3 165.192 1.093 10 0 ADAEHN COC[C@H](N)c1ccc(F)cc1N 104668630 573149293 /nfs/dbraw/zinc/14/92/93/573149293.db2.gz DUBUXJATVOOFSQ-VIFPVBQESA-N 0 3 184.214 1.054 10 0 ADAEHN CC(C)[C@H]1CC[C@H]1NCc1cc[nH]n1 308504205 573149306 /nfs/dbraw/zinc/14/93/06/573149306.db2.gz IBAWCLRERCMSPY-GHMZBOCLSA-N 0 3 193.294 1.934 10 0 ADAEHN Cc1cc(C)cc([C@@H](N)CN(C)C)c1 85797888 573149319 /nfs/dbraw/zinc/14/93/19/573149319.db2.gz SKZOGBKKEGGQRN-LBPRGKRZSA-N 0 3 192.306 1.865 10 0 ADAEHN CC(C)[C@H](N)c1ncccc1N 104669128 573149340 /nfs/dbraw/zinc/14/93/40/573149340.db2.gz DEWVSGMKXMHOLA-QMMMGPOBSA-N 0 3 165.240 1.320 10 0 ADAEHN CN1CCC[C@H]1[C@@H](O)C(F)(F)F 238291825 573149352 /nfs/dbraw/zinc/14/93/52/573149352.db2.gz TUPGAAMPEJHNAT-NTSWFWBYSA-N 0 3 183.173 1.004 10 0 ADAEHN COC[C@@H](N)c1ccc(N)c(F)c1 104666976 573149364 /nfs/dbraw/zinc/14/93/64/573149364.db2.gz DXBFRBAHZVRKDV-SECBINFHSA-N 0 3 184.214 1.054 10 0 ADAEHN COC[C@@H](N)c1cnc(F)cc1C 104666444 573149378 /nfs/dbraw/zinc/14/93/78/573149378.db2.gz AQMFBSHFBJYAJC-MRVPVSSYSA-N 0 3 184.214 1.175 10 0 ADAEHN Cc1cc(C)cc([C@H](N)CN(C)C)c1 85797887 573149476 /nfs/dbraw/zinc/14/94/76/573149476.db2.gz 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85794686 573149934 /nfs/dbraw/zinc/14/99/34/573149934.db2.gz ONQYUVLPSXZCSS-QMMMGPOBSA-N 0 3 185.292 1.652 10 0 ADAEHN COC[C@@H](N)c1cccc(C)c1N 104667027 573150398 /nfs/dbraw/zinc/15/03/98/573150398.db2.gz CLJYUXKPEIKEMQ-SECBINFHSA-N 0 3 180.251 1.223 10 0 ADAEHN C/C=C\CCNCc1cnc(N)nc1 308504128 573149995 /nfs/dbraw/zinc/14/99/95/573149995.db2.gz HWSNNWTYEHHPCW-IHWYPQMZSA-N 0 3 192.266 1.115 10 0 ADAEHN COC[C@H](N)c1cc(C)ccc1N 104667584 573150126 /nfs/dbraw/zinc/15/01/26/573150126.db2.gz IRZQYSKRFHLAQR-JTQLQIEISA-N 0 3 180.251 1.223 10 0 ADAEHN N[C@H](CC1CC1)c1ccc[nH]c1=O 104668466 573150157 /nfs/dbraw/zinc/15/01/57/573150157.db2.gz VKVPECXEOVNJPP-SECBINFHSA-N 0 3 178.235 1.587 10 0 ADAEHN CC(C)[C@@H]1CC[C@H]1NCc1cc[nH]n1 308504208 573150199 /nfs/dbraw/zinc/15/01/99/573150199.db2.gz IBAWCLRERCMSPY-WDEREUQCSA-N 0 3 193.294 1.934 10 0 ADAEHN CCC[C@H](O)[C@H]1CN2CCC[C@@H]2CO1 85794745 573150307 /nfs/dbraw/zinc/15/03/07/573150307.db2.gz NHQROEYMYZVTOW-OUAUKWLOSA-N 0 3 199.294 1.011 10 0 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184.283 1.019 10 0 ADAEHN C=Cc1ccc2c(c1)[C@@H](N)CO2 104667160 573152555 /nfs/dbraw/zinc/15/25/55/573152555.db2.gz QCHYZHYFISROTB-VIFPVBQESA-N 0 3 161.204 1.722 10 0 ADAEHN CC(C)[C@H]1CC[C@@H]1NCc1cc[nH]n1 308504206 573151314 /nfs/dbraw/zinc/15/13/14/573151314.db2.gz IBAWCLRERCMSPY-MNOVXSKESA-N 0 3 193.294 1.934 10 0 ADAEHN COC[C@@H](N)c1ccc(C)c(O)c1 104666430 573151392 /nfs/dbraw/zinc/15/13/92/573151392.db2.gz NLYDUVULKRDYTN-SECBINFHSA-N 0 3 181.235 1.347 10 0 ADAEHN COc1c(C)ccc2c1OC[C@H]2N 104668136 573151408 /nfs/dbraw/zinc/15/14/08/573151408.db2.gz LXUSRBWNIYVXCP-MRVPVSSYSA-N 0 3 179.219 1.396 10 0 ADAEHN COC[C@@H](N)c1ccc(F)c(N)c1 104667040 573151488 /nfs/dbraw/zinc/15/14/88/573151488.db2.gz GUYAQMWQDWGSFX-SECBINFHSA-N 0 3 184.214 1.054 10 0 ADAEHN COC[C@H](N)c1ccc(C)c(O)c1 104666433 573151506 /nfs/dbraw/zinc/15/15/06/573151506.db2.gz NLYDUVULKRDYTN-VIFPVBQESA-N 0 3 181.235 1.347 10 0 ADAEHN Cc1cc([C@H](O)CN(C)C)cs1 85794053 573151527 /nfs/dbraw/zinc/15/15/27/573151527.db2.gz 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573152910 /nfs/dbraw/zinc/15/29/10/573152910.db2.gz PRIUSLQJDLFHJR-SNVBAGLBSA-N 0 3 180.251 1.223 10 0 ADAEHN CCC[C@H](O)[C@@H]1CN2CCC[C@@H]2CO1 85794741 573152941 /nfs/dbraw/zinc/15/29/41/573152941.db2.gz NHQROEYMYZVTOW-VWYCJHECSA-N 0 3 199.294 1.011 10 0 ADAEHN COCCC[C@@H](N)c1c(C)cnn1C 308506471 573152965 /nfs/dbraw/zinc/15/29/65/573152965.db2.gz ZDOYHXCESRQWNS-SECBINFHSA-N 0 3 197.282 1.155 10 0 ADAEHN CCc1oc(N)nc1[C@H]1CCN(C)C1 259347330 573152997 /nfs/dbraw/zinc/15/29/97/573152997.db2.gz ZJFZGDGVORNIDH-ZETCQYMHSA-N 0 3 195.266 1.238 10 0 ADAEHN COc1cnn(C)c1[C@@H](N)C(C)(C)C 123726471 573153044 /nfs/dbraw/zinc/15/30/44/573153044.db2.gz CJLCTSPVKQOOQH-SECBINFHSA-N 0 3 197.282 1.475 10 0 ADAEHN CN[C@H](CCC(=O)OC)c1cc[nH]c1 259601929 573153105 /nfs/dbraw/zinc/15/31/05/573153105.db2.gz YDGWSYDVLJFHRN-SECBINFHSA-N 0 3 196.250 1.228 10 0 ADAEHN Cc1cc2c(cc1O)[C@H](N)CO2 104668249 573153247 /nfs/dbraw/zinc/15/32/47/573153247.db2.gz MEBXXCKKNKCWPX-SSDOTTSWSA-N 0 3 165.192 1.093 10 0 ADAEHN 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190.246 1.652 10 0 ADAEHN CCOc1ccc(O)cc1[C@@H](C)N 238291330 573153639 /nfs/dbraw/zinc/15/36/39/573153639.db2.gz FJFLYXMYBNODAY-SSDOTTSWSA-N 0 3 181.235 1.811 10 0 ADAEHN Cc1nc([C@@H](N)C2CC2)ccc1F 104666153 573153972 /nfs/dbraw/zinc/15/39/72/573153972.db2.gz WXUMSHPENCWNOB-JTQLQIEISA-N 0 3 180.226 1.939 10 0 ADAEHN CN[C@@H](CCC(=O)OC)c1cc[nH]c1 259601932 573154023 /nfs/dbraw/zinc/15/40/23/573154023.db2.gz YDGWSYDVLJFHRN-VIFPVBQESA-N 0 3 196.250 1.228 10 0 ADAEHN CN[C@@H](c1cnns1)C(C)(C)C 642853699 573154026 /nfs/dbraw/zinc/15/40/26/573154026.db2.gz UEEGKJXBPDZTRI-ZETCQYMHSA-N 0 3 185.296 1.341 10 0 ADAEHN C[C@@H]1CN[C@@H]([C@H]2CCCCO2)OC1 258542768 573154107 /nfs/dbraw/zinc/15/41/07/573154107.db2.gz OEVRVCAGTMRUMN-OPRDCNLKSA-N 0 3 185.267 1.138 10 0 ADAEHN CCc1cccnc1[C@H](N)[C@@H](C)O 104667986 573154126 /nfs/dbraw/zinc/15/41/26/573154126.db2.gz KXZWMTJZLNQWMY-VXNVDRBHSA-N 0 3 180.251 1.025 10 0 ADAEHN CN(C)C[C@H](O)c1ccsc1 85793972 573154128 /nfs/dbraw/zinc/15/41/28/573154128.db2.gz 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104669124 573154618 /nfs/dbraw/zinc/15/46/18/573154618.db2.gz FTWDJRVMKGGVLC-ZCFIWIBFSA-N 0 3 151.213 1.074 10 0 ADAEHN FCCCCCNCc1ccncn1 308506423 573154689 /nfs/dbraw/zinc/15/46/89/573154689.db2.gz ZCKNTWQVMJNOPH-UHFFFAOYSA-N 0 3 197.257 1.706 10 0 ADAEHN Cc1ccc(F)cc1[C@H](O)CN(C)C 85794659 573154693 /nfs/dbraw/zinc/15/46/93/573154693.db2.gz DQIYHKOAWLXBSN-LLVKDONJSA-N 0 3 197.253 1.729 10 0 ADAEHN C[C@@H](O)CN(C)C[C@@H](C)C(F)(F)F 308283494 573154766 /nfs/dbraw/zinc/15/47/66/573154766.db2.gz XWFWOSYLIVNMRZ-RNFRBKRXSA-N 0 3 199.216 1.497 10 0 ADAEHN COC[C@H](N)c1ccc(N)c(C)c1 104667598 573154788 /nfs/dbraw/zinc/15/47/88/573154788.db2.gz CKMCEXDUUYHZEE-JTQLQIEISA-N 0 3 180.251 1.223 10 0 ADAEHN CCc1c(CN)nc2ccccn12 238293564 573154813 /nfs/dbraw/zinc/15/48/13/573154813.db2.gz LQYFVKTWLGXCDR-UHFFFAOYSA-N 0 3 175.235 1.355 10 0 ADAEHN C[C@H](O)CN(C)C[C@@H](C)C(F)(F)F 308283495 573154830 /nfs/dbraw/zinc/15/48/30/573154830.db2.gz XWFWOSYLIVNMRZ-RQJHMYQMSA-N 0 3 199.216 1.497 10 0 ADAEHN 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170.162 1.394 10 0 ADAEHN C[C@@H]1CN[C@H]([C@@H]2CCCCO2)OC1 258542772 573155839 /nfs/dbraw/zinc/15/58/39/573155839.db2.gz OEVRVCAGTMRUMN-UTLUCORTSA-N 0 3 185.267 1.138 10 0 ADAEHN COc1cccc([C@H]2CCN2)n1 104670033 573155859 /nfs/dbraw/zinc/15/58/59/573155859.db2.gz OZMZKUWGZZSXGE-SSDOTTSWSA-N 0 3 164.208 1.125 10 0 ADAEHN CCCCC[C@H](C)N(C)CC(N)=O 308506492 573155921 /nfs/dbraw/zinc/15/59/21/573155921.db2.gz ZJHFPJZAPZRBMR-VIFPVBQESA-N 0 3 186.299 1.372 10 0 ADAEHN CCO[C@H](C)[C@@H](N)c1cnc(C)n1C 308505992 573155957 /nfs/dbraw/zinc/15/59/57/573155957.db2.gz YZMJRIIFUXARIN-GMSGAONNSA-N 0 3 197.282 1.153 10 0 ADAEHN Cn1ncc2ccc(CN)c(Cl)c21 259346683 573156062 /nfs/dbraw/zinc/15/60/62/573156062.db2.gz HOGUJUZIVUHDOM-UHFFFAOYSA-N 0 3 195.653 1.685 10 0 ADAEHN CCc1oc(N)nc1[C@@H]1CCN(C)C1 259347327 573156251 /nfs/dbraw/zinc/15/62/51/573156251.db2.gz ZJFZGDGVORNIDH-SSDOTTSWSA-N 0 3 195.266 1.238 10 0 ADAEHN CC1(C)CN[C@H]([C@@H]2CCCCO2)OC1 258554888 573156131 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143.230 1.165 10 0 ADAEHN COC[C@H](N)c1cc(N)ccc1F 104669348 573162182 /nfs/dbraw/zinc/16/21/82/573162182.db2.gz PDGUOBGELJBENK-VIFPVBQESA-N 0 3 184.214 1.054 10 0 ADAEHN COC[C@H](N)c1ccc(F)c(N)c1 104669364 573162193 /nfs/dbraw/zinc/16/21/93/573162193.db2.gz GUYAQMWQDWGSFX-VIFPVBQESA-N 0 3 184.214 1.054 10 0 ADAEHN CC(C)c1ccc2nc(CN)cn2n1 258560966 573162244 /nfs/dbraw/zinc/16/22/44/573162244.db2.gz KEYSQXYIEXQDPV-UHFFFAOYSA-N 0 3 190.250 1.311 10 0 ADAEHN C[C@](N)(CO)c1cc(F)cc(F)c1 82707443 573162245 /nfs/dbraw/zinc/16/22/45/573162245.db2.gz YLGVAVCYNZZPOK-VIFPVBQESA-N 0 3 187.189 1.131 10 0 ADAEHN C[C@@]1(Cc2ccccc2)NCCO1 258559206 573162347 /nfs/dbraw/zinc/16/23/47/573162347.db2.gz OXFQQDMRJIVLMH-LLVKDONJSA-N 0 3 177.247 1.565 10 0 ADAEHN C/C=C\CN1CCC(C(=O)OC)CC1 214508155 573162370 /nfs/dbraw/zinc/16/23/70/573162370.db2.gz DMSAMKKZNJHMKK-ARJAWSKDSA-N 0 3 197.278 1.448 10 0 ADAEHN CC(C)C[C@H]1CC(CN)=NO1 258559974 573162553 /nfs/dbraw/zinc/16/25/53/573162553.db2.gz QIFCEBYAOQCWLE-QMMMGPOBSA-N 0 3 156.229 1.136 10 0 ADAEHN O[C@H]1CCC[C@@H](c2cccc(F)c2)N1 258559050 573162576 /nfs/dbraw/zinc/16/25/76/573162576.db2.gz IFDVGGZGFZZMLK-QWRGUYRKSA-N 0 3 195.237 1.959 10 0 ADAEHN CCCc1nc(CNCC)[nH]c1C 258482368 573162725 /nfs/dbraw/zinc/16/27/25/573162725.db2.gz CAIKGJDQEWQXEN-UHFFFAOYSA-N 0 3 181.283 1.780 10 0 ADAEHN C[C@@H]1CN[C@@H](Cc2ccco2)O1 258559192 573162645 /nfs/dbraw/zinc/16/26/45/573162645.db2.gz OXDIDCQYCQKANW-VXNVDRBHSA-N 0 3 167.208 1.157 10 0 ADAEHN CC[C@@H]1[C@H](C)C(=O)C[C@@H](C)N1C 238297335 573162700 /nfs/dbraw/zinc/16/27/00/573162700.db2.gz ZJAHDTGLJGUDJY-HRDYMLBCSA-N 0 3 169.268 1.694 10 0 ADAEHN CCCc1[nH]c(CNCC)nc1C 258482368 573162718 /nfs/dbraw/zinc/16/27/18/573162718.db2.gz CAIKGJDQEWQXEN-UHFFFAOYSA-N 0 3 181.283 1.780 10 0 ADAEHN COc1cccnc1[C@H]1CCN1 104673353 573162986 /nfs/dbraw/zinc/16/29/86/573162986.db2.gz JPVIVVJBFJVRNX-SSDOTTSWSA-N 0 3 164.208 1.125 10 0 ADAEHN CCN(Cc1c[nH]c(C)n1)C(C)C 308285334 573163028 /nfs/dbraw/zinc/16/30/28/573163028.db2.gz DBZKXZLJRARFDR-UHFFFAOYSA-N 0 3 181.283 1.948 10 0 ADAEHN CCN(Cc1cnc(C)[nH]1)C(C)C 308285334 573163031 /nfs/dbraw/zinc/16/30/31/573163031.db2.gz DBZKXZLJRARFDR-UHFFFAOYSA-N 0 3 181.283 1.948 10 0 ADAEHN CCc1ccn2c(N)cnc2c1C 238298283 573163083 /nfs/dbraw/zinc/16/30/83/573163083.db2.gz XLNPLZXLNJEDSJ-UHFFFAOYSA-N 0 3 175.235 1.787 10 0 ADAEHN CCCCC(=O)OC[C@H](C)N(C)C 308284905 573163163 /nfs/dbraw/zinc/16/31/63/573163163.db2.gz BJPCMTPKPUQIGF-VIFPVBQESA-N 0 3 187.283 1.670 10 0 ADAEHN CCC[C@H](N)c1cc(N)ccn1 104674246 573163169 /nfs/dbraw/zinc/16/31/69/573163169.db2.gz MYPYLMFZIIFTFO-QMMMGPOBSA-N 0 3 165.240 1.464 10 0 ADAEHN CCNCc1nc(C)cn1C(C)C 257958960 573163199 /nfs/dbraw/zinc/16/31/99/573163199.db2.gz XZISTUNYTDPKBW-UHFFFAOYSA-N 0 3 181.283 1.882 10 0 ADAEHN CN1CCCC[C@H]1Cc1oncc1N 259349001 573163217 /nfs/dbraw/zinc/16/32/17/573163217.db2.gz UFCIKKJARGRLFY-QMMMGPOBSA-N 0 3 195.266 1.284 10 0 ADAEHN Cc1nc(C2CCOCC2)[nH]c1CN 258236704 573163232 /nfs/dbraw/zinc/16/32/32/573163232.db2.gz ZYMPJDOLSONBEK-UHFFFAOYSA-N 0 3 195.266 1.071 10 0 ADAEHN N[C@H]1COc2cc3c(cc21)CCO3 104673798 573163279 /nfs/dbraw/zinc/16/32/79/573163279.db2.gz ZOPJSDHVNXBKDZ-QMMMGPOBSA-N 0 3 177.203 1.014 10 0 ADAEHN CC(C)C[C@@H]1CC(CN)=NO1 258559971 573163284 /nfs/dbraw/zinc/16/32/84/573163284.db2.gz QIFCEBYAOQCWLE-MRVPVSSYSA-N 0 3 156.229 1.136 10 0 ADAEHN OC[C@@H](NCC1CCC1)c1ccco1 308513496 573163342 /nfs/dbraw/zinc/16/33/42/573163342.db2.gz LRXAHRJSUHATOM-SNVBAGLBSA-N 0 3 195.262 1.703 10 0 ADAEHN OC[C@H](NCC1CCC1)c1ccco1 308513494 573163424 /nfs/dbraw/zinc/16/34/24/573163424.db2.gz LRXAHRJSUHATOM-JTQLQIEISA-N 0 3 195.262 1.703 10 0 ADAEHN Cn1cc(N)nc1CNC1CCCC1 257958941 573163452 /nfs/dbraw/zinc/16/34/52/573163452.db2.gz XZCZBIWHZVCVAH-UHFFFAOYSA-N 0 3 194.282 1.035 10 0 ADAEHN C[C@H]1CN[C@H](Cc2ccco2)O1 258559163 573163827 /nfs/dbraw/zinc/16/38/27/573163827.db2.gz OXDIDCQYCQKANW-CBAPKCEASA-N 0 3 167.208 1.157 10 0 ADAEHN Cc1nc([C@H]2CCN2)cs1 104675257 573163545 /nfs/dbraw/zinc/16/35/45/573163545.db2.gz SZVILIRIYQTQIA-ZCFIWIBFSA-N 0 3 154.238 1.486 10 0 ADAEHN CC(C)=CCNCc1ncccc1[O-] 308507460 573163581 /nfs/dbraw/zinc/16/35/81/573163581.db2.gz JHCPAFQRUREATP-UHFFFAOYSA-N 0 3 192.262 1.843 10 0 ADAEHN CC(C)=CC[NH2+]Cc1ncccc1[O-] 308507460 573163588 /nfs/dbraw/zinc/16/35/88/573163588.db2.gz JHCPAFQRUREATP-UHFFFAOYSA-N 0 3 192.262 1.843 10 0 ADAEHN C[C@]1(Cc2ccccc2)NCCO1 258559220 573163607 /nfs/dbraw/zinc/16/36/07/573163607.db2.gz OXFQQDMRJIVLMH-NSHDSACASA-N 0 3 177.247 1.565 10 0 ADAEHN Cc1cc(SC(C)C)nc(=NN)[nH]1 82707653 573163638 /nfs/dbraw/zinc/16/36/38/573163638.db2.gz GWSZUICIMRIDQG-UHFFFAOYSA-N 0 3 198.295 1.571 10 0 ADAEHN CC(C)N1CCCC[C@H]1[C@@H]1NCCO1 258237361 573163750 /nfs/dbraw/zinc/16/37/50/573163750.db2.gz ZIGONWVPBJXKCN-WDEREUQCSA-N 0 3 198.310 1.195 10 0 ADAEHN CN(C)[C@H]1C(C)(C)O[C@H](O)C1(C)C 238297477 573164244 /nfs/dbraw/zinc/16/42/44/573164244.db2.gz FRVBSMMPGKLVDL-SFYZADRCSA-N 0 3 187.283 1.070 10 0 ADAEHN Cc1cc(CNC(C)(C)C)n(C)n1 642854957 573164304 /nfs/dbraw/zinc/16/43/04/573164304.db2.gz HIBIHFJRSNRPEV-UHFFFAOYSA-N 0 3 181.283 1.211 10 0 ADAEHN N[C@H]1CCOc2c1ccc(F)c2O 104672960 573164385 /nfs/dbraw/zinc/16/43/85/573164385.db2.gz IJXMGVSLVSQWLH-ZETCQYMHSA-N 0 3 183.182 1.314 10 0 ADAEHN CN(C)[C@H]1C(C)(C)O[C@@H](O)C1(C)C 238297463 573164432 /nfs/dbraw/zinc/16/44/32/573164432.db2.gz FRVBSMMPGKLVDL-HTQZYQBOSA-N 0 3 187.283 1.070 10 0 ADAEHN CC(C)[C@H]([NH3+])c1cncc([O-])c1 104673849 573164454 /nfs/dbraw/zinc/16/44/54/573164454.db2.gz OHIFDUYEPIRUKQ-VIFPVBQESA-N 0 3 166.224 1.443 10 0 ADAEHN CCC1([C@H]2CNCCO2)CCC1 642855782 573164462 /nfs/dbraw/zinc/16/44/62/573164462.db2.gz FYLMCPUVMZKSNF-SECBINFHSA-N 0 3 169.268 1.555 10 0 ADAEHN Cc1ccc(C)n1N[C@@H]1CCN(C)C1 85829951 573164485 /nfs/dbraw/zinc/16/44/85/573164485.db2.gz BBHHRRLTUKISGT-LLVKDONJSA-N 0 3 193.294 1.353 10 0 ADAEHN CC[C@H](C)C(=O)C[C@@H]1COC[C@H](C)N1 379521423 573164509 /nfs/dbraw/zinc/16/45/09/573164509.db2.gz HANSBJVDKHITGL-LPEHRKFASA-N 0 3 199.294 1.369 10 0 ADAEHN O[C@@H]1CCC[C@H](c2cccc(F)c2)N1 258559043 573164517 /nfs/dbraw/zinc/16/45/17/573164517.db2.gz IFDVGGZGFZZMLK-GHMZBOCLSA-N 0 3 195.237 1.959 10 0 ADAEHN [NH3+][C@H](c1cncc([O-])c1)C1CC1 104674650 573164523 /nfs/dbraw/zinc/16/45/23/573164523.db2.gz KYXKMYRWLCFHTA-VIFPVBQESA-N 0 3 164.208 1.197 10 0 ADAEHN CC(=O)CC[C@H](c1cc[nH]c1)N(C)C 259349893 573164526 /nfs/dbraw/zinc/16/45/26/573164526.db2.gz FPAIIFUUKIQCLZ-LLVKDONJSA-N 0 3 194.278 1.987 10 0 ADAEHN c1ccn(N[C@@H]2CN3CCC2CC3)c1 85828404 573164657 /nfs/dbraw/zinc/16/46/57/573164657.db2.gz WGTPDUMYEVLKHO-LLVKDONJSA-N 0 3 191.278 1.126 10 0 ADAEHN CN1CCN(CCCC(F)F)CC1 688735886 573164663 /nfs/dbraw/zinc/16/46/63/573164663.db2.gz RMGNRENZXKVVFE-UHFFFAOYSA-N 0 3 192.253 1.279 10 0 ADAEHN C[C@@H]1CSC(C)(C)N1 82707749 573164700 /nfs/dbraw/zinc/16/47/00/573164700.db2.gz LKEWUORNQMKADY-RXMQYKEDSA-N 0 3 131.244 1.447 10 0 ADAEHN c1ccn(N[C@H]2CN3CCC2CC3)c1 85828406 573164731 /nfs/dbraw/zinc/16/47/31/573164731.db2.gz WGTPDUMYEVLKHO-NSHDSACASA-N 0 3 191.278 1.126 10 0 ADAEHN CC(C)Sc1cccc(C(=N)N)n1 82738337 573164854 /nfs/dbraw/zinc/16/48/54/573164854.db2.gz VEZGWMBCJLAPQW-UHFFFAOYSA-N 0 3 195.291 1.866 10 0 ADAEHN CC(C)N1CCCC[C@@H]1[C@H]1NCCO1 258237353 573164916 /nfs/dbraw/zinc/16/49/16/573164916.db2.gz ZIGONWVPBJXKCN-MNOVXSKESA-N 0 3 198.310 1.195 10 0 ADAEHN CC[C@](N)(O)c1ccccc1C=O 238296931 573165132 /nfs/dbraw/zinc/16/51/32/573165132.db2.gz QBFUEICXZKWBDL-JTQLQIEISA-N 0 3 179.219 1.013 10 0 ADAEHN Clc1ccc([C@H]2CCN2)nc1 104673316 573165144 /nfs/dbraw/zinc/16/51/44/573165144.db2.gz DTXGOMPMFSLYOP-MRVPVSSYSA-N 0 3 168.627 1.769 10 0 ADAEHN [NH3+][C@H]1CCc2cc([O-])c(F)cc21 104672912 573165154 /nfs/dbraw/zinc/16/51/54/573165154.db2.gz XVQRFSWLJUBBSL-QMMMGPOBSA-N 0 3 167.183 1.477 10 0 ADAEHN CNc1nc(C)cc(C)c1C1(N)CC1 104675393 573165236 /nfs/dbraw/zinc/16/52/36/573165236.db2.gz CQGPMXLWWLIESI-UHFFFAOYSA-N 0 3 191.278 1.688 10 0 ADAEHN CC[C@](N)(O)c1ccc(C=O)cc1 238296892 573165272 /nfs/dbraw/zinc/16/52/72/573165272.db2.gz PYMFMGROAYXIRZ-JTQLQIEISA-N 0 3 179.219 1.013 10 0 ADAEHN CCc1cccnc1[C@@H](N)[C@@H](C)O 104674545 573165313 /nfs/dbraw/zinc/16/53/13/573165313.db2.gz KXZWMTJZLNQWMY-APPZFPTMSA-N 0 3 180.251 1.025 10 0 ADAEHN CC[C@H](C)C(=O)C[C@@H]1COC[C@@H](C)N1 379521422 573165427 /nfs/dbraw/zinc/16/54/27/573165427.db2.gz HANSBJVDKHITGL-IVZWLZJFSA-N 0 3 199.294 1.369 10 0 ADAEHN CSc1cccc(C(=N)N)n1 82738338 573165444 /nfs/dbraw/zinc/16/54/44/573165444.db2.gz STEYONGXXINXTC-UHFFFAOYSA-N 0 3 167.237 1.088 10 0 ADAEHN Fc1cnccc1[C@H]1CCN1 104674873 573165448 /nfs/dbraw/zinc/16/54/48/573165448.db2.gz DQIHUIKCRUWWMC-MRVPVSSYSA-N 0 3 152.172 1.255 10 0 ADAEHN C[C@@]1(c2ccccc2O)C[C@H]1N 258563909 573165468 /nfs/dbraw/zinc/16/54/68/573165468.db2.gz QUQCMFGIMUNMDN-ZJUUUORDSA-N 0 3 163.220 1.381 10 0 ADAEHN CC[C@@H](N)c1ccc[nH]c1=S 104673191 573165506 /nfs/dbraw/zinc/16/55/06/573165506.db2.gz AISNRJRVQUZASW-SSDOTTSWSA-N 0 3 168.265 1.780 10 0 ADAEHN CN1CCC(c2cc(C=O)n[nH]2)CC1 259352386 573166324 /nfs/dbraw/zinc/16/63/24/573166324.db2.gz UKUDFVFWWGPJBO-UHFFFAOYSA-N 0 3 193.250 1.031 10 0 ADAEHN Cc1nc([C@@H]2CCN2)cs1 104675254 573165760 /nfs/dbraw/zinc/16/57/60/573165760.db2.gz SZVILIRIYQTQIA-LURJTMIESA-N 0 3 154.238 1.486 10 0 ADAEHN CN1CCC(c2cc(C=O)[nH]n2)CC1 259352386 573166329 /nfs/dbraw/zinc/16/63/29/573166329.db2.gz UKUDFVFWWGPJBO-UHFFFAOYSA-N 0 3 193.250 1.031 10 0 ADAEHN NC[C@H](N)c1ccsc1Cl 104674145 573165967 /nfs/dbraw/zinc/16/59/67/573165967.db2.gz RYTSMLNZRPGMDV-YFKPBYRVSA-N 0 3 176.672 1.360 10 0 ADAEHN CCOCCc1nc([C@@H](C)NC)c[nH]1 308511572 573165977 /nfs/dbraw/zinc/16/59/77/573165977.db2.gz CJVGKRGYEMJAPR-MRVPVSSYSA-N 0 3 197.282 1.269 10 0 ADAEHN CC(=O)[C@H](N)C1CCCC1 104673451 573166175 /nfs/dbraw/zinc/16/61/75/573166175.db2.gz PKBIGXQYDHTESA-QMMMGPOBSA-N 0 3 141.214 1.093 10 0 ADAEHN CC(C)(C)Cc1nc2c([nH]1)CNCC2 258561837 573166232 /nfs/dbraw/zinc/16/62/32/573166232.db2.gz IITFYJIWIMORMV-UHFFFAOYSA-N 0 3 193.294 1.644 10 0 ADAEHN Cn1cc([C@@H](N)O)c2ccccc21 259352647 573166272 /nfs/dbraw/zinc/16/62/72/573166272.db2.gz JWPWKGUVPOKQJG-JTQLQIEISA-N 0 3 176.219 1.128 10 0 ADAEHN CCCSc1cc(C)nc(NN)n1 82707655 573166285 /nfs/dbraw/zinc/16/62/85/573166285.db2.gz UBIXFTDZFSLCGW-UHFFFAOYSA-N 0 3 198.295 1.573 10 0 ADAEHN CC[C@](C)(C(C)=O)N1CC[C@H](CO)C1 388685275 573166956 /nfs/dbraw/zinc/16/69/56/573166956.db2.gz KIARTPWKMUACQU-WDEREUQCSA-N 0 3 199.294 1.058 10 0 ADAEHN CCCN[C@@H](C)c1cnnn1C1CC1 308511645 573166980 /nfs/dbraw/zinc/16/69/80/573166980.db2.gz SHAWFUJRJGEMSJ-QMMMGPOBSA-N 0 3 194.282 1.674 10 0 ADAEHN CC(C)CN1CCCN[C@H](C)CC1=O 259351223 573166990 /nfs/dbraw/zinc/16/69/90/573166990.db2.gz JRQISIKVVUNZAR-SNVBAGLBSA-N 0 3 198.310 1.243 10 0 ADAEHN CCn1ccnc1Nn1cccc1 85832290 573167183 /nfs/dbraw/zinc/16/71/83/573167183.db2.gz ALLRCNIUXDAWPE-UHFFFAOYSA-N 0 3 176.223 1.580 10 0 ADAEHN N[C@@H]1CCOc2c1ccc(F)c2O 104672958 573167249 /nfs/dbraw/zinc/16/72/49/573167249.db2.gz IJXMGVSLVSQWLH-SSDOTTSWSA-N 0 3 183.182 1.314 10 0 ADAEHN CCCN[C@H](C)c1cnnn1C1CC1 308511644 573167269 /nfs/dbraw/zinc/16/72/69/573167269.db2.gz SHAWFUJRJGEMSJ-MRVPVSSYSA-N 0 3 194.282 1.674 10 0 ADAEHN CCn1nc(C(C)C)c(CN)c1OC 257957533 573167314 /nfs/dbraw/zinc/16/73/14/573167314.db2.gz MWGWPWRWTXVYMB-UHFFFAOYSA-N 0 3 197.282 1.494 10 0 ADAEHN NN=c1[nH]ccc2c(F)ccc(F)c12 123759648 573168060 /nfs/dbraw/zinc/16/80/60/573168060.db2.gz SVZMVBJNIDWPMM-UHFFFAOYSA-N 0 3 195.172 1.799 10 0 ADAEHN NNc1nccc2c(F)ccc(F)c12 123759648 573168066 /nfs/dbraw/zinc/16/80/66/573168066.db2.gz SVZMVBJNIDWPMM-UHFFFAOYSA-N 0 3 195.172 1.799 10 0 ADAEHN N[C@H]1CCOc2c(F)cc(O)cc21 104672972 573167380 /nfs/dbraw/zinc/16/73/80/573167380.db2.gz BRQMPJXVWDEJBK-QMMMGPOBSA-N 0 3 183.182 1.314 10 0 ADAEHN CC(C)N1CCCC[C@H]1[C@H]1NCCO1 258237358 573167454 /nfs/dbraw/zinc/16/74/54/573167454.db2.gz ZIGONWVPBJXKCN-QWRGUYRKSA-N 0 3 198.310 1.195 10 0 ADAEHN [NH3+][C@H](CC1CC1)c1cncc([O-])c1 104674655 573167459 /nfs/dbraw/zinc/16/74/59/573167459.db2.gz LRXIEOAACPIEMY-SNVBAGLBSA-N 0 3 178.235 1.587 10 0 ADAEHN CCOCCc1nc([C@H](C)NC)c[nH]1 308511574 573167463 /nfs/dbraw/zinc/16/74/63/573167463.db2.gz CJVGKRGYEMJAPR-QMMMGPOBSA-N 0 3 197.282 1.269 10 0 ADAEHN N[C@H]1COc2c1ccc1c2CCO1 104673792 573167517 /nfs/dbraw/zinc/16/75/17/573167517.db2.gz SIMPLNPHWLTMSD-QMMMGPOBSA-N 0 3 177.203 1.014 10 0 ADAEHN CC[C@H]([NH3+])c1cncc([O-])c1 104673845 573167605 /nfs/dbraw/zinc/16/76/05/573167605.db2.gz HOSIMHZOUOQSCZ-QMMMGPOBSA-N 0 3 152.197 1.197 10 0 ADAEHN CCc1c(O)ccc2c1[C@H](N)CO2 238302925 573167633 /nfs/dbraw/zinc/16/76/33/573167633.db2.gz IGHIUHJGPOUMMH-SSDOTTSWSA-N 0 3 179.219 1.347 10 0 ADAEHN Oc1cccc([C@@H]2CCC[C@@H](O)N2)c1 258562101 573167655 /nfs/dbraw/zinc/16/76/55/573167655.db2.gz ILAWDWDEZRVQNE-WDEREUQCSA-N 0 3 193.246 1.525 10 0 ADAEHN CC(=O)[C@@H](N)C1CCCC1 104673455 573167661 /nfs/dbraw/zinc/16/76/61/573167661.db2.gz PKBIGXQYDHTESA-MRVPVSSYSA-N 0 3 141.214 1.093 10 0 ADAEHN Cn1cc([C@H](N)O)c2ccccc21 259352651 573167697 /nfs/dbraw/zinc/16/76/97/573167697.db2.gz JWPWKGUVPOKQJG-SNVBAGLBSA-N 0 3 176.219 1.128 10 0 ADAEHN Oc1cccc([C@H]2CCC[C@H](O)N2)c1 258562094 573167781 /nfs/dbraw/zinc/16/77/81/573167781.db2.gz ILAWDWDEZRVQNE-MNOVXSKESA-N 0 3 193.246 1.525 10 0 ADAEHN CCc1c(O)ccc2c1OC[C@@H]2N 238303000 573167797 /nfs/dbraw/zinc/16/77/97/573167797.db2.gz HHRZTJWOGRZUEP-QMMMGPOBSA-N 0 3 179.219 1.347 10 0 ADAEHN N[C@@H](c1ccc[nH]c1=S)C1CC1 104673212 573167799 /nfs/dbraw/zinc/16/77/99/573167799.db2.gz NWODRPWQYBGMCI-MRVPVSSYSA-N 0 3 180.276 1.780 10 0 ADAEHN CC(C)(C)OCCNCc1c[nH]cn1 308513451 573167845 /nfs/dbraw/zinc/16/78/45/573167845.db2.gz OOKMUFLJSYIPHI-UHFFFAOYSA-N 0 3 197.282 1.314 10 0 ADAEHN Oc1cccc([C@@H]2CCC[C@H](O)N2)c1 258562098 573167847 /nfs/dbraw/zinc/16/78/47/573167847.db2.gz ILAWDWDEZRVQNE-QWRGUYRKSA-N 0 3 193.246 1.525 10 0 ADAEHN CC(C)(C)OCCNCc1cnc[nH]1 308513451 573167852 /nfs/dbraw/zinc/16/78/52/573167852.db2.gz OOKMUFLJSYIPHI-UHFFFAOYSA-N 0 3 197.282 1.314 10 0 ADAEHN [NH3+][C@@H]1CCc2c1ccc([O-])c2F 104672903 573167900 /nfs/dbraw/zinc/16/79/00/573167900.db2.gz AMVLGVUYYUWBDN-SSDOTTSWSA-N 0 3 167.183 1.477 10 0 ADAEHN CC[C@@H]1CCC(=O)C(C)C1=O 238303423 573167907 /nfs/dbraw/zinc/16/79/07/573167907.db2.gz BOMBXEUKFJKRDK-NKWVEPMBSA-N 0 3 154.209 1.581 10 0 ADAEHN N[C@H]1CCOc2c(O)cc(F)cc21 104672981 573167918 /nfs/dbraw/zinc/16/79/18/573167918.db2.gz ZYFQRAPXOYEVSL-ZETCQYMHSA-N 0 3 183.182 1.314 10 0 ADAEHN N[C@@H]1CNCc2scc(C3CC3)c21 211586325 573167919 /nfs/dbraw/zinc/16/79/19/573167919.db2.gz YCISSSIWPFDOMF-MRVPVSSYSA-N 0 3 194.303 1.729 10 0 ADAEHN Nc1ccnc([C@@H](N)C2CC2)c1 104674260 573167949 /nfs/dbraw/zinc/16/79/49/573167949.db2.gz FSZCGUKGOZVMCH-VIFPVBQESA-N 0 3 163.224 1.074 10 0 ADAEHN Nc1ccnc([C@H]2CCCCN2)c1 104675001 573168385 /nfs/dbraw/zinc/16/83/85/573168385.db2.gz HCYTWPFUKBOCSJ-SECBINFHSA-N 0 3 177.251 1.478 10 0 ADAEHN CCc1cccnc1[C@@H](N)[C@H](C)O 104674548 573168344 /nfs/dbraw/zinc/16/83/44/573168344.db2.gz KXZWMTJZLNQWMY-CBAPKCEASA-N 0 3 180.251 1.025 10 0 ADAEHN CC[C@@](C)(C(C)=O)N1CC[C@@H](CO)C1 388685259 573168354 /nfs/dbraw/zinc/16/83/54/573168354.db2.gz KIARTPWKMUACQU-MNOVXSKESA-N 0 3 199.294 1.058 10 0 ADAEHN COC[C@@H](N)c1cccc(N)c1C 104675342 573168453 /nfs/dbraw/zinc/16/84/53/573168453.db2.gz POBXWZBZTNBRJA-SNVBAGLBSA-N 0 3 180.251 1.223 10 0 ADAEHN CCOc1cccc2c1[C@@H](N)CC2=O 238303669 573168463 /nfs/dbraw/zinc/16/84/63/573168463.db2.gz NVLDGRMLAYLRRL-QMMMGPOBSA-N 0 3 191.230 1.672 10 0 ADAEHN CCC[C@H]([NH3+])c1cncc([O-])c1 104673853 573168487 /nfs/dbraw/zinc/16/84/87/573168487.db2.gz UIZPFOPMYWJONV-VIFPVBQESA-N 0 3 166.224 1.587 10 0 ADAEHN NC[C@H](O)c1cc2[nH]ccc2cc1F 82321784 573168565 /nfs/dbraw/zinc/16/85/65/573168565.db2.gz LXGBGIIZNXLNER-JTQLQIEISA-N 0 3 194.209 1.299 10 0 ADAEHN [NH3+][C@@H](CC1CC1)c1cncc([O-])c1 104674658 573168650 /nfs/dbraw/zinc/16/86/50/573168650.db2.gz LRXIEOAACPIEMY-JTQLQIEISA-N 0 3 178.235 1.587 10 0 ADAEHN CC[C@H](C)C(=O)C[C@H]1COC[C@H](C)N1 379521421 573168702 /nfs/dbraw/zinc/16/87/02/573168702.db2.gz HANSBJVDKHITGL-GUBZILKMSA-N 0 3 199.294 1.369 10 0 ADAEHN Cc1ccc([C@H](N)[C@@H](C)O)cc1O 104672793 573168729 /nfs/dbraw/zinc/16/87/29/573168729.db2.gz ILJNWXNGTIJVPJ-GMSGAONNSA-N 0 3 181.235 1.081 10 0 ADAEHN Cc1ccc(C)n1Nc1nccn1C 85832327 573168777 /nfs/dbraw/zinc/16/87/77/573168777.db2.gz DXPUFIFBHZJWKV-UHFFFAOYSA-N 0 3 190.250 1.714 10 0 ADAEHN N[C@@H]1CCOc2c(F)cc(O)cc21 104672967 573168807 /nfs/dbraw/zinc/16/88/07/573168807.db2.gz BRQMPJXVWDEJBK-MRVPVSSYSA-N 0 3 183.182 1.314 10 0 ADAEHN O=c1cccc([C@H]2CCCCN2)[nH]1 104673368 573168871 /nfs/dbraw/zinc/16/88/71/573168871.db2.gz WLEYJWDGSOPKCI-MRVPVSSYSA-N 0 3 178.235 1.602 10 0 ADAEHN Cc1ccc([C@@H](N)C[S@](C)=O)cc1 82754997 573169402 /nfs/dbraw/zinc/16/94/02/573169402.db2.gz QHZKRCSZICSBFM-GXFFZTMASA-N 0 3 197.303 1.373 10 0 ADAEHN [NH3+][C@H]1CCc2c1ccc([O-])c2F 104672907 573168971 /nfs/dbraw/zinc/16/89/71/573168971.db2.gz AMVLGVUYYUWBDN-ZETCQYMHSA-N 0 3 167.183 1.477 10 0 ADAEHN CC[C@H](C)C(=O)C[C@H]1COC[C@@H](C)N1 379521420 573169079 /nfs/dbraw/zinc/16/90/79/573169079.db2.gz HANSBJVDKHITGL-AEJSXWLSSA-N 0 3 199.294 1.369 10 0 ADAEHN C[C@]1(c2ccccc2O)C[C@H]1N 258563906 573169099 /nfs/dbraw/zinc/16/90/99/573169099.db2.gz QUQCMFGIMUNMDN-NXEZZACHSA-N 0 3 163.220 1.381 10 0 ADAEHN CCc1c(O)ccc2c1[C@@H](N)CO2 238302936 573169175 /nfs/dbraw/zinc/16/91/75/573169175.db2.gz IGHIUHJGPOUMMH-ZETCQYMHSA-N 0 3 179.219 1.347 10 0 ADAEHN CC(C)[C@H](N)c1cccc(CO)n1 104674232 573169189 /nfs/dbraw/zinc/16/91/89/573169189.db2.gz GPHXKAREWIPAGQ-JTQLQIEISA-N 0 3 180.251 1.230 10 0 ADAEHN NC1([C@@H](F)c2ccc(O)cc2)CC1 257957555 573169230 /nfs/dbraw/zinc/16/92/30/573169230.db2.gz WZLHWOHGWXIADJ-VIFPVBQESA-N 0 3 181.210 1.894 10 0 ADAEHN CC[C@]1(C)CC(=O)[C@@H](C)CN1 238303320 573169254 /nfs/dbraw/zinc/16/92/54/573169254.db2.gz RCYAYEOMNDTHMN-IONNQARKSA-N 0 3 155.241 1.354 10 0 ADAEHN CC(C)n1cnnc1[C@](C)(N)C1CC1 82757496 573169384 /nfs/dbraw/zinc/16/93/84/573169384.db2.gz RIISHKBDRSVFMP-SNVBAGLBSA-N 0 3 194.282 1.443 10 0 ADAEHN Oc1cccc([C@H]2CCC[C@@H](O)N2)c1 258562090 573169332 /nfs/dbraw/zinc/16/93/32/573169332.db2.gz ILAWDWDEZRVQNE-GHMZBOCLSA-N 0 3 193.246 1.525 10 0 ADAEHN CC[C@H](CCO)NCc1ccoc1 125799385 573170239 /nfs/dbraw/zinc/17/02/39/573170239.db2.gz VUBXTAITUXSYBU-SNVBAGLBSA-N 0 3 183.251 1.530 10 0 ADAEHN Cc1ccccc1[C@@H](N)C[S@](C)=O 82755268 573169593 /nfs/dbraw/zinc/16/95/93/573169593.db2.gz NYBCCYGQPFSJQP-GXFFZTMASA-N 0 3 197.303 1.373 10 0 ADAEHN COc1c(C)ccc2c1OCC[C@H]2N 104675574 573169673 /nfs/dbraw/zinc/16/96/73/573169673.db2.gz LTVBZZORWYUORB-SECBINFHSA-N 0 3 193.246 1.786 10 0 ADAEHN CCOc1cccc2c1[C@@H](N)CCO2 238303722 573169690 /nfs/dbraw/zinc/16/96/90/573169690.db2.gz SDNRPVGZYUNQJT-QMMMGPOBSA-N 0 3 193.246 1.868 10 0 ADAEHN OC1(CN2CC(C(F)F)C2)CCC1 642857047 573169715 /nfs/dbraw/zinc/16/97/15/573169715.db2.gz FKHUASASMUINOO-UHFFFAOYSA-N 0 3 191.221 1.098 10 0 ADAEHN Cc1cc(C)c(N)c([C@@H](N)[C@H](C)O)c1 104676623 573169900 /nfs/dbraw/zinc/16/99/00/573169900.db2.gz BCUJRUBFNISVFW-KWQFWETISA-N 0 3 194.278 1.266 10 0 ADAEHN CC[C@]1(C)CC(=O)C[C@@H](C)N1C 238303266 573169902 /nfs/dbraw/zinc/16/99/02/573169902.db2.gz WJZIWJNPEHMTNJ-PSASIEDQSA-N 0 3 169.268 1.838 10 0 ADAEHN Cc1cnc(N)c([C@H]2CCCCN2)c1 104677093 573169926 /nfs/dbraw/zinc/16/99/26/573169926.db2.gz KYHKSOZTJLDPDS-SNVBAGLBSA-N 0 3 191.278 1.787 10 0 ADAEHN OC[C@H]1C[C@@H]1NCc1cccc(F)c1 308508143 573170003 /nfs/dbraw/zinc/17/00/03/573170003.db2.gz HIGHAQPVYLLTAX-KOLCDFICSA-N 0 3 195.237 1.296 10 0 ADAEHN C/C=C/CN[C@H](C(N)=O)C(C)(C)C 308291638 573170046 /nfs/dbraw/zinc/17/00/46/573170046.db2.gz HLBYRFTYNBUAAS-HQZHTGGTSA-N 0 3 184.283 1.052 10 0 ADAEHN CC(C)n1cnnc1[C@@](C)(N)C1CC1 82757497 573170020 /nfs/dbraw/zinc/17/00/20/573170020.db2.gz RIISHKBDRSVFMP-JTQLQIEISA-N 0 3 194.282 1.443 10 0 ADAEHN CCc1c(C)ccc2c1[C@@H](N)CO2 238298701 573170252 /nfs/dbraw/zinc/17/02/52/573170252.db2.gz RTKVDPLFXIQACX-VIFPVBQESA-N 0 3 177.247 1.950 10 0 ADAEHN CCc1c(O)ccc2c1[C@H](N)CCO2 238302904 573170269 /nfs/dbraw/zinc/17/02/69/573170269.db2.gz LVROTYVPKKHTNE-MRVPVSSYSA-N 0 3 193.246 1.737 10 0 ADAEHN CCOc1cccc2c1[C@H](N)CC2=O 238303658 573170322 /nfs/dbraw/zinc/17/03/22/573170322.db2.gz NVLDGRMLAYLRRL-MRVPVSSYSA-N 0 3 191.230 1.672 10 0 ADAEHN COC(CN1CCC=C(C)C1)OC 308291705 573170359 /nfs/dbraw/zinc/17/03/59/573170359.db2.gz FLGQMQCRTQWESB-UHFFFAOYSA-N 0 3 185.267 1.257 10 0 ADAEHN CC[C@]1(C)CC(=O)[C@H](C)CN1C 238303369 573170379 /nfs/dbraw/zinc/17/03/79/573170379.db2.gz AJZDNOXUICHEIO-PSASIEDQSA-N 0 3 169.268 1.696 10 0 ADAEHN Cc1ccccc1[C@H](N)C[S@@](C)=O 82755269 573170403 /nfs/dbraw/zinc/17/04/03/573170403.db2.gz NYBCCYGQPFSJQP-MFKMUULPSA-N 0 3 197.303 1.373 10 0 ADAEHN CCc1c(O)ccc2c1[C@@H](N)CCO2 238302912 573170407 /nfs/dbraw/zinc/17/04/07/573170407.db2.gz LVROTYVPKKHTNE-QMMMGPOBSA-N 0 3 193.246 1.737 10 0 ADAEHN CC[C@@H](CCO)NCc1ccoc1 125799127 573170505 /nfs/dbraw/zinc/17/05/05/573170505.db2.gz VUBXTAITUXSYBU-JTQLQIEISA-N 0 3 183.251 1.530 10 0 ADAEHN Cc1ccc([C@@H](N)C[S@@](C)=O)cc1 82754999 573170546 /nfs/dbraw/zinc/17/05/46/573170546.db2.gz QHZKRCSZICSBFM-GWCFXTLKSA-N 0 3 197.303 1.373 10 0 ADAEHN FCCCN[C@H]1CCCc2n[nH]cc21 308508911 573170633 /nfs/dbraw/zinc/17/06/33/573170633.db2.gz HYJARYRHWYVRIL-VIFPVBQESA-N 0 3 197.257 1.736 10 0 ADAEHN CSc1cc([C@@H](N)CO)ccc1C 257958230 573170670 /nfs/dbraw/zinc/17/06/70/573170670.db2.gz BPUQGPJVCRTXIK-VIFPVBQESA-N 0 3 197.303 1.709 10 0 ADAEHN CN[C@H](O)c1cc(C)c(OC)c(C)c1 259351946 573170715 /nfs/dbraw/zinc/17/07/15/573170715.db2.gz KRNBBBLQTJKVPM-LLVKDONJSA-N 0 3 195.262 1.522 10 0 ADAEHN CC[C@@H]1CCC(=O)C(C)C1=O 238303313 573172235 /nfs/dbraw/zinc/17/22/35/573172235.db2.gz BOMBXEUKFJKRDK-RNFRBKRXSA-N 0 3 154.209 1.581 10 0 ADAEHN COC(CN1CCC[C@H]2C[C@H]21)OC 308290652 573170976 /nfs/dbraw/zinc/17/09/76/573170976.db2.gz DPCIARDOBMNSQU-DTWKUNHWSA-N 0 3 185.267 1.090 10 0 ADAEHN C[C@H]([C@H](N)c1ccccc1)[S@](C)=O 82755001 573171059 /nfs/dbraw/zinc/17/10/59/573171059.db2.gz CKHNRUITJZNUGM-DFAYQTQMSA-N 0 3 197.303 1.453 10 0 ADAEHN [NH3+]C1(c2ccc([O-])c(F)c2)CC1 104678402 573171066 /nfs/dbraw/zinc/17/10/66/573171066.db2.gz RNDCGGOYWKJVHX-UHFFFAOYSA-N 0 3 167.183 1.479 10 0 ADAEHN OC[C@H]1C[C@H]1NCc1cccc(F)c1 308508144 573171102 /nfs/dbraw/zinc/17/11/02/573171102.db2.gz HIGHAQPVYLLTAX-MWLCHTKSSA-N 0 3 195.237 1.296 10 0 ADAEHN CCn1nc(CN)cc1C1CCC1 257957734 573171112 /nfs/dbraw/zinc/17/11/12/573171112.db2.gz XCTQVFVWSKNWGR-UHFFFAOYSA-N 0 3 179.267 1.629 10 0 ADAEHN NC1(c2ccnc(Cl)n2)CC1 104676747 573171145 /nfs/dbraw/zinc/17/11/45/573171145.db2.gz HCDFACRMLGESAZ-UHFFFAOYSA-N 0 3 169.615 1.078 10 0 ADAEHN OC[C@@H]1C[C@@H]1NCc1cccc(F)c1 308508145 573171221 /nfs/dbraw/zinc/17/12/21/573171221.db2.gz HIGHAQPVYLLTAX-ONGXEEELSA-N 0 3 195.237 1.296 10 0 ADAEHN c1cc(N2CCCC2)oc1[C@@H]1CCN1 104678023 573171224 /nfs/dbraw/zinc/17/12/24/573171224.db2.gz FILYGFULDZYMOH-VIFPVBQESA-N 0 3 192.262 1.914 10 0 ADAEHN CCOc1cccc2c1[C@H](N)CCO2 238303710 573171876 /nfs/dbraw/zinc/17/18/76/573171876.db2.gz SDNRPVGZYUNQJT-MRVPVSSYSA-N 0 3 193.246 1.868 10 0 ADAEHN N[C@@H]1CCOc2c1ccc1c2OCO1 104677311 573171272 /nfs/dbraw/zinc/17/12/72/573171272.db2.gz BDOQUHRFWFPHAT-SSDOTTSWSA-N 0 3 193.202 1.198 10 0 ADAEHN CC(C)CN1CCCN[C@@H](C)CC1=O 259351220 573171327 /nfs/dbraw/zinc/17/13/27/573171327.db2.gz JRQISIKVVUNZAR-JTQLQIEISA-N 0 3 198.310 1.243 10 0 ADAEHN Cc1csc([C@@H](N)CO)c1Cl 104677126 573171466 /nfs/dbraw/zinc/17/14/66/573171466.db2.gz MGHQGMQMIURZRQ-YFKPBYRVSA-N 0 3 191.683 1.702 10 0 ADAEHN N[C@@H]1CCc2nc(C3CC3)ncc21 107297931 573171510 /nfs/dbraw/zinc/17/15/10/573171510.db2.gz FINFOYLJDFKPQT-MRVPVSSYSA-N 0 3 175.235 1.300 10 0 ADAEHN CC[C@]1(C)CC(=O)[C@@H](C)CN1C 238303334 573171512 /nfs/dbraw/zinc/17/15/12/573171512.db2.gz AJZDNOXUICHEIO-WCBMZHEXSA-N 0 3 169.268 1.696 10 0 ADAEHN C/C=C\CN[C@@H](C(N)=O)C(C)(C)C 308291641 573173111 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/nfs/dbraw/zinc/26/95/25/573269525.db2.gz XGUJIBQAVMJYCK-UHFFFAOYSA-N 0 3 194.282 1.298 10 0 ADAEHN CSCC[C@H](O)[C@H]1CCN(C)C1 259060031 573269292 /nfs/dbraw/zinc/26/92/92/573269292.db2.gz GVVLOJFPNSHQHU-IUCAKERBSA-N 0 3 189.324 1.052 10 0 ADAEHN CN[C@H](C)c1ccc(N)cc1F 238335073 573269344 /nfs/dbraw/zinc/26/93/44/573269344.db2.gz QOKCJENPIPETHL-ZCFIWIBFSA-N 0 3 168.215 1.688 10 0 ADAEHN COc1cc(F)cc([O-])c1C[C@H](C)[NH3+] 258275395 573269406 /nfs/dbraw/zinc/26/94/06/573269406.db2.gz ZOKPYHOXNAHHPI-LURJTMIESA-N 0 3 199.225 1.430 10 0 ADAEHN NCc1cc(F)ccc1C=O 257984989 573269434 /nfs/dbraw/zinc/26/94/34/573269434.db2.gz KBYWWCGGEWDSBX-UHFFFAOYSA-N 0 3 153.156 1.097 10 0 ADAEHN COC(=O)C/C=C\CN1CCCC1 258269149 573269438 /nfs/dbraw/zinc/26/94/38/573269438.db2.gz RTZDSLZCLKNYRI-IHWYPQMZSA-N 0 3 183.251 1.202 10 0 ADAEHN CCC(=O)CN1CCCC[C@H]1CCO 50180233 573269496 /nfs/dbraw/zinc/26/94/96/573269496.db2.gz RDJNWIRTAWLDQE-JTQLQIEISA-N 0 3 199.294 1.202 10 0 ADAEHN Cc1c[nH]c(CN(C)C)c1C 238328781 573269529 /nfs/dbraw/zinc/26/95/29/573269529.db2.gz JUNPZGKFOMXBEX-UHFFFAOYSA-N 0 3 152.241 1.693 10 0 ADAEHN CC[C@@H]1C[C@H]1NCc1snnc1C 308337867 573269555 /nfs/dbraw/zinc/26/95/55/573269555.db2.gz OZGJCRUAHNIORD-HTQZYQBOSA-N 0 3 197.307 1.735 10 0 ADAEHN Nc1ccnc(CSCCCO)c1 86135144 573269556 /nfs/dbraw/zinc/26/95/56/573269556.db2.gz BOAZPNYBRVAFCO-UHFFFAOYSA-N 0 3 198.291 1.279 10 0 ADAEHN CCC(=O)CN(CC)CC(C)C 50179769 573269563 /nfs/dbraw/zinc/26/95/63/573269563.db2.gz LLLXDSJKUZNSGQ-UHFFFAOYSA-N 0 3 171.284 1.943 10 0 ADAEHN COc1cc(F)cc([O-])c1C[C@@H](C)[NH3+] 258275398 573269664 /nfs/dbraw/zinc/26/96/64/573269664.db2.gz ZOKPYHOXNAHHPI-ZCFIWIBFSA-N 0 3 199.225 1.430 10 0 ADAEHN CN1CC[C@@H](c2nc(CO)cs2)C1 258141798 573269696 /nfs/dbraw/zinc/26/96/96/573269696.db2.gz PWCLGQYQGMDUFS-SSDOTTSWSA-N 0 3 198.291 1.055 10 0 ADAEHN C[C@]1(C[C@H]2CCCS2)NCCO1 258269117 573269730 /nfs/dbraw/zinc/26/97/30/573269730.db2.gz BEYITKXWLJKSBB-BDAKNGLRSA-N 0 3 187.308 1.608 10 0 ADAEHN 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198.291 1.237 10 0 ADAEHN Cc1ncc([C@H]2NCCC[C@H]2O)s1 74237246 573269971 /nfs/dbraw/zinc/26/99/71/573269971.db2.gz WWYNKYLCGMAQII-APPZFPTMSA-N 0 3 198.291 1.237 10 0 ADAEHN CN1[C@@H](N)CCC[C@@H]1c1cccnc1 238330079 573269975 /nfs/dbraw/zinc/26/99/75/573269975.db2.gz ZDWPATDOUYYJNS-GHMZBOCLSA-N 0 3 191.278 1.523 10 0 ADAEHN Nc1ccnc(CN2CCCC2)c1 86134375 573269999 /nfs/dbraw/zinc/26/99/99/573269999.db2.gz SERRNTXBCGTYLX-UHFFFAOYSA-N 0 3 177.251 1.260 10 0 ADAEHN Cc1cccc(CN[C@H]2C[C@H]2C)n1 86136269 573270012 /nfs/dbraw/zinc/27/00/12/573270012.db2.gz QEHJNPIPRVIYFA-KCJUWKMLSA-N 0 3 176.263 1.888 10 0 ADAEHN COCc1csc2c1CNCC2 257986632 573270137 /nfs/dbraw/zinc/27/01/37/573270137.db2.gz KFNVGJVKZZAJDN-UHFFFAOYSA-N 0 3 183.276 1.540 10 0 ADAEHN CCC(=O)CN(C)CC(C)(C)C 50180116 573270153 /nfs/dbraw/zinc/27/01/53/573270153.db2.gz YXLDPOFAFMWQRB-UHFFFAOYSA-N 0 3 171.284 1.943 10 0 ADAEHN CN[C@H](C)c1c(N)cccc1OC 238328780 573270158 /nfs/dbraw/zinc/27/01/58/573270158.db2.gz DZUWOPJUANXAMK-SSDOTTSWSA-N 0 3 180.251 1.558 10 0 ADAEHN CNc1ccnc(CN(C)C(C)C)c1 86134406 573272443 /nfs/dbraw/zinc/27/24/43/573272443.db2.gz XKQVNHYBDHZVHE-UHFFFAOYSA-N 0 3 193.294 1.964 10 0 ADAEHN C[C@@H]1CC(=O)Nc2cnccc2N1 86158797 573270520 /nfs/dbraw/zinc/27/05/20/573270520.db2.gz JFAHEYCAFGCSRO-ZCFIWIBFSA-N 0 3 177.207 1.224 10 0 ADAEHN CCCN(CC(=O)CC)C1CC1 50179752 573270531 /nfs/dbraw/zinc/27/05/31/573270531.db2.gz RGKBBWISGXHNTM-UHFFFAOYSA-N 0 3 169.268 1.840 10 0 ADAEHN CNc1ccnc(Cn2ccnc2)c1 86134738 573270553 /nfs/dbraw/zinc/27/05/53/573270553.db2.gz VMBGHBNDWHJNST-UHFFFAOYSA-N 0 3 188.234 1.368 10 0 ADAEHN CCC(=O)CN(C)C[C@@H](C)CC 50179784 573270607 /nfs/dbraw/zinc/27/06/07/573270607.db2.gz SMMQHSKKLZBSQF-VIFPVBQESA-N 0 3 171.284 1.943 10 0 ADAEHN NCc1cc(Cl)ccc1CO 142422259 573272669 /nfs/dbraw/zinc/27/26/69/573272669.db2.gz MZPNSJBWAMSPKM-UHFFFAOYSA-N 0 3 171.627 1.291 10 0 ADAEHN CN[C@@H](C)c1ccc(Cl)nc1N 238330109 573272677 /nfs/dbraw/zinc/27/26/77/573272677.db2.gz 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186.205 1.827 10 0 ADAEHN CCc1cc(F)cc2c1[C@H](N)CO2 238330359 573279814 /nfs/dbraw/zinc/27/98/14/573279814.db2.gz MEVKHTATNVVLCO-MRVPVSSYSA-N 0 3 181.210 1.780 10 0 ADAEHN CC(C)[C@H](O)[C@@H](N)c1ccccc1F 74239721 573279924 /nfs/dbraw/zinc/27/99/24/573279924.db2.gz ZETMCQMMXZZZNF-QWRGUYRKSA-N 0 3 197.253 1.842 10 0 ADAEHN C/C=C/CN[C@H](C)c1cnn(C)c1C 308536687 573279934 /nfs/dbraw/zinc/27/99/34/573279934.db2.gz SUJWDBFLNNNBJM-VUHVRTRXSA-N 0 3 193.294 1.955 10 0 ADAEHN Nc1cnc(CNC2CCCC2)cn1 257989750 573280107 /nfs/dbraw/zinc/28/01/07/573280107.db2.gz XUMGIENVKMRGKC-UHFFFAOYSA-N 0 3 192.266 1.091 10 0 ADAEHN CN[C@H](C)c1ccc(C(C)=O)cn1 238333170 573280139 /nfs/dbraw/zinc/28/01/39/573280139.db2.gz XFZGBNNYNYBKIB-SSDOTTSWSA-N 0 3 178.235 1.565 10 0 ADAEHN CNCc1cnn2c(Cl)ccnc12 238331671 573280318 /nfs/dbraw/zinc/28/03/18/573280318.db2.gz JRWQEPLUYRUEQB-UHFFFAOYSA-N 0 3 196.641 1.102 10 0 ADAEHN Cn1cc([C@H](F)[C@@H]2CCCCN2)cn1 236087503 573280340 /nfs/dbraw/zinc/28/03/40/573280340.db2.gz 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CCC1(CNCc2ccoc2)COC1 308537553 573282332 /nfs/dbraw/zinc/28/23/32/573282332.db2.gz TVJNIWQSGNFTRF-UHFFFAOYSA-N 0 3 195.262 1.796 10 0 ADAEHN N[C@H](Cc1ccco1)c1cncs1 74246382 573282347 /nfs/dbraw/zinc/28/23/47/573282347.db2.gz OVYUBCIQJDZVBR-MRVPVSSYSA-N 0 3 194.259 1.979 10 0 ADAEHN CNCc1ncc(C)c2occc12 238332553 573282514 /nfs/dbraw/zinc/28/25/14/573282514.db2.gz VHSMAHXGQBXIIP-UHFFFAOYSA-N 0 3 176.219 1.856 10 0 ADAEHN CN[C@H](C)c1cc(N)c(F)cc1F 238332432 573282553 /nfs/dbraw/zinc/28/25/53/573282553.db2.gz ZZYHNTKTAXGEBY-RXMQYKEDSA-N 0 3 186.205 1.827 10 0 ADAEHN NCc1cncn1C/C=C/C1CC1 393580303 573282612 /nfs/dbraw/zinc/28/26/12/573282612.db2.gz GPAVTQANYFTXQQ-OWOJBTEDSA-N 0 3 177.251 1.308 10 0 ADAEHN CNCc1cnn2ccc(Cl)nc12 238331743 573282618 /nfs/dbraw/zinc/28/26/18/573282618.db2.gz ILWOBTJBQLCJNV-UHFFFAOYSA-N 0 3 196.641 1.102 10 0 ADAEHN CNCc1nc(C)cc2ccoc12 238332213 573282690 /nfs/dbraw/zinc/28/26/90/573282690.db2.gz RXCKTNCEZPNPJE-UHFFFAOYSA-N 0 3 176.219 1.856 10 0 ADAEHN CCC[C@@H](N)c1nnc2n1CCCC2 74246059 573282719 /nfs/dbraw/zinc/28/27/19/573282719.db2.gz NFQRFZLVRVMFJG-MRVPVSSYSA-N 0 3 194.282 1.414 10 0 ADAEHN Cn1cnc([C@@H](N)C2=COCCC2)c1 236092284 573282798 /nfs/dbraw/zinc/28/27/98/573282798.db2.gz QZRVARPHEOAMKA-JTQLQIEISA-N 0 3 193.250 1.114 10 0 ADAEHN CNCc1nccc2ncsc12 238332751 573282817 /nfs/dbraw/zinc/28/28/17/573282817.db2.gz PVPBFFOTLQYWFN-UHFFFAOYSA-N 0 3 179.248 1.411 10 0 ADAEHN Cn1ccnc1-c1nc(CN)cs1 74246299 573282921 /nfs/dbraw/zinc/28/29/21/573282921.db2.gz HKPNVMWAEDPOSD-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN CO[C@@H](C)CCNCc1[nH]cnc1C 308538057 573282932 /nfs/dbraw/zinc/28/29/32/573282932.db2.gz GXEIMXWMDFUAFM-QMMMGPOBSA-N 0 3 197.282 1.233 10 0 ADAEHN CN[C@@H](C)c1cccc(F)c1N 238333057 573282948 /nfs/dbraw/zinc/28/29/48/573282948.db2.gz QWMNATSFDSZRDG-LURJTMIESA-N 0 3 168.215 1.688 10 0 ADAEHN Cn1nccc1-c1nc(CN)cs1 74246300 573283479 /nfs/dbraw/zinc/28/34/79/573283479.db2.gz KLSXHKDDUJKICM-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 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FVSJVFYZKSLMON-WCBMZHEXSA-N 0 3 177.251 1.451 10 0 ADAEHN Cc1nc2c(CN)nccc2s1 74304881 573312643 /nfs/dbraw/zinc/31/26/43/573312643.db2.gz UNMUIGWTEVYHSJ-UHFFFAOYSA-N 0 3 179.248 1.458 10 0 ADAEHN CCC[C@H]1C[C@]1(N)c1ccncn1 86206003 573313997 /nfs/dbraw/zinc/31/39/97/573313997.db2.gz JGFYXZGOMVLYOR-WCBMZHEXSA-N 0 3 177.251 1.451 10 0 ADAEHN F[C@H](c1cnccn1)[C@@H]1CCCCN1 236142698 573315265 /nfs/dbraw/zinc/31/52/65/573315265.db2.gz BCPOQUICKZSUTB-WPRPVWTQSA-N 0 3 195.241 1.629 10 0 ADAEHN Cn1nc([C@H]2CCCS2)cc1CN 259415411 573315298 /nfs/dbraw/zinc/31/52/98/573315298.db2.gz XZOZAPMODBFMNP-SECBINFHSA-N 0 3 197.307 1.447 10 0 ADAEHN CC[C@@H](C)NCc1ccnnc1 132456673 573315378 /nfs/dbraw/zinc/31/53/78/573315378.db2.gz XCNORLWFSODIOP-MRVPVSSYSA-N 0 3 165.240 1.365 10 0 ADAEHN COc1cscc1[C@H](C)N 238351029 573315436 /nfs/dbraw/zinc/31/54/36/573315436.db2.gz NLLWVPDXEJMQSW-YFKPBYRVSA-N 0 3 157.238 1.776 10 0 ADAEHN Cc1sc([C@H]2CCC[NH2+]C2)nc1[O-] 106861102 573315472 /nfs/dbraw/zinc/31/54/72/573315472.db2.gz VODFFCVYJWKBDA-ZETCQYMHSA-N 0 3 198.291 1.624 10 0 ADAEHN Cc1ccc([C@H]2NC[C@@H]2C)o1 259414027 573315535 /nfs/dbraw/zinc/31/55/35/573315535.db2.gz ZOLUTJPSAUSWPT-RCOVLWMOSA-N 0 3 151.209 1.868 10 0 ADAEHN CC[NH+](CC)Cc1ccc([O-])cn1 132452507 573315564 /nfs/dbraw/zinc/31/55/64/573315564.db2.gz AHOPMGBXAHESOY-UHFFFAOYSA-N 0 3 180.251 1.629 10 0 ADAEHN CCN(CC)Cc1ccc(O)cn1 132452507 573315566 /nfs/dbraw/zinc/31/55/66/573315566.db2.gz AHOPMGBXAHESOY-UHFFFAOYSA-N 0 3 180.251 1.629 10 0 ADAEHN CN[C@H](O)c1ccc(SC)cc1 259415445 573315573 /nfs/dbraw/zinc/31/55/73/573315573.db2.gz NGCQEXAIDHMOSL-SECBINFHSA-N 0 3 183.276 1.619 10 0 ADAEHN COC[C@@H](N)c1ccc(C)s1 74310434 573315578 /nfs/dbraw/zinc/31/55/78/573315578.db2.gz YRRFHEFPCLVOBM-SSDOTTSWSA-N 0 3 171.265 1.703 10 0 ADAEHN COC[C@H](N)c1ccc(C)s1 74310436 573315615 /nfs/dbraw/zinc/31/56/15/573315615.db2.gz YRRFHEFPCLVOBM-ZETCQYMHSA-N 0 3 171.265 1.703 10 0 ADAEHN COc1cc(C2([NH3+])CC2)cc(F)c1[O-] 238352505 573315759 /nfs/dbraw/zinc/31/57/59/573315759.db2.gz VDVICCYCHUABOQ-UHFFFAOYSA-N 0 3 197.209 1.488 10 0 ADAEHN CC[C@H](C)N1CCCCN[C@H](C)C1=O 259415435 573315781 /nfs/dbraw/zinc/31/57/81/573315781.db2.gz NDKMSUQMZVDCOX-VHSXEESVSA-N 0 3 198.310 1.385 10 0 ADAEHN CCC(=O)[C@H](C)N1CCC[C@@H]1C 82946941 573318820 /nfs/dbraw/zinc/31/88/20/573318820.db2.gz GALXFSGNWXKVQW-IUCAKERBSA-N 0 3 169.268 1.838 10 0 ADAEHN F[C@H](c1cncnc1)[C@@H]1CCCCN1 236142714 573315928 /nfs/dbraw/zinc/31/59/28/573315928.db2.gz LJPQBODIWXVZAT-VHSXEESVSA-N 0 3 195.241 1.629 10 0 ADAEHN Cc1csc([C@@H](N)[C@@H](C)O)c1 74310424 573315963 /nfs/dbraw/zinc/31/59/63/573315963.db2.gz TWYGYYHESLZNJB-SVRRBLITSA-N 0 3 171.265 1.437 10 0 ADAEHN CN[C@H](c1cccc(OC)c1)[C@H](C)O 259413740 573316045 /nfs/dbraw/zinc/31/60/45/573316045.db2.gz SXQIXZMUNBGAMO-KWQFWETISA-N 0 3 195.262 1.337 10 0 ADAEHN CO[C@@H](C)CCn1cncc1[C@H](C)N 308551957 573316058 /nfs/dbraw/zinc/31/60/58/573316058.db2.gz YSXSKQSRJASZDC-IUCAKERBSA-N 0 3 197.282 1.328 10 0 ADAEHN C[C@@H](N)c1coc([C@H]2CCSC2)n1 258256266 573316106 /nfs/dbraw/zinc/31/61/06/573316106.db2.gz XAIINJCSVGEIOM-RQJHMYQMSA-N 0 3 198.291 1.915 10 0 ADAEHN N[C@@H]1Cn2c(=O)ccc3cccc1c32 116936365 573316252 /nfs/dbraw/zinc/31/62/52/573316252.db2.gz WOULTKZRAHXOEN-SECBINFHSA-N 0 3 186.214 1.015 10 0 ADAEHN CCC(=O)[C@H](C)N1CCCC1 82946719 573316961 /nfs/dbraw/zinc/31/69/61/573316961.db2.gz URXJQXJRZXGXTQ-QMMMGPOBSA-N 0 3 155.241 1.450 10 0 endogenous,in-man ADAEHN CCC(=O)[C@@H](C)N1CCCC1 82946718 573316432 /nfs/dbraw/zinc/31/64/32/573316432.db2.gz URXJQXJRZXGXTQ-MRVPVSSYSA-N 0 3 155.241 1.450 10 0 endogenous,in-man ADAEHN COC(=O)c1cccc2cnc(C)n12 258258956 573316487 /nfs/dbraw/zinc/31/64/87/573316487.db2.gz MSZOGNHTFICZPI-UHFFFAOYSA-N 0 3 190.202 1.429 10 0 ADAEHN NCc1cnoc1-c1ccccn1 74308855 573316489 /nfs/dbraw/zinc/31/64/89/573316489.db2.gz OXISBLICQPBOCZ-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN CN[C@@H](c1cccc(OC)c1)[C@H](C)O 259413734 573316510 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CO[C@H](C)CCn1cncc1[C@H](C)N 308551951 573317094 /nfs/dbraw/zinc/31/70/94/573317094.db2.gz YSXSKQSRJASZDC-BDAKNGLRSA-N 0 3 197.282 1.328 10 0 ADAEHN NCc1cc(-c2cocn2)ccn1 74308870 573317135 /nfs/dbraw/zinc/31/71/35/573317135.db2.gz QFTGYSKECUANOK-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN Cc1nccc([C@H](N)CC2CC2)n1 74306855 573317188 /nfs/dbraw/zinc/31/71/88/573317188.db2.gz RHBKIOGPZZQYAN-SECBINFHSA-N 0 3 177.251 1.585 10 0 ADAEHN CC[C@@H](CO)CNCc1cccnc1 258628134 573317198 /nfs/dbraw/zinc/31/71/98/573317198.db2.gz KFXAZQUEIAHUGD-SNVBAGLBSA-N 0 3 194.278 1.190 10 0 ADAEHN COc1cc(F)cc(C)c1CN 238351198 573317208 /nfs/dbraw/zinc/31/72/08/573317208.db2.gz QVHIZUOGDBANSE-UHFFFAOYSA-N 0 3 169.199 1.601 10 0 ADAEHN N[C@@H](Cc1ccc[nH]1)c1ccco1 74308049 573317321 /nfs/dbraw/zinc/31/73/21/573317321.db2.gz WWFNBVIMFJUXEJ-VIFPVBQESA-N 0 3 176.219 1.850 10 0 ADAEHN CCN1CCC[C@H]1c1nc(CN)co1 258303532 573317323 /nfs/dbraw/zinc/31/73/23/573317323.db2.gz ZWDVJPWIWIQTQW-VIFPVBQESA-N 0 3 195.266 1.290 10 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183.226 1.467 10 0 ADAEHN CN[C@H](c1ccccc1F)[C@H](C)O 259416842 573317696 /nfs/dbraw/zinc/31/76/96/573317696.db2.gz TVPYPKCCMQNXIQ-XVKPBYJWSA-N 0 3 183.226 1.467 10 0 ADAEHN CCN1CCCC[C@@H]1/C=C\C(=O)OC 258301726 573317699 /nfs/dbraw/zinc/31/76/99/573317699.db2.gz UVOGAUSJVSHYBN-GQYWMQPJSA-N 0 3 197.278 1.590 10 0 ADAEHN CCC(=O)[C@@H](C)N1CCCCC1 82949594 573317871 /nfs/dbraw/zinc/31/78/71/573317871.db2.gz YHPKXAHOQPQSBZ-SECBINFHSA-N 0 3 169.268 1.840 10 0 ADAEHN Cc1csc([C@H](N)[C@@H](C)O)c1 74310422 573317750 /nfs/dbraw/zinc/31/77/50/573317750.db2.gz TWYGYYHESLZNJB-HTRCEHHLSA-N 0 3 171.265 1.437 10 0 ADAEHN N[C@H](Cc1ccc[nH]1)c1ccco1 74308050 573317783 /nfs/dbraw/zinc/31/77/83/573317783.db2.gz WWFNBVIMFJUXEJ-SECBINFHSA-N 0 3 176.219 1.850 10 0 ADAEHN CSC[C@@H](N)c1ccncc1 258301973 573317793 /nfs/dbraw/zinc/31/77/93/573317793.db2.gz OHFMOFVSZGFSTO-MRVPVSSYSA-N 0 3 168.265 1.444 10 0 ADAEHN CN1CC[C@@H](COc2cnsc2)C1 258256769 573317809 /nfs/dbraw/zinc/31/78/09/573317809.db2.gz 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MWGBAWLCBGBGLR-UHFFFAOYSA-N 0 3 182.610 1.940 10 0 ADAEHN COc1ccc([C@H](C)N)o1 238343660 573327503 /nfs/dbraw/zinc/32/75/03/573327503.db2.gz JBLHQNKNSNOPQK-YFKPBYRVSA-N 0 3 141.170 1.308 10 0 ADAEHN C[C@]1(c2ncc(CN)s2)CCOC1 258003219 573327607 /nfs/dbraw/zinc/32/76/07/573327607.db2.gz GOJCYKGBKXXPAQ-VIFPVBQESA-N 0 3 198.291 1.280 10 0 ADAEHN CNc1ncccc1[C@H](N)C(C)C 238358093 573330854 /nfs/dbraw/zinc/33/08/54/573330854.db2.gz PLJHZQNUQKBRBW-SECBINFHSA-N 0 3 179.267 1.779 10 0 ADAEHN CC[C@H](C)[C@H]1CC(=O)CCN1 74342661 573330855 /nfs/dbraw/zinc/33/08/55/573330855.db2.gz GQQMLXXMUOWPFL-IONNQARKSA-N 0 3 155.241 1.354 10 0 ADAEHN C[C@@H](N)c1ccc2[nH]ccc2n1 74341667 573330894 /nfs/dbraw/zinc/33/08/94/573330894.db2.gz QNMKBSFVMAUBOX-ZCFIWIBFSA-N 0 3 161.208 1.583 10 0 ADAEHN CCC[C@@H](N)C(=O)C(C)(C)C 74342308 573330101 /nfs/dbraw/zinc/33/01/01/573330101.db2.gz MTNLYSAFYQFKMA-SSDOTTSWSA-N 0 3 157.257 1.729 10 0 ADAEHN CC[C@H](N)c1cccnc1F 74342944 573330176 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/nfs/dbraw/zinc/33/20/84/573332084.db2.gz ANTUZQRCGPUOFR-MNOVXSKESA-N 0 3 193.246 1.266 10 0 ADAEHN N[C@H](CC1CC1)c1cnccn1 74340775 573332101 /nfs/dbraw/zinc/33/21/01/573332101.db2.gz LYQMSCCMRIOEEB-MRVPVSSYSA-N 0 3 163.224 1.277 10 0 ADAEHN Cc1ccc(CC[C@@H]2CNCCO2)o1 259086456 573332164 /nfs/dbraw/zinc/33/21/64/573332164.db2.gz DMWPPXSLUZJWON-LLVKDONJSA-N 0 3 195.262 1.509 10 0 ADAEHN N[C@@H](CC1CC1)c1cnccn1 74340778 573332186 /nfs/dbraw/zinc/33/21/86/573332186.db2.gz LYQMSCCMRIOEEB-QMMMGPOBSA-N 0 3 163.224 1.277 10 0 ADAEHN CCC[C@H](N)c1cn(C)cn1 74343062 573332261 /nfs/dbraw/zinc/33/22/61/573332261.db2.gz LRSLBPPEBHTDIZ-ZETCQYMHSA-N 0 3 153.229 1.220 10 0 ADAEHN NC1([C@@H]2C(=O)Nc3ccccc32)CC1 106965199 573332373 /nfs/dbraw/zinc/33/23/73/573332373.db2.gz MGDIDKRXRDMRCB-VIFPVBQESA-N 0 3 188.230 1.214 10 0 ADAEHN CNc1ncccc1[C@H](C)N 238358057 573332449 /nfs/dbraw/zinc/33/24/49/573332449.db2.gz MUKUZSLQTIYWDR-LURJTMIESA-N 0 3 151.213 1.143 10 0 ADAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](OC)C2 86244661 573332507 /nfs/dbraw/zinc/33/25/07/573332507.db2.gz ANTUZQRCGPUOFR-WDEREUQCSA-N 0 3 193.246 1.266 10 0 ADAEHN CCc1ccc([C@@H](N)O)cc1 259419955 573332542 /nfs/dbraw/zinc/33/25/42/573332542.db2.gz MQONVIRSGSGUCH-VIFPVBQESA-N 0 3 151.209 1.199 10 0 ADAEHN CN[C@@H](CO)c1cc(C)cc(Cl)c1 238358674 573332560 /nfs/dbraw/zinc/33/25/60/573332560.db2.gz HSJYIVBTNRABDJ-JTQLQIEISA-N 0 3 199.681 1.901 10 0 ADAEHN COc1cc(Cl)c2c(c1)OC[C@H]2N 238359445 573332726 /nfs/dbraw/zinc/33/27/26/573332726.db2.gz ITKUCNRESGGLFL-SSDOTTSWSA-N 0 3 199.637 1.741 10 0 ADAEHN COc1cccc(C[C@H](F)C(=N)N)c1 258004918 573332748 /nfs/dbraw/zinc/33/27/48/573332748.db2.gz GPYAQROOHBSQOH-VIFPVBQESA-N 0 3 196.225 1.512 10 0 ADAEHN Cc1[nH]nc([C@H]2CCCN(C)C2)c1N 259088923 573332844 /nfs/dbraw/zinc/33/28/44/573332844.db2.gz GRFVUZGHIKSRLJ-QMMMGPOBSA-N 0 3 194.282 1.110 10 0 ADAEHN Cc1n[nH]c([C@H]2CCCN(C)C2)c1N 259088923 573332852 /nfs/dbraw/zinc/33/28/52/573332852.db2.gz GRFVUZGHIKSRLJ-QMMMGPOBSA-N 0 3 194.282 1.110 10 0 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194.278 1.138 10 0 ADAEHN CCn1cnc([C@H](N)C[C@H](C)OC)c1 308560091 573334972 /nfs/dbraw/zinc/33/49/72/573334972.db2.gz VKSMATHQWQDLEK-DTWKUNHWSA-N 0 3 197.282 1.328 10 0 ADAEHN CCCCCN(C)CN 231514168 573335663 /nfs/dbraw/zinc/33/56/63/573335663.db2.gz HKVCDFSTBOUUSF-UHFFFAOYSA-N 0 3 130.235 1.025 10 0 ADAEHN COP(=O)(OC)[C@@H]1CCCN1 238360281 573335133 /nfs/dbraw/zinc/33/51/33/573335133.db2.gz GNIGDKYCFVETOK-ZCFIWIBFSA-N 0 3 179.156 1.182 10 0 ADAEHN CO[C@@H](C)Cn1cc([C@H](C)N)nc1C 308560333 573335247 /nfs/dbraw/zinc/33/52/47/573335247.db2.gz VMMLFFFEXBETIQ-YUMQZZPRSA-N 0 3 197.282 1.246 10 0 ADAEHN CCN[C@H](CN)c1ccc(C)o1 50270125 573335413 /nfs/dbraw/zinc/33/54/13/573335413.db2.gz VHCUNLMOQPPWDI-MRVPVSSYSA-N 0 3 168.240 1.197 10 0 ADAEHN CO[C@H](C)Cn1cc([C@H](C)N)nc1C 308560332 573335508 /nfs/dbraw/zinc/33/55/08/573335508.db2.gz VMMLFFFEXBETIQ-SFYZADRCSA-N 0 3 197.282 1.246 10 0 ADAEHN Cc1ccc(CC[C@H]2CNCCO2)o1 259086457 573335606 /nfs/dbraw/zinc/33/56/06/573335606.db2.gz 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238354125 573338613 /nfs/dbraw/zinc/33/86/13/573338613.db2.gz AJQKEJJUJBUELQ-UHFFFAOYSA-N 0 3 194.234 1.090 10 0 ADAEHN CC(=O)CC[C@@H](N)c1cccnc1 259608824 573338504 /nfs/dbraw/zinc/33/85/04/573338504.db2.gz XINQTHKKUBNUAF-SNVBAGLBSA-N 0 3 178.235 1.451 10 0 ADAEHN F[C@H]1CCCNC12CCOCC2 258004990 573338525 /nfs/dbraw/zinc/33/85/25/573338525.db2.gz GSCXIFTUMFISIS-QMMMGPOBSA-N 0 3 173.231 1.257 10 0 ADAEHN COc1ccc(C2=CCCN2)cn1 238355659 573339505 /nfs/dbraw/zinc/33/95/05/573339505.db2.gz GMOMOPBQSOQNNJ-UHFFFAOYSA-N 0 3 176.219 1.424 10 0 ADAEHN F[C@@H]1CCCNC12CCOCC2 258004988 573339329 /nfs/dbraw/zinc/33/93/29/573339329.db2.gz GSCXIFTUMFISIS-MRVPVSSYSA-N 0 3 173.231 1.257 10 0 ADAEHN C[C@@]1(c2c[nH]c(N)n2)CCCSC1 258005002 573339365 /nfs/dbraw/zinc/33/93/65/573339365.db2.gz GSLMXAKGENEXKJ-SECBINFHSA-N 0 3 197.307 1.777 10 0 ADAEHN CN1CCc2ccc(N(C)C)cc2C1 74448849 573339384 /nfs/dbraw/zinc/33/93/84/573339384.db2.gz AVABSTKYNJGGJK-UHFFFAOYSA-N 0 3 190.290 1.741 10 0 ADAEHN Cc1ccsc1[C@@H](N)C1(CO)CC1 259608915 573339428 /nfs/dbraw/zinc/33/94/28/573339428.db2.gz XJQJFPJSSYFXPR-SECBINFHSA-N 0 3 197.303 1.829 10 0 ADAEHN Cc1ccc2c(c1)CCN(C)C2 74448005 573339429 /nfs/dbraw/zinc/33/94/29/573339429.db2.gz IIUVNLUEAWZKBA-UHFFFAOYSA-N 0 3 161.248 1.983 10 0 ADAEHN CCN(C)[C@@](C)(CC)C(C)=O 143643296 573340646 /nfs/dbraw/zinc/34/06/46/573340646.db2.gz RQNMTNTUTHUDAL-VIFPVBQESA-N 0 3 157.257 1.696 10 0 ADAEHN Cc1cccc(C23CC(C2)N3)c1 258005268 573339525 /nfs/dbraw/zinc/33/95/25/573339525.db2.gz FDXJMPCXPIOPOG-UHFFFAOYSA-N 0 3 159.232 1.956 10 0 ADAEHN Cc1ccsc1[C@H](N)C1(CO)CC1 259608920 573339563 /nfs/dbraw/zinc/33/95/63/573339563.db2.gz XJQJFPJSSYFXPR-VIFPVBQESA-N 0 3 197.303 1.829 10 0 ADAEHN CN1C[C@]2(C)C[C@@]23CCC(=O)C[C@@H]13 238354887 573339592 /nfs/dbraw/zinc/33/95/92/573339592.db2.gz MPHSMSQVWJBFOA-OUAUKWLOSA-N 0 3 179.263 1.450 10 0 ADAEHN CN1C[C@]23CCC[C@]2(CC(=O)C3)C1 238355242 573339711 /nfs/dbraw/zinc/33/97/11/573339711.db2.gz LPJPHEFAAZFDMA-PHIMTYICSA-N 0 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C/C=C\CN[C@H](C(=O)N(C)C)C(C)C 308574183 573404795 /nfs/dbraw/zinc/40/47/95/573404795.db2.gz CWYHKWZBSXAGGG-GFVADAIESA-N 0 3 198.310 1.265 10 0 ADAEHN CN1CC[C@@H](NC(=O)CC(C)(C)C)C1 74864889 573405445 /nfs/dbraw/zinc/40/54/45/573405445.db2.gz WKQRLVAUQOARAF-SECBINFHSA-N 0 3 198.310 1.243 10 0 ADAEHN CN(C)c1nc2c(s1)CCC[C@@H]2N 83117383 573408675 /nfs/dbraw/zinc/40/86/75/573408675.db2.gz WZZOZXHYDZAZBL-LURJTMIESA-N 0 3 197.307 1.545 10 0 ADAEHN CCC[C@@H]1C[C@H]1NCc1cnc(N)o1 308574399 573406048 /nfs/dbraw/zinc/40/60/48/573406048.db2.gz LWMACNLCNDTVPJ-VXNVDRBHSA-N 0 3 195.266 1.535 10 0 ADAEHN CSc1ccc2c(c1)CN[C@@H]2CO 238380570 573408925 /nfs/dbraw/zinc/40/89/25/573408925.db2.gz QWERSEQAKJXOCG-SNVBAGLBSA-N 0 3 195.287 1.545 10 0 ADAEHN CCNCc1ncccc1CC 133504767 573406062 /nfs/dbraw/zinc/40/60/62/573406062.db2.gz UMMGRZIBQBQXPQ-UHFFFAOYSA-N 0 3 164.252 1.754 10 0 ADAEHN COc1c(C)cc([C@@H](N)CO)cc1F 107189224 573407741 /nfs/dbraw/zinc/40/77/41/573407741.db2.gz QZEZGLYXUIANKA-VIFPVBQESA-N 0 3 199.225 1.135 10 0 ADAEHN CCOc1cc2nc(CC)nn2[nH]1 118492397 573407749 /nfs/dbraw/zinc/40/77/49/573407749.db2.gz MEGMTHPIIJIOEH-UHFFFAOYSA-N 0 3 180.211 1.019 10 0 ADAEHN CN(C)c1nc2c(s1)CCC[C@H]2N 83117384 573407292 /nfs/dbraw/zinc/40/72/92/573407292.db2.gz WZZOZXHYDZAZBL-ZCFIWIBFSA-N 0 3 197.307 1.545 10 0 ADAEHN F[C@H]1[C@H]2CC[C@@H](CC1(F)F)N2 258646930 573407427 /nfs/dbraw/zinc/40/74/27/573407427.db2.gz ZGHDOLFYOMGCTM-JKUQZMGJSA-N 0 3 165.158 1.484 10 0 ADAEHN CSc1ccc2c(c1O)OC[C@@H]2N 238380912 573407778 /nfs/dbraw/zinc/40/77/78/573407778.db2.gz XJBUOKIMMJYKJP-LURJTMIESA-N 0 3 197.259 1.506 10 0 ADAEHN NCc1cc2cccc3c2n1CC3 258020299 573407558 /nfs/dbraw/zinc/40/75/58/573407558.db2.gz OAZQNVXGSXERSZ-UHFFFAOYSA-N 0 3 172.231 1.656 10 0 ADAEHN CCNC[C@@H](NC)c1ccc(C)o1 259440325 573407559 /nfs/dbraw/zinc/40/75/59/573407559.db2.gz OMOHOBZIMKIJFK-SECBINFHSA-N 0 3 182.267 1.458 10 0 ADAEHN F[C@@H]1[C@H]2CC[C@@H](CC1(F)F)N2 258646934 573407602 /nfs/dbraw/zinc/40/76/02/573407602.db2.gz ZGHDOLFYOMGCTM-KVQBGUIXSA-N 0 3 165.158 1.484 10 0 ADAEHN CCn1c([C@H](C)N)cnc1Cl 118530140 573408949 /nfs/dbraw/zinc/40/89/49/573408949.db2.gz NUBKAZYAEKHPHB-YFKPBYRVSA-N 0 3 173.647 1.576 10 0 ADAEHN CSc1ccc2c(c1)C(=O)C[C@@H]2N 238380601 573408299 /nfs/dbraw/zinc/40/82/99/573408299.db2.gz NWFQQHYYIVXQHX-VIFPVBQESA-N 0 3 193.271 1.995 10 0 ADAEHN CC(C)[C@@H](N)c1cc[nH]n1 107217746 573408415 /nfs/dbraw/zinc/40/84/15/573408415.db2.gz VGLYENRRQZSNKQ-SSDOTTSWSA-N 0 3 139.202 1.066 10 0 ADAEHN COc1cc([C@H](N)CO)cc(F)c1C 107189219 573408429 /nfs/dbraw/zinc/40/84/29/573408429.db2.gz PMGYOKRQUONDRA-SECBINFHSA-N 0 3 199.225 1.135 10 0 ADAEHN C[C@@H](N)c1nccc2c(N)cccc12 238380660 573408449 /nfs/dbraw/zinc/40/84/49/573408449.db2.gz OKUFHSNIVILITE-SSDOTTSWSA-N 0 3 187.246 1.837 10 0 ADAEHN CC[C@H]([NH3+])c1cc(OC)c([O-])cc1F 211742379 573408485 /nfs/dbraw/zinc/40/84/85/573408485.db2.gz KPUYSKHRUUSKQS-QMMMGPOBSA-N 0 3 199.225 1.950 10 0 ADAEHN CN1CC[C@H](N)[C@]1(C)c1cncs1 107188050 573408549 /nfs/dbraw/zinc/40/85/49/573408549.db2.gz RVGVHMCUMFVAPI-IONNQARKSA-N 0 3 197.307 1.021 10 0 ADAEHN Cn1nc(CN)c2c1CCC[C@@H]2F 257811133 573408659 /nfs/dbraw/zinc/40/86/59/573408659.db2.gz AWIPGYBGMCJYLQ-LURJTMIESA-N 0 3 183.230 1.226 10 0 ADAEHN CN[C@H](c1cccc(F)c1)C(C)(C)O 259098949 573408680 /nfs/dbraw/zinc/40/86/80/573408680.db2.gz AFUHCBWOSWRIMC-SNVBAGLBSA-N 0 3 197.253 1.857 10 0 ADAEHN CC[C@@H](C)NCc1ncc(C)n1C 308385909 573408682 /nfs/dbraw/zinc/40/86/82/573408682.db2.gz WYOLVAMLXGILJI-MRVPVSSYSA-N 0 3 181.283 1.617 10 0 ADAEHN C[C@@H](N)c1nccc2ncccc12 238380737 573408695 /nfs/dbraw/zinc/40/86/95/573408695.db2.gz RDWBOZHNOTUPQB-SSDOTTSWSA-N 0 3 173.219 1.650 10 0 ADAEHN COCc1nc2c(s1)CCC[C@@H]2N 83117112 573408748 /nfs/dbraw/zinc/40/87/48/573408748.db2.gz CBBQDYWGSOLARL-LURJTMIESA-N 0 3 198.291 1.626 10 0 ADAEHN CCn1nccc1[C@H](N)C1CCC1 83121433 573411559 /nfs/dbraw/zinc/41/15/59/573411559.db2.gz GQGWUHXAGYELON-SNVBAGLBSA-N 0 3 179.267 1.703 10 0 ADAEHN COc1cc([C@@H](N)CO)cc(F)c1C 107189221 573410036 /nfs/dbraw/zinc/41/00/36/573410036.db2.gz PMGYOKRQUONDRA-VIFPVBQESA-N 0 3 199.225 1.135 10 0 ADAEHN CC(C)=CC(=O)N1C[C@@H](C)NC[C@H]1C 83118145 573409698 /nfs/dbraw/zinc/40/96/98/573409698.db2.gz BKLAEJIGSBOUEI-NXEZZACHSA-N 0 3 196.294 1.161 10 0 ADAEHN C[C@H]1CN(c2nccs2)[C@H](C)CN1 83119091 573409758 /nfs/dbraw/zinc/40/97/58/573409758.db2.gz JQWPPGCVBKYHQY-JGVFFNPUSA-N 0 3 197.307 1.330 10 0 ADAEHN CCNC[C@H](NC)c1ccc(C)o1 259440329 573409759 /nfs/dbraw/zinc/40/97/59/573409759.db2.gz OMOHOBZIMKIJFK-VIFPVBQESA-N 0 3 182.267 1.458 10 0 ADAEHN CSc1ccc2c(c1)COC[C@H]2N 238381298 573409773 /nfs/dbraw/zinc/40/97/73/573409773.db2.gz YIRWJPKGTTWADF-SNVBAGLBSA-N 0 3 195.287 1.939 10 0 ADAEHN CC(C)=CC(=O)N1C[C@H](C)NC[C@@H]1C 83118148 573409781 /nfs/dbraw/zinc/40/97/81/573409781.db2.gz BKLAEJIGSBOUEI-UWVGGRQHSA-N 0 3 196.294 1.161 10 0 ADAEHN COc1cc(C)ccc1[C@H](N)[C@H](C)O 238382322 573410044 /nfs/dbraw/zinc/41/00/44/573410044.db2.gz UTRBFAGEFZVRQI-GZMMTYOYSA-N 0 3 195.262 1.384 10 0 ADAEHN C[C@@H]([NH3+])c1occc1[O-] 238382725 573409813 /nfs/dbraw/zinc/40/98/13/573409813.db2.gz HKFXFBPEFSEANG-SCSAIBSYSA-N 0 3 127.143 1.005 10 0 ADAEHN COCc1nc2c(s1)CCC[C@H]2N 83117113 573409870 /nfs/dbraw/zinc/40/98/70/573409870.db2.gz CBBQDYWGSOLARL-ZCFIWIBFSA-N 0 3 198.291 1.626 10 0 ADAEHN COc1cc(C)ccc1[C@@H](N)[C@H](C)O 238381626 573409872 /nfs/dbraw/zinc/40/98/72/573409872.db2.gz UTRBFAGEFZVRQI-KWQFWETISA-N 0 3 195.262 1.384 10 0 ADAEHN COCNCCc1sccc1C 259102435 573409877 /nfs/dbraw/zinc/40/98/77/573409877.db2.gz OKEFPUHRSFJHKP-UHFFFAOYSA-N 0 3 185.292 1.793 10 0 ADAEHN COCC[C@H](N)c1csc(C)n1 133503808 573409897 /nfs/dbraw/zinc/40/98/97/573409897.db2.gz UBQMIGRFCLPXOZ-ZETCQYMHSA-N 0 3 186.280 1.488 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@H](C)C1CC1 308576825 573411581 /nfs/dbraw/zinc/41/15/81/573411581.db2.gz HVXOGIKNUYKQPB-KCJUWKMLSA-N 0 3 193.294 1.727 10 0 ADAEHN COc1nc(CN)ccc1C(F)F 238381359 573411610 /nfs/dbraw/zinc/41/16/10/573411610.db2.gz PMYXRUCZWUVACQ-UHFFFAOYSA-N 0 3 188.177 1.487 10 0 ADAEHN COc1cc(C)ccc1[C@@](C)(N)CO 238381917 573411046 /nfs/dbraw/zinc/41/10/46/573411046.db2.gz OGPSFUOXLWGDAC-NSHDSACASA-N 0 3 195.262 1.170 10 0 ADAEHN CC[C@H](C)[NH2+]Cc1cnc(C)[n-]c1=O 308577539 573411049 /nfs/dbraw/zinc/41/10/49/573411049.db2.gz FAFSJYIYEYRPSM-ZETCQYMHSA-N 0 3 195.266 1.379 10 0 ADAEHN N[C@H](c1cnccn1)C1CCC1 83121333 573411668 /nfs/dbraw/zinc/41/16/68/573411668.db2.gz KRJKYUYKUOJQSN-VIFPVBQESA-N 0 3 163.224 1.277 10 0 ADAEHN CSc1ccc2c(c1O)OC[C@H]2N 238381324 573411166 /nfs/dbraw/zinc/41/11/66/573411166.db2.gz XJBUOKIMMJYKJP-ZCFIWIBFSA-N 0 3 197.259 1.506 10 0 ADAEHN COc1cc([C@@H]2CCN2)c(F)cc1O 238382501 573411197 /nfs/dbraw/zinc/41/11/97/573411197.db2.gz APZVXWIVVMBNSU-QMMMGPOBSA-N 0 3 197.209 1.574 10 0 ADAEHN CN[C@H](c1cccnc1)C(C)(C)O 259098985 573411211 /nfs/dbraw/zinc/41/12/11/573411211.db2.gz AGKKFVPNMFKNBJ-SECBINFHSA-N 0 3 180.251 1.113 10 0 ADAEHN CN[C@@H](c1cccnc1)C(C)(C)O 259098987 573411244 /nfs/dbraw/zinc/41/12/44/573411244.db2.gz AGKKFVPNMFKNBJ-VIFPVBQESA-N 0 3 180.251 1.113 10 0 ADAEHN C1CC(c2noc([C@H]3CCCN3)n2)C1 83120113 573411278 /nfs/dbraw/zinc/41/12/78/573411278.db2.gz QLXJOYNTINPHNV-MRVPVSSYSA-N 0 3 193.250 1.762 10 0 ADAEHN CN[C@@H](c1cn(C)cn1)[C@H](C)C1CC1 308576829 573411290 /nfs/dbraw/zinc/41/12/90/573411290.db2.gz HVXOGIKNUYKQPB-LDYMZIIASA-N 0 3 193.294 1.727 10 0 ADAEHN CSc1ccc2c(c1)CN[C@H]2CO 238381091 573411314 /nfs/dbraw/zinc/41/13/14/573411314.db2.gz QWERSEQAKJXOCG-JTQLQIEISA-N 0 3 195.287 1.545 10 0 ADAEHN CN[C@H](c1nccn1C)C1CCC1 83121734 573411426 /nfs/dbraw/zinc/41/14/26/573411426.db2.gz VZJUVNNFUOGNPQ-VIFPVBQESA-N 0 3 179.267 1.481 10 0 ADAEHN COc1ccc(O)c2c1[C@@H](N)CCO2 238381149 573411453 /nfs/dbraw/zinc/41/14/53/573411453.db2.gz QSKJYPVFWRGXCA-LURJTMIESA-N 0 3 195.218 1.183 10 0 ADAEHN CN[C@@H](c1cccc(F)c1)C(C)(C)O 259098946 573411480 /nfs/dbraw/zinc/41/14/80/573411480.db2.gz AFUHCBWOSWRIMC-JTQLQIEISA-N 0 3 197.253 1.857 10 0 ADAEHN CCCC(C)(C)NC(=O)C1(N)CCC1 126183393 573411521 /nfs/dbraw/zinc/41/15/21/573411521.db2.gz ZJSSLWOQJGAKAP-UHFFFAOYSA-N 0 3 198.310 1.563 10 0 ADAEHN Clc1cnc([C@@H]2CCCCN2)cn1 107188328 573411745 /nfs/dbraw/zinc/41/17/45/573411745.db2.gz AZBBFGWFLHYVPN-ZETCQYMHSA-N 0 3 197.669 1.945 10 0 ADAEHN N[C@H](c1cncnc1)C1CCC1 83121701 573411807 /nfs/dbraw/zinc/41/18/07/573411807.db2.gz NNSQZOZVCSLGMP-VIFPVBQESA-N 0 3 163.224 1.277 10 0 ADAEHN COc1cc(C)ccc1[C@](C)(N)CO 238382571 573411939 /nfs/dbraw/zinc/41/19/39/573411939.db2.gz OGPSFUOXLWGDAC-LLVKDONJSA-N 0 3 195.262 1.170 10 0 ADAEHN C[C@H](CN(C)C)OC(=O)[C@@H]1C[C@H]1C 308388076 573414561 /nfs/dbraw/zinc/41/45/61/573414561.db2.gz WFCKUSDTYVKTPY-IWSPIJDZSA-N 0 3 185.267 1.136 10 0 ADAEHN CN[C@@H](c1nccn1C)C1CCC1 83121732 573414077 /nfs/dbraw/zinc/41/40/77/573414077.db2.gz VZJUVNNFUOGNPQ-SECBINFHSA-N 0 3 179.267 1.481 10 0 ADAEHN CSc1ccc2c(c1)C(=O)C[C@H]2N 238381109 573413139 /nfs/dbraw/zinc/41/31/39/573413139.db2.gz NWFQQHYYIVXQHX-SECBINFHSA-N 0 3 193.271 1.995 10 0 ADAEHN C1CC(c2noc([C@@H]3CCCN3)n2)C1 83120112 573413192 /nfs/dbraw/zinc/41/31/92/573413192.db2.gz QLXJOYNTINPHNV-QMMMGPOBSA-N 0 3 193.250 1.762 10 0 ADAEHN Cc1cnc(N)c([C@H](N)C2CCC2)c1 83121560 573413252 /nfs/dbraw/zinc/41/32/52/573413252.db2.gz OLZSOGYPSHCNHX-SNVBAGLBSA-N 0 3 191.278 1.772 10 0 ADAEHN C[C@H](N)c1cc([C@H]2CCCCO2)n[nH]1 257811109 573413267 /nfs/dbraw/zinc/41/32/67/573413267.db2.gz AZHAZHNCSIZSFR-OIBJUYFYSA-N 0 3 195.266 1.671 10 0 ADAEHN COc1c([C@@H](C)N)ccc(C)c1O 258020356 573413345 /nfs/dbraw/zinc/41/33/45/573413345.db2.gz OCDSVFDEJHCRCJ-SSDOTTSWSA-N 0 3 181.235 1.729 10 0 ADAEHN N[C@H]1CCc2c(O)ccc(F)c21 211752822 573413387 /nfs/dbraw/zinc/41/33/87/573413387.db2.gz MLPINBNDQDGXBJ-ZETCQYMHSA-N 0 3 167.183 1.477 10 0 ADAEHN CC[C@H](C)[C@H](O)[C@@H](N)c1ccncc1 308578520 573413393 /nfs/dbraw/zinc/41/33/93/573413393.db2.gz IPKYGZAAKAKUMM-LSJOCFKGSA-N 0 3 194.278 1.488 10 0 ADAEHN NCc1ccnn1[C@@H]1CCCSC1 257811088 573413511 /nfs/dbraw/zinc/41/35/11/573413511.db2.gz AYBRSPZVJWRCFF-SECBINFHSA-N 0 3 197.307 1.410 10 0 ADAEHN C[C@@H](CO)[C@H]1NCCc2ccccc21 238381337 573413516 /nfs/dbraw/zinc/41/35/16/573413516.db2.gz OCTWWMJGMRELAS-JOYOIKCWSA-N 0 3 191.274 1.502 10 0 ADAEHN COc1cc(C)ccc1[C@H](N)[C@@H](C)O 238382301 573413570 /nfs/dbraw/zinc/41/35/70/573413570.db2.gz UTRBFAGEFZVRQI-LDYMZIIASA-N 0 3 195.262 1.384 10 0 ADAEHN N[C@@H](c1cncnc1)C1CCC1 83121699 573413661 /nfs/dbraw/zinc/41/36/61/573413661.db2.gz NNSQZOZVCSLGMP-SECBINFHSA-N 0 3 163.224 1.277 10 0 ADAEHN Cc1ccnc(N)c1[C@H](N)C1CCC1 83121340 573413695 /nfs/dbraw/zinc/41/36/95/573413695.db2.gz CVKVCVKDHMCVGE-SNVBAGLBSA-N 0 3 191.278 1.772 10 0 ADAEHN COc1ccc2[nH]c(N)nc2c1OC 238381321 573413731 /nfs/dbraw/zinc/41/37/31/573413731.db2.gz FPUPREBTDJMQPW-UHFFFAOYSA-N 0 3 193.206 1.162 10 0 ADAEHN Nc1ccncc1[C@H](O)C1CCC1 83120591 573413784 /nfs/dbraw/zinc/41/37/84/573413784.db2.gz PAFBNOHDFQPHKY-SNVBAGLBSA-N 0 3 178.235 1.497 10 0 ADAEHN CN[C@@H](c1cn(C)cn1)[C@@H](C)C1CC1 308576823 573413802 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/nfs/dbraw/zinc/44/36/86/573443686.db2.gz FJNJTSFLIIPBFM-LDYMZIIASA-N 0 3 193.246 1.269 10 0 ADAEHN CCc1nc([C@@H](C)N)cn1CCOC 308586486 573443847 /nfs/dbraw/zinc/44/38/47/573443847.db2.gz MNBYMUXCGDZPAY-MRVPVSSYSA-N 0 3 197.282 1.112 10 0 ADAEHN Cc1ccc2c(c1)NC(=O)[C@@H](N)CC2 258345669 573443848 /nfs/dbraw/zinc/44/38/48/573443848.db2.gz QSLWZIQEUIMDHR-VIFPVBQESA-N 0 3 190.246 1.207 10 0 ADAEHN CSc1nc(C2CC2)ncc1CN 107250941 573443915 /nfs/dbraw/zinc/44/39/15/573443915.db2.gz KCYACMHGHXQBQE-UHFFFAOYSA-N 0 3 195.291 1.535 10 0 ADAEHN Cc1ccc(C=O)c(CN)c1 258037670 573443924 /nfs/dbraw/zinc/44/39/24/573443924.db2.gz PUKVQKASEJEYHW-UHFFFAOYSA-N 0 3 149.193 1.266 10 0 ADAEHN CC(C)CCCN(C)C(=O)[C@H](C)N 258654992 573443951 /nfs/dbraw/zinc/44/39/51/573443951.db2.gz BDGCPTBKTQZOEL-VIFPVBQESA-N 0 3 186.299 1.228 10 0 ADAEHN CN[C@@H](C)c1ccnn1[C@@H]1CCOC1 257813351 573444040 /nfs/dbraw/zinc/44/40/40/573444040.db2.gz CDUFGHWKCLAZOX-DTWKUNHWSA-N 0 3 195.266 1.125 10 0 ADAEHN CCCC(C)(C)N1CC[C@@H](NC)C1=O 126251762 573444058 /nfs/dbraw/zinc/44/40/58/573444058.db2.gz XFPWXTFZXAVIGI-SECBINFHSA-N 0 3 198.310 1.385 10 0 ADAEHN COc1cc2c(cc1N)OCC[C@@H]2N 238397523 573444062 /nfs/dbraw/zinc/44/40/62/573444062.db2.gz YKQKHRAMNSNDPA-ZETCQYMHSA-N 0 3 194.234 1.060 10 0 ADAEHN COc1cc(F)cc([O-])c1[C@H](C)C[NH3+] 258022577 573444086 /nfs/dbraw/zinc/44/40/86/573444086.db2.gz DOTRUCUXOWUJNE-ZCFIWIBFSA-N 0 3 199.225 1.602 10 0 ADAEHN N[C@H]1CCOc2ccccc2[C@@H]1F 107255796 573444709 /nfs/dbraw/zinc/44/47/09/573444709.db2.gz UQPBWPVSRVDTGL-WPRPVWTQSA-N 0 3 181.210 1.807 10 0 ADAEHN Cc1conc1[C@H](C)N 257813492 573444208 /nfs/dbraw/zinc/44/42/08/573444208.db2.gz AFPSZZFHYWDNQN-YFKPBYRVSA-N 0 3 126.159 1.003 10 0 ADAEHN CC(=O)[C@@H](F)C[C@H]1CCN(C)C1 257813430 573444261 /nfs/dbraw/zinc/44/42/61/573444261.db2.gz CAPXMAWNLISFJP-BDAKNGLRSA-N 0 3 173.231 1.255 10 0 ADAEHN CNC[C@@H](F)c1cccc(O)c1 257813500 573444354 /nfs/dbraw/zinc/44/43/54/573444354.db2.gz AFWWMCIAQQRDJS-SECBINFHSA-N 0 3 169.199 1.622 10 0 ADAEHN CCc1nc([C@H](C)N)cn1CCOC 308586487 573444366 /nfs/dbraw/zinc/44/43/66/573444366.db2.gz MNBYMUXCGDZPAY-QMMMGPOBSA-N 0 3 197.282 1.112 10 0 ADAEHN CN[C@@H](C)c1c[nH]nc1C(C)(C)C 257813564 573444367 /nfs/dbraw/zinc/44/43/67/573444367.db2.gz CDVXYOUHBGEIJN-ZETCQYMHSA-N 0 3 181.283 1.988 10 0 ADAEHN C[C@H](N)C(=O)N(C)c1cccs1 258655186 573444385 /nfs/dbraw/zinc/44/43/85/573444385.db2.gz BGCCFRYMWYYNHE-LURJTMIESA-N 0 3 184.264 1.058 10 0 ADAEHN CC(=O)[C@@H](F)C[C@@H]1CCN(C)C1 257813432 573444467 /nfs/dbraw/zinc/44/44/67/573444467.db2.gz CAPXMAWNLISFJP-IUCAKERBSA-N 0 3 173.231 1.255 10 0 ADAEHN Cc1cnc2cc(CN)n(C)c2c1 257813488 573444543 /nfs/dbraw/zinc/44/45/43/573444543.db2.gz CBTQUIIUVXAQDS-UHFFFAOYSA-N 0 3 175.235 1.340 10 0 ADAEHN C[N@@H+]1CCC[C@H](c2nc([O-])cs2)C1 259451256 573444544 /nfs/dbraw/zinc/44/45/44/573444544.db2.gz XUIKBMPKETWWSM-ZETCQYMHSA-N 0 3 198.291 1.658 10 0 ADAEHN C[N@H+]1CCC[C@H](c2nc([O-])cs2)C1 259451256 573444547 /nfs/dbraw/zinc/44/45/47/573444547.db2.gz XUIKBMPKETWWSM-ZETCQYMHSA-N 0 3 198.291 1.658 10 0 ADAEHN C[C@H]1CN[C@@H](Cc2ccco2)OC1 258346154 573444616 /nfs/dbraw/zinc/44/46/16/573444616.db2.gz FIXOFOWDVLQSNK-WCBMZHEXSA-N 0 3 181.235 1.404 10 0 ADAEHN CC[C@@H](F)CN(CC)C(C)(C)CO 308390557 573444624 /nfs/dbraw/zinc/44/46/24/573444624.db2.gz ZGRLUGPTEPMYOQ-SECBINFHSA-N 0 3 191.290 1.827 10 0 ADAEHN CO[C@H](C1=NCCN1)c1ccccc1 238397585 573444679 /nfs/dbraw/zinc/44/46/79/573444679.db2.gz XJQQCAYLAWLMLF-JTQLQIEISA-N 0 3 190.246 1.376 10 0 ADAEHN OC[C@@]1(c2cccnc2)CCCCN1 258355791 573444764 /nfs/dbraw/zinc/44/47/64/573444764.db2.gz ZSHNKRZWUVBFQZ-LLVKDONJSA-N 0 3 192.262 1.043 10 0 ADAEHN CC[C@H](F)CN(CC)C(C)(C)CO 308390558 573444771 /nfs/dbraw/zinc/44/47/71/573444771.db2.gz ZGRLUGPTEPMYOQ-VIFPVBQESA-N 0 3 191.290 1.827 10 0 ADAEHN COc1cc(F)cc([O-])c1[C@@H](C)C[NH3+] 258022576 573444799 /nfs/dbraw/zinc/44/47/99/573444799.db2.gz DOTRUCUXOWUJNE-LURJTMIESA-N 0 3 199.225 1.602 10 0 ADAEHN Cc1conc1[C@@H](C)N 257813490 573444802 /nfs/dbraw/zinc/44/48/02/573444802.db2.gz AFPSZZFHYWDNQN-RXMQYKEDSA-N 0 3 126.159 1.003 10 0 ADAEHN Cn1cc2cc(CN)cc(F)c2n1 259450710 573445675 /nfs/dbraw/zinc/44/56/75/573445675.db2.gz PTRXBHVAXPJSFL-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN NC[C@H](OC1CCC1)c1ccccn1 50519248 573446965 /nfs/dbraw/zinc/44/69/65/573446965.db2.gz FABTWNKGWWSXFT-NSHDSACASA-N 0 3 192.262 1.651 10 0 ADAEHN Cc1ccc2c(c1)NC(=O)[C@H](N)CC2 258345666 573446967 /nfs/dbraw/zinc/44/69/67/573446967.db2.gz QSLWZIQEUIMDHR-SECBINFHSA-N 0 3 190.246 1.207 10 0 ADAEHN NC[C@@H](OC1CCC1)c1cccnc1 50519453 573447004 /nfs/dbraw/zinc/44/70/04/573447004.db2.gz KQBPZHABZCCBGI-LLVKDONJSA-N 0 3 192.262 1.651 10 0 ADAEHN NC[C@@H](F)[C@H]1CCCSC1 258495801 573447028 /nfs/dbraw/zinc/44/70/28/573447028.db2.gz KOUPJNCRTKQPBT-NKWVEPMBSA-N 0 3 163.261 1.426 10 0 ADAEHN NC[C@@H](F)[C@@H]1CCCSC1 258495812 573447248 /nfs/dbraw/zinc/44/72/48/573447248.db2.gz KOUPJNCRTKQPBT-RNFRBKRXSA-N 0 3 163.261 1.426 10 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163.261 1.426 10 0 ADAEHN C[C@@]1(C2CCC2)CC(=O)CN1 259103465 573447573 /nfs/dbraw/zinc/44/75/73/573447573.db2.gz DXAOQBDRYWQMOW-VIFPVBQESA-N 0 3 153.225 1.108 10 0 ADAEHN c1ncc([C@H]2CCCCCN2)o1 83270044 573447742 /nfs/dbraw/zinc/44/77/42/573447742.db2.gz RYMBYSUMCQELLA-MRVPVSSYSA-N 0 3 166.224 1.879 10 0 ADAEHN CCN1CCCC[C@@H]1[C@H]1NC[C@H](C)O1 258657965 573447793 /nfs/dbraw/zinc/44/77/93/573447793.db2.gz SKMOISGSYMVVOQ-AXFHLTTASA-N 0 3 198.310 1.195 10 0 ADAEHN COc1ccc(O)c2c1[C@H](N)CCC2 238398394 573447825 /nfs/dbraw/zinc/44/78/25/573447825.db2.gz DMBQAMXQOCIKPD-MRVPVSSYSA-N 0 3 193.246 1.737 10 0 ADAEHN Cc1ccc2cnc(CCCO)n2c1 257816363 573447832 /nfs/dbraw/zinc/44/78/32/573447832.db2.gz DJNZXJIZQRNGMY-UHFFFAOYSA-N 0 3 190.246 1.568 10 0 ADAEHN Cc1cnc(CNC[C@@H]2C[C@@H]2C)n1C 308588581 573447855 /nfs/dbraw/zinc/44/78/55/573447855.db2.gz JJNANOOYQGPDBO-WPRPVWTQSA-N 0 3 193.294 1.474 10 0 ADAEHN CN[C@@H](C)c1cnn(C)c1C1CC1 257816677 573447887 /nfs/dbraw/zinc/44/78/87/573447887.db2.gz DGTCEEWDSDRUEY-ZETCQYMHSA-N 0 3 179.267 1.578 10 0 ADAEHN CCc1nc(C)ncc1CNC 83269868 573450300 /nfs/dbraw/zinc/45/03/00/573450300.db2.gz ZRPKQWANCRVGJO-UHFFFAOYSA-N 0 3 165.240 1.067 10 0 ADAEHN c1coc(C[C@H]2NCCCO2)c1 258346621 573450627 /nfs/dbraw/zinc/45/06/27/573450627.db2.gz FMDAWFNLWYVHGQ-VIFPVBQESA-N 0 3 167.208 1.158 10 0 ADAEHN CC(C)n1[nH]c(=O)c2c1CCN(C)C2 257816385 573448024 /nfs/dbraw/zinc/44/80/24/573448024.db2.gz DKIVIEHMNTXMLO-UHFFFAOYSA-N 0 3 195.266 1.158 10 0 ADAEHN CNC[C@@H](F)c1ccncc1 107255529 573448048 /nfs/dbraw/zinc/44/80/48/573448048.db2.gz JXHQTXWYRFQESE-MRVPVSSYSA-N 0 3 154.188 1.312 10 0 ADAEHN CC1(COC[C@@H]2CNCCO2)CCC1 308589517 573448052 /nfs/dbraw/zinc/44/80/52/573448052.db2.gz UMESJUFJNGZTIJ-JTQLQIEISA-N 0 3 199.294 1.182 10 0 ADAEHN NC[C@H](OC1CCC1)c1ccncc1 50519492 573448064 /nfs/dbraw/zinc/44/80/64/573448064.db2.gz SVQQBCYZUOEBQE-NSHDSACASA-N 0 3 192.262 1.651 10 0 ADAEHN CCN1CCCC[C@@H]1[C@@H]1NC[C@H](C)O1 258657981 573448086 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C[C@@H](N)C(=O)N(C)c1cccs1 258658070 573448515 /nfs/dbraw/zinc/44/85/15/573448515.db2.gz BGCCFRYMWYYNHE-ZCFIWIBFSA-N 0 3 184.264 1.058 10 0 ADAEHN CCC[C@@H]1C=C(C(=O)OC)CCN1C 257816317 573448580 /nfs/dbraw/zinc/44/85/80/573448580.db2.gz DHQLSTOCEYJQKK-SNVBAGLBSA-N 0 3 197.278 1.590 10 0 ADAEHN OCCCc1ncc2ccccn12 257816687 573448591 /nfs/dbraw/zinc/44/85/91/573448591.db2.gz DHJBCJASFVLDHB-UHFFFAOYSA-N 0 3 176.219 1.259 10 0 ADAEHN CC[C@@](O)(CN)c1cc(C)co1 715808139 573448593 /nfs/dbraw/zinc/44/85/93/573448593.db2.gz RLWIQESHPKTUHV-SECBINFHSA-N 0 3 169.224 1.144 10 0 ADAEHN C[C@@H](O)C(F)(F)C1CCN(C)CC1 257816405 573448628 /nfs/dbraw/zinc/44/86/28/573448628.db2.gz DLGSHBUBWCOAHO-SSDOTTSWSA-N 0 3 193.237 1.344 10 0 ADAEHN NC[C@H](F)[C@H]1CCCSC1 258495791 573448638 /nfs/dbraw/zinc/44/86/38/573448638.db2.gz KOUPJNCRTKQPBT-BQBZGAKWSA-N 0 3 163.261 1.426 10 0 ADAEHN Cc1ccc(C2(N)CC2)[nH]1 83267501 573448778 /nfs/dbraw/zinc/44/87/78/573448778.db2.gz HZTNELYZPSQRKX-UHFFFAOYSA-N 0 3 136.198 1.271 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/nfs/dbraw/zinc/47/88/40/573478840.db2.gz LVMXOLXOXCWNIA-SSDOTTSWSA-N 0 3 182.223 1.091 10 0 ADAEHN C[C@@H]1CCC[C@]1(O)c1cnccc1N 83395852 573478862 /nfs/dbraw/zinc/47/88/62/573478862.db2.gz YBBSJLNTGAYZNT-LDYMZIIASA-N 0 3 192.262 1.671 10 0 ADAEHN Cc1c(C[C@H]2CCC[NH2+]C2)[n-]oc1=O 107286127 573478966 /nfs/dbraw/zinc/47/89/66/573478966.db2.gz SBQWDAGZWNJGPK-MRVPVSSYSA-N 0 3 196.250 1.231 10 0 ADAEHN CCC(=O)[C@H](C)N1CCC[C@@H]1CCO 308596964 573478997 /nfs/dbraw/zinc/47/89/97/573478997.db2.gz SHWHAYZIGSEONW-VHSXEESVSA-N 0 3 199.294 1.201 10 0 ADAEHN C[C@@H](N)c1c(Cl)ncnc1Cl 238413762 573480551 /nfs/dbraw/zinc/48/05/51/573480551.db2.gz OUINHNYIYHQDLZ-GSVOUGTGSA-N 0 3 192.049 1.803 10 0 ADAEHN C[C@@H]1CCC[C@@]1(O)c1cnccc1N 83395856 573480029 /nfs/dbraw/zinc/48/00/29/573480029.db2.gz YBBSJLNTGAYZNT-KCJUWKMLSA-N 0 3 192.262 1.671 10 0 ADAEHN COC[C@@H](NCc1ccc[nH]1)C1CC1 308596277 573480152 /nfs/dbraw/zinc/48/01/52/573480152.db2.gz MQHHVEAOEKHBKY-LLVKDONJSA-N 0 3 194.278 1.529 10 0 ADAEHN CC(C)C[C@H](O)[C@@H](N)c1ccncc1 308596072 573480217 /nfs/dbraw/zinc/48/02/17/573480217.db2.gz RUTGJQBCRQFGTM-QWRGUYRKSA-N 0 3 194.278 1.488 10 0 ADAEHN CC(C)=CCCNCc1cnc(N)o1 308596380 573480228 /nfs/dbraw/zinc/48/02/28/573480228.db2.gz YYIJYENLPPHECV-UHFFFAOYSA-N 0 3 195.266 1.703 10 0 ADAEHN CCOC[C@H]1NCc2ccccc21 86528188 573480234 /nfs/dbraw/zinc/48/02/34/573480234.db2.gz MLSGRASTRUKYPN-LLVKDONJSA-N 0 3 177.247 1.867 10 0 ADAEHN CCOC[C@@H]1NCc2ccccc21 86528190 573480291 /nfs/dbraw/zinc/48/02/91/573480291.db2.gz MLSGRASTRUKYPN-NSHDSACASA-N 0 3 177.247 1.867 10 0 ADAEHN O[C@H]1CCCN[C@H]1c1ccc(F)cc1 257819595 573480383 /nfs/dbraw/zinc/48/03/83/573480383.db2.gz FMNBDANLOFTDQU-QWRGUYRKSA-N 0 3 195.237 1.611 10 0 ADAEHN Cc1cc2nc(CN)[nH]c2cc1F 107288092 573481900 /nfs/dbraw/zinc/48/19/00/573481900.db2.gz LWBXYQIRENZNCR-UHFFFAOYSA-N 0 3 179.198 1.469 10 0 ADAEHN Cc1c(C[C@@H]2CCCC[NH2+]2)[n-]oc1=O 107286119 573481462 /nfs/dbraw/zinc/48/14/62/573481462.db2.gz FRRWDWIGUJFYKM-QMMMGPOBSA-N 0 3 196.250 1.373 10 0 ADAEHN C[C@@H](N)c1c(N)cccc1Cl 238415668 573481848 /nfs/dbraw/zinc/48/18/48/573481848.db2.gz ZBAHOELDVWLVIK-RXMQYKEDSA-N 0 3 170.643 1.942 10 0 ADAEHN C[C@@H]1CS[C@H](CCCCO)N1 238414984 573481933 /nfs/dbraw/zinc/48/19/33/573481933.db2.gz JQDBAAIPDNRKNK-HTQZYQBOSA-N 0 3 175.297 1.200 10 0 ADAEHN Cc1cccc2nc([C@H](C)N)n(C)c12 107288728 573482000 /nfs/dbraw/zinc/48/20/00/573482000.db2.gz ABHZEISEZMFOLL-QMMMGPOBSA-N 0 3 189.262 1.901 10 0 ADAEHN C[C@H](N)c1nc2cccc(F)c2n1C 107288725 573482053 /nfs/dbraw/zinc/48/20/53/573482053.db2.gz HGPMNRVFKOXSFD-LURJTMIESA-N 0 3 193.225 1.732 10 0 ADAEHN Cc1nc(N)cc([C@H]2CCCCN2)n1 107286622 573482226 /nfs/dbraw/zinc/48/22/26/573482226.db2.gz ZCKBPQAEAAFLRF-MRVPVSSYSA-N 0 3 192.266 1.182 10 0 ADAEHN CCn1ncc(CNC)c1C1CCC1 257818923 573482199 /nfs/dbraw/zinc/48/21/99/573482199.db2.gz FGBMWVRTAWGCJM-UHFFFAOYSA-N 0 3 193.294 1.890 10 0 ADAEHN CC(C)(N)c1ccnc(C2CC2)n1 107287886 573482208 /nfs/dbraw/zinc/48/22/08/573482208.db2.gz CHCIFHHNPDDICT-UHFFFAOYSA-N 0 3 177.251 1.548 10 0 ADAEHN Cc1cc(O)cc([C@H](N)[C@@H](C)O)c1 238415559 573482371 /nfs/dbraw/zinc/48/23/71/573482371.db2.gz XDNPWRHCAFDRNX-GMSGAONNSA-N 0 3 181.235 1.081 10 0 ADAEHN COc1ncc(F)cc1[C@@H](N)C1CC1 238414814 573482381 /nfs/dbraw/zinc/48/23/81/573482381.db2.gz SHGKEDPSFMEERV-VIFPVBQESA-N 0 3 196.225 1.639 10 0 ADAEHN COc1cc([C@@H](N)C(C)C)co1 238414683 573482423 /nfs/dbraw/zinc/48/24/23/573482423.db2.gz KXJKOJYRRNMLAV-VIFPVBQESA-N 0 3 169.224 1.944 10 0 ADAEHN COc1ccc(NC[C@@H](F)CN)cc1 257819208 573482540 /nfs/dbraw/zinc/48/25/40/573482540.db2.gz CTYQAZGRSXDCKU-QMMMGPOBSA-N 0 3 198.241 1.404 10 0 ADAEHN O=Cc1ccccc1[C@]1(F)CCNC1 257819411 573482661 /nfs/dbraw/zinc/48/26/61/573482661.db2.gz FJIYXKIBROKEFB-NSHDSACASA-N 0 3 193.221 1.657 10 0 ADAEHN CCc1ccc(C2(N)CCC2)nc1 259106788 573482671 /nfs/dbraw/zinc/48/26/71/573482671.db2.gz FCHBOFOIZWZNII-UHFFFAOYSA-N 0 3 176.263 1.982 10 0 ADAEHN COC[C@H](NCc1ccc[nH]1)C1CC1 308596278 573482806 /nfs/dbraw/zinc/48/28/06/573482806.db2.gz MQHHVEAOEKHBKY-NSHDSACASA-N 0 3 194.278 1.529 10 0 ADAEHN Cc1cccc(CC(=O)[C@H]2CCN2)c1 257819395 573483041 /nfs/dbraw/zinc/48/30/41/573483041.db2.gz FJAITIODMXHOCO-LLVKDONJSA-N 0 3 189.258 1.469 10 0 ADAEHN N[C@H]1CCc2[nH]nc(C(F)(F)F)c21 107297536 573483061 /nfs/dbraw/zinc/48/30/61/573483061.db2.gz SJTPAIFVCNLRIE-VKHMYHEASA-N 0 3 191.156 1.375 10 0 ADAEHN C[C@H]([NH3+])c1cccc2c(=O)o[n-]c12 257819577 573483162 /nfs/dbraw/zinc/48/31/62/573483162.db2.gz FIQCEJIXJVRZHV-YFKPBYRVSA-N 0 3 178.191 1.141 10 0 ADAEHN C[C@@H](c1coc(CN)c1)N1CCCC1 257819627 573483420 /nfs/dbraw/zinc/48/34/20/573483420.db2.gz FNFPYOKBAHPBRP-VIFPVBQESA-N 0 3 194.278 1.895 10 0 ADAEHN C[C@@H](N)c1c(F)cnc(F)c1F 238415294 573483285 /nfs/dbraw/zinc/48/32/85/573483285.db2.gz ZLMOMQUURYEZMF-GSVOUGTGSA-N 0 3 176.141 1.519 10 0 ADAEHN Cc1cc([C@@H]2CCN(C)C2)nc(C)n1 259106352 573483300 /nfs/dbraw/zinc/48/33/00/573483300.db2.gz OIYTTXCLRRBTHB-SNVBAGLBSA-N 0 3 191.278 1.513 10 0 ADAEHN CC(C)NCc1ncc2ccccn12 259612719 573484434 /nfs/dbraw/zinc/48/44/34/573484434.db2.gz VVGKLRHSDHCVBN-UHFFFAOYSA-N 0 3 189.262 1.832 10 0 ADAEHN CCC(CC)CNCc1cnc(N)o1 308597161 573484447 /nfs/dbraw/zinc/48/44/47/573484447.db2.gz ZKWYJMNYCGLWRY-UHFFFAOYSA-N 0 3 197.282 1.783 10 0 ADAEHN CC(=N)[C@H](C)c1nc(C)c(C)c(N)n1 238415567 573484501 /nfs/dbraw/zinc/48/45/01/573484501.db2.gz AYRBKKUPFCSPPA-YFKPBYRVSA-N 0 3 192.266 1.819 10 0 ADAEHN Cc1cccn2c(C(C)(C)N)ncc12 257819404 573484513 /nfs/dbraw/zinc/48/45/13/573484513.db2.gz FJFYJGJMGGYROU-UHFFFAOYSA-N 0 3 189.262 1.837 10 0 ADAEHN [NH3+]C/C=C/c1ccc([O-])cc1F 258046049 573484633 /nfs/dbraw/zinc/48/46/33/573484633.db2.gz QRNSWZVIGZAGHZ-OWOJBTEDSA-N 0 3 167.183 1.503 10 0 ADAEHN C[C@@H](N)c1c(N)ccnc1Cl 238415705 573484642 /nfs/dbraw/zinc/48/46/42/573484642.db2.gz LTTCSCMERIPYHX-SCSAIBSYSA-N 0 3 171.631 1.337 10 0 ADAEHN CN[C@H](c1cnn(C)n1)[C@@H](C)C1CC1 308597132 573484660 /nfs/dbraw/zinc/48/46/60/573484660.db2.gz ZJHQOQGBYBNEJO-XVKPBYJWSA-N 0 3 194.282 1.122 10 0 ADAEHN C[C@H]1CN[C@H](Cc2ccc(F)cc2)O1 258677766 573484685 /nfs/dbraw/zinc/48/46/85/573484685.db2.gz SYSADKXAUAMTKY-KWQFWETISA-N 0 3 195.237 1.703 10 0 ADAEHN CN[C@@H](c1cnn(C)n1)[C@H](C)C1CC1 308597129 573484986 /nfs/dbraw/zinc/48/49/86/573484986.db2.gz ZJHQOQGBYBNEJO-GMSGAONNSA-N 0 3 194.282 1.122 10 0 ADAEHN N[C@H]1CCc2onc(C(F)(F)F)c21 107297143 573484808 /nfs/dbraw/zinc/48/48/08/573484808.db2.gz HBFXSGAFEBDCQL-VKHMYHEASA-N 0 3 192.140 1.639 10 0 ADAEHN CCc1noc2c1[C@H](NC)CC2 107297096 573484843 /nfs/dbraw/zinc/48/48/43/573484843.db2.gz YXOZIUSSQBKVJB-SSDOTTSWSA-N 0 3 166.224 1.444 10 0 ADAEHN CN[C@@H](c1cnn(C)n1)[C@@H](C)C1CC1 308597130 573484854 /nfs/dbraw/zinc/48/48/54/573484854.db2.gz ZJHQOQGBYBNEJO-OIBJUYFYSA-N 0 3 194.282 1.122 10 0 ADAEHN CO[C@H](N)C1C=CC=CC=C1 238406585 573487479 /nfs/dbraw/zinc/48/74/79/573487479.db2.gz XGKIZKIFJDOFPK-VIFPVBQESA-N 0 3 151.209 1.216 10 0 ADAEHN COc1cc2[nH]c(CN)nc2cc1C 238406491 573486777 /nfs/dbraw/zinc/48/67/77/573486777.db2.gz URWIZDATSSLLAB-UHFFFAOYSA-N 0 3 191.234 1.339 10 0 ADAEHN NCc1ccccc1O[C@H]1CCOC1 75120765 573486812 /nfs/dbraw/zinc/48/68/12/573486812.db2.gz NKZOUSGOEPOMMX-JTQLQIEISA-N 0 3 193.246 1.313 10 0 ADAEHN F[C@@H]1CNCC[C@@H]1C1CCOCC1 257819969 573486930 /nfs/dbraw/zinc/48/69/30/573486930.db2.gz DKFLMHKLNKEKGX-NXEZZACHSA-N 0 3 187.258 1.361 10 0 ADAEHN CCC(F)(F)[C@@H]1CCCN1 211841738 573486933 /nfs/dbraw/zinc/48/69/33/573486933.db2.gz YYGATLCWOXEKKU-LURJTMIESA-N 0 3 149.184 1.784 10 0 ADAEHN Cc1ccc(C(=O)[C@@H]2CCCN2)s1 75122649 573486981 /nfs/dbraw/zinc/48/69/81/573486981.db2.gz VVLQEQIQNXOPOK-QMMMGPOBSA-N 0 3 195.287 1.991 10 0 ADAEHN Cc1ccccc1[C@H]1CC(CN)=NO1 257820141 573487141 /nfs/dbraw/zinc/48/71/41/573487141.db2.gz FRFJXXRQUIHOBP-LLVKDONJSA-N 0 3 190.246 1.771 10 0 ADAEHN CCO[C@](C)(CNC)C(F)(F)F 257820219 573487550 /nfs/dbraw/zinc/48/75/50/573487550.db2.gz FPCXUABPGYKTGJ-ZCFIWIBFSA-N 0 3 185.189 1.563 10 0 ADAEHN C[C@H](O)C[C@H](C)CNc1ccncc1 308593553 573487600 /nfs/dbraw/zinc/48/76/00/573487600.db2.gz LIOVPIUMOFLKKO-UWVGGRQHSA-N 0 3 194.278 1.901 10 0 ADAEHN CN1CCC[C@@H](Nc2cccnc2)C1 75119888 573487641 /nfs/dbraw/zinc/48/76/41/573487641.db2.gz MIGUISMVECXANW-LLVKDONJSA-N 0 3 191.278 1.588 10 0 ADAEHN F[C@@H]1CNCC[C@H]1C1CCOCC1 257819971 573487666 /nfs/dbraw/zinc/48/76/66/573487666.db2.gz DKFLMHKLNKEKGX-VHSXEESVSA-N 0 3 187.258 1.361 10 0 ADAEHN C[C@H](CNc1ccncc1)C[C@@H](C)O 308593554 573487982 /nfs/dbraw/zinc/48/79/82/573487982.db2.gz LIOVPIUMOFLKKO-VHSXEESVSA-N 0 3 194.278 1.901 10 0 ADAEHN CCN1CCc2c(N)cncc2C1 258039616 573488048 /nfs/dbraw/zinc/48/80/48/573488048.db2.gz PXWFLDLDZIQQBS-UHFFFAOYSA-N 0 3 177.251 1.042 10 0 ADAEHN F[C@H]1CNCC[C@H]1C1CCOCC1 257819970 573488058 /nfs/dbraw/zinc/48/80/58/573488058.db2.gz DKFLMHKLNKEKGX-UWVGGRQHSA-N 0 3 187.258 1.361 10 0 ADAEHN NCC1=NO[C@H](c2ccc(O)cc2)C1 257820045 573488066 /nfs/dbraw/zinc/48/80/66/573488066.db2.gz FOCOKBDHSHGQRI-JTQLQIEISA-N 0 3 192.218 1.168 10 0 ADAEHN Cc1ccc(C(=O)[C@H]2CCCN2)s1 75122654 573488227 /nfs/dbraw/zinc/48/82/27/573488227.db2.gz VVLQEQIQNXOPOK-MRVPVSSYSA-N 0 3 195.287 1.991 10 0 ADAEHN COc1ccc(O)cc1C(C)(C)N 258039593 573488293 /nfs/dbraw/zinc/48/82/93/573488293.db2.gz PXAREQXMUAQWFA-UHFFFAOYSA-N 0 3 181.235 1.595 10 0 ADAEHN CN[C@@H]1CCCc2onc(C)c21 107298180 573488498 /nfs/dbraw/zinc/48/84/98/573488498.db2.gz VOAAEHFVKTVQDG-SSDOTTSWSA-N 0 3 166.224 1.580 10 0 ADAEHN CN1CCc2cc(CCO)ccc2C1 257820031 573488499 /nfs/dbraw/zinc/48/84/99/573488499.db2.gz FNWOKPUYOXSNPY-UHFFFAOYSA-N 0 3 191.274 1.209 10 0 ADAEHN CCc1noc2c1[C@@H](N)CCC2 107298116 573488527 /nfs/dbraw/zinc/48/85/27/573488527.db2.gz MTJOEKMNIVORSW-LURJTMIESA-N 0 3 166.224 1.573 10 0 ADAEHN Cc1ccccc1[C@@H]1CC(CN)=NO1 257820143 573488679 /nfs/dbraw/zinc/48/86/79/573488679.db2.gz FRFJXXRQUIHOBP-NSHDSACASA-N 0 3 190.246 1.771 10 0 ADAEHN CNc1c2c(nn1C(C)C)CCNC2 107299939 573488701 /nfs/dbraw/zinc/48/87/01/573488701.db2.gz ACFVMAXQCOPYNG-UHFFFAOYSA-N 0 3 194.282 1.151 10 0 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190.246 1.240 10 0 ADAEHN CC[C@@H](CNc1cnccc1N)OC 308593393 573489012 /nfs/dbraw/zinc/48/90/12/573489012.db2.gz WXQKYLQYKIEQLC-QMMMGPOBSA-N 0 3 195.266 1.501 10 0 ADAEHN NC[C@@]1(F)CCc2ccc(O)cc2C1 257820028 573489057 /nfs/dbraw/zinc/48/90/57/573489057.db2.gz FNSLVWPQOYFTPV-LLVKDONJSA-N 0 3 195.237 1.548 10 0 ADAEHN Cc1cc([O-])c(F)c(C[NH3+])c1 258039751 573489123 /nfs/dbraw/zinc/48/91/23/573489123.db2.gz QCOFCORJYASOGS-UHFFFAOYSA-N 0 3 155.172 1.298 10 0 ADAEHN C[C@@H](O)C[C@@H](C)CNc1ccncc1 308593552 573489190 /nfs/dbraw/zinc/48/91/90/573489190.db2.gz LIOVPIUMOFLKKO-NXEZZACHSA-N 0 3 194.278 1.901 10 0 ADAEHN [NH3+]C/C=C/c1ccc(O)c(F)c1[O-] 258039365 573489231 /nfs/dbraw/zinc/48/92/31/573489231.db2.gz JTFUBMMORZHSGB-OWOJBTEDSA-N 0 3 183.182 1.209 10 0 ADAEHN Cn1nc(CN)c2c1CC(C)(C)CC2 107303650 573489238 /nfs/dbraw/zinc/48/92/38/573489238.db2.gz BFHCRHMTYMGXKA-UHFFFAOYSA-N 0 3 193.294 1.394 10 0 ADAEHN CN[C@@H](c1ccccc1F)C(C)(C)O 259474912 573489246 /nfs/dbraw/zinc/48/92/46/573489246.db2.gz QIHCXDBMWWKFOE-JTQLQIEISA-N 0 3 197.253 1.857 10 0 ADAEHN CNCC(=O)N(C)c1sccc1C 258679378 573489465 /nfs/dbraw/zinc/48/94/65/573489465.db2.gz CUWGCIVPFJEBKM-UHFFFAOYSA-N 0 3 198.291 1.239 10 0 ADAEHN N[C@H]1[C@@H](F)CCC[C@H]1F 257819923 573489481 /nfs/dbraw/zinc/48/94/81/573489481.db2.gz DFQYCRKBXUJIKF-FPFOFBBKSA-N 0 3 135.157 1.174 10 0 ADAEHN Cc1cccc2nc([C@H](O)CN)oc12 86556844 573489486 /nfs/dbraw/zinc/48/94/86/573489486.db2.gz BJOAEPKGNPVZAJ-MRVPVSSYSA-N 0 3 192.218 1.128 10 0 ADAEHN Cc1cc(F)cc([C@H](N)[C@@H](C)O)c1N 238417121 573489736 /nfs/dbraw/zinc/48/97/36/573489736.db2.gz VUTORFPGHTXLIV-LHLIQPBNSA-N 0 3 198.241 1.097 10 0 ADAEHN CCN[C@H](CO)c1ccc(F)c(C)c1 50559615 573489782 /nfs/dbraw/zinc/48/97/82/573489782.db2.gz UXHBQDYXUDTFCC-LLVKDONJSA-N 0 3 197.253 1.777 10 0 ADAEHN Cc1ccc(NC(=O)C2(N)CC2)o1 258681024 573489923 /nfs/dbraw/zinc/48/99/23/573489923.db2.gz DOGHTPMWGDHEHB-UHFFFAOYSA-N 0 3 180.207 1.018 10 0 ADAEHN 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199.294 1.082 10 0 ADAEHN C[NH2+]CCc1cc(OC)cc([O-])c1F 258043602 573496210 /nfs/dbraw/zinc/49/62/10/573496210.db2.gz GDHKSRIOPNILQH-UHFFFAOYSA-N 0 3 199.225 1.302 10 0 ADAEHN C[C@@H]1COc2cnccc2N1 211854399 573496232 /nfs/dbraw/zinc/49/62/32/573496232.db2.gz YZNKZRYCYMTQEC-ZCFIWIBFSA-N 0 3 150.181 1.274 10 0 ADAEHN Cc1ccccc1C[C@@H]1NC[C@@H](C)O1 258686499 573496259 /nfs/dbraw/zinc/49/62/59/573496259.db2.gz UEENJLCZLSVMDD-ZYHUDNBSSA-N 0 3 191.274 1.872 10 0 ADAEHN C[C@@H]([NH3+])CCc1ccc(F)cc1[O-] 238420617 573496477 /nfs/dbraw/zinc/49/64/77/573496477.db2.gz MRHGYNMRXIGUBZ-SSDOTTSWSA-N 0 3 183.226 1.811 10 0 ADAEHN Cc1ccccc1C[C@H]1NC[C@@H](C)O1 258686484 573496490 /nfs/dbraw/zinc/49/64/90/573496490.db2.gz UEENJLCZLSVMDD-PWSUYJOCSA-N 0 3 191.274 1.872 10 0 ADAEHN C[C@@H]([NH3+])CCc1cccc(F)c1[O-] 238421693 573496496 /nfs/dbraw/zinc/49/64/96/573496496.db2.gz VXZPSIDVDPXQRO-SSDOTTSWSA-N 0 3 183.226 1.811 10 0 ADAEHN N[C@@]1(c2nccs2)CCCOCC1 83426383 573496536 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GZLYCAPPVPZSKW-QMMMGPOBSA-N 0 3 199.225 1.135 10 0 ADAEHN CN[C@H]1CCCc2[nH]c(=O)sc21 107346735 573536101 /nfs/dbraw/zinc/53/61/01/573536101.db2.gz FKETYDNSRIRGJX-YFKPBYRVSA-N 0 3 184.264 1.446 10 0 ADAEHN Oc1ccccc1[C@@H](F)[C@H]1CCN1 257828113 573535803 /nfs/dbraw/zinc/53/58/03/573535803.db2.gz ICZAXLSMIJHMQE-PSASIEDQSA-N 0 3 181.210 1.765 10 0 ADAEHN COc1c([C@H](N)CO)ccc(C)c1F 258052872 573535811 /nfs/dbraw/zinc/53/58/11/573535811.db2.gz GZLYCAPPVPZSKW-MRVPVSSYSA-N 0 3 199.225 1.135 10 0 ADAEHN Oc1ccccc1[C@H](F)[C@@H]1CCN1 257828116 573535877 /nfs/dbraw/zinc/53/58/77/573535877.db2.gz ICZAXLSMIJHMQE-WPRPVWTQSA-N 0 3 181.210 1.765 10 0 ADAEHN [NH3+]Cc1cc2c([O-])ccc(F)c2[nH]1 107339900 573535928 /nfs/dbraw/zinc/53/59/28/573535928.db2.gz FXAHWWBRNKLPPH-UHFFFAOYSA-N 0 3 180.182 1.471 10 0 ADAEHN CC(C)N1CCC[C@H]1[C@H]1N[C@H](C)CO1 258761391 573535945 /nfs/dbraw/zinc/53/59/45/573535945.db2.gz WSPKHQFBHDDZBI-VWYCJHECSA-N 0 3 198.310 1.194 10 0 ADAEHN Cc1ccc2c(c1)C[C@H](CO)NC2 107336497 573535947 /nfs/dbraw/zinc/53/59/47/573535947.db2.gz USHNTHFGBFQJIE-LLVKDONJSA-N 0 3 177.247 1.002 10 0 ADAEHN CN[C@@H]1CCCc2[nH]c(=O)sc21 107346732 573535978 /nfs/dbraw/zinc/53/59/78/573535978.db2.gz FKETYDNSRIRGJX-RXMQYKEDSA-N 0 3 184.264 1.446 10 0 ADAEHN Cc1cc(F)c([O-])c(C[C@H](C)[NH3+])c1 107345594 573536005 /nfs/dbraw/zinc/53/60/05/573536005.db2.gz GCEKZYMHSYNYSA-ZETCQYMHSA-N 0 3 183.226 1.729 10 0 ADAEHN CC(C)N1CCC[C@@H]1[C@@H]1N[C@H](C)CO1 258761341 573536006 /nfs/dbraw/zinc/53/60/06/573536006.db2.gz WSPKHQFBHDDZBI-GMTAPVOTSA-N 0 3 198.310 1.194 10 0 ADAEHN C[NH2+]CCc1c([O-])ccc(F)c1F 107348181 573539831 /nfs/dbraw/zinc/53/98/31/573539831.db2.gz ZLVPDWBICFUDOM-UHFFFAOYSA-N 0 3 187.189 1.432 10 0 ADAEHN COc1ccccc1OC[C@@H](F)CN 257829154 573539920 /nfs/dbraw/zinc/53/99/20/573539920.db2.gz GRZCLNFWCJPIFH-QMMMGPOBSA-N 0 3 199.225 1.371 10 0 ADAEHN C[C@@H]([NH3+])Cc1cc(F)c(F)cc1[O-] 107348204 573539924 /nfs/dbraw/zinc/53/99/24/573539924.db2.gz VEMNHCGEMOCRQC-RXMQYKEDSA-N 0 3 187.189 1.560 10 0 ADAEHN COc1cccc(N[C@H]2CCCN2)c1 257829219 573539964 /nfs/dbraw/zinc/53/99/64/573539964.db2.gz IQAWDOMBRYGECW-NSHDSACASA-N 0 3 192.262 1.817 10 0 ADAEHN COc1cccc(N[C@@H]2CCCN2)c1 257829218 573538331 /nfs/dbraw/zinc/53/83/31/573538331.db2.gz IQAWDOMBRYGECW-LLVKDONJSA-N 0 3 192.262 1.817 10 0 ADAEHN CC[C@@H](CNCc1cocn1)N(C)C 308617626 573538375 /nfs/dbraw/zinc/53/83/75/573538375.db2.gz SFBMCQKNQFIJRE-JTQLQIEISA-N 0 3 197.282 1.104 10 0 ADAEHN CC[C@@H](N)C(=O)CCc1ccco1 258766677 573539973 /nfs/dbraw/zinc/53/99/73/573539973.db2.gz QQHCUTXTGYVBQY-SECBINFHSA-N 0 3 181.235 1.519 10 0 ADAEHN NC(=O)[C@H]1C[C@H](CC2CCC2)CCN1 236287082 573538556 /nfs/dbraw/zinc/53/85/56/573538556.db2.gz HSOSLCKYNYAMLX-VHSXEESVSA-N 0 3 196.294 1.030 10 0 ADAEHN C[C@H](N)c1ccccc1[S@@](C)=O 238433768 573538572 /nfs/dbraw/zinc/53/85/72/573538572.db2.gz MNHWMCUCOFWLDA-JVXZTZIISA-N 0 3 183.276 1.444 10 0 ADAEHN CC(C)Cc1c[nH]nc1[C@H](C)N 257829340 573538679 /nfs/dbraw/zinc/53/86/79/573538679.db2.gz IXEAIPHBJXHJSA-ZETCQYMHSA-N 0 3 167.256 1.628 10 0 ADAEHN COC(=O)[C@H]1CCN(C)C[C@@H]1C(C)C 257829182 573538630 /nfs/dbraw/zinc/53/86/30/573538630.db2.gz GTKCBWUTDSPHDO-VHSXEESVSA-N 0 3 199.294 1.383 10 0 ADAEHN COC[C@H]1Cc2cc(O)ccc2CN1 257829245 573538654 /nfs/dbraw/zinc/53/86/54/573538654.db2.gz IRDWXSFTSDPGNH-SNVBAGLBSA-N 0 3 193.246 1.053 10 0 ADAEHN COc1c([O-])cc(C2([NH3+])CC2)cc1F 258056441 573538700 /nfs/dbraw/zinc/53/87/00/573538700.db2.gz LCUGZFKZILNSSY-UHFFFAOYSA-N 0 3 197.209 1.488 10 0 ADAEHN C/C=C/CCN[C@H](C)c1cn(C)nn1 715875973 573538740 /nfs/dbraw/zinc/53/87/40/573538740.db2.gz KCPJIQXCTBLJLA-XNPJLODASA-N 0 3 194.282 1.432 10 0 ADAEHN Cc1[nH]c2ccccc2c1[C@@H](N)O 259494414 573538751 /nfs/dbraw/zinc/53/87/51/573538751.db2.gz QMKOBSRTOLASHB-JTQLQIEISA-N 0 3 176.219 1.426 10 0 ADAEHN CNCc1ccc(F)c(F)c1OC 107348245 573538821 /nfs/dbraw/zinc/53/88/21/573538821.db2.gz QKWKKKJSLXLKLC-UHFFFAOYSA-N 0 3 187.189 1.693 10 0 ADAEHN C/C=C/CCN[C@@H](C)c1cn(C)nn1 715875971 573538823 /nfs/dbraw/zinc/53/88/23/573538823.db2.gz KCPJIQXCTBLJLA-MOVJSRMASA-N 0 3 194.282 1.432 10 0 ADAEHN CC[C@H](CNCc1cocn1)N(C)C 308617631 573538965 /nfs/dbraw/zinc/53/89/65/573538965.db2.gz SFBMCQKNQFIJRE-SNVBAGLBSA-N 0 3 197.282 1.104 10 0 ADAEHN C/C=C\CCN[C@H](C)c1cn(C)nn1 715875974 573539059 /nfs/dbraw/zinc/53/90/59/573539059.db2.gz KCPJIQXCTBLJLA-XRVBUDJMSA-N 0 3 194.282 1.432 10 0 ADAEHN C=COc1ccccc1[C@H](N)CCO 238677175 573539109 /nfs/dbraw/zinc/53/91/09/573539109.db2.gz QAEAHTWSIMQXEH-SNVBAGLBSA-N 0 3 193.246 1.591 10 0 ADAEHN C/C=C\CCN[C@@H](C)c1cn(C)nn1 715875972 573539203 /nfs/dbraw/zinc/53/92/03/573539203.db2.gz KCPJIQXCTBLJLA-WBSSQXGSSA-N 0 3 194.282 1.432 10 0 ADAEHN C[C@@H](C[NH3+])c1cc(F)cc(F)c1[O-] 107348225 573539235 /nfs/dbraw/zinc/53/92/35/573539235.db2.gz DHYHJMWOWBXXQF-YFKPBYRVSA-N 0 3 187.189 1.733 10 0 ADAEHN NC1(c2ncc3cccc(F)n23)CC1 257829220 573539353 /nfs/dbraw/zinc/53/93/53/573539353.db2.gz IQAZMHHMQYIBKM-UHFFFAOYSA-N 0 3 191.209 1.421 10 0 ADAEHN C[NH2+]CCc1cc(F)cc(F)c1[O-] 107348220 573539379 /nfs/dbraw/zinc/53/93/79/573539379.db2.gz FTIKJKPANWZKPH-UHFFFAOYSA-N 0 3 187.189 1.432 10 0 ADAEHN C[C@@H]1CCC(=O)[C@@H]1CN(C)C 238434893 573539450 /nfs/dbraw/zinc/53/94/50/573539450.db2.gz CYKSVTDZYMPLQZ-HTQZYQBOSA-N 0 3 155.241 1.163 10 0 ADAEHN C[C@@](N)(CF)c1ccc(F)cc1 238434375 573539519 /nfs/dbraw/zinc/53/95/19/573539519.db2.gz PAKLVAAFQFIRDT-SECBINFHSA-N 0 3 171.190 1.969 10 0 ADAEHN COCCN[C@@H](C)c1ccnc(F)c1 308615525 573539567 /nfs/dbraw/zinc/53/95/67/573539567.db2.gz RRGYEULZTALJLQ-QMMMGPOBSA-N 0 3 198.241 1.518 10 0 ADAEHN CC(=O)c1cc([C@H](C)N)cnc1Cl 238435022 573540759 /nfs/dbraw/zinc/54/07/59/573540759.db2.gz XXUMIUBZIBVHRA-YFKPBYRVSA-N 0 3 198.653 1.957 10 0 ADAEHN CCCc1cc([C@@H](C)NC)nn1C 257829404 573540761 /nfs/dbraw/zinc/54/07/61/573540761.db2.gz IVLMEHRWORRLIP-MRVPVSSYSA-N 0 3 181.283 1.653 10 0 ADAEHN CN1CC[C@](O)(CC[C@@H]2CCCO2)C1 83528399 573539617 /nfs/dbraw/zinc/53/96/17/573539617.db2.gz QNOAEMOLDHNDNX-WDEREUQCSA-N 0 3 199.294 1.012 10 0 ADAEHN COc1cc([C@](C)(F)CN)ccc1O 257829299 573539665 /nfs/dbraw/zinc/53/96/65/573539665.db2.gz ITZBBAJLDUDHRE-SNVBAGLBSA-N 0 3 199.225 1.544 10 0 ADAEHN COCCN[C@H](C)c1ccnc(F)c1 308615524 573539722 /nfs/dbraw/zinc/53/97/22/573539722.db2.gz RRGYEULZTALJLQ-MRVPVSSYSA-N 0 3 198.241 1.518 10 0 ADAEHN Cc1ncc(CN)n1CC(C)C 83534521 573539740 /nfs/dbraw/zinc/53/97/40/573539740.db2.gz QOOJRIQUVGFQGU-UHFFFAOYSA-N 0 3 167.256 1.306 10 0 ADAEHN C[C@H]1C[C@H](C)OP(=O)(CN)O1 238434655 573539874 /nfs/dbraw/zinc/53/98/74/573539874.db2.gz ZPTYKIDAHKCDRH-WDSKDSINSA-N 0 3 179.156 1.310 10 0 ADAEHN CNC[C@H](F)c1ccc(C)o1 257824238 573539878 /nfs/dbraw/zinc/53/98/78/573539878.db2.gz GAMUUDOGPPHZBZ-ZETCQYMHSA-N 0 3 157.188 1.818 10 0 ADAEHN COc1nc2ccsc2cc1CN 258056572 573539996 /nfs/dbraw/zinc/53/99/96/573539996.db2.gz SCPZCPFQYMRKST-UHFFFAOYSA-N 0 3 194.259 1.764 10 0 ADAEHN Cc1ccccc1-n1nccc1CN 107348423 573540018 /nfs/dbraw/zinc/54/00/18/573540018.db2.gz LBFHVKIEFDYFIH-UHFFFAOYSA-N 0 3 187.246 1.639 10 0 ADAEHN COC(=O)[C@@H]1CCN(C)C[C@@H]1C(C)C 257829180 573540024 /nfs/dbraw/zinc/54/00/24/573540024.db2.gz GTKCBWUTDSPHDO-NXEZZACHSA-N 0 3 199.294 1.383 10 0 ADAEHN CN1CC[C@@](CO)(Cc2ccco2)C1 258766980 573540056 /nfs/dbraw/zinc/54/00/56/573540056.db2.gz KWTWBOMZGOSDIS-LLVKDONJSA-N 0 3 195.262 1.136 10 0 ADAEHN C[C@H]1C(=O)C[C@@H]1N1CCCCC1 238435005 573540796 /nfs/dbraw/zinc/54/07/96/573540796.db2.gz QYIKZQXAJPDOCZ-BDAKNGLRSA-N 0 3 167.252 1.450 10 0 ADAEHN Cc1nc(OC2CNC2)sc1C 83533251 573540330 /nfs/dbraw/zinc/54/03/30/573540330.db2.gz IYORHHWJUBWKBJ-UHFFFAOYSA-N 0 3 184.264 1.111 10 0 ADAEHN NCc1ccnn1-c1ccccc1F 107352716 573540393 /nfs/dbraw/zinc/54/03/93/573540393.db2.gz YPODSLAARIIQSI-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN C[NH2+]CCc1cc(F)c(F)cc1[O-] 107348199 573540404 /nfs/dbraw/zinc/54/04/04/573540404.db2.gz RASJNQYKPIOJOK-UHFFFAOYSA-N 0 3 187.189 1.432 10 0 ADAEHN [NH3+]CCc1cc(F)c(Cl)cc1[O-] 107350572 573540462 /nfs/dbraw/zinc/54/04/62/573540462.db2.gz KGAGEXNRUQSZGB-UHFFFAOYSA-N 0 3 189.617 1.686 10 0 ADAEHN CC(C)Cc1c[nH]nc1[C@@H](C)N 257829339 573540538 /nfs/dbraw/zinc/54/05/38/573540538.db2.gz IXEAIPHBJXHJSA-SSDOTTSWSA-N 0 3 167.256 1.628 10 0 ADAEHN CNCc1cc(F)c(F)cc1OC 107348214 573540556 /nfs/dbraw/zinc/54/05/56/573540556.db2.gz YESZIIOPZYGPON-UHFFFAOYSA-N 0 3 187.189 1.693 10 0 ADAEHN NCc1ccnn1-c1ccc(F)cc1 107352708 573540573 /nfs/dbraw/zinc/54/05/73/573540573.db2.gz SIJITAVJRNAJFR-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN CN1CCCC[C@]1(CN)c1ccco1 258770173 573540640 /nfs/dbraw/zinc/54/06/40/573540640.db2.gz QVFKVADHEKFIQH-NSHDSACASA-N 0 3 194.278 1.549 10 0 ADAEHN CNCc1cc(Br)co1 107350691 573540655 /nfs/dbraw/zinc/54/06/55/573540655.db2.gz MLQGMXUZZSPJHQ-UHFFFAOYSA-N 0 3 190.040 1.762 10 0 ADAEHN COC(=O)C(C)(C)[C@@H](N)c1cc[nH]c1 259499856 573540831 /nfs/dbraw/zinc/54/08/31/573540831.db2.gz QWLXEYXNPVPMJY-QMMMGPOBSA-N 0 3 196.250 1.214 10 0 ADAEHN NCc1ccn(-c2ccccc2O)n1 107349504 573540856 /nfs/dbraw/zinc/54/08/56/573540856.db2.gz GVQOKUIUZMUIHE-UHFFFAOYSA-N 0 3 189.218 1.037 10 0 ADAEHN C[NH2+]CCc1ccc(C)c(F)c1[O-] 258056176 573540903 /nfs/dbraw/zinc/54/09/03/573540903.db2.gz LACDPIVQAHZQML-UHFFFAOYSA-N 0 3 183.226 1.602 10 0 ADAEHN COC(=O)[C@H]1CCN(C)C[C@H]1C(C)C 257829181 573540960 /nfs/dbraw/zinc/54/09/60/573540960.db2.gz GTKCBWUTDSPHDO-UWVGGRQHSA-N 0 3 199.294 1.383 10 0 ADAEHN C[C@@H]([NH3+])Cc1c([O-])ccc(F)c1F 107348185 573541425 /nfs/dbraw/zinc/54/14/25/573541425.db2.gz DCRCHLDSEZMQKR-RXMQYKEDSA-N 0 3 187.189 1.560 10 0 ADAEHN COc1ccccc1OC[C@H](F)CN 257829153 573540988 /nfs/dbraw/zinc/54/09/88/573540988.db2.gz GRZCLNFWCJPIFH-MRVPVSSYSA-N 0 3 199.225 1.371 10 0 ADAEHN CCN1CCO[C@@H]([C@H](N)C=C(C)C)C1 86654006 573540991 /nfs/dbraw/zinc/54/09/91/573540991.db2.gz CWAHBERXCFTOIV-GHMZBOCLSA-N 0 3 198.310 1.001 10 0 ADAEHN C[C@H]([NH3+])Cc1cc(F)c(F)cc1[O-] 107348202 573541113 /nfs/dbraw/zinc/54/11/13/573541113.db2.gz VEMNHCGEMOCRQC-YFKPBYRVSA-N 0 3 187.189 1.560 10 0 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1.711 10 0 ADAEHN C[C@@]([NH3+])(CCO)c1cccc([O-])c1F 238433586 573572066 /nfs/dbraw/zinc/57/20/66/573572066.db2.gz PLQKJDZMGZTDSQ-SNVBAGLBSA-N 0 3 199.225 1.088 10 0 ADAEHN NCNCc1csc2ccccc12 258782639 573572162 /nfs/dbraw/zinc/57/21/62/573572162.db2.gz BOSNMOLQQHSUKU-UHFFFAOYSA-N 0 3 192.287 1.907 10 0 ADAEHN Cc1cccc2c1CNC[C@H]2CCO 257832009 573572166 /nfs/dbraw/zinc/57/21/66/573572166.db2.gz JQWFGBYBNZIVNE-SNVBAGLBSA-N 0 3 191.274 1.564 10 0 ADAEHN Cc1cc([C@@H](C)N2CC(N)C2)c(C)o1 83634222 573572455 /nfs/dbraw/zinc/57/24/55/573572455.db2.gz QMSOBIYOWSTQHH-MRVPVSSYSA-N 0 3 194.278 1.600 10 0 ADAEHN Cc1ccc([C@@H](C)N2CC(N)C2)o1 83634772 573572534 /nfs/dbraw/zinc/57/25/34/573572534.db2.gz KEFKMAXSDTYNPN-MRVPVSSYSA-N 0 3 180.251 1.292 10 0 ADAEHN CC[C@@H](c1ccco1)N1CC(N)C1 83634469 573572591 /nfs/dbraw/zinc/57/25/91/573572591.db2.gz VNSAUCMQALDHKN-VIFPVBQESA-N 0 3 180.251 1.374 10 0 ADAEHN CCN1CCNCc2ccc(F)cc21 258064772 573572832 /nfs/dbraw/zinc/57/28/32/573572832.db2.gz 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/nfs/dbraw/zinc/57/43/49/573574349.db2.gz BKVYZFFMLUNWDP-MRVPVSSYSA-N 0 3 165.240 1.017 10 0 ADAEHN C[C@H](c1cccs1)N1CC(N)C1 83634763 573574229 /nfs/dbraw/zinc/57/42/29/573574229.db2.gz VHLXDXZHAPJIEC-SSDOTTSWSA-N 0 3 182.292 1.452 10 0 ADAEHN OCC[C@H]1CNCc2ccc(F)cc21 257832395 573574265 /nfs/dbraw/zinc/57/42/65/573574265.db2.gz JSBIAMSBTZBOPL-VIFPVBQESA-N 0 3 195.237 1.395 10 0 ADAEHN Cc1ccc([C@@H](N)C2(CO)CC2)cc1 259514140 573574267 /nfs/dbraw/zinc/57/42/67/573574267.db2.gz RUJYPFHUNNVYJL-LLVKDONJSA-N 0 3 191.274 1.767 10 0 ADAEHN NC[C@@H](c1cccc(O)c1)N1CCC1 257832470 573574290 /nfs/dbraw/zinc/57/42/90/573574290.db2.gz JUOXAQKQGXSCQK-NSHDSACASA-N 0 3 192.262 1.098 10 0 ADAEHN NC[C@H](c1cccc(O)c1)N1CCC1 257832469 573574400 /nfs/dbraw/zinc/57/44/00/573574400.db2.gz JUOXAQKQGXSCQK-LLVKDONJSA-N 0 3 192.262 1.098 10 0 ADAEHN Cc1ccc(CN2CC(N)C2)cc1F 83634484 573574609 /nfs/dbraw/zinc/57/46/09/573574609.db2.gz OTWWQKDHSGHXQX-UHFFFAOYSA-N 0 3 194.253 1.277 10 0 ADAEHN COC[C@H](N)c1ccsc1 78677616 573576572 /nfs/dbraw/zinc/57/65/72/573576572.db2.gz KKKCUKFZPAXMCL-ZETCQYMHSA-N 0 3 157.238 1.394 10 0 ADAEHN Cc1cccc2c1[C@H](CO)NC2 238445253 573575627 /nfs/dbraw/zinc/57/56/27/573575627.db2.gz ZBHQBZSVFDAJSY-VIFPVBQESA-N 0 3 163.220 1.132 10 0 ADAEHN COc1ccc(OC)c([C@H]2CCN2)c1 78677243 573575666 /nfs/dbraw/zinc/57/56/66/573575666.db2.gz PSDOXJIXNJNWOP-SNVBAGLBSA-N 0 3 193.246 1.738 10 0 ADAEHN Cc1ccc([C@H]2CCN2)o1 78677440 573575687 /nfs/dbraw/zinc/57/56/87/573575687.db2.gz LOBIXAFTFPAODX-SSDOTTSWSA-N 0 3 137.182 1.622 10 0 ADAEHN COc1c(C)ccc2c1[C@H](N)CCO2 238445069 573575726 /nfs/dbraw/zinc/57/57/26/573575726.db2.gz WHCXWPYJGNMGBU-MRVPVSSYSA-N 0 3 193.246 1.786 10 0 ADAEHN CNCc1cnoc1-c1ccncc1 83630966 573575738 /nfs/dbraw/zinc/57/57/38/573575738.db2.gz KNXGMJJNNFSXSP-UHFFFAOYSA-N 0 3 189.218 1.456 10 0 ADAEHN C[C@H](c1ccc(F)cc1)N1CC(N)C1 83634054 573575776 /nfs/dbraw/zinc/57/57/76/573575776.db2.gz GMHZEFWXBZMFMS-MRVPVSSYSA-N 0 3 194.253 1.530 10 0 ADAEHN 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/nfs/dbraw/zinc/57/81/64/573578164.db2.gz ZUHPEAOILHFBAJ-UHFFFAOYSA-N 0 3 178.235 1.428 10 0 ADAEHN Oc1cccc(C[C@H]2NCCCO2)c1 258795926 573578269 /nfs/dbraw/zinc/57/82/69/573578269.db2.gz XXEXRGOFDNBJFW-NSHDSACASA-N 0 3 193.246 1.271 10 0 ADAEHN OC[C@@H](CNCC1(F)CC1)C1CC1 308401442 573578385 /nfs/dbraw/zinc/57/83/85/573578385.db2.gz IPTPMMYTIILPLJ-SECBINFHSA-N 0 3 187.258 1.097 10 0 ADAEHN NCc1cnc(Nc2cc[nH]c2)s1 258793948 573578412 /nfs/dbraw/zinc/57/84/12/573578412.db2.gz SKIRCSVSXXDDRN-UHFFFAOYSA-N 0 3 194.263 1.674 10 0 ADAEHN Cc1cc(C2(N)CC2)nn1C(C)(C)C 257832996 573578448 /nfs/dbraw/zinc/57/84/48/573578448.db2.gz JWJPZIUUXVUBJM-UHFFFAOYSA-N 0 3 193.294 1.894 10 0 ADAEHN COc1ccc([C@@H]2CCN2)c(OC)c1 78677231 573578478 /nfs/dbraw/zinc/57/84/78/573578478.db2.gz VKTBNGFOKVPAIR-JTQLQIEISA-N 0 3 193.246 1.738 10 0 ADAEHN NCNCc1ccc2c(c1)CCC2 258787096 573578510 /nfs/dbraw/zinc/57/85/10/573578510.db2.gz CADLXFUTPLAHJA-UHFFFAOYSA-N 0 3 176.263 1.181 10 0 ADAEHN CC1CN(Cc2ccccc2N)C1 86688179 573578633 /nfs/dbraw/zinc/57/86/33/573578633.db2.gz MEPVXCOWWIVZJD-UHFFFAOYSA-N 0 3 176.263 1.721 10 0 ADAEHN CC(=O)C[C@H]1CCN(C)[C@@H](C)C1 107405016 573578740 /nfs/dbraw/zinc/57/87/40/573578740.db2.gz BWXPJYYGBBULNY-WPRPVWTQSA-N 0 3 169.268 1.696 10 0 ADAEHN Cc1cc([C@H](N)CCO)c(C)o1 78677465 573578803 /nfs/dbraw/zinc/57/88/03/573578803.db2.gz OXVXJPVUJDBHHH-SECBINFHSA-N 0 3 169.224 1.279 10 0 ADAEHN Cc1cc(C(=N)NO)ccc1Cl 144410295 573578815 /nfs/dbraw/zinc/57/88/15/573578815.db2.gz FCHICZCVYPXKQV-UHFFFAOYSA-N 0 3 184.626 1.953 10 0 ADAEHN COC[C@H](N)c1cnccc1C 78677612 573578853 /nfs/dbraw/zinc/57/88/53/573578853.db2.gz TWVRMKVQMRXSOS-VIFPVBQESA-N 0 3 166.224 1.036 10 0 ADAEHN C[C@@H](c1ccccc1N)N(C)C 86687938 573578865 /nfs/dbraw/zinc/57/88/65/573578865.db2.gz GODSOLGAWCVGBQ-QMMMGPOBSA-N 0 3 164.252 1.891 10 0 ADAEHN Cc1cc(F)cc([C@H](N)CN(C)C)c1 86693690 573578950 /nfs/dbraw/zinc/57/89/50/573578950.db2.gz OGMLAKKPBWFXHQ-LLVKDONJSA-N 0 3 196.269 1.696 10 0 ADAEHN Fc1ccc([C@H]2CCN2)c(F)c1 78678142 573578971 /nfs/dbraw/zinc/57/89/71/573578971.db2.gz YJKOJFXDZNYRDN-SECBINFHSA-N 0 3 169.174 1.999 10 0 ADAEHN C[C@H](N)c1ccc(F)c2c1OCC2 238440925 573579037 /nfs/dbraw/zinc/57/90/37/573579037.db2.gz OBDFHCGXBZFMGV-LURJTMIESA-N 0 3 181.210 1.780 10 0 ADAEHN CNCc1cnc([C@@H]2CCSC2)o1 258065170 573579111 /nfs/dbraw/zinc/57/91/11/573579111.db2.gz LPBBBDPFOPLOBM-SSDOTTSWSA-N 0 3 198.291 1.615 10 0 ADAEHN Cc1ccc2c(c1)[C@H](CO)CNC2 257832962 573579212 /nfs/dbraw/zinc/57/92/12/573579212.db2.gz KFTNFQQXUVLCGQ-JTQLQIEISA-N 0 3 177.247 1.174 10 0 ADAEHN COC[C@@H](N)c1cnccc1C 78677609 573579249 /nfs/dbraw/zinc/57/92/49/573579249.db2.gz TWVRMKVQMRXSOS-SECBINFHSA-N 0 3 166.224 1.036 10 0 ADAEHN COc1occc1[C@H](C)N 238441132 573579313 /nfs/dbraw/zinc/57/93/13/573579313.db2.gz AWXWUHWKFDGZJM-YFKPBYRVSA-N 0 3 141.170 1.308 10 0 ADAEHN C[C@@H](Cn1cccn1)NC(C)(C)CF 308636515 573579343 /nfs/dbraw/zinc/57/93/43/573579343.db2.gz CMFQSRPTTVWGQX-VIFPVBQESA-N 0 3 199.273 1.609 10 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1.698 10 0 ADAEHN COc1ccc(OC)c([C@@H]2CCN2)c1 78677239 573579790 /nfs/dbraw/zinc/57/97/90/573579790.db2.gz PSDOXJIXNJNWOP-JTQLQIEISA-N 0 3 193.246 1.738 10 0 ADAEHN Cc1ccc2c(c1)[C@@H](CO)CNC2 257832963 573579800 /nfs/dbraw/zinc/57/98/00/573579800.db2.gz KFTNFQQXUVLCGQ-SNVBAGLBSA-N 0 3 177.247 1.174 10 0 ADAEHN COc1occc1[C@@H](C)N 238440908 573579916 /nfs/dbraw/zinc/57/99/16/573579916.db2.gz AWXWUHWKFDGZJM-RXMQYKEDSA-N 0 3 141.170 1.308 10 0 ADAEHN CC(=O)C[C@@H]1CCN(C)[C@@H](C)C1 107405007 573579939 /nfs/dbraw/zinc/57/99/39/573579939.db2.gz BWXPJYYGBBULNY-WCBMZHEXSA-N 0 3 169.268 1.696 10 0 ADAEHN Cn1nc(CN)c2c(F)cccc21 107410049 573582854 /nfs/dbraw/zinc/58/28/54/573582854.db2.gz ZLXOREOSRXWWCR-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN CN1CCc2sc(N)cc2C1 75464313 573580008 /nfs/dbraw/zinc/58/00/08/573580008.db2.gz PXEDVGJSVSUSGC-UHFFFAOYSA-N 0 3 168.265 1.318 10 0 ADAEHN COC[C@@](C)(N)c1cc(C)cc(F)c1 86692918 573580147 /nfs/dbraw/zinc/58/01/47/573580147.db2.gz INZMUSUFLDOSNY-LLVKDONJSA-N 0 3 197.253 1.954 10 0 ADAEHN NC1(c2c(Cl)n[nH]c2C2CC2)CC1 214920733 573580186 /nfs/dbraw/zinc/58/01/86/573580186.db2.gz NJBJSKIIRFJZRF-UHFFFAOYSA-N 0 3 197.669 1.888 10 0 ADAEHN C[C@](O)(C1CC1)[C@@H](N)c1cccnc1 238441059 573580344 /nfs/dbraw/zinc/58/03/44/573580344.db2.gz BCCOKIYAHAQIJT-QWRGUYRKSA-N 0 3 192.262 1.242 10 0 ADAEHN Nc1cccc(CN2CC3(CC3)C2)c1 86688249 573580396 /nfs/dbraw/zinc/58/03/96/573580396.db2.gz YFYSKPXDPZNQKV-UHFFFAOYSA-N 0 3 188.274 1.865 10 0 ADAEHN CN1CC[C@H](O)[C@@H](c2ccccc2)C1 144372240 573580656 /nfs/dbraw/zinc/58/06/56/573580656.db2.gz WXNJIUYYKRKABN-NEPJUHHUSA-N 0 3 191.274 1.467 10 0 ADAEHN C[C@@H]1CCN1Cc1cccc(N)c1 86688254 573580925 /nfs/dbraw/zinc/58/09/25/573580925.db2.gz RCZYCOIWUFNTKW-SECBINFHSA-N 0 3 176.263 1.863 10 0 ADAEHN Cc1ccc(CCNCN)c(C)c1 258804010 573580943 /nfs/dbraw/zinc/58/09/43/573580943.db2.gz DSTAUXRMWFKIPG-UHFFFAOYSA-N 0 3 178.279 1.352 10 0 ADAEHN Cn1nc(CN)c2ccc(F)cc21 107410043 573580954 /nfs/dbraw/zinc/58/09/54/573580954.db2.gz PQOZSQWCCLGXCL-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN COc1c(O)cccc1[C@H](F)CN 257833157 573581042 /nfs/dbraw/zinc/58/10/42/573581042.db2.gz KWLWZOXEPWPEOF-SSDOTTSWSA-N 0 3 185.198 1.370 10 0 ADAEHN COc1occc1[C@H](N)C1CC1 238441204 573581052 /nfs/dbraw/zinc/58/10/52/573581052.db2.gz RWNVMDFHPXIACT-MRVPVSSYSA-N 0 3 167.208 1.698 10 0 ADAEHN C[C@](O)(C1CC1)[C@H](N)c1cccnc1 238441078 573581063 /nfs/dbraw/zinc/58/10/63/573581063.db2.gz BCCOKIYAHAQIJT-MNOVXSKESA-N 0 3 192.262 1.242 10 0 ADAEHN Nc1ccccc1CN1CC2(CC2)C1 86688187 573581076 /nfs/dbraw/zinc/58/10/76/573581076.db2.gz OSPUWEOKYQWQOG-UHFFFAOYSA-N 0 3 188.274 1.865 10 0 ADAEHN CC[C@H](c1cnn(C)c1)N(C)CC 308402654 573581104 /nfs/dbraw/zinc/58/11/04/573581104.db2.gz HUSHUCVQYHLKLW-SNVBAGLBSA-N 0 3 181.283 1.823 10 0 ADAEHN CC[C@H](NC(=O)[C@@H](C)N)C(C)(C)C 308637416 573581117 /nfs/dbraw/zinc/58/11/17/573581117.db2.gz CUYILTQIURPYCZ-SFYZADRCSA-N 0 3 186.299 1.275 10 0 ADAEHN Cc1cc(F)cc([C@H](O)CN(C)C)c1 86693216 573581131 /nfs/dbraw/zinc/58/11/31/573581131.db2.gz AZXJWVQRSRIIIB-LLVKDONJSA-N 0 3 197.253 1.729 10 0 ADAEHN Cc1ccc2c(CN)nn(C)c2c1 107407655 573581138 /nfs/dbraw/zinc/58/11/38/573581138.db2.gz SSXIVFSBBUIBDX-UHFFFAOYSA-N 0 3 175.235 1.340 10 0 ADAEHN c1cnc2c(c1)CC[C@H]2NC1CC1 107407475 573581345 /nfs/dbraw/zinc/58/13/45/573581345.db2.gz FFBWZAHWPWCTGA-SNVBAGLBSA-N 0 3 174.247 1.821 10 0 ADAEHN COc1ccc(CCNCN)cc1C 258808522 573581417 /nfs/dbraw/zinc/58/14/17/573581417.db2.gz DZTKWJXKPIKNRB-UHFFFAOYSA-N 0 3 194.278 1.052 10 0 ADAEHN CNC(C)(C)C(=O)c1cc[nH]c1 259114658 573581599 /nfs/dbraw/zinc/58/15/99/573581599.db2.gz IDKUDRKPXSQIMG-UHFFFAOYSA-N 0 3 166.224 1.195 10 0 ADAEHN CN1CCCC[C@H]1[C@@H]1NC(C)(C)CO1 258807748 573581601 /nfs/dbraw/zinc/58/16/01/573581601.db2.gz YFIVRZBNFLZTLB-VHSXEESVSA-N 0 3 198.310 1.195 10 0 ADAEHN C[C@@H](O)[C@@](F)(CN)c1ccccc1 238441090 573581671 /nfs/dbraw/zinc/58/16/71/573581671.db2.gz LGDQQHOOXJVDJI-SCZZXKLOSA-N 0 3 183.226 1.191 10 0 ADAEHN NCc1c[nH]c(-c2ccc(F)cn2)n1 86707976 573581772 /nfs/dbraw/zinc/58/17/72/573581772.db2.gz JLPYSTCSQMFOMA-UHFFFAOYSA-N 0 3 192.197 1.070 10 0 ADAEHN CC[C@H](NC)c1ccc(F)cn1 86706783 573581785 /nfs/dbraw/zinc/58/17/85/573581785.db2.gz LGDQNKYUTURFJA-QMMMGPOBSA-N 0 3 168.215 1.891 10 0 ADAEHN N[C@H](c1ccc(F)cn1)[C@@H]1CCOC1 86705348 573581800 /nfs/dbraw/zinc/58/18/00/573581800.db2.gz GNZMWFVPEUYVRM-XCBNKYQSSA-N 0 3 196.225 1.257 10 0 ADAEHN CCNC(=N)c1ccc(F)cn1 86708068 573581815 /nfs/dbraw/zinc/58/18/15/573581815.db2.gz YQYQJPCRTDPFPA-UHFFFAOYSA-N 0 3 167.187 1.156 10 0 ADAEHN COc1ccc2c(c1)OC(C)C2=O 107409407 573581891 /nfs/dbraw/zinc/58/18/91/573581891.db2.gz JLUMBZHKKNHJDG-LURJTMIESA-N 0 3 178.187 1.659 10 0 ADAEHN CN1CCCC[C@@H]1[C@H]1NC(C)(C)CO1 258807763 573582055 /nfs/dbraw/zinc/58/20/55/573582055.db2.gz YFIVRZBNFLZTLB-ZJUUUORDSA-N 0 3 198.310 1.195 10 0 ADAEHN COc1occc1[C@H](N)C(C)C 238441159 573582119 /nfs/dbraw/zinc/58/21/19/573582119.db2.gz KEDDWPHQCQBKSU-MRVPVSSYSA-N 0 3 169.224 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10 0 ADAEHN CNC[C@@H](F)c1cccs1 257833143 573583527 /nfs/dbraw/zinc/58/35/27/573583527.db2.gz KVUDZGOWDQLRBB-ZCFIWIBFSA-N 0 3 159.229 1.978 10 0 ADAEHN C[C@H]1CO[C@](C)(Cc2ccccc2)N1 258808137 573582602 /nfs/dbraw/zinc/58/26/02/573582602.db2.gz YGECBJUDRJVAJQ-CMPLNLGQSA-N 0 3 191.274 1.954 10 0 ADAEHN CCCC(=O)O[C@@H]1CCN(CCC)C1 308402685 573582620 /nfs/dbraw/zinc/58/26/20/573582620.db2.gz ALCDSEGCYCNGRU-SNVBAGLBSA-N 0 3 199.294 1.814 10 0 ADAEHN C[C@@H](N)c1n[nH]c2cccc(F)c12 107410034 573582649 /nfs/dbraw/zinc/58/26/49/573582649.db2.gz SHXBMXXLXOKOCZ-RXMQYKEDSA-N 0 3 179.198 1.722 10 0 ADAEHN C[C@H]1C[C@]1(N)c1ccc(F)cn1 86707574 573582653 /nfs/dbraw/zinc/58/26/53/573582653.db2.gz RHYSRXWMQMZTSA-IMTBSYHQSA-N 0 3 166.199 1.415 10 0 ADAEHN CNC[C@@H](F)c1ccc(O)c(OC)c1 257833176 573582710 /nfs/dbraw/zinc/58/27/10/573582710.db2.gz KXHOODQFWULQQD-MRVPVSSYSA-N 0 3 199.225 1.631 10 0 ADAEHN CNCN(C)CCc1ccc(C)cc1 258800034 573582719 /nfs/dbraw/zinc/58/27/19/573582719.db2.gz 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193.294 1.968 10 0 ADAEHN Cc1ncc(C(F)F)c(N)c1CN 238462727 573645670 /nfs/dbraw/zinc/64/56/70/573645670.db2.gz WYSSFIIADHDOMH-UHFFFAOYSA-N 0 3 187.193 1.369 10 0 ADAEHN C[C@@H]1C[C@@H]1C(=O)Cc1cnccc1N 83806493 573645711 /nfs/dbraw/zinc/64/57/11/573645711.db2.gz GMWMPMHODDPOMK-APPZFPTMSA-N 0 3 190.246 1.431 10 0 ADAEHN CSCC[C@H](C)n1cncc1CN 130660718 573645803 /nfs/dbraw/zinc/64/58/03/573645803.db2.gz WIIPTNBTXNEFQW-QMMMGPOBSA-N 0 3 199.323 1.656 10 0 ADAEHN C[C@H](N)c1n[nH]cc1C1CC1 257838741 573645856 /nfs/dbraw/zinc/64/58/56/573645856.db2.gz NAIQHGSNGZWVAR-YFKPBYRVSA-N 0 3 151.213 1.307 10 0 ADAEHN C[C@@H](O)[C@@H](C)NCc1ccoc1 130675998 573645918 /nfs/dbraw/zinc/64/59/18/573645918.db2.gz ZMXLVYYALCAUIA-HTQZYQBOSA-N 0 3 169.224 1.139 10 0 ADAEHN COC(=O)[C@H](C)CNCc1ccoc1 130659701 573645968 /nfs/dbraw/zinc/64/59/68/573645968.db2.gz YMUWYZOAZAIDMJ-MRVPVSSYSA-N 0 3 197.234 1.178 10 0 ADAEHN CCc1c[nH]c(C(C)(C)NC)n1 259149784 573646001 /nfs/dbraw/zinc/64/60/01/573646001.db2.gz 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CCc1ccc(CNCN)cc1 258890696 573713183 /nfs/dbraw/zinc/71/31/83/573713183.db2.gz MXAKGXDFDOXVNC-UHFFFAOYSA-N 0 3 164.252 1.255 10 0 ADAEHN N[C@H](CO)c1ccc2cnccc2c1 108267793 573713190 /nfs/dbraw/zinc/71/31/90/573713190.db2.gz DTKVFFNKBRLXKM-LLVKDONJSA-N 0 3 188.230 1.227 10 0 ADAEHN Cc1ccc2ncc(CN)nc2c1 258101954 573713192 /nfs/dbraw/zinc/71/31/92/573713192.db2.gz XUVQQUDGEQHZIG-UHFFFAOYSA-N 0 3 173.219 1.397 10 0 ADAEHN Cc1cc(O)c2c(c1)[C@@H](N)CO2 238492596 573713205 /nfs/dbraw/zinc/71/32/05/573713205.db2.gz ISJCKDJJWJSQRJ-ZETCQYMHSA-N 0 3 165.192 1.093 10 0 ADAEHN N=C1N[C@H](CCc2ccccc2)CO1 83952611 573715578 /nfs/dbraw/zinc/71/55/78/573715578.db2.gz RWFKAYWCTYRPQU-SNVBAGLBSA-N 0 3 190.246 1.333 10 0 ADAEHN c1ccc(SC[C@@H]2CNCO2)cc1 238040114 573715810 /nfs/dbraw/zinc/71/58/10/573715810.db2.gz UVAXFVWRSDSFJK-VIFPVBQESA-N 0 3 195.287 1.725 10 0 ADAEHN C[C@H](c1ccccc1)[C@H]1COC(=N)N1 83964728 573717408 /nfs/dbraw/zinc/71/74/08/573717408.db2.gz LDIIKMZTASOTJB-PSASIEDQSA-N 0 3 190.246 1.504 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162.192 1.643 10 0 ADAEHN CCN[C@@H]1CCOc2c(O)cccc21 257870360 573766210 /nfs/dbraw/zinc/76/62/10/573766210.db2.gz SXUGHKTUXTVFJE-SECBINFHSA-N 0 3 193.246 1.825 10 0 ADAEHN Cc1cc(C)c(CN(C)CN)c(C)c1 258929320 573766211 /nfs/dbraw/zinc/76/62/11/573766211.db2.gz RLAFRGMNOXGIGF-UHFFFAOYSA-N 0 3 192.306 1.960 10 0 ADAEHN Cc1ccc2c(c1)N1[C@H](N)CC[C@@H]1C2 257872541 573766290 /nfs/dbraw/zinc/76/62/90/573766290.db2.gz TZQKTPYMHZUWBL-PWSUYJOCSA-N 0 3 188.274 1.805 10 0 ADAEHN CN(CCCCO)Cc1ccc[nH]1 258926454 573766443 /nfs/dbraw/zinc/76/64/43/573766443.db2.gz GQPVROPONIVCAN-UHFFFAOYSA-N 0 3 182.267 1.219 10 0 ADAEHN N[C@@H]1CC[C@H]2Cc3ccc(O)cc3N12 257871331 573766708 /nfs/dbraw/zinc/76/67/08/573766708.db2.gz SZRAUJGFFOCGQH-KWQFWETISA-N 0 3 190.246 1.202 10 0 ADAEHN N[C@H]1CC[C@H]2Cc3ccc(O)cc3N21 257871325 573766818 /nfs/dbraw/zinc/76/68/18/573766818.db2.gz SZRAUJGFFOCGQH-GZMMTYOYSA-N 0 3 190.246 1.202 10 0 ADAEHN Cc1ccc2c(c1)N1[C@H](N)CC[C@H]1C2 257872540 573766968 /nfs/dbraw/zinc/76/69/68/573766968.db2.gz TZQKTPYMHZUWBL-JQWIXIFHSA-N 0 3 188.274 1.805 10 0 ADAEHN CCn1ncc(CNC2CCC2)c1N 257872097 573768809 /nfs/dbraw/zinc/76/88/09/573768809.db2.gz FKDQQQBFDFGRAA-UHFFFAOYSA-N 0 3 194.282 1.127 10 0 ADAEHN Cc1cc(C(F)F)c(N)nc1CN 238508997 573768957 /nfs/dbraw/zinc/76/89/57/573768957.db2.gz GGLYUHJSEYBRRH-UHFFFAOYSA-N 0 3 187.193 1.369 10 0 ADAEHN COC1(CC2CCCC2)CNC1 258424010 573769004 /nfs/dbraw/zinc/76/90/04/573769004.db2.gz CFJHUJALKIMKMI-UHFFFAOYSA-N 0 3 169.268 1.555 10 0 ADAEHN C[C@@H](O)C(F)(F)C[C@H]1CCN(C)C1 257872493 573769201 /nfs/dbraw/zinc/76/92/01/573769201.db2.gz TYVXARPMQZPMLQ-HTQZYQBOSA-N 0 3 193.237 1.344 10 0 ADAEHN C[C@@]1(C2CC2)CC(F)(F)CN1 258125835 573769082 /nfs/dbraw/zinc/76/90/82/573769082.db2.gz PYRRSKCGNIIEEC-ZETCQYMHSA-N 0 3 161.195 1.784 10 0 ADAEHN COC[C@@H]1NCCc2cccc(C)c21 257871418 573769110 /nfs/dbraw/zinc/76/91/10/573769110.db2.gz TVWQULBKOFQTFQ-NSHDSACASA-N 0 3 191.274 1.828 10 0 ADAEHN Cc1ccccc1CCNCN 258933934 573769113 /nfs/dbraw/zinc/76/91/13/573769113.db2.gz SCJTZLCVHLIZGO-UHFFFAOYSA-N 0 3 164.252 1.043 10 0 ADAEHN CCN(CC)CC(=O)[C@H]1CCCCN1 259177383 573769148 /nfs/dbraw/zinc/76/91/48/573769148.db2.gz IDPDFBNOJRAUJZ-SNVBAGLBSA-N 0 3 198.310 1.039 10 0 ADAEHN COCCNC/C=C/c1cscn1 127096597 573770178 /nfs/dbraw/zinc/77/01/78/573770178.db2.gz PGFHKKXJCCMOKT-NSCUHMNNSA-N 0 3 198.291 1.392 10 0 ADAEHN CC(C)SC1(N)CC1 259179798 573772350 /nfs/dbraw/zinc/77/23/50/573772350.db2.gz IICPGPZEKGLIMU-UHFFFAOYSA-N 0 3 131.244 1.577 10 0 ADAEHN OCC1(NC/C=C/c2ccco2)CC1 127102572 573771317 /nfs/dbraw/zinc/77/13/17/573771317.db2.gz HLPVLDAQDHPVAH-HNQUOIGGSA-N 0 3 193.246 1.407 10 0 ADAEHN Cn1cccc1[C@@H]1CCNC[C@H]1F 238511683 573771486 /nfs/dbraw/zinc/77/14/86/573771486.db2.gz UTYKJSRHTOGCHL-RKDXNWHRSA-N 0 3 182.242 1.440 10 0 ADAEHN CC[C@@H](C)N(C)c1ccnc(CO)c1 40865174 573771503 /nfs/dbraw/zinc/77/15/03/573771503.db2.gz LQNTZGMUKNBAAM-SECBINFHSA-N 0 3 194.278 1.809 10 0 ADAEHN Cc1cccc2c(CN)[nH]c(=O)nc12 257875267 573771555 /nfs/dbraw/zinc/77/15/55/573771555.db2.gz UJKUFRBZYWTGOG-UHFFFAOYSA-N 0 3 189.218 1.103 10 0 ADAEHN OCCC[C@@H]1Cc2ccccc2CN1 258126474 573771624 /nfs/dbraw/zinc/77/16/24/573771624.db2.gz MALMCOHNNBQQNW-GFCCVEGCSA-N 0 3 191.274 1.473 10 0 ADAEHN COc1ccccc1C12CC(C1)N2 258127209 573772261 /nfs/dbraw/zinc/77/22/61/573772261.db2.gz KESACUVRHLWZQR-UHFFFAOYSA-N 0 3 175.231 1.656 10 0 ADAEHN C(=C/c1ccco1)\CN[C@H]1CCOC1 127101838 573771992 /nfs/dbraw/zinc/77/19/92/573771992.db2.gz UYCZWCLZBAVQRN-GXTWCOJYSA-N 0 3 193.246 1.671 10 0 ADAEHN Nc1cnoc1CNC1CCCC1 257874760 573772052 /nfs/dbraw/zinc/77/20/52/573772052.db2.gz FZPYYKMOLWVJCC-UHFFFAOYSA-N 0 3 181.239 1.289 10 0 ADAEHN CC[C@@]1(NCc2ccc[nH]2)CCOC1 308717682 573772118 /nfs/dbraw/zinc/77/21/18/573772118.db2.gz BZFHGWFOIBHCEQ-LLVKDONJSA-N 0 3 194.278 1.673 10 0 ADAEHN CC[C@H](C)N(C)c1ccnc(CO)c1 40865177 573772305 /nfs/dbraw/zinc/77/23/05/573772305.db2.gz LQNTZGMUKNBAAM-VIFPVBQESA-N 0 3 194.278 1.809 10 0 ADAEHN 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C[C@@H]([NH3+])C1(c2ccc([O-])cc2F)CC1 258118719 573777972 /nfs/dbraw/zinc/77/79/72/573777972.db2.gz QKOXYPSGXYWLMS-SSDOTTSWSA-N 0 3 195.237 1.910 10 0 ADAEHN COc1cc(CN)c(OC)cc1F 108370318 573778009 /nfs/dbraw/zinc/77/80/09/573778009.db2.gz KLTWPBTZYGYKOQ-UHFFFAOYSA-N 0 3 185.198 1.302 10 0 ADAEHN CCNCc1ccnn1CCSC 131193438 573778025 /nfs/dbraw/zinc/77/80/25/573778025.db2.gz XZVIBHXYTOWDND-UHFFFAOYSA-N 0 3 199.323 1.356 10 0 ADAEHN C[C@@H](N)c1c(F)ccc2c1OCO2 108369865 573778033 /nfs/dbraw/zinc/77/80/33/573778033.db2.gz NVDJECDXSQDEDM-RXMQYKEDSA-N 0 3 183.182 1.574 10 0 ADAEHN C[C@@H]1CN[C@](C)([C@H]2CCCS2)O1 258515048 573779337 /nfs/dbraw/zinc/77/93/37/573779337.db2.gz MVMYWDWLDWNZKV-HLTSFMKQSA-N 0 3 187.308 1.607 10 0 ADAEHN CNCc1cc(OC)c(O)cc1F 108370335 573779487 /nfs/dbraw/zinc/77/94/87/573779487.db2.gz FOTCNTMGYIKZIS-UHFFFAOYSA-N 0 3 185.198 1.259 10 0 ADAEHN CC(=O)c1cc(CN)cs1 108366662 573779128 /nfs/dbraw/zinc/77/91/28/573779128.db2.gz BAEYAHZRRLTHFG-UHFFFAOYSA-N 0 3 155.222 1.409 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3 194.278 1.423 10 0 ADAEHN CC(C)n1cccc(C2(N)CC2)c1=O 257876248 573779698 /nfs/dbraw/zinc/77/96/98/573779698.db2.gz UNYFUWKRGQTBJD-UHFFFAOYSA-N 0 3 192.262 1.377 10 0 ADAEHN Cn1c(NCCCCF)cccc1=O 308736345 573779701 /nfs/dbraw/zinc/77/97/01/573779701.db2.gz LOIDTDZIXNHYEZ-UHFFFAOYSA-N 0 3 198.241 1.547 10 0 ADAEHN COc1cc(F)c([C@H](C)N)cc1O 108370330 573780598 /nfs/dbraw/zinc/78/05/98/573780598.db2.gz GNDBJSGAPLAGGY-YFKPBYRVSA-N 0 3 185.198 1.560 10 0 ADAEHN CC(=O)c1cnc([C@H]2CCCN2)o1 258129230 573779732 /nfs/dbraw/zinc/77/97/32/573779732.db2.gz PESMSJDTSMPIBO-SSDOTTSWSA-N 0 3 180.207 1.302 10 0 ADAEHN CNCc1cc(O)c(OC)cc1F 108370327 573779740 /nfs/dbraw/zinc/77/97/40/573779740.db2.gz DJPAUFHCTWRDRY-UHFFFAOYSA-N 0 3 185.198 1.259 10 0 ADAEHN CNCc1cc(F)cc(F)c1C 108367900 573779760 /nfs/dbraw/zinc/77/97/60/573779760.db2.gz RHZSWEMYRXPGON-UHFFFAOYSA-N 0 3 171.190 1.993 10 0 ADAEHN CC[C@@H](NCCO)c1ncccc1C 308735815 573779805 /nfs/dbraw/zinc/77/98/05/573779805.db2.gz LHHHYJFCCMPAQI-SNVBAGLBSA-N 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192.237 1.635 10 0 ADAEHN C[C@H](N)c1ncc2ccc(O)cn12 258137861 573808811 /nfs/dbraw/zinc/80/88/11/573808811.db2.gz GQOVSFXDULWITG-LURJTMIESA-N 0 3 177.207 1.060 10 0 ADAEHN COCNCC(C)(C)c1ccc[nH]1 258959656 573808867 /nfs/dbraw/zinc/80/88/67/573808867.db2.gz ANCMIQGOGDCIAU-UHFFFAOYSA-N 0 3 182.267 1.486 10 0 ADAEHN CCC(CC)N1CC(C)(O)C1 87171757 573808902 /nfs/dbraw/zinc/80/89/02/573808902.db2.gz UXFCUOLGYUHRGY-UHFFFAOYSA-N 0 3 157.257 1.242 10 0 ADAEHN C[C@@H](N)c1nc(Br)c[nH]1 259197179 573808953 /nfs/dbraw/zinc/80/89/53/573808953.db2.gz PYWHRUBAEDULAO-GSVOUGTGSA-N 0 3 190.044 1.192 10 0 ADAEHN C[C@@H](N)[C@@H](F)c1ccccc1O 258430007 573808973 /nfs/dbraw/zinc/80/89/73/573808973.db2.gz CSUUOCIVGPIJMJ-HZGVNTEJSA-N 0 3 169.199 1.750 10 0 ADAEHN C[C@H](N)c1nc(Br)c[nH]1 259197180 573808984 /nfs/dbraw/zinc/80/89/84/573808984.db2.gz PYWHRUBAEDULAO-VKHMYHEASA-N 0 3 190.044 1.192 10 0 ADAEHN CC[C@H]1C[C@@]1(N)c1nccn1C 122738517 573809017 /nfs/dbraw/zinc/80/90/17/573809017.db2.gz 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/nfs/dbraw/zinc/81/14/78/573811478.db2.gz KWBVIEVISNEJFT-APPZFPTMSA-N 0 3 165.240 1.004 10 0 ADAEHN CC(C)[N@@H+]1Cc2c(n(C)[n-]c2=O)[C@H]1C 107236676 573811506 /nfs/dbraw/zinc/81/15/06/573811506.db2.gz NNCARKVMUIYWEO-SSDOTTSWSA-N 0 3 195.266 1.411 10 0 ADAEHN CC(C)[N@H+]1Cc2c(n(C)[n-]c2=O)[C@H]1C 107236676 573811511 /nfs/dbraw/zinc/81/15/11/573811511.db2.gz NNCARKVMUIYWEO-SSDOTTSWSA-N 0 3 195.266 1.411 10 0 ADAEHN CC(C)N1Cc2c(n(C)[nH]c2=O)[C@H]1C 107236676 573811517 /nfs/dbraw/zinc/81/15/17/573811517.db2.gz NNCARKVMUIYWEO-SSDOTTSWSA-N 0 3 195.266 1.411 10 0 ADAEHN CN(C)[C@@H]1CNc2ccc(O)cc2C1 257879294 573811518 /nfs/dbraw/zinc/81/15/18/573811518.db2.gz VCONVBGAJBQMCG-VIFPVBQESA-N 0 3 192.262 1.290 10 0 ADAEHN Cc1c(N)ncc(CN)c1C(F)F 238529280 573811545 /nfs/dbraw/zinc/81/15/45/573811545.db2.gz UQAITANUSNYXLU-UHFFFAOYSA-N 0 3 187.193 1.369 10 0 ADAEHN COc1cc2cnoc2cc1CN 259571612 573811609 /nfs/dbraw/zinc/81/16/09/573811609.db2.gz WJYDJVKDBJCRNP-UHFFFAOYSA-N 0 3 178.191 1.295 10 0 ADAEHN C[C@H](N)c1ccc(F)c2c1OCO2 258140980 573812566 /nfs/dbraw/zinc/81/25/66/573812566.db2.gz SNRSLVFSNSLKBR-YFKPBYRVSA-N 0 3 183.182 1.574 10 0 ADAEHN N[C@@H]1C[C@@]1(c1ccccc1O)C1CC1 257880353 573812624 /nfs/dbraw/zinc/81/26/24/573812624.db2.gz VJGXHUNLZIZUGG-NEPJUHHUSA-N 0 3 189.258 1.771 10 0 ADAEHN Cc1ccc2c(c1)C[C@@H]1CC[C@@H](N)N21 257880394 573812634 /nfs/dbraw/zinc/81/26/34/573812634.db2.gz VJMHMMGEWRNLNQ-JQWIXIFHSA-N 0 3 188.274 1.805 10 0 ADAEHN Oc1ccc([C@@H]2CSCCN2)cc1 257880309 573813703 /nfs/dbraw/zinc/81/37/03/573813703.db2.gz VIRVKWNNVQRRKT-JTQLQIEISA-N 0 3 195.287 1.770 10 0 ADAEHN c1cc(CN[C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 41047324 573812663 /nfs/dbraw/zinc/81/26/63/573812663.db2.gz NCPDNIRCCZKALR-NGZCFLSTSA-N 0 3 191.278 1.688 10 0 ADAEHN C[C@H]1CC(=O)N(C(C)(C)C)CCCN1 259199681 573813705 /nfs/dbraw/zinc/81/37/05/573813705.db2.gz BZSJAADAANXOKK-VIFPVBQESA-N 0 3 198.310 1.385 10 0 ADAEHN CN[C@@H](c1ccccc1OC)[C@@H](C)O 259198328 573812814 /nfs/dbraw/zinc/81/28/14/573812814.db2.gz IBJSIIUUNFVENA-LDYMZIIASA-N 0 3 195.262 1.337 10 0 ADAEHN Oc1cccc([C@H]2NCCC[C@@H]2O)c1 257880422 573813095 /nfs/dbraw/zinc/81/30/95/573813095.db2.gz VJZXKTJRMIDEHE-WDEREUQCSA-N 0 3 193.246 1.178 10 0 ADAEHN Oc1cccc([C@@H]2NCCC[C@@H]2O)c1 257880418 573812924 /nfs/dbraw/zinc/81/29/24/573812924.db2.gz VJZXKTJRMIDEHE-QWRGUYRKSA-N 0 3 193.246 1.178 10 0 ADAEHN O=C1CCCN(C2CCCC2)CC1 257879966 573812931 /nfs/dbraw/zinc/81/29/31/573812931.db2.gz LSCGZWCRNTUJPN-UHFFFAOYSA-N 0 3 181.279 1.984 10 0 ADAEHN CO[C@H](N)c1c[nH]c2ccccc12 259198634 573813720 /nfs/dbraw/zinc/81/37/20/573813720.db2.gz DHRMHJYSQCWEHR-JTQLQIEISA-N 0 3 176.219 1.772 10 0 ADAEHN CNCc1c(Cl)c(C)nn1C 84270260 573813153 /nfs/dbraw/zinc/81/31/53/573813153.db2.gz NPZZKWMJYSNEIN-UHFFFAOYSA-N 0 3 173.647 1.101 10 0 ADAEHN CC[C@@H](C)Cn1ncc(C)c1CN 393591242 573813214 /nfs/dbraw/zinc/81/32/14/573813214.db2.gz QPPYFGZCNOURTI-MRVPVSSYSA-N 0 3 181.283 1.696 10 0 ADAEHN C[C@@H](N)[C@@](C)(F)c1cccc(O)c1 257880000 573813265 /nfs/dbraw/zinc/81/32/65/573813265.db2.gz LTOJLYTYAHXWNY-GMSGAONNSA-N 0 3 183.226 1.924 10 0 ADAEHN NC(=[NH2+])c1cnc2c([O-])cccc2c1 84297104 573813335 /nfs/dbraw/zinc/81/33/35/573813335.db2.gz UCEJRTPRPKCAJZ-UHFFFAOYSA-N 0 3 187.202 1.224 10 0 ADAEHN C[NH2+]CCc1c([O-])cc(F)cc1OC 258141571 573813336 /nfs/dbraw/zinc/81/33/36/573813336.db2.gz NWWQXMIVJWOZTP-UHFFFAOYSA-N 0 3 199.225 1.302 10 0 ADAEHN CN[C@@H](CN1CCC1)c1cc(C)co1 716198650 573813389 /nfs/dbraw/zinc/81/33/89/573813389.db2.gz HDGCLDYBGBFKHJ-JTQLQIEISA-N 0 3 194.278 1.554 10 0 ADAEHN CN[C@H](CCC(=O)OC)c1ccc[nH]1 259198142 573813411 /nfs/dbraw/zinc/81/34/11/573813411.db2.gz FFDKVRAXRCJNBY-MRVPVSSYSA-N 0 3 196.250 1.228 10 0 ADAEHN C[C@H](N)[C@](C)(F)c1cccc(O)c1 257880003 573813503 /nfs/dbraw/zinc/81/35/03/573813503.db2.gz LTOJLYTYAHXWNY-XVKPBYJWSA-N 0 3 183.226 1.924 10 0 ADAEHN Cc1nc([C@H]2CCSC2)[nH]c1CN 258139863 573813507 /nfs/dbraw/zinc/81/35/07/573813507.db2.gz QYHPCAMQLWQUGZ-ZETCQYMHSA-N 0 3 197.307 1.397 10 0 ADAEHN Cc1nc2c(s1)C1(CC1)NCC2 238522999 573813531 /nfs/dbraw/zinc/81/35/31/573813531.db2.gz BDCABMJROYOZMQ-UHFFFAOYSA-N 0 3 180.276 1.586 10 0 ADAEHN CC(C)Cc1cc(C2(N)CC2)[nH]n1 257881052 573817115 /nfs/dbraw/zinc/81/71/15/573817115.db2.gz LXMDMNPHICYJHT-UHFFFAOYSA-N 0 3 179.267 1.556 10 0 ADAEHN C[C@]1(c2ccc(O)cc2)NCC[C@@H]1F 258147156 573817439 /nfs/dbraw/zinc/81/74/39/573817439.db2.gz RQAYEKMPTMMGEO-WDEREUQCSA-N 0 3 195.237 1.939 10 0 ADAEHN Oc1cccc([C@@H]2NCCC[C@H]2O)c1 257880414 573814500 /nfs/dbraw/zinc/81/45/00/573814500.db2.gz VJZXKTJRMIDEHE-MNOVXSKESA-N 0 3 193.246 1.178 10 0 ADAEHN CC[C@H](C)Cn1ncc(C)c1CN 393591243 573814525 /nfs/dbraw/zinc/81/45/25/573814525.db2.gz QPPYFGZCNOURTI-QMMMGPOBSA-N 0 3 181.283 1.696 10 0 ADAEHN C[C@@H]1CC(=O)N(C(C)(C)C)CCCN1 259199678 573814594 /nfs/dbraw/zinc/81/45/94/573814594.db2.gz BZSJAADAANXOKK-SECBINFHSA-N 0 3 198.310 1.385 10 0 ADAEHN C[C@@H](CO)S[C@@H]1CCCN(C)C1 258962773 573814629 /nfs/dbraw/zinc/81/46/29/573814629.db2.gz CEIFETFPEOBRAU-DTWKUNHWSA-N 0 3 189.324 1.195 10 0 ADAEHN CCCc1ccnc([C@@H]2CCCN2)n1 259198896 573814672 /nfs/dbraw/zinc/81/46/72/573814672.db2.gz WHXRIGVSCQUUDB-JTQLQIEISA-N 0 3 191.278 1.854 10 0 ADAEHN CCn1nc(C)c(Cl)c1CNC 84278251 573814713 /nfs/dbraw/zinc/81/47/13/573814713.db2.gz YNFXEOBOFSOUTC-UHFFFAOYSA-N 0 3 187.674 1.584 10 0 ADAEHN C[C@@H](CO)S[C@H]1CCCN(C)C1 258962774 573814725 /nfs/dbraw/zinc/81/47/25/573814725.db2.gz CEIFETFPEOBRAU-IUCAKERBSA-N 0 3 189.324 1.195 10 0 ADAEHN C=Cc1ccccc1[C@@H]1CNCCN1 238132604 573814736 /nfs/dbraw/zinc/81/47/36/573814736.db2.gz UDEKDOPLGCNSDY-LBPRGKRZSA-N 0 3 188.274 1.564 10 0 ADAEHN C[C@H](CO)NC/C=C/c1ccncc1 308743783 573814756 /nfs/dbraw/zinc/81/47/56/573814756.db2.gz QDYUGWSSFNBRKH-VMZHVLLKSA-N 0 3 192.262 1.065 10 0 ADAEHN C[C@]1(c2ccc(O)cc2)C[C@H](F)CN1 258139953 573814779 /nfs/dbraw/zinc/81/47/79/573814779.db2.gz QYMBRWQYLAWDDF-GXSJLCMTSA-N 0 3 195.237 1.939 10 0 ADAEHN C[C@@H](N)c1ccc(F)c2c1OCO2 258140977 573814875 /nfs/dbraw/zinc/81/48/75/573814875.db2.gz SNRSLVFSNSLKBR-RXMQYKEDSA-N 0 3 183.182 1.574 10 0 ADAEHN CCC(CC)=C1CNC1 87177883 573814876 /nfs/dbraw/zinc/81/48/76/573814876.db2.gz BGPDGLCJTPWLDH-UHFFFAOYSA-N 0 3 125.215 1.706 10 0 ADAEHN CC(C)(C)c1ncc(F)cc1CN 238132578 573814965 /nfs/dbraw/zinc/81/49/65/573814965.db2.gz ALKNTHGHLSRISR-UHFFFAOYSA-N 0 3 182.242 1.977 10 0 ADAEHN CC(C)(C)C(N)(C(N)=O)C(C)(C)C 238135431 573818520 /nfs/dbraw/zinc/81/85/20/573818520.db2.gz JCANOVRHYVEUQW-UHFFFAOYSA-N 0 3 186.299 1.261 10 0 ADAEHN C[C@H]1OCC[C@]1(C)NCc1ccc[nH]1 235653397 573815076 /nfs/dbraw/zinc/81/50/76/573815076.db2.gz FXMMKUDCNFVGJD-KOLCDFICSA-N 0 3 194.278 1.672 10 0 ADAEHN CC(C)(N)c1cc(F)c(F)cc1C=O 258141736 573815096 /nfs/dbraw/zinc/81/50/96/573815096.db2.gz NZVNOFMOJISAAZ-UHFFFAOYSA-N 0 3 199.200 1.971 10 0 ADAEHN C[C@H](CO)NC/C=C\c1ccncc1 308743781 573815185 /nfs/dbraw/zinc/81/51/85/573815185.db2.gz QDYUGWSSFNBRKH-MXQLGCADSA-N 0 3 192.262 1.065 10 0 ADAEHN CCC(CC)[C@H](NC1CC1)C(N)=O 41049753 573815211 /nfs/dbraw/zinc/81/52/11/573815211.db2.gz REJHNMNIDRPIHH-VIFPVBQESA-N 0 3 184.283 1.029 10 0 ADAEHN CCN1CC[C@@H](c2oncc2N)C1 258434661 573815399 /nfs/dbraw/zinc/81/53/99/573815399.db2.gz GAMLIVBBDZMYEY-SSDOTTSWSA-N 0 3 181.239 1.066 10 0 ADAEHN CN(Cc1cc(N)n[nH]1)C(C)(C)C 259198336 573815446 /nfs/dbraw/zinc/81/54/46/573815446.db2.gz KGLOPLMKAFTHDW-UHFFFAOYSA-N 0 3 182.271 1.222 10 0 ADAEHN CCc1nn(C)c(CNC)c1Cl 84280738 573815457 /nfs/dbraw/zinc/81/54/57/573815457.db2.gz HTMNIEVNMNVPSK-UHFFFAOYSA-N 0 3 187.674 1.355 10 0 ADAEHN Cc1nc([C@@H]2CCSC2)[nH]c1CN 258139861 573815475 /nfs/dbraw/zinc/81/54/75/573815475.db2.gz QYHPCAMQLWQUGZ-SSDOTTSWSA-N 0 3 197.307 1.397 10 0 ADAEHN CCN[C@@H](CCOC)c1cnn(C)c1 43462375 573815492 /nfs/dbraw/zinc/81/54/92/573815492.db2.gz SVZVAOHGGDFRHV-JTQLQIEISA-N 0 3 197.282 1.107 10 0 ADAEHN Cc1cc([C@@H](N)CC(C)C)nn1C 642820442 573815531 /nfs/dbraw/zinc/81/55/31/573815531.db2.gz CVPMDRLSAKIIQM-VIFPVBQESA-N 0 3 181.283 1.196 10 0 ADAEHN N[C@@H]1C[C@]1(c1ccccc1O)C1CC1 257880364 573815544 /nfs/dbraw/zinc/81/55/44/573815544.db2.gz VJGXHUNLZIZUGG-VXGBXAGGSA-N 0 3 189.258 1.771 10 0 ADAEHN Nc1c[nH]c(NC2CCCC2)n1 257881144 573815658 /nfs/dbraw/zinc/81/56/58/573815658.db2.gz KCOXYXSKPQRXDG-UHFFFAOYSA-N 0 3 166.228 1.346 10 0 ADAEHN Cn1cc2ccc(CN)c(Cl)c2n1 259571797 573815712 /nfs/dbraw/zinc/81/57/12/573815712.db2.gz WMOWTQQPWXSJFS-UHFFFAOYSA-N 0 3 195.653 1.685 10 0 ADAEHN [NH3+]C1(Cc2c(F)ccc([O-])c2F)CC1 258141569 573815718 /nfs/dbraw/zinc/81/57/18/573815718.db2.gz NWSVYNTUAHIEGD-UHFFFAOYSA-N 0 3 199.200 1.704 10 0 ADAEHN C[C@H](CO)S[C@H]1CCCN(C)C1 258962772 573815765 /nfs/dbraw/zinc/81/57/65/573815765.db2.gz CEIFETFPEOBRAU-BDAKNGLRSA-N 0 3 189.324 1.195 10 0 ADAEHN Cc1cc(F)c(C(F)F)c(CN)n1 238522755 573815796 /nfs/dbraw/zinc/81/57/96/573815796.db2.gz UKVBKXYHOIUGOL-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN C[C@@H]1SCCC[C@H]1NC1COC1 87194916 573815806 /nfs/dbraw/zinc/81/58/06/573815806.db2.gz UCZRKRFRWNZMNM-IONNQARKSA-N 0 3 187.308 1.259 10 0 ADAEHN CCCN[C@@H](COC)c1cnn(C)c1 43462406 573815812 /nfs/dbraw/zinc/81/58/12/573815812.db2.gz FGMHLDODXUXYDW-JTQLQIEISA-N 0 3 197.282 1.107 10 0 ADAEHN CN[C@@H](CCC(=O)OC)c1ccc[nH]1 259198146 573815825 /nfs/dbraw/zinc/81/58/25/573815825.db2.gz FFDKVRAXRCJNBY-QMMMGPOBSA-N 0 3 196.250 1.228 10 0 ADAEHN CCCN[C@H](COC)c1cnn(C)c1 43462408 573815844 /nfs/dbraw/zinc/81/58/44/573815844.db2.gz FGMHLDODXUXYDW-SNVBAGLBSA-N 0 3 197.282 1.107 10 0 ADAEHN CCNC(=[NH2+])c1ccc([O-])c(OC)c1 108976964 573815889 /nfs/dbraw/zinc/81/58/89/573815889.db2.gz WVRBRYXDJGJQAB-UHFFFAOYSA-N 0 3 194.234 1.336 10 0 ADAEHN COc1ccn2c([C@H](C)N)ncc2c1 258434934 573815890 /nfs/dbraw/zinc/81/58/90/573815890.db2.gz DTLVVMOUSWPRNL-ZETCQYMHSA-N 0 3 191.234 1.363 10 0 ADAEHN C[C@@H](CO)NC/C=C/c1ccncc1 308743782 573815907 /nfs/dbraw/zinc/81/59/07/573815907.db2.gz QDYUGWSSFNBRKH-PBKGFPTLSA-N 0 3 192.262 1.065 10 0 ADAEHN Oc1cccc([C@H]2NCCC[C@H]2O)c1 257880411 573815925 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CC[C@H](CO)[C@@H](N)c1ccccn1 259203016 573821588 /nfs/dbraw/zinc/82/15/88/573821588.db2.gz DOFSJDWOQURESG-PSASIEDQSA-N 0 3 180.251 1.100 10 0 ADAEHN C[C@]1(c2ccc(O)cc2)NCC[C@H]1F 258147140 573821635 /nfs/dbraw/zinc/82/16/35/573821635.db2.gz RQAYEKMPTMMGEO-GHMZBOCLSA-N 0 3 195.237 1.939 10 0 ADAEHN C=Cc1ccc([C@H]2CNCCN2)cc1 238135317 573821687 /nfs/dbraw/zinc/82/16/87/573821687.db2.gz ASEHGMXLWLDTKM-GFCCVEGCSA-N 0 3 188.274 1.564 10 0 ADAEHN Cc1nc(CN)c(C(F)F)cc1N 238524456 573821785 /nfs/dbraw/zinc/82/17/85/573821785.db2.gz JNYQWQSXRSNQBD-UHFFFAOYSA-N 0 3 187.193 1.369 10 0 ADAEHN Cc1cc(CN)c2c(c1)OCO2 238524357 573822067 /nfs/dbraw/zinc/82/20/67/573822067.db2.gz WDIOBFZUECBJQB-UHFFFAOYSA-N 0 3 165.192 1.182 10 0 ADAEHN CO[C@H]1C[C@@H](NCc2ccco2)C1 308447021 573821920 /nfs/dbraw/zinc/82/19/20/573821920.db2.gz BTSZJCHDZNKMNR-WAAGHKOSSA-N 0 3 181.235 1.547 10 0 ADAEHN C[C@@H](N)c1ccnn1C1CSC1 257883273 573822040 /nfs/dbraw/zinc/82/20/40/573822040.db2.gz MHCGGXOUVITFQH-ZCFIWIBFSA-N 0 3 183.280 1.191 10 0 ADAEHN C[C@@H](COC1CNC1)CC(F)F 688750522 573822226 /nfs/dbraw/zinc/82/22/26/573822226.db2.gz YQPYOUXPTVMMNZ-ZCFIWIBFSA-N 0 3 179.210 1.266 10 0 ADAEHN Cc1ccc(C[C@@H]2N[C@H](C)CO2)cc1 258435732 573822270 /nfs/dbraw/zinc/82/22/70/573822270.db2.gz JQMIMHJJELGVRL-ZYHUDNBSSA-N 0 3 191.274 1.872 10 0 ADAEHN C[C@H](N)c1ccnn1C1CSC1 257883272 573822281 /nfs/dbraw/zinc/82/22/81/573822281.db2.gz MHCGGXOUVITFQH-LURJTMIESA-N 0 3 183.280 1.191 10 0 ADAEHN Cc1nc(CN)cc(C(F)F)c1F 238525081 573824289 /nfs/dbraw/zinc/82/42/89/573824289.db2.gz OOGAKFQIQWICMD-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN Cc1nc(C[NH3+])cc(C(F)F)c1[O-] 238525142 573824326 /nfs/dbraw/zinc/82/43/26/573824326.db2.gz WDBOOQMWOUWVBN-UHFFFAOYSA-N 0 3 188.177 1.492 10 0 ADAEHN CC(C)C[C@@H](N)c1nnc(C(C)C)[nH]1 41058546 573824178 /nfs/dbraw/zinc/82/41/78/573824178.db2.gz CMGBUUUXCMKWDT-MRVPVSSYSA-N 0 3 196.298 1.974 10 0 ADAEHN CC(C)C[C@@H](N)c1n[nH]c(C(C)C)n1 41058546 573824185 /nfs/dbraw/zinc/82/41/85/573824185.db2.gz CMGBUUUXCMKWDT-MRVPVSSYSA-N 0 3 196.298 1.974 10 0 ADAEHN CN1CC[C@H](O)[C@H]1c1cccc(N)c1 257884685 573824194 /nfs/dbraw/zinc/82/41/94/573824194.db2.gz WBHYMOUVNPXJMQ-WDEREUQCSA-N 0 3 192.262 1.006 10 0 ADAEHN Cn1ccnc1C(=N)NC(C)(C)C 122779152 573823992 /nfs/dbraw/zinc/82/39/92/573823992.db2.gz WDPRVGJFTAYIMF-UHFFFAOYSA-N 0 3 180.255 1.134 10 0 ADAEHN C[C@@H](N)c1cc(C2CCC2)n(C)n1 257884873 573824066 /nfs/dbraw/zinc/82/40/66/573824066.db2.gz MLRULOYPDUCDMJ-SSDOTTSWSA-N 0 3 179.267 1.707 10 0 ADAEHN C[C@@](F)(c1ccccc1O)[C@@H]1CCN1 257884563 573824147 /nfs/dbraw/zinc/82/41/47/573824147.db2.gz VZLYPENNZGNWNM-WDEREUQCSA-N 0 3 195.237 1.939 10 0 ADAEHN CCC[C@H](C)CNCc1cnn(C)n1 308751948 573824294 /nfs/dbraw/zinc/82/42/94/573824294.db2.gz UVXYSAOSKBPXPA-VIFPVBQESA-N 0 3 196.298 1.341 10 0 ADAEHN CN1CC[C@@H](O)[C@H]1c1cccc(N)c1 257884674 573824295 /nfs/dbraw/zinc/82/42/95/573824295.db2.gz WBHYMOUVNPXJMQ-GHMZBOCLSA-N 0 3 192.262 1.006 10 0 ADAEHN C[C@](F)(c1ccccc1O)[C@H]1CCN1 257884558 573825237 /nfs/dbraw/zinc/82/52/37/573825237.db2.gz VZLYPENNZGNWNM-MNOVXSKESA-N 0 3 195.237 1.939 10 0 ADAEHN CCCC[C@H](N)c1nnc(CCC)[nH]1 41058681 573825190 /nfs/dbraw/zinc/82/51/90/573825190.db2.gz INVKDBYTBCNYBG-QMMMGPOBSA-N 0 3 196.298 1.947 10 0 ADAEHN CCn1nc([C@H](C)NC)cc1C 258431409 573825145 /nfs/dbraw/zinc/82/51/45/573825145.db2.gz CXSYALQKKKTMDI-QMMMGPOBSA-N 0 3 167.256 1.492 10 0 ADAEHN CCCC[C@H]([NH3+])c1nnc(CCC)[n-]1 41058681 573825198 /nfs/dbraw/zinc/82/51/98/573825198.db2.gz INVKDBYTBCNYBG-QMMMGPOBSA-N 0 3 196.298 1.947 10 0 ADAEHN CCC[C@@H](C)[C@@H](NC)c1ncnn1C 308447953 573825161 /nfs/dbraw/zinc/82/51/61/573825161.db2.gz BHCTVQHAWGNBPG-RKDXNWHRSA-N 0 3 196.298 1.512 10 0 ADAEHN NC[C@]1(F)CCN(c2ccccc2)C1 258148968 573827740 /nfs/dbraw/zinc/82/77/40/573827740.db2.gz RUNIYYWKBUYTQR-LLVKDONJSA-N 0 3 194.253 1.564 10 0 ADAEHN C[C@](F)(c1ccccc1O)[C@@H]1CCN1 257884561 573827742 /nfs/dbraw/zinc/82/77/42/573827742.db2.gz VZLYPENNZGNWNM-QWRGUYRKSA-N 0 3 195.237 1.939 10 0 ADAEHN CCCc1nnc(CNCC2CC2)[nH]1 41058584 573827791 /nfs/dbraw/zinc/82/77/91/573827791.db2.gz FLXVVCFOOQZGDS-UHFFFAOYSA-N 0 3 194.282 1.257 10 0 ADAEHN CCCc1nnc(C[NH2+]CC2CC2)[n-]1 41058584 573827793 /nfs/dbraw/zinc/82/77/93/573827793.db2.gz FLXVVCFOOQZGDS-UHFFFAOYSA-N 0 3 194.282 1.257 10 0 ADAEHN C[C@@H](N)c1ccnn1C1CCOCC1 257884470 573827875 /nfs/dbraw/zinc/82/78/75/573827875.db2.gz VYQAESKVKXFTIW-MRVPVSSYSA-N 0 3 195.266 1.254 10 0 ADAEHN CC(C)C(c1nc(CN)n[nH]1)C(C)C 308445013 573827903 /nfs/dbraw/zinc/82/79/03/573827903.db2.gz ABTVWDIKBDWUBW-UHFFFAOYSA-N 0 3 196.298 1.659 10 0 ADAEHN CC(C)C(c1nnc(C[NH3+])[n-]1)C(C)C 308445013 573827908 /nfs/dbraw/zinc/82/79/08/573827908.db2.gz ABTVWDIKBDWUBW-UHFFFAOYSA-N 0 3 196.298 1.659 10 0 ADAEHN CC(C)C[C@@H](N)c1ncnn1C(C)C 308445951 573827950 /nfs/dbraw/zinc/82/79/50/573827950.db2.gz AKUAKECVTIDWFC-SECBINFHSA-N 0 3 196.298 1.905 10 0 ADAEHN C[C@H](N)c1ccnn1C1CCOCC1 257884473 573828030 /nfs/dbraw/zinc/82/80/30/573828030.db2.gz VYQAESKVKXFTIW-QMMMGPOBSA-N 0 3 195.266 1.254 10 0 ADAEHN CCCNCc1cc(C2CC2)n[nH]1 41058931 573828161 /nfs/dbraw/zinc/82/81/61/573828161.db2.gz XOEDLWVCQVUMBP-UHFFFAOYSA-N 0 3 179.267 1.787 10 0 ADAEHN NCc1cnoc1C[C@H]1CCCCO1 259205407 573828207 /nfs/dbraw/zinc/82/82/07/573828207.db2.gz KZJBCAHVPKJVCW-SECBINFHSA-N 0 3 196.250 1.245 10 0 ADAEHN CC(C)NCc1cc(C2CC2)n[nH]1 41058932 573828299 /nfs/dbraw/zinc/82/82/99/573828299.db2.gz HUDPSYDFUZEQET-UHFFFAOYSA-N 0 3 179.267 1.785 10 0 ADAEHN Cc1cccc(F)c1[C@@](C)(N)CCO 238527083 573828408 /nfs/dbraw/zinc/82/84/08/573828408.db2.gz WUOXBDAUDUMSPT-NSHDSACASA-N 0 3 197.253 1.690 10 0 ADAEHN C[C@H]1C[C@@]1(N)c1ccco1 84327414 573828456 /nfs/dbraw/zinc/82/84/56/573828456.db2.gz MKJVKTREYNILJA-XPUUQOCRSA-N 0 3 137.182 1.473 10 0 ADAEHN CC(C)C[C@H](N)c1nnc(C(C)C)[nH]1 41058545 573828522 /nfs/dbraw/zinc/82/85/22/573828522.db2.gz CMGBUUUXCMKWDT-QMMMGPOBSA-N 0 3 196.298 1.974 10 0 ADAEHN CC(C)C[C@H](N)c1n[nH]c(C(C)C)n1 41058545 573828526 /nfs/dbraw/zinc/82/85/26/573828526.db2.gz CMGBUUUXCMKWDT-QMMMGPOBSA-N 0 3 196.298 1.974 10 0 ADAEHN C[C@H]1C[C@@]1(N)c1cccs1 84328605 573828652 /nfs/dbraw/zinc/82/86/52/573828652.db2.gz HLHXUUPMRHGXGO-XPUUQOCRSA-N 0 3 153.250 1.942 10 0 ADAEHN Cc1ccc([C@@H]2CC(CN)=NO2)cc1 257885305 573828724 /nfs/dbraw/zinc/82/87/24/573828724.db2.gz WDHFCQXOKKYUSN-NSHDSACASA-N 0 3 190.246 1.771 10 0 ADAEHN Cc1cccc(F)c1[C@](C)(N)CCO 238527214 573828790 /nfs/dbraw/zinc/82/87/90/573828790.db2.gz WUOXBDAUDUMSPT-LLVKDONJSA-N 0 3 197.253 1.690 10 0 ADAEHN Cc1c[nH]c(CNC2CCC2)n1 257886393 573828824 /nfs/dbraw/zinc/82/88/24/573828824.db2.gz LIBWVTAPNXTBBJ-UHFFFAOYSA-N 0 3 165.240 1.360 10 0 ADAEHN CC(=O)C[C@H](N)c1ccccn1 259204804 573828902 /nfs/dbraw/zinc/82/89/02/573828902.db2.gz DPDJNWUUGJKUTR-QMMMGPOBSA-N 0 3 164.208 1.061 10 0 ADAEHN c1c(C2CC2)n[nH]c1CNCC1CC1 41058944 573828920 /nfs/dbraw/zinc/82/89/20/573828920.db2.gz WIVAVUNFYNADJS-UHFFFAOYSA-N 0 3 191.278 1.787 10 0 ADAEHN COCc1cccc(/C=C/C[NH3+])c1[O-] 258143060 573828934 /nfs/dbraw/zinc/82/89/34/573828934.db2.gz SSZGIENWNZCUPT-ZZXKWVIFSA-N 0 3 193.246 1.511 10 0 ADAEHN N[C@H](c1cscn1)C1CC1 84328755 573828940 /nfs/dbraw/zinc/82/89/40/573828940.db2.gz VHKXVNLIGYZYRT-ZETCQYMHSA-N 0 3 154.238 1.553 10 0 ADAEHN N[C@@H](c1cscn1)C1CC1 84328753 573828984 /nfs/dbraw/zinc/82/89/84/573828984.db2.gz VHKXVNLIGYZYRT-SSDOTTSWSA-N 0 3 154.238 1.553 10 0 ADAEHN C[C@H](C(N)=S)N(C)Cc1ccco1 43514046 573828987 /nfs/dbraw/zinc/82/89/87/573828987.db2.gz UVYFQJXKYNYWHL-SSDOTTSWSA-N 0 3 198.291 1.386 10 0 ADAEHN C[C@](F)(CN)COc1ccccc1 257886207 573829285 /nfs/dbraw/zinc/82/92/85/573829285.db2.gz MOVHKZCKRLXNCL-JTQLQIEISA-N 0 3 183.226 1.752 10 0 ADAEHN CN[C@@H](c1cc(C)n(C)n1)C1CC1 84335056 573836237 /nfs/dbraw/zinc/83/62/37/573836237.db2.gz YXIZBPRSDPIXHG-SNVBAGLBSA-N 0 3 179.267 1.399 10 0 ADAEHN CCCNc1nc2cc(N)ccc2[nH]1 87225279 573833278 /nfs/dbraw/zinc/83/32/78/573833278.db2.gz PFILRZVENRJITE-UHFFFAOYSA-N 0 3 190.250 1.967 10 0 ADAEHN N[C@@H]1CCn2c1nc1cccc(O)c12 259622981 573833375 /nfs/dbraw/zinc/83/33/75/573833375.db2.gz FJLYCVOQUGUIDB-ZCFIWIBFSA-N 0 3 189.218 1.145 10 0 ADAEHN CCCNc1nc2ccc(N)cc2[nH]1 87225279 573833283 /nfs/dbraw/zinc/83/32/83/573833283.db2.gz PFILRZVENRJITE-UHFFFAOYSA-N 0 3 190.250 1.967 10 0 ADAEHN Cc1cc(F)cc2[nH]c(CN)nc12 238531865 573832678 /nfs/dbraw/zinc/83/26/78/573832678.db2.gz DSKVNHDXXBZQIJ-UHFFFAOYSA-N 0 3 179.198 1.469 10 0 ADAEHN C[C@@H]1C[C@]1(N)c1ccccn1 84328060 573832710 /nfs/dbraw/zinc/83/27/10/573832710.db2.gz FHJYIOFMSHQHPA-VXNVDRBHSA-N 0 3 148.209 1.275 10 0 ADAEHN CCCc1cc(CNC)nn1CC 257886314 573832772 /nfs/dbraw/zinc/83/27/72/573832772.db2.gz MRZRMWZLHOKVJK-UHFFFAOYSA-N 0 3 181.283 1.575 10 0 ADAEHN FCOc1ccc2c(c1)CNCC2 258151365 573832807 /nfs/dbraw/zinc/83/28/07/573832807.db2.gz WDVVCMDYPCNTKJ-UHFFFAOYSA-N 0 3 181.210 1.638 10 0 ADAEHN Cc1ccc2cnc(C(C)(C)N)n2c1 257885299 573832906 /nfs/dbraw/zinc/83/29/06/573832906.db2.gz WDBANPCGISZEPA-UHFFFAOYSA-N 0 3 189.262 1.837 10 0 ADAEHN CC[C@@H](CO)[C@@H](NC)c1cccnc1 259205989 573832942 /nfs/dbraw/zinc/83/29/42/573832942.db2.gz LGOUSYMOVKXMTA-GXSJLCMTSA-N 0 3 194.278 1.361 10 0 ADAEHN CCNc1nc2cc(N)ccc2[nH]1 87225295 573833056 /nfs/dbraw/zinc/83/30/56/573833056.db2.gz FGHNIKIKQYNHOZ-UHFFFAOYSA-N 0 3 176.223 1.577 10 0 ADAEHN CC(C)N[C@@H](O)c1ccncc1 238146366 573833157 /nfs/dbraw/zinc/83/31/57/573833157.db2.gz GWBVRRLEXPIYKG-VIFPVBQESA-N 0 3 166.224 1.071 10 0 ADAEHN CC[C@H]1C[C@@]1(N)c1ccnc(C)n1 125222509 573833162 /nfs/dbraw/zinc/83/31/62/573833162.db2.gz BRVPWKFKVGJRBC-WPRPVWTQSA-N 0 3 177.251 1.369 10 0 ADAEHN CCn1ncc(C2(N)CC2)c1C1CC1 257885277 573833177 /nfs/dbraw/zinc/83/31/77/573833177.db2.gz WCTZVVAERQZZBX-UHFFFAOYSA-N 0 3 191.278 1.728 10 0 ADAEHN CC[C@@H]1C[C@]1(N)c1ccnc(C)n1 125221924 573833390 /nfs/dbraw/zinc/83/33/90/573833390.db2.gz BRVPWKFKVGJRBC-PSASIEDQSA-N 0 3 177.251 1.369 10 0 ADAEHN C/C=C\COCc1cccc(CN)n1 308451175 573833434 /nfs/dbraw/zinc/83/34/34/573833434.db2.gz RVONXTKBUQBKSK-IHWYPQMZSA-N 0 3 192.262 1.633 10 0 ADAEHN CC[C@H]1C[C@]1(N)c1ccnc(C)n1 125222073 573833440 /nfs/dbraw/zinc/83/34/40/573833440.db2.gz BRVPWKFKVGJRBC-WCBMZHEXSA-N 0 3 177.251 1.369 10 0 ADAEHN Cc1ccc([C@H]2CC(CN)=NO2)cc1 257885302 573833573 /nfs/dbraw/zinc/83/35/73/573833573.db2.gz WDHFCQXOKKYUSN-LLVKDONJSA-N 0 3 190.246 1.771 10 0 ADAEHN NCc1cncc(C2CCC2)c1 258432166 573833601 /nfs/dbraw/zinc/83/36/01/573833601.db2.gz DBXZBRARWSQWGF-UHFFFAOYSA-N 0 3 162.236 1.808 10 0 ADAEHN CN[C@@H](c1cncs1)C1CC1 84331499 573833694 /nfs/dbraw/zinc/83/36/94/573833694.db2.gz GAEFXIUKVWFZAV-MRVPVSSYSA-N 0 3 168.265 1.814 10 0 ADAEHN Fc1cccc(C[C@H]2CNCO2)c1 238532128 573833861 /nfs/dbraw/zinc/83/38/61/573833861.db2.gz TWETZGRHPKSSBN-JTQLQIEISA-N 0 3 181.210 1.314 10 0 ADAEHN C[C@@]1([C@H](N)c2cncnc2)CCCO1 87227647 573833863 /nfs/dbraw/zinc/83/38/63/573833863.db2.gz DWRHMCRXUWBLSS-ZJUUUORDSA-N 0 3 193.250 1.046 10 0 ADAEHN CN1CCC[C@](O)(c2ccco2)C1 84336086 573834428 /nfs/dbraw/zinc/83/44/28/573834428.db2.gz OOYNDUUUEOZJMS-SNVBAGLBSA-N 0 3 181.235 1.193 10 0 ADAEHN Cn1c(CN)cnc1C1CCC1 238532166 573833910 /nfs/dbraw/zinc/83/39/10/573833910.db2.gz RZWFWVRFESVQCS-UHFFFAOYSA-N 0 3 165.240 1.146 10 0 ADAEHN CC[C@@H](CO)[C@H](NC)c1cccnc1 259206015 573833969 /nfs/dbraw/zinc/83/39/69/573833969.db2.gz LGOUSYMOVKXMTA-ONGXEEELSA-N 0 3 194.278 1.361 10 0 ADAEHN CC(C)N[C@H](O)c1ccncc1 238155689 573833998 /nfs/dbraw/zinc/83/39/98/573833998.db2.gz GWBVRRLEXPIYKG-SECBINFHSA-N 0 3 166.224 1.071 10 0 ADAEHN Cc1cc(F)cc2nc(N)[nH]c12 238531914 573834011 /nfs/dbraw/zinc/83/40/11/573834011.db2.gz SGRXNYQMOFDOMN-UHFFFAOYSA-N 0 3 165.171 1.593 10 0 ADAEHN CCCCCC[C@H](N)c1cn(C)nn1 308448732 573834092 /nfs/dbraw/zinc/83/40/92/573834092.db2.gz BOLWTVQXBNCZFK-VIFPVBQESA-N 0 3 196.298 1.785 10 0 ADAEHN Cc1ncc([C@H](N)C2CC2)s1 84331507 573834105 /nfs/dbraw/zinc/83/41/05/573834105.db2.gz VLLSYLOHHKXYAH-MRVPVSSYSA-N 0 3 168.265 1.861 10 0 ADAEHN CC[C@H](CO)[C@@H](NC)c1cccnc1 259206011 573834198 /nfs/dbraw/zinc/83/41/98/573834198.db2.gz LGOUSYMOVKXMTA-MWLCHTKSSA-N 0 3 194.278 1.361 10 0 ADAEHN Cc1ccc(CC2(N)COC2)cc1 84333587 573834281 /nfs/dbraw/zinc/83/42/81/573834281.db2.gz XLRODVFOBOGUSJ-UHFFFAOYSA-N 0 3 177.247 1.265 10 0 ADAEHN CCc1ccc(F)c([C@@H](N)CO)c1 258152973 573834307 /nfs/dbraw/zinc/83/43/07/573834307.db2.gz UHHLOUQDSZLOCG-JTQLQIEISA-N 0 3 183.226 1.380 10 0 ADAEHN C[C@@H](N)c1ccnn1[C@H]1CCCOC1 257886561 573834308 /nfs/dbraw/zinc/83/43/08/573834308.db2.gz WIZQISFETYQQRL-BDAKNGLRSA-N 0 3 195.266 1.254 10 0 ADAEHN CC(C)(C)C1(CN)OCCCO1 87224862 573834333 /nfs/dbraw/zinc/83/43/33/573834333.db2.gz DTXBOFXDONHIJQ-UHFFFAOYSA-N 0 3 173.256 1.124 10 0 ADAEHN NC1(CCc2ccccc2)COC1 84333601 573834339 /nfs/dbraw/zinc/83/43/39/573834339.db2.gz CTRVLMFDPJEDDX-UHFFFAOYSA-N 0 3 177.247 1.347 10 0 ADAEHN CN(c1ccncc1)[C@@H]1COC[C@@H]1F 585296796 573836167 /nfs/dbraw/zinc/83/61/67/573836167.db2.gz KYVBLHMEHJHPOG-VHSXEESVSA-N 0 3 196.225 1.255 10 0 ADAEHN CN(C/C=C\Cl)CC1CC(O)C1 217403140 573836182 /nfs/dbraw/zinc/83/61/82/573836182.db2.gz HTDZRGHVGZMIJQ-IHWYPQMZSA-N 0 3 189.686 1.442 10 0 ADAEHN CCc1ccc(C2(O)CNC2)cc1 84333579 573836191 /nfs/dbraw/zinc/83/61/91/573836191.db2.gz HIMGHVCWZPWZEU-UHFFFAOYSA-N 0 3 177.247 1.040 10 0 ADAEHN CC(C)C[C@H]1CN=C([C@@H]2CCCN2)O1 258153004 573836261 /nfs/dbraw/zinc/83/62/61/573836261.db2.gz LLMZGWPXDSOXTM-UWVGGRQHSA-N 0 3 196.294 1.582 10 0 ADAEHN CCC[C@H]1C[C@]1(N)c1ccnc(C)n1 125223010 573836263 /nfs/dbraw/zinc/83/62/63/573836263.db2.gz FBQIGKRPWALTSU-GXSJLCMTSA-N 0 3 191.278 1.759 10 0 ADAEHN Cc1c(CN)[nH]cc(C(F)F)c1=O 238533046 573836279 /nfs/dbraw/zinc/83/62/79/573836279.db2.gz UVEFIZZFJYTTKP-UHFFFAOYSA-N 0 3 188.177 1.492 10 0 ADAEHN Cc1cc([C@@H](N)C2CCC2)nn1C 84335076 573836434 /nfs/dbraw/zinc/83/64/34/573836434.db2.gz SEOAQUANYODTGG-JTQLQIEISA-N 0 3 179.267 1.528 10 0 ADAEHN Fc1cccc(C[C@@H]2CNCO2)c1 238531783 573836477 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191.234 1.110 10 0 ADAEHN CN[C@@H](c1cc(C)n(C)n1)C1CCC1 84354906 573845059 /nfs/dbraw/zinc/84/50/59/573845059.db2.gz JHCFHKFAEAVCLT-LLVKDONJSA-N 0 3 193.294 1.789 10 0 ADAEHN CC[C@@H]1CCCC[C@@H]1C1(O)CNC1 84351588 573845088 /nfs/dbraw/zinc/84/50/88/573845088.db2.gz CVBWCLGQSHMAFF-ZJUUUORDSA-N 0 3 183.295 1.537 10 0 ADAEHN CCc1ccc(CC2(O)CNC2)cc1 84351489 573845096 /nfs/dbraw/zinc/84/50/96/573845096.db2.gz PLKAOYBFPCOXBR-UHFFFAOYSA-N 0 3 191.274 1.126 10 0 ADAEHN Cc1ccc(CN[C@H]2CC[C@H]2O)s1 585297755 573845204 /nfs/dbraw/zinc/84/52/04/573845204.db2.gz JXESZQMDQRNDJZ-VHSXEESVSA-N 0 3 197.303 1.669 10 0 ADAEHN Cc1ccc(CN[C@@H]2CC[C@@H]2O)s1 585297756 573845234 /nfs/dbraw/zinc/84/52/34/573845234.db2.gz JXESZQMDQRNDJZ-ZJUUUORDSA-N 0 3 197.303 1.669 10 0 ADAEHN Cc1c(CN)[nH]c(C(F)F)cc1=O 238537040 573845290 /nfs/dbraw/zinc/84/52/90/573845290.db2.gz YUFLHWVUCXJKFX-UHFFFAOYSA-N 0 3 188.177 1.492 10 0 ADAEHN C[C@H]1CCC[C@@H](C2(O)CNC2)C1 84351439 573845322 /nfs/dbraw/zinc/84/53/22/573845322.db2.gz 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/nfs/dbraw/zinc/84/87/85/573848785.db2.gz XXZPSCSPPRRQKP-ZJUUUORDSA-N 0 3 181.235 1.201 10 0 ADAEHN Cc1cc(C)cc(CC2(O)CNC2)c1 84351836 573848012 /nfs/dbraw/zinc/84/80/12/573848012.db2.gz KMLITDZTQJKUKB-UHFFFAOYSA-N 0 3 191.274 1.180 10 0 ADAEHN Cc1c(C(F)F)[nH]c(CN)cc1=O 238537720 573848019 /nfs/dbraw/zinc/84/80/19/573848019.db2.gz IFZAZHNHTYEKOQ-UHFFFAOYSA-N 0 3 188.177 1.492 10 0 ADAEHN CC[C@H]1CCC[C@@H](C2(O)CNC2)C1 84351814 573848043 /nfs/dbraw/zinc/84/80/43/573848043.db2.gz UTSYHINOBHFLBO-VHSXEESVSA-N 0 3 183.295 1.537 10 0 ADAEHN C[C@H]1CCC[C@H](C2(O)CNC2)C1 84351432 573848309 /nfs/dbraw/zinc/84/83/09/573848309.db2.gz LVFKKKFBECOSAB-IUCAKERBSA-N 0 3 169.268 1.147 10 0 ADAEHN CC[C@H](CO)[C@H](c1ccc[nH]1)N(C)C 259209846 573848408 /nfs/dbraw/zinc/84/84/08/573848408.db2.gz AEHJCVFRSGUCHH-MWLCHTKSSA-N 0 3 196.294 1.636 10 0 ADAEHN CCc1ccc(CC2(O)CNC2)s1 84351614 573848846 /nfs/dbraw/zinc/84/88/46/573848846.db2.gz XUTUCDRSLUVENL-UHFFFAOYSA-N 0 3 197.303 1.187 10 0 ADAEHN COc1cccc(CN)c1NC(C)=O 258160619 573848875 /nfs/dbraw/zinc/84/88/75/573848875.db2.gz UZTPYXFUZWTJDH-UHFFFAOYSA-N 0 3 194.234 1.112 10 0 ADAEHN OC[C@H]1CNCc2cc(F)ccc21 257888185 573849727 /nfs/dbraw/zinc/84/97/27/573849727.db2.gz MZMUEZOJQKERLA-MRVPVSSYSA-N 0 3 181.210 1.005 10 0 ADAEHN Cc1ccccc1CN[C@H]1CC[C@H]1O 585298159 573849738 /nfs/dbraw/zinc/84/97/38/573849738.db2.gz QVYRYWPXMDYPNF-NWDGAFQWSA-N 0 3 191.274 1.608 10 0 ADAEHN CSc1ccc([C@H](N)CO)cc1C 258163157 573849819 /nfs/dbraw/zinc/84/98/19/573849819.db2.gz VHUIJBCRCHOXAP-SECBINFHSA-N 0 3 197.303 1.709 10 0 ADAEHN Cc1ccccc1CN[C@H]1CC[C@@H]1O 585298160 573849826 /nfs/dbraw/zinc/84/98/26/573849826.db2.gz QVYRYWPXMDYPNF-RYUDHWBXSA-N 0 3 191.274 1.608 10 0 ADAEHN CC(C)C[C@@H]1COC([C@@H]2CCCN2)=N1 258162261 573849843 /nfs/dbraw/zinc/84/98/43/573849843.db2.gz LUMKTDVRCJJLNE-ZJUUUORDSA-N 0 3 196.294 1.582 10 0 ADAEHN CC(C)C[C@@H]1COC([C@H]2CCCN2)=N1 258162256 573850063 /nfs/dbraw/zinc/85/00/63/573850063.db2.gz 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573853886 /nfs/dbraw/zinc/85/38/86/573853886.db2.gz XYLCDNHEAZVYSW-UHFFFAOYSA-N 0 3 183.295 1.776 10 0 ADAEHN CC(C)C[C@H]1COC([C@H]2CCCN2)=N1 258162260 573853956 /nfs/dbraw/zinc/85/39/56/573853956.db2.gz LUMKTDVRCJJLNE-VHSXEESVSA-N 0 3 196.294 1.582 10 0 ADAEHN CC(C)[C@H](N)c1[nH]ccc1F 238167124 573854030 /nfs/dbraw/zinc/85/40/30/573854030.db2.gz IMVMRJMOFDXDCJ-ZETCQYMHSA-N 0 3 156.204 1.810 10 0 ADAEHN COc1ccc(C2(N)CC2)c(F)c1O 258163078 573854042 /nfs/dbraw/zinc/85/40/42/573854042.db2.gz VEYAAJYCOCIUTI-UHFFFAOYSA-N 0 3 197.209 1.488 10 0 ADAEHN NC[C@]1(c2ccccc2Cl)CCO1 258437227 573854155 /nfs/dbraw/zinc/85/41/55/573854155.db2.gz DXLMVEFTSLAYOV-JTQLQIEISA-N 0 3 197.665 1.914 10 0 ADAEHN CN1CCC[C@](O)(Cc2ccoc2)C1 84357294 573854211 /nfs/dbraw/zinc/85/42/11/573854211.db2.gz KRZRUAASRFKEFO-NSHDSACASA-N 0 3 195.262 1.279 10 0 ADAEHN CN[C@@H](c1ccc[nH]1)C1(OC)CCC1 308453961 573854217 /nfs/dbraw/zinc/85/42/17/573854217.db2.gz DDPJWZIYDIOOHC-JTQLQIEISA-N 0 3 194.278 1.844 10 0 ADAEHN 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185.267 1.422 10 0 ADAEHN O[C@H]1CC[C@H]1N1Cc2ccccc2C1 585298884 573855380 /nfs/dbraw/zinc/85/53/80/573855380.db2.gz PYRPTGVBIKJLEF-NEPJUHHUSA-N 0 3 189.258 1.526 10 0 ADAEHN Cc1cccc2cnc(CCO)n12 257889357 573855393 /nfs/dbraw/zinc/85/53/93/573855393.db2.gz NEDVQGUFLSXGMZ-UHFFFAOYSA-N 0 3 176.219 1.178 10 0 ADAEHN CC(C)(C)[C@H](N)c1cc(N)ccn1 238172734 573855635 /nfs/dbraw/zinc/85/56/35/573855635.db2.gz DHGVZQBQHBYKHU-SECBINFHSA-N 0 3 179.267 1.710 10 0 ADAEHN Cn1nc(CC2CC2)c2c1CNCC2 238542154 573855661 /nfs/dbraw/zinc/85/56/61/573855661.db2.gz NGVUNSFTLITHQM-UHFFFAOYSA-N 0 3 191.278 1.018 10 0 ADAEHN Cc1cccc(CN[C@H]2CC[C@H]2O)c1 585298822 573855699 /nfs/dbraw/zinc/85/56/99/573855699.db2.gz LOEOSNKCKREJPK-NWDGAFQWSA-N 0 3 191.274 1.608 10 0 ADAEHN O[C@@H]1CC[C@H]1N1Cc2ccccc2C1 585298887 573855802 /nfs/dbraw/zinc/85/58/02/573855802.db2.gz PYRPTGVBIKJLEF-VXGBXAGGSA-N 0 3 189.258 1.526 10 0 ADAEHN CN[C@H](C)c1coc([C@H]2CCCN2)n1 258157459 573855856 /nfs/dbraw/zinc/85/58/56/573855856.db2.gz 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258155734 573857908 /nfs/dbraw/zinc/85/79/08/573857908.db2.gz LLMZGWPXDSOXTM-VHSXEESVSA-N 0 3 196.294 1.582 10 0 ADAEHN CN[C@@H](C)c1coc([C@H]2CCCN2)n1 258157462 573857990 /nfs/dbraw/zinc/85/79/90/573857990.db2.gz QTNBHHLCJOVVBD-JGVFFNPUSA-N 0 3 195.266 1.380 10 0 ADAEHN Cc1cccc(C2(O)CNC2)c1Cl 238547178 573859757 /nfs/dbraw/zinc/85/97/57/573859757.db2.gz IIRMXHVZBNJISM-UHFFFAOYSA-N 0 3 197.665 1.439 10 0 ADAEHN CC(C)(C)CC1=N[C@@H]2CNC[C@H]2O1 257890383 573859480 /nfs/dbraw/zinc/85/94/80/573859480.db2.gz GLSKHZQUEDPKKM-HTQZYQBOSA-N 0 3 182.267 1.192 10 0 ADAEHN Cc1cccc(C2(N)COC2)c1C 84333598 573859367 /nfs/dbraw/zinc/85/93/67/573859367.db2.gz LDIGSYZWJBQKJL-UHFFFAOYSA-N 0 3 177.247 1.488 10 0 ADAEHN Nc1ccc([C@@H](N)c2cccnc2)cc1 259213468 573859523 /nfs/dbraw/zinc/85/95/23/573859523.db2.gz GOJDRTGDDHNYGE-GFCCVEGCSA-N 0 3 199.257 1.712 10 0 ADAEHN CC(C)[C@H]([NH3+])c1c[nH]cc1[O-] 238169090 573859557 /nfs/dbraw/zinc/85/95/57/573859557.db2.gz GWTDMEVAWVGQFS-QMMMGPOBSA-N 0 3 154.213 1.376 10 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/nfs/dbraw/zinc/86/05/03/573860503.db2.gz VCPAZRRUUAEXJY-SNVBAGLBSA-N 0 3 183.226 1.300 10 0 ADAEHN CC(C)[C@H]1CNc2cnccc2N1 87260746 573860620 /nfs/dbraw/zinc/86/06/20/573860620.db2.gz LUFLNVLJXOMWNK-SECBINFHSA-N 0 3 177.251 1.944 10 0 ADAEHN COc1c(O)ccc(C)c1C1(N)CC1 258155568 573860644 /nfs/dbraw/zinc/86/06/44/573860644.db2.gz UQMSVNIEQVXUDD-UHFFFAOYSA-N 0 3 193.246 1.657 10 0 ADAEHN NCc1ccc2c(c1Cl)OCCO2 258157398 573860725 /nfs/dbraw/zinc/86/07/25/573860725.db2.gz PFRKJWLATQAOTH-UHFFFAOYSA-N 0 3 199.637 1.570 10 0 ADAEHN NC1(Cc2ccc(F)cc2)COC1 84336058 573862377 /nfs/dbraw/zinc/86/23/77/573862377.db2.gz JLIKSWWMVIAGHD-UHFFFAOYSA-N 0 3 181.210 1.096 10 0 ADAEHN CC[C@@](C)(N)C(=O)N(C)C1CCC1 127415199 573862388 /nfs/dbraw/zinc/86/23/88/573862388.db2.gz QUIIWRDGTNGUFO-SNVBAGLBSA-N 0 3 184.283 1.125 10 0 ADAEHN Nc1nc(-c2cc(F)cc(F)c2)c[nH]1 87283600 573862420 /nfs/dbraw/zinc/86/24/20/573862420.db2.gz BQWPWIFFSIVFPB-UHFFFAOYSA-N 0 3 195.172 1.937 10 0 ADAEHN COCNCCc1ccccc1F 259215685 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XKTYAKILDCUBGE-UHFFFAOYSA-N 0 3 185.198 1.307 10 0 ADAEHN CCc1cnn2c(C)cc(CN)nc12 258190692 573965140 /nfs/dbraw/zinc/96/51/40/573965140.db2.gz IVXKYCVEFIJTPM-UHFFFAOYSA-N 0 3 190.250 1.059 10 0 ADAEHN CN[C@@H](c1cscn1)[C@@H]1CCOC1 87594560 573965295 /nfs/dbraw/zinc/96/52/95/573965295.db2.gz UOIXKWLVJFZXLT-VXNVDRBHSA-N 0 3 198.291 1.440 10 0 ADAEHN CN[C@H](c1cscn1)[C@@H]1CCOC1 87594562 573965376 /nfs/dbraw/zinc/96/53/76/573965376.db2.gz UOIXKWLVJFZXLT-APPZFPTMSA-N 0 3 198.291 1.440 10 0 ADAEHN CNCc1c[nH]c(-c2cscn2)n1 87596276 573966457 /nfs/dbraw/zinc/96/64/57/573966457.db2.gz HDUQJKYFGGBRFY-UHFFFAOYSA-N 0 3 194.263 1.253 10 0 ADAEHN CNCc1cnc(-c2cscn2)[nH]1 87596276 573966461 /nfs/dbraw/zinc/96/64/61/573966461.db2.gz HDUQJKYFGGBRFY-UHFFFAOYSA-N 0 3 194.263 1.253 10 0 ADAEHN CC[C@@H]1C[C@]1(N)c1cscn1 87596121 573966746 /nfs/dbraw/zinc/96/67/46/573966746.db2.gz QGQYQPKZGZDARU-HTRCEHHLSA-N 0 3 168.265 1.727 10 0 ADAEHN COCCN(CCC(C)=O)C1CC1 42519010 573966859 /nfs/dbraw/zinc/96/68/59/573966859.db2.gz GLFFGEKSLWYXSA-UHFFFAOYSA-N 0 3 185.267 1.076 10 0 ADAEHN COCCN(CCCC(C)=O)C1CC1 42519014 573966933 /nfs/dbraw/zinc/96/69/33/573966933.db2.gz JLQHTQGDTGXOHA-UHFFFAOYSA-N 0 3 199.294 1.466 10 0 ADAEHN C[C@@H]1C[C@]1(N)c1cscn1 87596114 573966988 /nfs/dbraw/zinc/96/69/88/573966988.db2.gz QSVHDXSDSLOERI-IYSWYEEDSA-N 0 3 154.238 1.337 10 0 ADAEHN CC[C@H]1C[C@@]1(N)c1cscn1 87596128 573967276 /nfs/dbraw/zinc/96/72/76/573967276.db2.gz QGQYQPKZGZDARU-XPUUQOCRSA-N 0 3 168.265 1.727 10 0 ADAEHN CC(C)c1cccc2c1[C@@H](CO)NC2 238219135 573967151 /nfs/dbraw/zinc/96/71/51/573967151.db2.gz QCDJPJJZXXCODZ-LLVKDONJSA-N 0 3 191.274 1.947 10 0 ADAEHN CN[C@@H](c1cscn1)[C@H]1CCOC1 87594564 573968541 /nfs/dbraw/zinc/96/85/41/573968541.db2.gz UOIXKWLVJFZXLT-IONNQARKSA-N 0 3 198.291 1.440 10 0 ADAEHN C[NH2+]C[C@@H](O)c1cc(C)c([O-])cc1F 258193138 573968718 /nfs/dbraw/zinc/96/87/18/573968718.db2.gz RVVAJFBMLJATPB-SNVBAGLBSA-N 0 3 199.225 1.093 10 0 ADAEHN NC1(c2cscn2)[C@H]2CCC[C@H]21 87596137 573968720 /nfs/dbraw/zinc/96/87/20/573968720.db2.gz IGGSBKMAMHLSGB-AVSFMBPQSA-N 0 3 180.276 1.727 10 0 ADAEHN C[C@@H]1C[C@@]1(N)c1cscn1 87596118 573968743 /nfs/dbraw/zinc/96/87/43/573968743.db2.gz QSVHDXSDSLOERI-VDTYLAMSSA-N 0 3 154.238 1.337 10 0 ADAEHN [NH3+][C@@H](CC1CCCC1)c1cnn[n-]1 87599881 573973415 /nfs/dbraw/zinc/97/34/15/573973415.db2.gz ADWFFPRTCVHHSM-QMMMGPOBSA-N 0 3 180.255 1.385 10 0 ADAEHN COc1c(CN)ccc2cnoc12 259253859 573970151 /nfs/dbraw/zinc/97/01/51/573970151.db2.gz AODFQYRHPSJBGJ-UHFFFAOYSA-N 0 3 178.191 1.295 10 0 ADAEHN COC(=O)/C=C/CN1CCCCCC1 258192561 573970253 /nfs/dbraw/zinc/97/02/53/573970253.db2.gz VZEPWLIBIXYVBB-VOTSOKGWSA-N 0 3 197.278 1.592 10 0 ADAEHN Cc1cccc([C@H](N)c2cn[nH]n2)c1 87599835 573970433 /nfs/dbraw/zinc/97/04/33/573970433.db2.gz DMTOQXMNOIGNTC-JTQLQIEISA-N 0 3 188.234 1.161 10 0 ADAEHN CN[C@@H](CCC(C)C)c1cn[nH]n1 87600574 573970528 /nfs/dbraw/zinc/97/05/28/573970528.db2.gz ZOIIIPKYCZXELX-QMMMGPOBSA-N 0 3 182.271 1.501 10 0 ADAEHN CCc1ccc2c(c1)[C@H](CN)C(=O)N2 104357848 573970648 /nfs/dbraw/zinc/97/06/48/573970648.db2.gz LCWWCCQELBXLEQ-VIFPVBQESA-N 0 3 190.246 1.243 10 0 ADAEHN c1csc(NC[C@H]2CNCCO2)c1 259029249 573970660 /nfs/dbraw/zinc/97/06/60/573970660.db2.gz ZJCALEDGJHNNBL-MRVPVSSYSA-N 0 3 198.291 1.148 10 0 ADAEHN N[C@H](Cc1cccs1)c1cn[nH]n1 87599854 573970714 /nfs/dbraw/zinc/97/07/14/573970714.db2.gz SSVHANOATMHSMZ-SSDOTTSWSA-N 0 3 194.263 1.109 10 0 ADAEHN CCN1CCCCCCC[C@H](N)C1=O 238228225 573970819 /nfs/dbraw/zinc/97/08/19/573970819.db2.gz NCDJBGMCPKJHEG-JTQLQIEISA-N 0 3 198.310 1.516 10 0 ADAEHN C1CS[C@@]2(CCSC2)N1 87602382 573970897 /nfs/dbraw/zinc/97/08/97/573970897.db2.gz GQKZHYLJYZQVEL-ZCFIWIBFSA-N 0 3 161.295 1.156 10 0 ADAEHN CC1([C@]2(C)NCCS2)CC1 87602386 573970955 /nfs/dbraw/zinc/97/09/55/573970955.db2.gz WNNLMSWJCMPWKI-MRVPVSSYSA-N 0 3 157.282 1.839 10 0 ADAEHN CC1CCC([C@H]([NH3+])c2cnn[n-]2)CC1 87600498 573971049 /nfs/dbraw/zinc/97/10/49/573971049.db2.gz NXIWEXUQKLJQEB-KTOWXAHTSA-N 0 3 194.282 1.631 10 0 ADAEHN [NH3+][C@@H](CC1CCCCC1)c1cnn[n-]1 87600314 573971074 /nfs/dbraw/zinc/97/10/74/573971074.db2.gz ZBEOIUQLJFEFQW-VIFPVBQESA-N 0 3 194.282 1.775 10 0 ADAEHN Cc1ccc([C@H](N)c2c[nH]nn2)s1 87600399 573971179 /nfs/dbraw/zinc/97/11/79/573971179.db2.gz VDQIAEOQWUGHBK-MRVPVSSYSA-N 0 3 194.263 1.223 10 0 ADAEHN CCN1CC=C([C@@H](C)O)CC1 238227773 573971220 /nfs/dbraw/zinc/97/12/20/573971220.db2.gz GHCJVPDPWJRCCB-MRVPVSSYSA-N 0 3 155.241 1.019 10 0 ADAEHN COC[C@]1(C(C)C)NCCS1 87602318 573971392 /nfs/dbraw/zinc/97/13/92/573971392.db2.gz XXXKWMMQZMSQAR-QMMMGPOBSA-N 0 3 175.297 1.322 10 0 ADAEHN CC(C)N1CC=C(C(C)(C)O)CC1 258191698 573971598 /nfs/dbraw/zinc/97/15/98/573971598.db2.gz TZNWTNCSKYRJTI-UHFFFAOYSA-N 0 3 183.295 1.798 10 0 ADAEHN N[C@@H](Cc1ccsc1)c1cn[nH]n1 87599876 573971652 /nfs/dbraw/zinc/97/16/52/573971652.db2.gz KYXNLZDSSGQFRB-ZETCQYMHSA-N 0 3 194.263 1.109 10 0 ADAEHN NC(=[NH2+])c1c[nH]c2cccc([O-])c12 104394241 573971691 /nfs/dbraw/zinc/97/16/91/573971691.db2.gz RKQNMWHUWNNYAA-UHFFFAOYSA-N 0 3 175.191 1.158 10 0 ADAEHN CCN1CC=C([C@H](C)O)CC1 238227924 573971740 /nfs/dbraw/zinc/97/17/40/573971740.db2.gz GHCJVPDPWJRCCB-QMMMGPOBSA-N 0 3 155.241 1.019 10 0 ADAEHN C1CSC2(CCSCC2)N1 87602294 573971776 /nfs/dbraw/zinc/97/17/76/573971776.db2.gz NUQMKEHYXUMZCW-UHFFFAOYSA-N 0 3 175.322 1.546 10 0 ADAEHN N[C@H](Cc1ccsc1)c1cn[nH]n1 87599878 573971828 /nfs/dbraw/zinc/97/18/28/573971828.db2.gz KYXNLZDSSGQFRB-SSDOTTSWSA-N 0 3 194.263 1.109 10 0 ADAEHN CC1(C)CNc2ccncc2O1 238227380 573971858 /nfs/dbraw/zinc/97/18/58/573971858.db2.gz QCOPYBNYUKUSKY-UHFFFAOYSA-N 0 3 164.208 1.665 10 0 ADAEHN CCC(N)(CC)c1ncc[nH]1 87602242 573971861 /nfs/dbraw/zinc/97/18/61/573971861.db2.gz QTFHCGTZPICCGI-UHFFFAOYSA-N 0 3 153.229 1.384 10 0 ADAEHN Cc1ccc([C@H](N)c2cn[nH]n2)cc1 87600200 573971918 /nfs/dbraw/zinc/97/19/18/573971918.db2.gz HJWKUJWLCXATHR-JTQLQIEISA-N 0 3 188.234 1.161 10 0 ADAEHN [NH3+][C@H](CC1CCCC1)c1cnn[n-]1 87599880 573972008 /nfs/dbraw/zinc/97/20/08/573972008.db2.gz ADWFFPRTCVHHSM-MRVPVSSYSA-N 0 3 180.255 1.385 10 0 ADAEHN CCC1(CC)NC(=S)[C@@H](C)N1 238228470 573972009 /nfs/dbraw/zinc/97/20/09/573972009.db2.gz MLSPJGSQWGLHMN-ZCFIWIBFSA-N 0 3 172.297 1.411 10 0 ADAEHN CN[C@@H](c1ccccc1)c1c[nH]nn1 87600576 573972027 /nfs/dbraw/zinc/97/20/27/573972027.db2.gz PPQKFJGTTVFPAI-JTQLQIEISA-N 0 3 188.234 1.114 10 0 ADAEHN CN[C@H](c1ccccc1)c1c[nH]nn1 87600577 573974052 /nfs/dbraw/zinc/97/40/52/573974052.db2.gz PPQKFJGTTVFPAI-SNVBAGLBSA-N 0 3 188.234 1.114 10 0 ADAEHN Cc1cc([C@H](N)c2c[nH]nn2)cs1 87599979 573972979 /nfs/dbraw/zinc/97/29/79/573972979.db2.gz CYZRMESFEWXNNX-QMMMGPOBSA-N 0 3 194.263 1.223 10 0 ADAEHN CC[C@@H]1C[C@]2(CCO1)NCCS2 87602397 573973218 /nfs/dbraw/zinc/97/32/18/573973218.db2.gz ONJUOUYPOZQJKO-RKDXNWHRSA-N 0 3 187.308 1.608 10 0 ADAEHN Cc1cn([C@@H](C)C(=N)NO)c(C)n1 715095316 573973407 /nfs/dbraw/zinc/97/34/07/573973407.db2.gz BXFUXKZIRZGONI-LURJTMIESA-N 0 3 182.227 1.017 10 0 ADAEHN Cc1cc(C(C)C)cc(CN)n1 238228933 573973441 /nfs/dbraw/zinc/97/34/41/573973441.db2.gz FQFILKIJLMGQJQ-UHFFFAOYSA-N 0 3 164.252 1.972 10 0 ADAEHN COC[C@]1(C2CC2)NCCS1 87602327 573973515 /nfs/dbraw/zinc/97/35/15/573973515.db2.gz LTJJJMZONWGKEL-QMMMGPOBSA-N 0 3 173.281 1.076 10 0 ADAEHN CC1(C)C[C@]2(CCO1)NCCS2 87602394 573973532 /nfs/dbraw/zinc/97/35/32/573973532.db2.gz DLXFQLUOMRGSIP-SECBINFHSA-N 0 3 187.308 1.608 10 0 ADAEHN CN[C@@H](CC(C)C)c1cn[nH]n1 87600654 573973555 /nfs/dbraw/zinc/97/35/55/573973555.db2.gz UCSSYNXQNZQBOZ-ZETCQYMHSA-N 0 3 168.244 1.111 10 0 ADAEHN CC[C@H]1C[C@]2(CCO1)NCCS2 87602398 573973640 /nfs/dbraw/zinc/97/36/40/573973640.db2.gz ONJUOUYPOZQJKO-DTWKUNHWSA-N 0 3 187.308 1.608 10 0 ADAEHN CC1([C@@]2(C)NCCS2)CC1 87602387 573974025 /nfs/dbraw/zinc/97/40/25/573974025.db2.gz WNNLMSWJCMPWKI-QMMMGPOBSA-N 0 3 157.282 1.839 10 0 ADAEHN C1COCC[C@]2(C1)NCCS2 87602278 573974163 /nfs/dbraw/zinc/97/41/63/573974163.db2.gz CNTYXRWPKKVTOB-MRVPVSSYSA-N 0 3 173.281 1.220 10 0 ADAEHN N[C@@H](Cc1cccs1)c1cn[nH]n1 87599852 573974183 /nfs/dbraw/zinc/97/41/83/573974183.db2.gz SSVHANOATMHSMZ-ZETCQYMHSA-N 0 3 194.263 1.109 10 0 ADAEHN COc1ccc2c(c1OC)[C@H](N)CC2 104396165 573974203 /nfs/dbraw/zinc/97/42/03/573974203.db2.gz QKUMSAFSQLOWMU-MRVPVSSYSA-N 0 3 193.246 1.650 10 0 ADAEHN Cc1cccc([C@@H](N)c2cn[nH]n2)c1 87599837 573974278 /nfs/dbraw/zinc/97/42/78/573974278.db2.gz DMTOQXMNOIGNTC-SNVBAGLBSA-N 0 3 188.234 1.161 10 0 ADAEHN Cc1cc([C@@H](N)c2c[nH]nn2)cs1 87599980 573974310 /nfs/dbraw/zinc/97/43/10/573974310.db2.gz CYZRMESFEWXNNX-MRVPVSSYSA-N 0 3 194.263 1.223 10 0 ADAEHN CCC(CC)[C@H]([NH3+])c1cnn[n-]1 87600386 573974358 /nfs/dbraw/zinc/97/43/58/573974358.db2.gz WMPNBIHJBRJVRR-QMMMGPOBSA-N 0 3 168.244 1.241 10 0 ADAEHN CC1(C)C(=N)C(C)(C)C1=O 238229942 573974393 /nfs/dbraw/zinc/97/43/93/573974393.db2.gz MKZWOLDSSKZVPF-UHFFFAOYSA-N 0 3 139.198 1.641 10 0 ADAEHN CC(C)c1cc(CN)cnn1 238229805 573974435 /nfs/dbraw/zinc/97/44/35/573974435.db2.gz HBIAZDPUDBFTGY-UHFFFAOYSA-N 0 3 151.213 1.059 10 0 ADAEHN CC1(C)CO[C@H]([C@@H]2CCC=CO2)N1 238229476 573974495 /nfs/dbraw/zinc/97/44/95/573974495.db2.gz SBOFJUQEFALSIN-DTWKUNHWSA-N 0 3 183.251 1.404 10 0 ADAEHN [NH3+][C@@H](c1cnn[n-]1)C1CCCCC1 87600466 573974515 /nfs/dbraw/zinc/97/45/15/573974515.db2.gz PPNKEUVHZJZTAI-SECBINFHSA-N 0 3 180.255 1.385 10 0 ADAEHN CCOc1ccc([C@H](O)NC)cc1 259253613 573974526 /nfs/dbraw/zinc/97/45/26/573974526.db2.gz HJJZLBGKQYHOQT-JTQLQIEISA-N 0 3 181.235 1.296 10 0 ADAEHN Cc1cn([C@H](C)C(=N)NO)c(C)n1 715095326 573974550 /nfs/dbraw/zinc/97/45/50/573974550.db2.gz BXFUXKZIRZGONI-ZCFIWIBFSA-N 0 3 182.227 1.017 10 0 ADAEHN CC[C@]1(COC)N[C@H](C)CS1 87603061 573977373 /nfs/dbraw/zinc/97/73/73/573977373.db2.gz IPDNLBQPSHPOOF-SFYZADRCSA-N 0 3 175.297 1.464 10 0 ADAEHN CC1CCC([C@@H]([NH3+])c2cnn[n-]2)CC1 87600499 573975539 /nfs/dbraw/zinc/97/55/39/573975539.db2.gz NXIWEXUQKLJQEB-SFVIPPHHSA-N 0 3 194.282 1.631 10 0 ADAEHN Cc1ccc([C@@H](N)c2c[nH]nn2)s1 87600401 573975510 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/nfs/dbraw/zinc/79/40/07/582794007.db2.gz HTSFEBVQVFOLLP-CMPLNLGQSA-N 0 3 188.274 1.718 10 0 ADAEHN Cc1ccc(CN2CC[C@H]3C[C@H]32)nc1 839533462 582794054 /nfs/dbraw/zinc/79/40/54/582794054.db2.gz UDJKCGYKFRVTEG-CMPLNLGQSA-N 0 3 188.274 1.984 10 0 ADAEHN c1ccc(CCN2CC[C@@H]3C[C@@H]32)nc1 839533342 582794126 /nfs/dbraw/zinc/79/41/26/582794126.db2.gz HTSFEBVQVFOLLP-PWSUYJOCSA-N 0 3 188.274 1.718 10 0 ADAEHN Cc1ccc(CN2CC[C@@H]3C[C@@H]32)nc1 839533464 582794650 /nfs/dbraw/zinc/79/46/50/582794650.db2.gz UDJKCGYKFRVTEG-PWSUYJOCSA-N 0 3 188.274 1.984 10 0 ADAEHN C[C@@H]1[C@H](CO)CCCN1CCF 839671629 582796143 /nfs/dbraw/zinc/79/61/43/582796143.db2.gz BMMLTCVEUMQVNE-BDAKNGLRSA-N 0 3 175.247 1.049 10 0 ADAEHN C[C@H]1[C@H](CO)CCCN1CCF 839671639 582796429 /nfs/dbraw/zinc/79/64/29/582796429.db2.gz BMMLTCVEUMQVNE-IUCAKERBSA-N 0 3 175.247 1.049 10 0 ADAEHN C[C@@H]1[C@@H](CO)CCCN1CCF 839671642 582796609 /nfs/dbraw/zinc/79/66/09/582796609.db2.gz BMMLTCVEUMQVNE-RKDXNWHRSA-N 0 3 175.247 1.049 10 0 ADAEHN C[C@H]1[C@@H](CO)CCCN1CCF 839671636 582796974 /nfs/dbraw/zinc/79/69/74/582796974.db2.gz BMMLTCVEUMQVNE-DTWKUNHWSA-N 0 3 175.247 1.049 10 0 ADAEHN Cn1cncc1CN1CC[C@@H]2C[C@@H]21 761088970 582810179 /nfs/dbraw/zinc/81/01/79/582810179.db2.gz RBZOMIOZCNQUKX-SCZZXKLOSA-N 0 3 177.251 1.014 10 0 ADAEHN Cn1cc(CCN2CC[C@H]3C[C@H]32)cn1 761088048 582810197 /nfs/dbraw/zinc/81/01/97/582810197.db2.gz DGHJGZQOEMEMIL-WDEREUQCSA-N 0 3 191.278 1.057 10 0 ADAEHN Cc1noc(C)c1CN1CC[C@H]2C[C@H]21 761094444 582810209 /nfs/dbraw/zinc/81/02/09/582810209.db2.gz PWLWABVBYWVFPV-GXSJLCMTSA-N 0 3 192.262 1.886 10 0 ADAEHN Cn1cncc1CN1CC[C@H]2C[C@H]21 761088972 582810286 /nfs/dbraw/zinc/81/02/86/582810286.db2.gz RBZOMIOZCNQUKX-WCBMZHEXSA-N 0 3 177.251 1.014 10 0 ADAEHN Cn1cc(CN2CC[C@H]3C[C@H]32)cn1 761091449 582810305 /nfs/dbraw/zinc/81/03/05/582810305.db2.gz VSBQLRWFBXXHLO-VHSXEESVSA-N 0 3 177.251 1.014 10 0 ADAEHN Cn1cc(CN2CC[C@@H]3C[C@@H]32)cn1 761091452 582810382 /nfs/dbraw/zinc/81/03/82/582810382.db2.gz VSBQLRWFBXXHLO-ZJUUUORDSA-N 0 3 177.251 1.014 10 0 ADAEHN CC(C)OC(=O)CCN1CC[C@H]2C[C@H]21 761094362 582810474 /nfs/dbraw/zinc/81/04/74/582810474.db2.gz PJFOHASWEFECBW-VHSXEESVSA-N 0 3 197.278 1.422 10 0 ADAEHN Cc1noc(C)c1CN1CC[C@@H]2C[C@@H]21 761094446 582810481 /nfs/dbraw/zinc/81/04/81/582810481.db2.gz PWLWABVBYWVFPV-KOLCDFICSA-N 0 3 192.262 1.886 10 0 ADAEHN CC(C)OC(=O)CCN1CC[C@@H]2C[C@@H]21 761094366 582810523 /nfs/dbraw/zinc/81/05/23/582810523.db2.gz PJFOHASWEFECBW-ZJUUUORDSA-N 0 3 197.278 1.422 10 0 ADAEHN Cn1cc(CCN2CC[C@@H]3C[C@@H]32)cn1 761088046 582810571 /nfs/dbraw/zinc/81/05/71/582810571.db2.gz DGHJGZQOEMEMIL-MNOVXSKESA-N 0 3 191.278 1.057 10 0 ADAEHN CCOC(=O)CCCN1CC[C@H]2C[C@H]21 761102373 582810871 /nfs/dbraw/zinc/81/08/71/582810871.db2.gz YRNIETRCUGBWOJ-VHSXEESVSA-N 0 3 197.278 1.424 10 0 ADAEHN CCOC(=O)CCCN1CC[C@@H]2C[C@@H]21 761102374 582811089 /nfs/dbraw/zinc/81/10/89/582811089.db2.gz YRNIETRCUGBWOJ-ZJUUUORDSA-N 0 3 197.278 1.424 10 0 ADAEHN Cc1ccncc1CN1CC[C@@H]2C[C@@H]21 761100083 582811431 /nfs/dbraw/zinc/81/14/31/582811431.db2.gz XZQHJUJRMDUJNP-PWSUYJOCSA-N 0 3 188.274 1.984 10 0 ADAEHN Cc1ccncc1CN1CC[C@H]2C[C@H]21 761100077 582811733 /nfs/dbraw/zinc/81/17/33/582811733.db2.gz XZQHJUJRMDUJNP-CMPLNLGQSA-N 0 3 188.274 1.984 10 0 ADAEHN CC/C=C/CCN1CCN(C)[C@H](C)C1 767329534 582830782 /nfs/dbraw/zinc/83/07/82/582830782.db2.gz AHVWLATUEWKCKP-BTDICHCPSA-N 0 3 196.338 1.979 10 0 ADAEHN CC/C=C\CCN1CCN(C)[C@H](C)C1 767329536 582830996 /nfs/dbraw/zinc/83/09/96/582830996.db2.gz AHVWLATUEWKCKP-FOQNGQEVSA-N 0 3 196.338 1.979 10 0 ADAEHN CC/C=C/CCN1CCN(C)[C@@H](C)C1 767329537 582831333 /nfs/dbraw/zinc/83/13/33/582831333.db2.gz AHVWLATUEWKCKP-FYJFLYSWSA-N 0 3 196.338 1.979 10 0 ADAEHN CC/C=C\CCN1CCN(C)[C@@H](C)C1 767329535 582831459 /nfs/dbraw/zinc/83/14/59/582831459.db2.gz AHVWLATUEWKCKP-FJOGCWAESA-N 0 3 196.338 1.979 10 0 ADAEHN CC(C)(C)CCC[C@@H](N)C(N)=O 300750527 582832437 /nfs/dbraw/zinc/83/24/37/582832437.db2.gz GOJFYBHNERNDAF-SSDOTTSWSA-N 0 3 172.272 1.015 10 0 ADAEHN CC(C)[C@@H](C)N(C)Cc1cncnc1 768269503 582834312 /nfs/dbraw/zinc/83/43/12/582834312.db2.gz PVARHJXRDSNSBQ-SNVBAGLBSA-N 0 3 193.294 1.953 10 0 ADAEHN COC1CCN(Cc2ccoc2)CC1 768216244 582834513 /nfs/dbraw/zinc/83/45/13/582834513.db2.gz UEUKYMRLYGEQHI-UHFFFAOYSA-N 0 3 195.262 1.890 10 0 ADAEHN c1ncc(CN2C3CCC2CC3)cn1 768231507 582834655 /nfs/dbraw/zinc/83/46/55/582834655.db2.gz XETMGHOGMWYMQA-UHFFFAOYSA-N 0 3 189.262 1.603 10 0 ADAEHN C[C@H](C1CC1)N(C)Cc1cncnc1 768419936 582834813 /nfs/dbraw/zinc/83/48/13/582834813.db2.gz AHBSWMQGUYRCRU-SECBINFHSA-N 0 3 191.278 1.707 10 0 ADAEHN C[C@@H](C1CC1)N(C)Cc1cncnc1 768419937 582834924 /nfs/dbraw/zinc/83/49/24/582834924.db2.gz AHBSWMQGUYRCRU-VIFPVBQESA-N 0 3 191.278 1.707 10 0 ADAEHN CCCN(Cc1cncnc1)C1CC1 768290273 582834983 /nfs/dbraw/zinc/83/49/83/582834983.db2.gz FFTSZKQSANIPCG-UHFFFAOYSA-N 0 3 191.278 1.851 10 0 ADAEHN CC(C)[C@H](C)N(C)Cc1cncnc1 768269502 582834993 /nfs/dbraw/zinc/83/49/93/582834993.db2.gz PVARHJXRDSNSBQ-JTQLQIEISA-N 0 3 193.294 1.953 10 0 ADAEHN CCN(Cc1cncnc1)CC(C)C 768334173 582835014 /nfs/dbraw/zinc/83/50/14/582835014.db2.gz ANYVQVCOFKSAQL-UHFFFAOYSA-N 0 3 193.294 1.955 10 0 ADAEHN CC(C)CCN(C)Cc1cncnc1 768262990 582835070 /nfs/dbraw/zinc/83/50/70/582835070.db2.gz NEKXUIHVMKVABU-UHFFFAOYSA-N 0 3 193.294 1.955 10 0 ADAEHN CC[C@@H](C)CN(C)Cc1cncnc1 768770175 582835755 /nfs/dbraw/zinc/83/57/55/582835755.db2.gz SLZKAPWYIMQNFQ-SNVBAGLBSA-N 0 3 193.294 1.955 10 0 ADAEHN CC[C@H](C)CN(C)Cc1cncnc1 768770173 582835944 /nfs/dbraw/zinc/83/59/44/582835944.db2.gz SLZKAPWYIMQNFQ-JTQLQIEISA-N 0 3 193.294 1.955 10 0 ADAEHN CC(C)N(Cc1cncnc1)C1CC1 768521463 582836145 /nfs/dbraw/zinc/83/61/45/582836145.db2.gz ZSBQJBNENVCYJZ-UHFFFAOYSA-N 0 3 191.278 1.849 10 0 ADAEHN CN(Cc1cncnc1)CC(C)(C)C 768937112 582836969 /nfs/dbraw/zinc/83/69/69/582836969.db2.gz LFQINUZEQVIKFA-UHFFFAOYSA-N 0 3 193.294 1.955 10 0 ADAEHN COC[C@H]1CCN(Cc2ccoc2)C1 769397333 582838670 /nfs/dbraw/zinc/83/86/70/582838670.db2.gz CSZINACRXORLIH-JTQLQIEISA-N 0 3 195.262 1.748 10 0 ADAEHN CCN(Cc1cncnc1)CC1CC1 769404832 582839091 /nfs/dbraw/zinc/83/90/91/582839091.db2.gz QMUJPXBTOSODNC-UHFFFAOYSA-N 0 3 191.278 1.709 10 0 ADAEHN COC[C@@H]1CCN(Cc2ccoc2)C1 769397338 582839392 /nfs/dbraw/zinc/83/93/92/582839392.db2.gz CSZINACRXORLIH-SNVBAGLBSA-N 0 3 195.262 1.748 10 0 ADAEHN Cc1nn(C)cc1CN1CCC1(C)C 769445737 582839448 /nfs/dbraw/zinc/83/94/48/582839448.db2.gz IOVUADUQZLXLCP-UHFFFAOYSA-N 0 3 193.294 1.713 10 0 ADAEHN CCN(Cc1cncnc1)C1CCC1 769466960 582839862 /nfs/dbraw/zinc/83/98/62/582839862.db2.gz QTSAPEZJXCRCIZ-UHFFFAOYSA-N 0 3 191.278 1.851 10 0 ADAEHN C[C@@H](CN(C)C)NC(=O)/C=C\C1CC1 805427901 582844771 /nfs/dbraw/zinc/84/47/71/582844771.db2.gz RDBWDGRJYJQNOG-NMTCXDENSA-N 0 3 196.294 1.019 10 0 ADAEHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CC1(C)C 805428383 582845145 /nfs/dbraw/zinc/84/51/45/582845145.db2.gz MEQIYBARISYHBM-IUCAKERBSA-N 0 3 198.310 1.099 10 0 ADAEHN C[C@@H](CN(C)C)NC(=O)/C=C/C1CC1 805427902 582845236 /nfs/dbraw/zinc/84/52/36/582845236.db2.gz RDBWDGRJYJQNOG-UCUJLANTSA-N 0 3 196.294 1.019 10 0 ADAEHN CC(=O)CCN(CCCCO)C1CC1 772779331 582850858 /nfs/dbraw/zinc/85/08/58/582850858.db2.gz YBEDZIGGIKYFBA-UHFFFAOYSA-N 0 3 199.294 1.202 10 0 ADAEHN CCN(CC)CCOC(=O)C1(C)CC1 772186028 582849089 /nfs/dbraw/zinc/84/90/89/582849089.db2.gz BELZUNLRPYZHJK-UHFFFAOYSA-N 0 3 199.294 1.672 10 0 ADAEHN CCN(CC(=O)NC)CC1(C)CCC1 774834757 582859903 /nfs/dbraw/zinc/85/99/03/582859903.db2.gz HUZGIQBQDIIWJC-UHFFFAOYSA-N 0 3 198.310 1.245 10 0 ADAEHN CN(C[C@H]1CCC=CO1)[C@@H]1CCOC1 774878612 582860892 /nfs/dbraw/zinc/86/08/92/582860892.db2.gz UIQGMHDPHORPLV-GHMZBOCLSA-N 0 3 197.278 1.400 10 0 ADAEHN CN(C[C@@H]1CCC=CO1)[C@H]1CCOC1 774878614 582861254 /nfs/dbraw/zinc/86/12/54/582861254.db2.gz UIQGMHDPHORPLV-QWRGUYRKSA-N 0 3 197.278 1.400 10 0 ADAEHN CN(C[C@H]1CCC=CO1)[C@H]1CCOC1 774878615 582861952 /nfs/dbraw/zinc/86/19/52/582861952.db2.gz UIQGMHDPHORPLV-WDEREUQCSA-N 0 3 197.278 1.400 10 0 ADAEHN CN(C[C@@H]1CCC=CO1)[C@@H]1CCOC1 774878613 582861957 /nfs/dbraw/zinc/86/19/57/582861957.db2.gz UIQGMHDPHORPLV-MNOVXSKESA-N 0 3 197.278 1.400 10 0 ADAEHN COCC1=CCN(CCC(C)=O)CC1 775827011 582862904 /nfs/dbraw/zinc/86/29/04/582862904.db2.gz QANRIHPBDXLAAV-UHFFFAOYSA-N 0 3 197.278 1.244 10 0 ADAEHN C[C@@H]1CCOCCN1C[C@@H]1CCCO1 775569186 582863295 /nfs/dbraw/zinc/86/32/95/582863295.db2.gz UVCUBBLGZMMZBL-MNOVXSKESA-N 0 3 199.294 1.276 10 0 ADAEHN C[C@H]1CCOCCN1C[C@@H]1CCCO1 775569187 582863589 /nfs/dbraw/zinc/86/35/89/582863589.db2.gz UVCUBBLGZMMZBL-QWRGUYRKSA-N 0 3 199.294 1.276 10 0 ADAEHN C[C@@H]1CCOCCN1C[C@H]1CCCO1 775569185 582863644 /nfs/dbraw/zinc/86/36/44/582863644.db2.gz UVCUBBLGZMMZBL-GHMZBOCLSA-N 0 3 199.294 1.276 10 0 ADAEHN C[C@H]1CCOCCN1C[C@H]1CCCO1 775569188 582863757 /nfs/dbraw/zinc/86/37/57/582863757.db2.gz UVCUBBLGZMMZBL-WDEREUQCSA-N 0 3 199.294 1.276 10 0 ADAEHN C[C@@H]1CCCN(Cn2cnnc2)CC1 776757851 582866549 /nfs/dbraw/zinc/86/65/49/582866549.db2.gz ATVFHXGGTBPFBN-SNVBAGLBSA-N 0 3 194.282 1.358 10 0 ADAEHN CC[C@@]1(C)CCN(Cn2cnnc2)C1 776763133 582866553 /nfs/dbraw/zinc/86/65/53/582866553.db2.gz GZWKCPLXZMVNKU-JTQLQIEISA-N 0 3 194.282 1.358 10 0 ADAEHN CC[C@]1(C)CCN(Cn2cnnc2)C1 776763135 582866605 /nfs/dbraw/zinc/86/66/05/582866605.db2.gz GZWKCPLXZMVNKU-SNVBAGLBSA-N 0 3 194.282 1.358 10 0 ADAEHN C[C@H]1CCCN(Cn2cnnc2)CC1 776757850 582866650 /nfs/dbraw/zinc/86/66/50/582866650.db2.gz ATVFHXGGTBPFBN-JTQLQIEISA-N 0 3 194.282 1.358 10 0 ADAEHN C[C@@H]1CCCCCN1Cn1cnnc1 776760495 582866744 /nfs/dbraw/zinc/86/67/44/582866744.db2.gz RDXUIGCRMRKUSR-SNVBAGLBSA-N 0 3 194.282 1.500 10 0 ADAEHN C[C@H]1CCCCCN1Cn1cnnc1 776760494 582866754 /nfs/dbraw/zinc/86/67/54/582866754.db2.gz RDXUIGCRMRKUSR-JTQLQIEISA-N 0 3 194.282 1.500 10 0 ADAEHN CC(C)[C@@H]1CCN(Cn2cnnc2)C1 776762510 582866949 /nfs/dbraw/zinc/86/69/49/582866949.db2.gz BERFZGSPQNTTSL-SNVBAGLBSA-N 0 3 194.282 1.214 10 0 ADAEHN CC(C)[C@H]1CCN(Cn2cnnc2)C1 776762509 582866976 /nfs/dbraw/zinc/86/69/76/582866976.db2.gz BERFZGSPQNTTSL-JTQLQIEISA-N 0 3 194.282 1.214 10 0 ADAEHN CCCCN(Cn1cnnc1)C1CC1 776756867 582867058 /nfs/dbraw/zinc/86/70/58/582867058.db2.gz FMENYGLSJIHZJC-UHFFFAOYSA-N 0 3 194.282 1.500 10 0 ADAEHN CC(C)N(CC1CC1)Cn1cnnc1 776756873 582867075 /nfs/dbraw/zinc/86/70/75/582867075.db2.gz FPWPARSIRNHDNA-UHFFFAOYSA-N 0 3 194.282 1.356 10 0 ADAEHN CC(=O)CCN(CC(C)(C)O)C1CC1 778218628 582869180 /nfs/dbraw/zinc/86/91/80/582869180.db2.gz UDHGOEKDXAMSED-UHFFFAOYSA-N 0 3 199.294 1.201 10 0 ADAEHN O=C1OCC[C@@H]1CCN1CC=CCC1 778970704 582871520 /nfs/dbraw/zinc/87/15/20/582871520.db2.gz FMLPLNQJTUZEKX-JTQLQIEISA-N 0 3 195.262 1.202 10 0 ADAEHN C1=CCN(CCC2OCCCO2)CC1 778965612 582872264 /nfs/dbraw/zinc/87/22/64/582872264.db2.gz DCIHOMLNOBAUCD-UHFFFAOYSA-N 0 3 197.278 1.401 10 0 ADAEHN O=C1OCC[C@H]1CCN1CC=CCC1 778970705 582872374 /nfs/dbraw/zinc/87/23/74/582872374.db2.gz FMLPLNQJTUZEKX-SNVBAGLBSA-N 0 3 195.262 1.202 10 0 ADAEHN C[C@H](C1CC1)N1CCc2c[nH]nc2C1 782183068 582883628 /nfs/dbraw/zinc/88/36/28/582883628.db2.gz YSEPUWSVXSKVTK-MRVPVSSYSA-N 0 3 191.278 1.566 10 0 ADAEHN C[C@@H](C1CC1)N1CCc2c[nH]nc2C1 782183069 582883651 /nfs/dbraw/zinc/88/36/51/582883651.db2.gz YSEPUWSVXSKVTK-QMMMGPOBSA-N 0 3 191.278 1.566 10 0 ADAEHN CC(=O)CCN1CCOCC2(CC2)C1 782533517 582884443 /nfs/dbraw/zinc/88/44/43/582884443.db2.gz VVGAXTLSJZWCHG-UHFFFAOYSA-N 0 3 197.278 1.078 10 0 ADAEHN Cc1cncc(CN2CC[C@H]3C[C@H]32)c1 785478156 582893542 /nfs/dbraw/zinc/89/35/42/582893542.db2.gz MGIMHFPAIAGYKE-NWDGAFQWSA-N 0 3 188.274 1.984 10 0 ADAEHN Cc1cncc(CN2CC[C@@H]3C[C@@H]32)c1 785478155 582893650 /nfs/dbraw/zinc/89/36/50/582893650.db2.gz MGIMHFPAIAGYKE-NEPJUHHUSA-N 0 3 188.274 1.984 10 0 ADAEHN CN(CC1OCCO1)C1(C)CCCC1 786219770 582895949 /nfs/dbraw/zinc/89/59/49/582895949.db2.gz VJMJCEVWSLWONW-UHFFFAOYSA-N 0 3 199.294 1.624 10 0 ADAEHN CCOC1CC(N(C)CCC(C)=O)C1 805820175 582896844 /nfs/dbraw/zinc/89/68/44/582896844.db2.gz 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/nfs/dbraw/zinc/42/28/61/343422861.db2.gz TYIZDXLOXADHGV-SNVBAGLBSA-N 0 3 193.294 1.871 10 0 ADAEHN CCn1ccnc1[C@H](C)NC 69048145 343423637 /nfs/dbraw/zinc/42/36/37/343423637.db2.gz PGSSRHAWLYDHOZ-ZETCQYMHSA-N 0 3 153.229 1.183 10 0 ADAEHN C[C@H]1CCCN(CC(=O)C2CC2)C1 68894113 343413723 /nfs/dbraw/zinc/41/37/23/343413723.db2.gz JFTWQCWHOQUGNB-VIFPVBQESA-N 0 3 181.279 1.697 10 0 ADAEHN C[C@H]1CCN(CC(=O)C2CC2)C1 68894718 343413736 /nfs/dbraw/zinc/41/37/36/343413736.db2.gz SNHUOPSJCVMZOH-QMMMGPOBSA-N 0 3 167.252 1.307 10 0 ADAEHN CC[C@@H](C)C(=O)N1[C@@H](C)CNC[C@H]1C 68913049 343415187 /nfs/dbraw/zinc/41/51/87/343415187.db2.gz ONNDFFSDXMNNMM-BBBLOLIVSA-N 0 3 198.310 1.241 10 0 ADAEHN CNCc1nc2c([nH]1)CC[C@H](C)C2 68945930 343416275 /nfs/dbraw/zinc/41/62/75/343416275.db2.gz QBZNGKHCDUYMHC-ZETCQYMHSA-N 0 3 179.267 1.254 10 0 ADAEHN CC(C)(N)c1cn(C2CCCC2)nn1 69680457 343432904 /nfs/dbraw/zinc/43/29/04/343432904.db2.gz VEXOISRPMUXDRO-UHFFFAOYSA-N 0 3 194.282 1.587 10 0 ADAEHN 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ADAEHN CCCc1nc(C)c(N)n1CC 105025327 167111284 /nfs/dbraw/zinc/11/12/84/167111284.db2.gz PTEFACWJGWTISS-UHFFFAOYSA-N 0 3 167.256 1.746 10 0 ADAEHN CCCc1nnc([C@@H](N)CCC)[nH]1 41058583 167111456 /nfs/dbraw/zinc/11/14/56/167111456.db2.gz FNNLVCTXYDHERO-ZETCQYMHSA-N 0 3 182.271 1.557 10 0 ADAEHN CCCc1nnc([C@@H]([NH3+])CCC)[n-]1 41058583 167111458 /nfs/dbraw/zinc/11/14/58/167111458.db2.gz FNNLVCTXYDHERO-ZETCQYMHSA-N 0 3 182.271 1.557 10 0 ADAEHN CCCc1nnc(CN[C@@H](C)CC)[nH]1 41058597 167111486 /nfs/dbraw/zinc/11/14/86/167111486.db2.gz BSCQFJVIYJCBSN-QMMMGPOBSA-N 0 3 196.298 1.645 10 0 ADAEHN CCCc1nnc(C[NH2+][C@@H](C)CC)[n-]1 41058597 167111488 /nfs/dbraw/zinc/11/14/88/167111488.db2.gz BSCQFJVIYJCBSN-QMMMGPOBSA-N 0 3 196.298 1.645 10 0 ADAEHN CCCc1nc(C(C)(C)NC)n[nH]1 61151988 167111573 /nfs/dbraw/zinc/11/15/73/167111573.db2.gz VIGCDSQGXOAQAQ-UHFFFAOYSA-N 0 3 182.271 1.212 10 0 ADAEHN CCCc1nnc(C(C)(C)[NH2+]C)[n-]1 61151988 167111575 /nfs/dbraw/zinc/11/15/75/167111575.db2.gz 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/nfs/dbraw/zinc/11/24/87/167112487.db2.gz BWDPEPAXUVBDMC-LURJTMIESA-N 0 3 153.229 1.382 10 0 ADAEHN CCCc1nc2c(c(NN)n1)CCC2 51152118 167112608 /nfs/dbraw/zinc/11/26/08/167112608.db2.gz AFFVIIFIUPQNHW-UHFFFAOYSA-N 0 3 192.266 1.203 10 0 ADAEHN CCCc1nc([C@H](C)NC)n[nH]1 54069837 167112674 /nfs/dbraw/zinc/11/26/74/167112674.db2.gz NYEGTZHVTLVTPQ-LURJTMIESA-N 0 3 168.244 1.038 10 0 ADAEHN CCCc1nnc([C@H](C)[NH2+]C)[n-]1 54069837 167112676 /nfs/dbraw/zinc/11/26/76/167112676.db2.gz NYEGTZHVTLVTPQ-LURJTMIESA-N 0 3 168.244 1.038 10 0 ADAEHN CCCc1nnc([C@](C)(N)CCC)[nH]1 41058580 167112733 /nfs/dbraw/zinc/11/27/33/167112733.db2.gz GMDFYPIBFVPSTK-SNVBAGLBSA-N 0 3 196.298 1.731 10 0 ADAEHN CCCc1nc2c(s1)CNCC2 49455987 167112787 /nfs/dbraw/zinc/11/27/87/167112787.db2.gz APOMUBJKUARRKR-UHFFFAOYSA-N 0 3 182.292 1.741 10 0 ADAEHN CCCc1nc([C@H]2CCCCN2)n[nH]1 41058663 167112856 /nfs/dbraw/zinc/11/28/56/167112856.db2.gz REEUAQPQSMNCNQ-MRVPVSSYSA-N 0 3 194.282 1.572 10 0 ADAEHN CCCc1nnc([C@H]2CCCC[NH2+]2)[n-]1 41058663 167112860 /nfs/dbraw/zinc/11/28/60/167112860.db2.gz REEUAQPQSMNCNQ-MRVPVSSYSA-N 0 3 194.282 1.572 10 0 ADAEHN CCCc1nnc([C@H]2CCC[NH2+]2)[n-]1 41058661 167112965 /nfs/dbraw/zinc/11/29/65/167112965.db2.gz AKJURXUZGCGIMF-SSDOTTSWSA-N 0 3 180.255 1.182 10 0 ADAEHN CCCc1nnc([C@@H]2CCC[NH2+]2)[n-]1 41058660 167112985 /nfs/dbraw/zinc/11/29/85/167112985.db2.gz AKJURXUZGCGIMF-ZETCQYMHSA-N 0 3 180.255 1.182 10 0 ADAEHN CCCc1nnc([C@H](N)C(C)C)[nH]1 41058632 167113023 /nfs/dbraw/zinc/11/30/23/167113023.db2.gz RKYKQTDFQMHGHL-MRVPVSSYSA-N 0 3 182.271 1.413 10 0 ADAEHN CCCc1nc([C@H](N)C(C)C)n[nH]1 41058632 167113026 /nfs/dbraw/zinc/11/30/26/167113026.db2.gz RKYKQTDFQMHGHL-MRVPVSSYSA-N 0 3 182.271 1.413 10 0 ADAEHN CCCc1nnc([C@H](N)CC(C)C)[nH]1 41058654 167113338 /nfs/dbraw/zinc/11/33/38/167113338.db2.gz LNBGFYNZQMOGDT-MRVPVSSYSA-N 0 3 196.298 1.803 10 0 ADAEHN CCCc1nnc([C@H]([NH3+])CC(C)C)[n-]1 41058654 167113339 /nfs/dbraw/zinc/11/33/39/167113339.db2.gz LNBGFYNZQMOGDT-MRVPVSSYSA-N 0 3 196.298 1.803 10 0 ADAEHN CCCc1nnc([C@H](CC)NC)[nH]1 44626614 167113468 /nfs/dbraw/zinc/11/34/68/167113468.db2.gz LRPLOOBFOWZAAU-ZETCQYMHSA-N 0 3 182.271 1.428 10 0 ADAEHN CCCc1nnc([C@H](CC)[NH2+]C)[n-]1 44626614 167113472 /nfs/dbraw/zinc/11/34/72/167113472.db2.gz LRPLOOBFOWZAAU-ZETCQYMHSA-N 0 3 182.271 1.428 10 0 ADAEHN CCCc1nc([C@H](N)C(C)(C)C)n[nH]1 41058679 167113503 /nfs/dbraw/zinc/11/35/03/167113503.db2.gz BPEICTDHVYQFJH-QMMMGPOBSA-N 0 3 196.298 1.803 10 0 ADAEHN CCCc1nc([C@@H]2CCCCN2)n[nH]1 41058662 167113686 /nfs/dbraw/zinc/11/36/86/167113686.db2.gz REEUAQPQSMNCNQ-QMMMGPOBSA-N 0 3 194.282 1.572 10 0 ADAEHN CCCc1nnc([C@@H]2CCCC[NH2+]2)[n-]1 41058662 167113687 /nfs/dbraw/zinc/11/36/87/167113687.db2.gz REEUAQPQSMNCNQ-QMMMGPOBSA-N 0 3 194.282 1.572 10 0 ADAEHN CCCc1nnc([C@H](N)C2CC2)[nH]1 54503938 167113734 /nfs/dbraw/zinc/11/37/34/167113734.db2.gz XGLXBACCISCCKW-MRVPVSSYSA-N 0 3 180.255 1.167 10 0 ADAEHN CCCc1nc([C@H](N)C2CC2)n[nH]1 54503938 167113737 /nfs/dbraw/zinc/11/37/37/167113737.db2.gz XGLXBACCISCCKW-MRVPVSSYSA-N 0 3 180.255 1.167 10 0 ADAEHN CCCc1nnc([C@H](N)CCC)[nH]1 41058582 167113743 /nfs/dbraw/zinc/11/37/43/167113743.db2.gz FNNLVCTXYDHERO-SSDOTTSWSA-N 0 3 182.271 1.557 10 0 ADAEHN CCCc1nnc([C@H]([NH3+])CCC)[n-]1 41058582 167113746 /nfs/dbraw/zinc/11/37/46/167113746.db2.gz FNNLVCTXYDHERO-SSDOTTSWSA-N 0 3 182.271 1.557 10 0 ADAEHN CCCc1nnc([C@H](N)[C@@H](C)CC)[nH]1 41058637 167113763 /nfs/dbraw/zinc/11/37/63/167113763.db2.gz MQUPHBNYQGRYJV-IONNQARKSA-N 0 3 196.298 1.803 10 0 ADAEHN CCCc1nc([C@H](N)[C@@H](C)CC)n[nH]1 41058637 167113766 /nfs/dbraw/zinc/11/37/66/167113766.db2.gz MQUPHBNYQGRYJV-IONNQARKSA-N 0 3 196.298 1.803 10 0 ADAEHN CCCc1noc([C@H]2CCCN2)n1 36915799 167114136 /nfs/dbraw/zinc/11/41/36/167114136.db2.gz YGNGWEZXIQQGRA-SSDOTTSWSA-N 0 3 181.239 1.447 10 0 ADAEHN CCCc1nnc2scc(CN)n12 77020069 167114262 /nfs/dbraw/zinc/11/42/62/167114262.db2.gz LYVGUTJUVUDCEE-UHFFFAOYSA-N 0 3 196.279 1.202 10 0 ADAEHN CCCc1noc([C@@H]2CCCN2)n1 36915798 167115473 /nfs/dbraw/zinc/11/54/73/167115473.db2.gz YGNGWEZXIQQGRA-ZETCQYMHSA-N 0 3 181.239 1.447 10 0 ADAEHN CCCn1c(C)nc(C)c1N 104907569 167117516 /nfs/dbraw/zinc/11/75/16/167117516.db2.gz JEGSUSPFIVRIPL-UHFFFAOYSA-N 0 3 153.229 1.492 10 0 ADAEHN CCCn1c(C)nnc1[C@H](N)C1CC1 54503986 167117592 /nfs/dbraw/zinc/11/75/92/167117592.db2.gz KDRZTQPPOXSFLY-SECBINFHSA-N 0 3 194.282 1.406 10 0 ADAEHN CCCn1c(C)nnc1[C@H](N)C(C)C 42030408 167117640 /nfs/dbraw/zinc/11/76/40/167117640.db2.gz FBRBIQYLMRSLKG-SECBINFHSA-N 0 3 196.298 1.652 10 0 ADAEHN CCCn1cc([C@H](C)NCC)cn1 43469953 167117963 /nfs/dbraw/zinc/11/79/63/167117963.db2.gz LESUTZRSCBADFH-VIFPVBQESA-N 0 3 181.283 1.964 10 0 ADAEHN CCCn1cc([C@@H](C)NCC)cn1 43469951 167118010 /nfs/dbraw/zinc/11/80/10/167118010.db2.gz LESUTZRSCBADFH-SECBINFHSA-N 0 3 181.283 1.964 10 0 ADAEHN CCCn1c(C)nnc1[C@H](N)CC 42030597 167118113 /nfs/dbraw/zinc/11/81/13/167118113.db2.gz UPNMFFTYMUMARZ-MRVPVSSYSA-N 0 3 182.271 1.406 10 0 ADAEHN CCCn1c(C)cc(C)c(CN)c1=O 62198808 167118125 /nfs/dbraw/zinc/11/81/25/167118125.db2.gz ACLQAIIBHHMVDC-UHFFFAOYSA-N 0 3 194.278 1.334 10 0 ADAEHN CCCn1c(CNC)nc(C)c1C 45205796 167118309 /nfs/dbraw/zinc/11/83/09/167118309.db2.gz GBSMWISLTNYGAF-UHFFFAOYSA-N 0 3 181.283 1.629 10 0 ADAEHN CCCn1cc([C@@H](COC)NC)cn1 43470365 167118333 /nfs/dbraw/zinc/11/83/33/167118333.db2.gz XNUFWZRETUDSSN-SNVBAGLBSA-N 0 3 197.282 1.200 10 0 ADAEHN CCCn1cc(CNC)c(C)n1 2538039 167118374 /nfs/dbraw/zinc/11/83/74/167118374.db2.gz DPGPOGDYXDNGIZ-UHFFFAOYSA-N 0 3 167.256 1.321 10 0 ADAEHN CCCn1c(C)ccc(CN)c1=O 62198842 167118548 /nfs/dbraw/zinc/11/85/48/167118548.db2.gz ASMBZDMPMZNTIM-UHFFFAOYSA-N 0 3 180.251 1.025 10 0 ADAEHN CCCn1c(C)nc(CC)c1N 105025044 167118845 /nfs/dbraw/zinc/11/88/45/167118845.db2.gz AWSLDDWPRJDNFM-UHFFFAOYSA-N 0 3 167.256 1.746 10 0 ADAEHN CCCn1c(C)nnc1[C@@H](N)C(C)C 42030411 167118886 /nfs/dbraw/zinc/11/88/86/167118886.db2.gz FBRBIQYLMRSLKG-VIFPVBQESA-N 0 3 196.298 1.652 10 0 ADAEHN CCCn1c(C)nnc1C(C)(C)N 42030320 167118924 /nfs/dbraw/zinc/11/89/24/167118924.db2.gz XHIJNQPMGGKSCF-UHFFFAOYSA-N 0 3 182.271 1.190 10 0 ADAEHN CCCn1c(CC)nc(C)c1N 105025253 167118972 /nfs/dbraw/zinc/11/89/72/167118972.db2.gz SBIJPYMESZPMLZ-UHFFFAOYSA-N 0 3 167.256 1.746 10 0 ADAEHN CCCn1c(C)nnc1[C@@H](N)C1CC1 54503988 167119269 /nfs/dbraw/zinc/11/92/69/167119269.db2.gz KDRZTQPPOXSFLY-VIFPVBQESA-N 0 3 194.282 1.406 10 0 ADAEHN CCCn1cc(CNC(C)C)cn1 40932626 167119374 /nfs/dbraw/zinc/11/93/74/167119374.db2.gz STLLIJWCQNJEHQ-UHFFFAOYSA-N 0 3 181.283 1.791 10 0 ADAEHN CCCn1cc([C@H](COC)NC)cn1 43470367 167119885 /nfs/dbraw/zinc/11/98/85/167119885.db2.gz XNUFWZRETUDSSN-JTQLQIEISA-N 0 3 197.282 1.200 10 0 ADAEHN CCCn1c(C)nnc1[C@@H](N)CC 42030600 167119993 /nfs/dbraw/zinc/11/99/93/167119993.db2.gz UPNMFFTYMUMARZ-QMMMGPOBSA-N 0 3 182.271 1.406 10 0 ADAEHN CCCn1cnnc1[C@@H](N)CC 54498018 167120090 /nfs/dbraw/zinc/12/00/90/167120090.db2.gz VPTFHBGAXOAHFB-ZETCQYMHSA-N 0 3 168.244 1.098 10 0 ADAEHN CCCn1cnnc1C1(N)CCCC1 54497868 167120436 /nfs/dbraw/zinc/12/04/36/167120436.db2.gz SEMZWWFZCPILNA-UHFFFAOYSA-N 0 3 194.282 1.416 10 0 ADAEHN CCCn1nc(CN)cc1C 26545577 167120520 /nfs/dbraw/zinc/12/05/20/167120520.db2.gz GBYOBSCZUGLPRF-UHFFFAOYSA-N 0 3 153.229 1.060 10 0 ADAEHN CCCn1ccnc1CNC(C)C 22861722 167120594 /nfs/dbraw/zinc/12/05/94/167120594.db2.gz ZGOYVANHXNIQBL-UHFFFAOYSA-N 0 3 181.283 1.791 10 0 ADAEHN CCCn1cnnc1[C@@H](N)C(C)C 54497957 167120766 /nfs/dbraw/zinc/12/07/66/167120766.db2.gz DGMZZHMDRQSULU-QMMMGPOBSA-N 0 3 182.271 1.344 10 0 ADAEHN CCCn1cnnc1[C@H](N)CC 54498017 167120776 /nfs/dbraw/zinc/12/07/76/167120776.db2.gz VPTFHBGAXOAHFB-SSDOTTSWSA-N 0 3 168.244 1.098 10 0 ADAEHN CCCn1ccnc1CNC 4243963 167120878 /nfs/dbraw/zinc/12/08/78/167120878.db2.gz UNWCPHGWHUFFIF-UHFFFAOYSA-N 0 3 153.229 1.013 10 0 ADAEHN CCCn1ccnc1CNCC 4243954 167120910 /nfs/dbraw/zinc/12/09/10/167120910.db2.gz WUPWCOLXGMVZJU-UHFFFAOYSA-N 0 3 167.256 1.403 10 0 ADAEHN CCCn1cnnc1[C@H](N)C1CC1 54504048 167120977 /nfs/dbraw/zinc/12/09/77/167120977.db2.gz RSLUVLSIXFNSAL-MRVPVSSYSA-N 0 3 180.255 1.098 10 0 ADAEHN CCCn1nc(C)cc1CN 26545562 167121516 /nfs/dbraw/zinc/12/15/16/167121516.db2.gz PSCHYVWYIKNEST-UHFFFAOYSA-N 0 3 153.229 1.060 10 0 ADAEHN CCCn1cnnc1[C@@H](N)C1CC1 54504049 167121595 /nfs/dbraw/zinc/12/15/95/167121595.db2.gz RSLUVLSIXFNSAL-QMMMGPOBSA-N 0 3 180.255 1.098 10 0 ADAEHN CCCn1ccnc1CNCC1CC1 45205660 167121682 /nfs/dbraw/zinc/12/16/82/167121682.db2.gz OEEOMWVYOGAEJF-UHFFFAOYSA-N 0 3 193.294 1.793 10 0 ADAEHN CCCn1cnnc1[C@H](N)C(C)C 54497956 167121774 /nfs/dbraw/zinc/12/17/74/167121774.db2.gz DGMZZHMDRQSULU-MRVPVSSYSA-N 0 3 182.271 1.344 10 0 ADAEHN CCCn1cnc(C)c1N 104902264 167121865 /nfs/dbraw/zinc/12/18/65/167121865.db2.gz ASUAHMVJPRHECB-UHFFFAOYSA-N 0 3 139.202 1.184 10 0 ADAEHN CCCn1nc(C)c(CNC)c1C 2538041 167122922 /nfs/dbraw/zinc/12/29/22/167122922.db2.gz NAZSIVYUNFPPCV-UHFFFAOYSA-N 0 3 181.283 1.629 10 0 ADAEHN CCN(C(=O)C(C)(C)N)C1CCCC1 40920738 167123992 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/nfs/dbraw/zinc/02/01/18/168020118.db2.gz ZFSGHOWMGLUFIE-UHFFFAOYSA-N 0 3 183.280 1.059 10 0 ADAEHN CNCc1cnc(OC)c(Cl)c1 51523723 168020131 /nfs/dbraw/zinc/02/01/31/168020131.db2.gz ZTKSYLLRZPFTHN-UHFFFAOYSA-N 0 3 186.642 1.463 10 0 ADAEHN CNCc1cccc2c1OCC2 14988982 168020144 /nfs/dbraw/zinc/02/01/44/168020144.db2.gz WVSLYVGYBIMHJY-UHFFFAOYSA-N 0 3 163.220 1.341 10 0 in-vitro ADAEHN CNCc1cnc(CCOC)s1 42436687 168020162 /nfs/dbraw/zinc/02/01/62/168020162.db2.gz LFGUZWUMCLKPNW-UHFFFAOYSA-N 0 3 186.280 1.051 10 0 ADAEHN CNCc1cnc(N2CCCC2)s1 54899958 168020168 /nfs/dbraw/zinc/02/01/68/168020168.db2.gz NFWBDXGRWGYQCD-UHFFFAOYSA-N 0 3 197.307 1.463 10 0 ADAEHN CNCc1cnc(CC(C)C)nc1 54855531 168020191 /nfs/dbraw/zinc/02/01/91/168020191.db2.gz QQGNBTOWIDITAU-UHFFFAOYSA-N 0 3 179.267 1.395 10 0 ADAEHN CNCc1cccnc1OCC(C)C 51525559 168020268 /nfs/dbraw/zinc/02/02/68/168020268.db2.gz SLAWDYGHKPSNTC-UHFFFAOYSA-N 0 3 194.278 1.836 10 0 ADAEHN CNCc1cccnc1C(F)(F)F 95761252 168020300 /nfs/dbraw/zinc/02/03/00/168020300.db2.gz KIIICNFIYFLDBH-UHFFFAOYSA-N 0 3 190.168 1.820 10 0 ADAEHN CNCc1cnc(C2CCCC2)nc1 54855505 168020305 /nfs/dbraw/zinc/02/03/05/168020305.db2.gz ZFSMTPFRKCVGKA-UHFFFAOYSA-N 0 3 191.278 1.854 10 0 ADAEHN CNCc1cnc(N(C)C)c(Cl)c1 51436848 168020318 /nfs/dbraw/zinc/02/03/18/168020318.db2.gz XOIOFPZMSIMKOO-UHFFFAOYSA-N 0 3 199.685 1.520 10 0 ADAEHN CNCc1cccn2c(C)cnc12 82868592 168020332 /nfs/dbraw/zinc/02/03/32/168020332.db2.gz BAODLVUINLCJJP-UHFFFAOYSA-N 0 3 175.235 1.362 10 0 ADAEHN CNCc1ccoc1Cn1ccnc1 52575372 168020341 /nfs/dbraw/zinc/02/03/41/168020341.db2.gz QTIJJABGICNANG-UHFFFAOYSA-N 0 3 191.234 1.244 10 0 ADAEHN CNCc1cnc([C@H]2CCOC2)s1 51691401 168020352 /nfs/dbraw/zinc/02/03/52/168020352.db2.gz BNCKMAMOVUCGSJ-ZETCQYMHSA-N 0 3 198.291 1.366 10 0 ADAEHN CNCc1ccccc1OCCOC 34658233 168020432 /nfs/dbraw/zinc/02/04/32/168020432.db2.gz SRJXHPLKOYBFJR-UHFFFAOYSA-N 0 3 195.262 1.431 10 0 ADAEHN CNCc1cccc2c1O[C@H](C)C2 82869785 168020447 /nfs/dbraw/zinc/02/04/47/168020447.db2.gz FDMIDTNEEOCJPB-MRVPVSSYSA-N 0 3 177.247 1.729 10 0 ADAEHN CNCc1cn2cccc(Cl)c2n1 76792803 168020512 /nfs/dbraw/zinc/02/05/12/168020512.db2.gz NJDGKKOSCYSPND-UHFFFAOYSA-N 0 3 195.653 1.707 10 0 ADAEHN CNCc1ccnc(C(C)(C)C)n1 54791187 168020534 /nfs/dbraw/zinc/02/05/34/168020534.db2.gz BFAYYSOYZWYULB-UHFFFAOYSA-N 0 3 179.267 1.494 10 0 ADAEHN CNCc1cnc(C)nc1C(C)C 83273350 168020543 /nfs/dbraw/zinc/02/05/43/168020543.db2.gz LFURBIMDJHNSEN-UHFFFAOYSA-N 0 3 179.267 1.628 10 0 ADAEHN CNCc1cnc(-c2ccco2)nc1 54855473 168020559 /nfs/dbraw/zinc/02/05/59/168020559.db2.gz MLWPORJPFNNQMA-UHFFFAOYSA-N 0 3 189.218 1.456 10 0 ADAEHN CNCc1cnc([C@@H]2CCOC2)s1 51691400 168020573 /nfs/dbraw/zinc/02/05/73/168020573.db2.gz BNCKMAMOVUCGSJ-SSDOTTSWSA-N 0 3 198.291 1.366 10 0 ADAEHN CNCc1cnc(N(C)C(C)C)s1 54900954 168020594 /nfs/dbraw/zinc/02/05/94/168020594.db2.gz JARDATLWGPOAPH-UHFFFAOYSA-N 0 3 199.323 1.707 10 0 ADAEHN CNCc1cncc(Cl)c1 95761306 168020607 /nfs/dbraw/zinc/02/06/07/168020607.db2.gz BKFQGIFXRIVBJX-UHFFFAOYSA-N 0 3 156.616 1.454 10 0 ADAEHN CNCc1cccc2c1OCCC2 34936279 168020636 /nfs/dbraw/zinc/02/06/36/168020636.db2.gz VVCGFZWBAXPSIO-UHFFFAOYSA-N 0 3 177.247 1.731 10 0 in-vitro ADAEHN CNCc1cccn2ccnc12 82850311 168020650 /nfs/dbraw/zinc/02/06/50/168020650.db2.gz ZMYCLNWDTOEHQS-UHFFFAOYSA-N 0 3 161.208 1.054 10 0 ADAEHN CNCc1cnccc1Cl 95761367 168020725 /nfs/dbraw/zinc/02/07/25/168020725.db2.gz MPPIMFJEBUWHPS-UHFFFAOYSA-N 0 3 156.616 1.454 10 0 ADAEHN CNCc1cnc(C2CC2)nc1 54855492 168020729 /nfs/dbraw/zinc/02/07/29/168020729.db2.gz PKWYOCMSVWUOJN-UHFFFAOYSA-N 0 3 163.224 1.073 10 0 ADAEHN CNCc1cnc(N(C)C2CC2)s1 54902354 168020745 /nfs/dbraw/zinc/02/07/45/168020745.db2.gz OKSDBKVDQQHWMC-UHFFFAOYSA-N 0 3 197.307 1.461 10 0 ADAEHN CNCc1cn2cc(F)ccc2n1 76792343 168020753 /nfs/dbraw/zinc/02/07/53/168020753.db2.gz GZYMWRRBECFWAE-UHFFFAOYSA-N 0 3 179.198 1.193 10 0 ADAEHN CNCc1cncc(C)c1 82836903 168020779 /nfs/dbraw/zinc/02/07/79/168020779.db2.gz WLGWEXAILDKZJL-UHFFFAOYSA-N 0 3 136.198 1.109 10 0 ADAEHN CNCc1cn(C(C)(C)C)nc1C 57354256 168020799 /nfs/dbraw/zinc/02/07/99/168020799.db2.gz PMCKONVRJKKECT-UHFFFAOYSA-N 0 3 181.283 1.666 10 0 ADAEHN CNCc1cnc(COC)s1 49684739 168020857 /nfs/dbraw/zinc/02/08/57/168020857.db2.gz PACVQSPAJDDNEG-UHFFFAOYSA-N 0 3 172.253 1.009 10 0 ADAEHN CNCc1ccnc(OCC2CC2)c1 51543338 168020866 /nfs/dbraw/zinc/02/08/66/168020866.db2.gz YVVUBOQNGABXLW-UHFFFAOYSA-N 0 3 192.262 1.590 10 0 ADAEHN CNCc1cnc(CSC)s1 54496954 168020887 /nfs/dbraw/zinc/02/08/87/168020887.db2.gz WJBIFAMKPHRJHD-UHFFFAOYSA-N 0 3 188.321 1.726 10 0 ADAEHN CNCc1ccccc1NC(=O)OC 36283475 168020893 /nfs/dbraw/zinc/02/08/93/168020893.db2.gz YKICBQXIDKZCKK-UHFFFAOYSA-N 0 3 194.234 1.584 10 0 ADAEHN CNCc1cnc(C(C)(C)C)nc1 54855458 168020915 /nfs/dbraw/zinc/02/09/15/168020915.db2.gz XDFZGESXZORLCL-UHFFFAOYSA-N 0 3 179.267 1.494 10 0 ADAEHN CNCc1cnccc1N1CCCC1 83278062 168020965 /nfs/dbraw/zinc/02/09/65/168020965.db2.gz BFQKXESNUANMOO-UHFFFAOYSA-N 0 3 191.278 1.401 10 0 ADAEHN CNCc1ccnc(CC(C)C)n1 54791179 168020970 /nfs/dbraw/zinc/02/09/70/168020970.db2.gz GRNOSQOPHKPNFN-UHFFFAOYSA-N 0 3 179.267 1.395 10 0 ADAEHN CNCc1ccoc1Cn1cccn1 52574791 168020988 /nfs/dbraw/zinc/02/09/88/168020988.db2.gz CCWVILVBFRCZGH-UHFFFAOYSA-N 0 3 191.234 1.244 10 0 ADAEHN CNCc1cn2c(C)c(C)sc2n1 76789547 168020991 /nfs/dbraw/zinc/02/09/91/168020991.db2.gz XLXOJPPIGISXFM-UHFFFAOYSA-N 0 3 195.291 1.732 10 0 ADAEHN CNCc1ccnn1-c1ccccc1 58836616 168021008 /nfs/dbraw/zinc/02/10/08/168021008.db2.gz CEEAIVBXMCJTND-UHFFFAOYSA-N 0 3 187.246 1.592 10 0 ADAEHN CNCc1cccc2c1OCOC2 82871208 168021036 /nfs/dbraw/zinc/02/10/36/168021036.db2.gz WGRBKVLVCBHJSK-UHFFFAOYSA-N 0 3 179.219 1.273 10 0 ADAEHN CNCc1ccnc(C2CCCC2)n1 54791169 168021044 /nfs/dbraw/zinc/02/10/44/168021044.db2.gz QGKMPJPJFLQAGH-UHFFFAOYSA-N 0 3 191.278 1.854 10 0 ADAEHN CNCc1cccc2c1O[C@H](C)O2 82871267 168021048 /nfs/dbraw/zinc/02/10/48/168021048.db2.gz BCSMEENWANMMFM-SSDOTTSWSA-N 0 3 179.219 1.523 10 0 ADAEHN CNCc1cnc2cc(OC)ccn12 89202148 168021109 /nfs/dbraw/zinc/02/11/09/168021109.db2.gz JOBRXBUTVMIMLU-UHFFFAOYSA-N 0 3 191.234 1.062 10 0 ADAEHN CNCc1cn(C(C)C)nc1C 11920555 168021139 /nfs/dbraw/zinc/02/11/39/168021139.db2.gz PLHFFSKKCYTUMI-UHFFFAOYSA-N 0 3 167.256 1.492 10 0 ADAEHN CNCc1cnc2cccc(C)n12 82868569 168021180 /nfs/dbraw/zinc/02/11/80/168021180.db2.gz OOVKQPJVPVYOEO-UHFFFAOYSA-N 0 3 175.235 1.362 10 0 ADAEHN CNCc1ccnc(OCC(C)C)c1 51525591 168021186 /nfs/dbraw/zinc/02/11/86/168021186.db2.gz YSLKHKRBLLMSEK-UHFFFAOYSA-N 0 3 194.278 1.836 10 0 ADAEHN CNCc1cccnc1OC(C)(C)C 51527143 168021193 /nfs/dbraw/zinc/02/11/93/168021193.db2.gz UNQQBKQELBLUTN-UHFFFAOYSA-N 0 3 194.278 1.978 10 0 ADAEHN CNCc1cnc(C2CCC2)nc1 83136493 168021219 /nfs/dbraw/zinc/02/12/19/168021219.db2.gz VKYCYTGCUCFEPR-UHFFFAOYSA-N 0 3 177.251 1.464 10 0 ADAEHN CNCc1cnc(C(F)(F)F)cn1 95761461 168021241 /nfs/dbraw/zinc/02/12/41/168021241.db2.gz NFTBAFAEFXIESX-UHFFFAOYSA-N 0 3 191.156 1.215 10 0 ADAEHN CNCc1ccoc1CN(C)C 52422669 168021267 /nfs/dbraw/zinc/02/12/67/168021267.db2.gz CIVIIWSWAZGNLU-UHFFFAOYSA-N 0 3 168.240 1.061 10 0 ADAEHN CNCc1cnc(C2CCC2)nc1C 83278063 168021311 /nfs/dbraw/zinc/02/13/11/168021311.db2.gz OWIMVMWDQQNHNW-UHFFFAOYSA-N 0 3 191.278 1.772 10 0 ADAEHN CNCc1cccc2c1OCCCO2 36167349 168021322 /nfs/dbraw/zinc/02/13/22/168021322.db2.gz CAVAVSFBBIBBEI-UHFFFAOYSA-N 0 3 193.246 1.567 10 0 ADAEHN CNCc1nccn1-c1ccccc1 34936273 168021480 /nfs/dbraw/zinc/02/14/80/168021480.db2.gz IZYNHWOVGJNYQF-UHFFFAOYSA-N 0 3 187.246 1.592 10 0 in-vitro ADAEHN CNCc1cnn(CCC(C)C)c1C 42356127 168021492 /nfs/dbraw/zinc/02/14/92/168021492.db2.gz ITVJHINLQPSSQR-UHFFFAOYSA-N 0 3 195.310 1.957 10 0 ADAEHN CNCc1cnn([C@H](C)C2CC2)c1 40932694 168021531 /nfs/dbraw/zinc/02/15/31/168021531.db2.gz FTCLJKQHFXDDJA-MRVPVSSYSA-N 0 3 179.267 1.574 10 0 ADAEHN CNCc1nc2c([nH]1)CCCC2 39133087 168021653 /nfs/dbraw/zinc/02/16/53/168021653.db2.gz VNJQEPQWJNDJHZ-UHFFFAOYSA-N 0 3 165.240 1.008 10 0 ADAEHN CNCc1nc(-c2ccco2)c[nH]1 36877256 168021669 /nfs/dbraw/zinc/02/16/69/168021669.db2.gz WRSZCIDRENIGSK-UHFFFAOYSA-N 0 3 177.207 1.389 10 0 ADAEHN CNCc1cnn(C(C)(C)C)c1C 42355652 168021709 /nfs/dbraw/zinc/02/17/09/168021709.db2.gz CSKKUJAFEPJCNB-UHFFFAOYSA-N 0 3 181.283 1.666 10 0 ADAEHN CNCc1nc2cccc(F)c2n1C 76043984 168021731 /nfs/dbraw/zinc/02/17/31/168021731.db2.gz YBSFYRPYAYNAMM-UHFFFAOYSA-N 0 3 193.225 1.432 10 0 ADAEHN CNCc1nc2c(s1)C[C@H](C)CC2 41207417 168021754 /nfs/dbraw/zinc/02/17/54/168021754.db2.gz BCMXDDDDJYXLNY-SSDOTTSWSA-N 0 3 196.319 1.987 10 0 ADAEHN CNCc1nc2c(F)c(F)ccc2[nH]1 76043940 168021768 /nfs/dbraw/zinc/02/17/68/168021768.db2.gz KIYIWWRQKSDFHJ-UHFFFAOYSA-N 0 3 197.188 1.561 10 0 ADAEHN CNCc1nc(C2CC2)cs1 3711099 168021930 /nfs/dbraw/zinc/02/19/30/168021930.db2.gz ATLFTVNKVKTNBC-UHFFFAOYSA-N 0 3 168.265 1.740 10 0 ADAEHN CNCc1nc2c(F)cccc2[nH]1 37442391 168022058 /nfs/dbraw/zinc/02/20/58/168022058.db2.gz QGLGOCLBLXEDND-UHFFFAOYSA-N 0 3 179.198 1.421 10 0 ADAEHN CNCc1cnn([C@@H](C)C2CC2)c1C 42356094 168022088 /nfs/dbraw/zinc/02/20/88/168022088.db2.gz YWXSHAZDYGEMLV-QMMMGPOBSA-N 0 3 193.294 1.882 10 0 ADAEHN CNCc1ncc(-c2cc[nH]c2)s1 71506412 168022144 /nfs/dbraw/zinc/02/21/44/168022144.db2.gz KVRDJKDIKIPFDW-UHFFFAOYSA-N 0 3 193.275 1.858 10 0 ADAEHN CNCc1nc2cc(F)ccc2n1C 37439305 168022244 /nfs/dbraw/zinc/02/22/44/168022244.db2.gz DZJKMAMNPXJHIW-UHFFFAOYSA-N 0 3 193.225 1.432 10 0 ADAEHN CNCc1nc2ccc(F)cc2n1C 52124429 168022290 /nfs/dbraw/zinc/02/22/90/168022290.db2.gz FSKPRZUKTBNRCD-UHFFFAOYSA-N 0 3 193.225 1.432 10 0 ADAEHN CNCc1nc2c(s1)CCC2 20441577 168022366 /nfs/dbraw/zinc/02/23/66/168022366.db2.gz NVKJPXVPWJEOEU-UHFFFAOYSA-N 0 3 168.265 1.351 10 0 ADAEHN CNCc1nc2ccc(O)cc2s1 82894660 168022403 /nfs/dbraw/zinc/02/24/03/168022403.db2.gz OEFFUJSJHWUYQB-UHFFFAOYSA-N 0 3 194.259 1.721 10 0 ADAEHN CNCc1nc2c(s1)C[C@@H](C)CC2 41207418 168022478 /nfs/dbraw/zinc/02/24/78/168022478.db2.gz BCMXDDDDJYXLNY-ZETCQYMHSA-N 0 3 196.319 1.987 10 0 ADAEHN CNCc1nc(-c2cccnc2)c[nH]1 36877274 168022482 /nfs/dbraw/zinc/02/24/82/168022482.db2.gz GIRIRVYNBLDVHN-UHFFFAOYSA-N 0 3 188.234 1.191 10 0 ADAEHN CNCc1cnn(C(C)(C)C)c1 37414316 168022502 /nfs/dbraw/zinc/02/25/02/168022502.db2.gz OUQVHAVEMJXRGH-UHFFFAOYSA-N 0 3 167.256 1.358 10 0 ADAEHN CNCc1nc2c(Cl)cccc2[nH]1 37443793 168022530 /nfs/dbraw/zinc/02/25/30/168022530.db2.gz YCYYJHNNVDHVOU-UHFFFAOYSA-N 0 3 195.653 1.936 10 0 ADAEHN CNCc1coc(COC)c1 52602368 168022537 /nfs/dbraw/zinc/02/25/37/168022537.db2.gz KIZMYLWRTZQRHG-UHFFFAOYSA-N 0 3 155.197 1.145 10 0 ADAEHN CNCc1nc(C(C)(C)C)c[nH]1 36877328 168022552 /nfs/dbraw/zinc/02/25/52/168022552.db2.gz SGFOQDSPAYXSNO-UHFFFAOYSA-N 0 3 167.256 1.427 10 0 ADAEHN CNCc1nc(C)n2ccccc12 20263378 168022584 /nfs/dbraw/zinc/02/25/84/168022584.db2.gz RRCMYQHPTXZPLR-UHFFFAOYSA-N 0 3 175.235 1.362 10 0 ADAEHN CNCc1nc2cc(C)ccc2n1C 37437885 168022640 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184.239 1.081 10 0 ADAEHN CON(C)[C@@H](CN)c1ccc(C)cc1 42906495 168199736 /nfs/dbraw/zinc/19/97/36/168199736.db2.gz AKFCPGXRIBDHBS-NSHDSACASA-N 0 3 194.278 1.488 10 0 ADAEHN CON(C)[C@@H](CN)c1ccccc1C 43035704 168199774 /nfs/dbraw/zinc/19/97/74/168199774.db2.gz FWXHUXWSFQQYBJ-NSHDSACASA-N 0 3 194.278 1.488 10 0 ADAEHN CON(C)[C@H](CN)c1ccsc1 43118445 168199787 /nfs/dbraw/zinc/19/97/87/168199787.db2.gz LWTDKBGWOUZGOH-MRVPVSSYSA-N 0 3 186.280 1.241 10 0 ADAEHN CON(C)[C@@H](CN)c1ccccc1F 43044088 168199805 /nfs/dbraw/zinc/19/98/05/168199805.db2.gz IJYMDVRPUUSTEZ-JTQLQIEISA-N 0 3 198.241 1.319 10 0 ADAEHN CON(C)[C@H](CN)c1ccccc1 42899302 168199979 /nfs/dbraw/zinc/19/99/79/168199979.db2.gz QRAMELPILXSHLB-SNVBAGLBSA-N 0 3 180.251 1.180 10 0 ADAEHN CON1[N+]([O-])=NC(C)(C)C1(C)C 39089828 168200164 /nfs/dbraw/zinc/20/01/64/168200164.db2.gz LVDDCCVOBLUIQF-UHFFFAOYSA-N 0 3 173.216 1.298 10 0 ADAEHN CON(C)[C@H](CN)c1cccc(F)c1 42972056 168200199 /nfs/dbraw/zinc/20/01/99/168200199.db2.gz 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ADAEHN Cn1ccc(-c2oncc2CN)c1 71497174 169044335 /nfs/dbraw/zinc/04/43/35/169044335.db2.gz WPIZNCZXWCWEQI-UHFFFAOYSA-N 0 3 177.207 1.139 10 0 ADAEHN Cn1ccc(CN[C@H]2C[C@@](C)(O)C2)c1 334951904 169044351 /nfs/dbraw/zinc/04/43/51/169044351.db2.gz BHGNDQCWOCHGSF-PHIMTYICSA-N 0 3 194.278 1.028 10 0 ADAEHN Cn1ccc(C2(N)CCCC2)n1 96862370 169044521 /nfs/dbraw/zinc/04/45/21/169044521.db2.gz NSMLHIPSXXYWTI-UHFFFAOYSA-N 0 3 165.240 1.148 10 0 ADAEHN Cn1ccc(C(=O)[C@@H]2CCCCN2)c1 82588613 169045288 /nfs/dbraw/zinc/04/52/88/169045288.db2.gz CWYRCEVVMKCPRH-JTQLQIEISA-N 0 3 192.262 1.350 10 0 ADAEHN Cn1ccc(CN2CCCC2(C)C)n1 334309409 169045351 /nfs/dbraw/zinc/04/53/51/169045351.db2.gz MPORAJBBBUMUQQ-UHFFFAOYSA-N 0 3 193.294 1.795 10 0 ADAEHN Cn1ccc(-c2nc(CN)cs2)c1 71506409 169045457 /nfs/dbraw/zinc/04/54/57/169045457.db2.gz FELLUCXNLPQYIN-UHFFFAOYSA-N 0 3 193.275 1.607 10 0 ADAEHN Cn1ccc([C@@H]2CSCCN2)c1 71499183 169046343 /nfs/dbraw/zinc/04/63/43/169046343.db2.gz IESANMFUTLLELY-VIFPVBQESA-N 0 3 182.292 1.403 10 0 ADAEHN Cn1ccc([C@@H]2CNC(C)(C)CO2)c1 71506833 169046388 /nfs/dbraw/zinc/04/63/88/169046388.db2.gz FDGMXXFWOBAGAM-JTQLQIEISA-N 0 3 194.278 1.465 10 0 ADAEHN Cn1ccc([C@H]2CSCCN2)c1 71499185 169047155 /nfs/dbraw/zinc/04/71/55/169047155.db2.gz IESANMFUTLLELY-SECBINFHSA-N 0 3 182.292 1.403 10 0 ADAEHN Cn1ccc([C@H]2CNC(C)(C)CO2)c1 71506834 169047263 /nfs/dbraw/zinc/04/72/63/169047263.db2.gz FDGMXXFWOBAGAM-SNVBAGLBSA-N 0 3 194.278 1.465 10 0 ADAEHN Cn1ccc2cc(C(=N)NO)ccc21 75848071 169047487 /nfs/dbraw/zinc/04/74/87/169047487.db2.gz WIAWYRNSTJZKND-UHFFFAOYSA-N 0 3 189.218 1.482 10 0 ADAEHN Cn1cccc1[C@@H](N)[C@@H]1CCCO1 11848721 169048954 /nfs/dbraw/zinc/04/89/54/169048954.db2.gz GBOPDZBTUBOYBB-VHSXEESVSA-N 0 3 180.251 1.204 10 0 ADAEHN Cn1cccc1[C@@H](N)[C@H]1CCCO1 11848723 169049013 /nfs/dbraw/zinc/04/90/13/169049013.db2.gz GBOPDZBTUBOYBB-NXEZZACHSA-N 0 3 180.251 1.204 10 0 ADAEHN Cn1cccc1[C@@H](N)c1ccncc1 53995176 169049204 /nfs/dbraw/zinc/04/92/04/169049204.db2.gz KWRHQYROLBYVCD-NSHDSACASA-N 0 3 187.246 1.468 10 0 ADAEHN Cn1cccc1[C@H](N)c1ccncc1 53995175 169049462 /nfs/dbraw/zinc/04/94/62/169049462.db2.gz KWRHQYROLBYVCD-LLVKDONJSA-N 0 3 187.246 1.468 10 0 ADAEHN Cn1cccc1[C@@H](N)c1cccnc1 11848705 169049558 /nfs/dbraw/zinc/04/95/58/169049558.db2.gz RRPSGBIANHQDEP-NSHDSACASA-N 0 3 187.246 1.468 10 0 ADAEHN Cn1cccc1CN[C@H]1C[C@@](C)(O)C1 335302314 169050085 /nfs/dbraw/zinc/05/00/85/169050085.db2.gz XMANLPFUVXBFAD-JGZJWPJOSA-N 0 3 194.278 1.028 10 0 ADAEHN Cn1cccc1[C@H](N)[C@H]1CCCO1 11848724 169050087 /nfs/dbraw/zinc/05/00/87/169050087.db2.gz GBOPDZBTUBOYBB-ZJUUUORDSA-N 0 3 180.251 1.204 10 0 ADAEHN Cn1cccc1CN[C@H]1CC12CC2 335285307 169050117 /nfs/dbraw/zinc/05/01/17/169050117.db2.gz VFCVWJFDQFOEOC-JTQLQIEISA-N 0 3 176.263 1.667 10 0 ADAEHN Cn1cccc1CN[C@@H]1CC12CC2 335285308 169050132 /nfs/dbraw/zinc/05/01/32/169050132.db2.gz VFCVWJFDQFOEOC-SNVBAGLBSA-N 0 3 176.263 1.667 10 0 ADAEHN Cn1cccc1CNc1nccn1C 334856312 169050246 /nfs/dbraw/zinc/05/02/46/169050246.db2.gz PMMWVOSLNVQJRA-UHFFFAOYSA-N 0 3 190.250 1.371 10 0 ADAEHN Cn1cccc1[C@H](N)[C@@H]1CCCO1 11848722 169050263 /nfs/dbraw/zinc/05/02/63/169050263.db2.gz GBOPDZBTUBOYBB-UWVGGRQHSA-N 0 3 180.251 1.204 10 0 ADAEHN Cn1ccn(C)c1=Nc1ccccc1 2541008 169050287 /nfs/dbraw/zinc/05/02/87/169050287.db2.gz RIXKTVYLFIQMFW-UHFFFAOYSA-N 0 3 187.246 1.596 10 0 ADAEHN Cn1cccc1[C@H](N)c1cccnc1 11848706 169050566 /nfs/dbraw/zinc/05/05/66/169050566.db2.gz RRPSGBIANHQDEP-LLVKDONJSA-N 0 3 187.246 1.468 10 0 ADAEHN Cn1ccnc1C1(N)CCCCCC1 33487449 169050803 /nfs/dbraw/zinc/05/08/03/169050803.db2.gz LOOILYALQXJCHE-UHFFFAOYSA-N 0 3 193.294 1.928 10 0 ADAEHN Cn1ccnc1C[C@H](N)c1ccco1 82389623 169051007 /nfs/dbraw/zinc/05/10/07/169051007.db2.gz FNBCFSBZNCUSQJ-QMMMGPOBSA-N 0 3 191.234 1.256 10 0 ADAEHN Cn1ccnc1CN[C@H]1C[C@@H]2C[C@@H]2C1 306911821 169051091 /nfs/dbraw/zinc/05/10/91/169051091.db2.gz RHXJRTCAMHNQSF-ILWJIGKKSA-N 0 3 191.278 1.308 10 0 ADAEHN Cn1ccnc1CN[C@@H]1CC=CCC1 80123423 169051121 /nfs/dbraw/zinc/05/11/21/169051121.db2.gz FGHBNIJJGHCTMA-SNVBAGLBSA-N 0 3 191.278 1.618 10 0 ADAEHN Cn1ccnc1CNCC(C)(C)C 40493699 169051151 /nfs/dbraw/zinc/05/11/51/169051151.db2.gz CGBCEIUTZPTMKB-UHFFFAOYSA-N 0 3 181.283 1.556 10 0 ADAEHN Cn1ccnc1CN[C@H]1CC=CCC1 80123416 169051175 /nfs/dbraw/zinc/05/11/75/169051175.db2.gz FGHBNIJJGHCTMA-JTQLQIEISA-N 0 3 191.278 1.618 10 0 ADAEHN Cn1ccnc1NC1CCOCC1 50605926 169051264 /nfs/dbraw/zinc/05/12/64/169051264.db2.gz COQPDTWIEKMVMC-UHFFFAOYSA-N 0 3 181.239 1.011 10 0 ADAEHN Cn1ccnc1NCC(C)(C)C 50606178 169051318 /nfs/dbraw/zinc/05/13/18/169051318.db2.gz LKEZJTZBSNRVGE-UHFFFAOYSA-N 0 3 167.256 1.878 10 0 ADAEHN Cn1ccnc1NC1CCCC1 50605591 169051366 /nfs/dbraw/zinc/05/13/66/169051366.db2.gz PQGXUIJBQXEDOK-UHFFFAOYSA-N 0 3 165.240 1.775 10 0 ADAEHN Cn1ccnc1C1(N)CCCC1 33487357 169051397 /nfs/dbraw/zinc/05/13/97/169051397.db2.gz PMCSOKFRRGYFQN-UHFFFAOYSA-N 0 3 165.240 1.148 10 0 ADAEHN Cn1ccnc1C1(N)CCCCC1 33487395 169051502 /nfs/dbraw/zinc/05/15/02/169051502.db2.gz BGJCFOXSUDXCNG-UHFFFAOYSA-N 0 3 179.267 1.538 10 0 ADAEHN Cn1ccnc1NC1CCC(O)CC1 50605606 169051526 /nfs/dbraw/zinc/05/15/26/169051526.db2.gz LHUYHTAOJQXBDL-UHFFFAOYSA-N 0 3 195.266 1.136 10 0 ADAEHN Cn1ccnc1CN1CCCC1(C)C 336555507 169051548 /nfs/dbraw/zinc/05/15/48/169051548.db2.gz RUDADQAPLONMMM-UHFFFAOYSA-N 0 3 193.294 1.795 10 0 ADAEHN Cn1ccnc1CNC1CCCC1 22861695 169051570 /nfs/dbraw/zinc/05/15/70/169051570.db2.gz YNNCXVCMSXHEMW-UHFFFAOYSA-N 0 3 179.267 1.452 10 0 ADAEHN Cn1ccnc1CNC(C)(C)C 35369992 169051836 /nfs/dbraw/zinc/05/18/36/169051836.db2.gz CJANXEBBTUUSBH-UHFFFAOYSA-N 0 3 167.256 1.308 10 0 ADAEHN Cn1ccnc1C[C@@H](N)c1ccco1 82389624 169051950 /nfs/dbraw/zinc/05/19/50/169051950.db2.gz FNBCFSBZNCUSQJ-MRVPVSSYSA-N 0 3 191.234 1.256 10 0 ADAEHN Cn1ccnc1CNC1CCCCC1 22861829 169052124 /nfs/dbraw/zinc/05/21/24/169052124.db2.gz CNQILJBMYVAFQJ-UHFFFAOYSA-N 0 3 193.294 1.842 10 0 ADAEHN Cn1ccnc1CNC1(C)CCCC1 42187217 169052673 /nfs/dbraw/zinc/05/26/73/169052673.db2.gz ZNPLEBHVMQTBDZ-UHFFFAOYSA-N 0 3 193.294 1.842 10 0 ADAEHN Cn1ccnc1NCC1CCC1 50605786 169052840 /nfs/dbraw/zinc/05/28/40/169052840.db2.gz SBXKPTORSNYQSU-UHFFFAOYSA-N 0 3 165.240 1.632 10 0 ADAEHN Cn1ccnc1NCC1CC1 8699311 169052854 /nfs/dbraw/zinc/05/28/54/169052854.db2.gz LTSFBLAURORTRU-UHFFFAOYSA-N 0 3 151.213 1.242 10 0 ADAEHN Cn1ccnc1NC1CCC1 52211306 169053018 /nfs/dbraw/zinc/05/30/18/169053018.db2.gz POWHTFVOIYNQJO-UHFFFAOYSA-N 0 3 151.213 1.385 10 0 ADAEHN Cn1ccnc1CNc1ccncc1 70853908 169053026 /nfs/dbraw/zinc/05/30/26/169053026.db2.gz GNODBHXMHFTGBR-UHFFFAOYSA-N 0 3 188.234 1.427 10 0 ADAEHN Cn1ccnc1N[C@@H]1CCCC[C@@H]1O 52006177 169053126 /nfs/dbraw/zinc/05/31/26/169053126.db2.gz ROPGNEDFGUEJCO-BDAKNGLRSA-N 0 3 195.266 1.136 10 0 ADAEHN Cn1ccnc1N[C@H]1CCCC[C@H]1O 52006185 169053241 /nfs/dbraw/zinc/05/32/41/169053241.db2.gz ROPGNEDFGUEJCO-DTWKUNHWSA-N 0 3 195.266 1.136 10 0 ADAEHN Cn1ccnc1NC[C@@H]1CCCO1 50605745 169053324 /nfs/dbraw/zinc/05/33/24/169053324.db2.gz NJYDUCJXRJBZPR-QMMMGPOBSA-N 0 3 181.239 1.011 10 0 ADAEHN Cn1ccnc1NC[C@@H]1CCCCO1 50606528 169053373 /nfs/dbraw/zinc/05/33/73/169053373.db2.gz BDXKFIOUVOQHSU-VIFPVBQESA-N 0 3 195.266 1.401 10 0 ADAEHN Cn1ccnc1NC[C@@H]1CCCOC1 50606102 169053612 /nfs/dbraw/zinc/05/36/12/169053612.db2.gz ZGSLBOPDRRBMMR-VIFPVBQESA-N 0 3 195.266 1.259 10 0 ADAEHN Cn1ccnc1NC[C@H]1CCCOC1 50606104 169053644 /nfs/dbraw/zinc/05/36/44/169053644.db2.gz ZGSLBOPDRRBMMR-SECBINFHSA-N 0 3 195.266 1.259 10 0 ADAEHN Cn1ccnc1N[C@@H]1CC1(C)C 50606644 169053937 /nfs/dbraw/zinc/05/39/37/169053937.db2.gz SBTIDCGSSFHNON-SSDOTTSWSA-N 0 3 165.240 1.631 10 0 ADAEHN Cn1ccnc1NCc1cccnc1 8699743 169053983 /nfs/dbraw/zinc/05/39/83/169053983.db2.gz UTHRNRZGNNEOAL-UHFFFAOYSA-N 0 3 188.234 1.427 10 0 ADAEHN Cn1ccnc1NCc1ccncc1 50605764 169054028 /nfs/dbraw/zinc/05/40/28/169054028.db2.gz NEWWVTWGDIHSGZ-UHFFFAOYSA-N 0 3 188.234 1.427 10 0 ADAEHN Cn1ccnc1NC[C@H]1CCCCO1 50606531 169054036 /nfs/dbraw/zinc/05/40/36/169054036.db2.gz BDXKFIOUVOQHSU-SECBINFHSA-N 0 3 195.266 1.401 10 0 ADAEHN Cn1ccnc1NCc1ccccn1 50605731 169054104 /nfs/dbraw/zinc/05/41/04/169054104.db2.gz OBWBYFRWBDVYFL-UHFFFAOYSA-N 0 3 188.234 1.427 10 0 ADAEHN Cn1ccnc1N[C@H]1CCCC[C@@H]1O 52006181 169054129 /nfs/dbraw/zinc/05/41/29/169054129.db2.gz ROPGNEDFGUEJCO-IUCAKERBSA-N 0 3 195.266 1.136 10 0 ADAEHN Cn1ccnc1Nc1cccc(N)c1 50605516 169054142 /nfs/dbraw/zinc/05/41/42/169054142.db2.gz UAGKRZYEAIRWKR-UHFFFAOYSA-N 0 3 188.234 1.746 10 0 ADAEHN Cn1ccnc1N[C@H]1CC1(C)C 50606641 169054300 /nfs/dbraw/zinc/05/43/00/169054300.db2.gz SBTIDCGSSFHNON-ZETCQYMHSA-N 0 3 165.240 1.631 10 0 ADAEHN Cn1ccnc1NC[C@H]1CCCO1 50605748 169054334 /nfs/dbraw/zinc/05/43/34/169054334.db2.gz NJYDUCJXRJBZPR-MRVPVSSYSA-N 0 3 181.239 1.011 10 0 ADAEHN Cn1ccnc1N[C@@H]1CCCC[C@H]1O 52006183 169054531 /nfs/dbraw/zinc/05/45/31/169054531.db2.gz ROPGNEDFGUEJCO-RKDXNWHRSA-N 0 3 195.266 1.136 10 0 ADAEHN Cn1cnc([C@H]2CCCCN2)c1 82851759 169054916 /nfs/dbraw/zinc/05/49/16/169054916.db2.gz NOTODIBKJOUYQU-MRVPVSSYSA-N 0 3 165.240 1.235 10 0 ADAEHN Cn1cnc([C@@H]2CCCCN2)c1 82851758 169055546 /nfs/dbraw/zinc/05/55/46/169055546.db2.gz NOTODIBKJOUYQU-QMMMGPOBSA-N 0 3 165.240 1.235 10 0 ADAEHN Cn1cnc(C2(N)CCCC2)c1 82403360 169055583 /nfs/dbraw/zinc/05/55/83/169055583.db2.gz GIQMQLRIXBMMKG-UHFFFAOYSA-N 0 3 165.240 1.148 10 0 ADAEHN Cn1cncc1CN1CC[C@@H]1C1CC1 336216190 169057350 /nfs/dbraw/zinc/05/73/50/169057350.db2.gz HZUFFBDZGDFBKD-LLVKDONJSA-N 0 3 191.278 1.404 10 0 ADAEHN Cn1cncc1CN1CCCC1(C)C 336556122 169057413 /nfs/dbraw/zinc/05/74/13/169057413.db2.gz IVOHMJPQQUDARB-UHFFFAOYSA-N 0 3 193.294 1.795 10 0 ADAEHN Cn1cncc1CN[C@H]1CC12CC2 335284977 169057429 /nfs/dbraw/zinc/05/74/29/169057429.db2.gz PSRWPGDYICMDAM-VIFPVBQESA-N 0 3 177.251 1.062 10 0 ADAEHN Cn1cncc1-c1nc(CN)cs1 83342140 169058361 /nfs/dbraw/zinc/05/83/61/169058361.db2.gz YPAGPROIPUHUGB-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN Cn1cncc1CN[C@@H]1CC12CC2 335284976 169058781 /nfs/dbraw/zinc/05/87/81/169058781.db2.gz PSRWPGDYICMDAM-SECBINFHSA-N 0 3 177.251 1.062 10 0 ADAEHN Cn1cncc1CN1CC[C@H]1C1CC1 336216191 169058853 /nfs/dbraw/zinc/05/88/53/169058853.db2.gz HZUFFBDZGDFBKD-NSHDSACASA-N 0 3 191.278 1.404 10 0 ADAEHN Cn1cnnc1C1(N)CCCCCC1 54497354 169059545 /nfs/dbraw/zinc/05/95/45/169059545.db2.gz DLLGMCQUBRUFEB-UHFFFAOYSA-N 0 3 194.282 1.323 10 0 ADAEHN Cn1cnnc1[C@@H](N)C1CCCCC1 54497433 169059963 /nfs/dbraw/zinc/05/99/63/169059963.db2.gz KPCRLULKGAVYDW-VIFPVBQESA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1cnnc1[C@@H]1CCCCCN1 75868857 169060096 /nfs/dbraw/zinc/06/00/96/169060096.db2.gz CPINTJOCGHZIRE-QMMMGPOBSA-N 0 3 180.255 1.020 10 0 ADAEHN Cn1cnnc1[C@H](N)C1CCCCC1 54497431 169060126 /nfs/dbraw/zinc/06/01/26/169060126.db2.gz KPCRLULKGAVYDW-SECBINFHSA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1cnnc1[C@H]1CCCCCN1 75868858 169060271 /nfs/dbraw/zinc/06/02/71/169060271.db2.gz CPINTJOCGHZIRE-MRVPVSSYSA-N 0 3 180.255 1.020 10 0 ADAEHN Cn1nc(C(C)(C)C)cc1CN 51943288 169060853 /nfs/dbraw/zinc/06/08/53/169060853.db2.gz RBUPNPJAMUJKAN-UHFFFAOYSA-N 0 3 167.256 1.176 10 0 ADAEHN Cn1nc(CN)c2cc(Cl)ccc21 82908395 169060887 /nfs/dbraw/zinc/06/08/87/169060887.db2.gz ZNANCENIUZCFCA-UHFFFAOYSA-N 0 3 195.653 1.685 10 0 ADAEHN Cn1nc(CN)cc1-c1cccs1 20270456 169061236 /nfs/dbraw/zinc/06/12/36/169061236.db2.gz ITCTUCZOMLKOIW-UHFFFAOYSA-N 0 3 193.275 1.607 10 0 ADAEHN Cn1nc(CN)cc1C(C)(C)C 26510670 169061387 /nfs/dbraw/zinc/06/13/87/169061387.db2.gz SCYBOCINMWSJQQ-UHFFFAOYSA-N 0 3 167.256 1.176 10 0 ADAEHN Cn1nc(CN)c2cc(F)ccc21 82871083 169061477 /nfs/dbraw/zinc/06/14/77/169061477.db2.gz FKIJFHFOJGPDJX-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN Cn1nc(C(C)(C)C)c2c1CCNC2 82819238 169061639 /nfs/dbraw/zinc/06/16/39/169061639.db2.gz MXWWELILPOMHFR-UHFFFAOYSA-N 0 3 193.294 1.363 10 0 ADAEHN Cn1ncc(-c2ccccc2)c1CN 75844955 169063705 /nfs/dbraw/zinc/06/37/05/169063705.db2.gz VHZBEYIDIXFSPO-UHFFFAOYSA-N 0 3 187.246 1.546 10 0 ADAEHN Cn1ncc(Cl)c1[C@@H]1CCCCN1 75869341 169064530 /nfs/dbraw/zinc/06/45/30/169064530.db2.gz HGTZIAGQIZSKBN-QMMMGPOBSA-N 0 3 199.685 1.888 10 0 ADAEHN Cn1ncc(Cl)c1[C@H]1CCCCN1 75869342 169065088 /nfs/dbraw/zinc/06/50/88/169065088.db2.gz HGTZIAGQIZSKBN-MRVPVSSYSA-N 0 3 199.685 1.888 10 0 ADAEHN Cn1ncc(Cl)c1[C@H]1CCCN1 75868483 169065877 /nfs/dbraw/zinc/06/58/77/169065877.db2.gz ZKYHYHOYIZMXSL-SSDOTTSWSA-N 0 3 185.658 1.498 10 0 ADAEHN Cn1ncc(Cl)c1[C@@H]1CCCN1 75868482 169066276 /nfs/dbraw/zinc/06/62/76/169066276.db2.gz ZKYHYHOYIZMXSL-ZETCQYMHSA-N 0 3 185.658 1.498 10 0 ADAEHN Cn1ncc2ccc(F)c(CN)c21 75844936 169066792 /nfs/dbraw/zinc/06/67/92/169066792.db2.gz HQTJJHVMEFVVFQ-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN Cn1nnc(CN)c1C1CCCCC1 62298886 169067241 /nfs/dbraw/zinc/06/72/41/169067241.db2.gz FKLHUPZFTHCEER-UHFFFAOYSA-N 0 3 194.282 1.322 10 0 ADAEHN Cn1ncnc1[C@@H](N)C1CCCCC1 54498592 169067351 /nfs/dbraw/zinc/06/73/51/169067351.db2.gz DLOSYNDTNRPALE-VIFPVBQESA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1nnc(CN)c1-c1cccs1 62298898 169067385 /nfs/dbraw/zinc/06/73/85/169067385.db2.gz XIFDIGLXFLOTKS-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN Cn1ncnc1[C@H](N)C1CCCCC1 54498591 169067908 /nfs/dbraw/zinc/06/79/08/169067908.db2.gz DLOSYNDTNRPALE-SECBINFHSA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1nncc1CN1CCCC1(C)C 335319637 169069239 /nfs/dbraw/zinc/06/92/39/169069239.db2.gz RGFXKPUPRKBFDR-UHFFFAOYSA-N 0 3 194.282 1.190 10 0 ADAEHN FC(F)(F)C1CC(NC2COC2)C1 307733572 169070879 /nfs/dbraw/zinc/07/08/79/169070879.db2.gz SBTGRAOBXJNWBE-UHFFFAOYSA-N 0 3 195.184 1.316 10 0 ADAEHN FC(F)(F)CCNC1CSC1 76630033 169071182 /nfs/dbraw/zinc/07/11/82/169071182.db2.gz JZIOMOUYKYFOKM-UHFFFAOYSA-N 0 3 185.214 1.644 10 0 ADAEHN FC(F)(F)[C@@H]1NCCc2[nH]cnc21 32188269 169072236 /nfs/dbraw/zinc/07/22/36/169072236.db2.gz DQBNBIIKBRHTSA-ZCFIWIBFSA-N 0 3 191.156 1.159 10 0 ADAEHN FC(F)(F)c1cc2c([nH]1)CNCC2 82390658 169072309 /nfs/dbraw/zinc/07/23/09/169072309.db2.gz MQMJZBQHVGPYST-UHFFFAOYSA-N 0 3 190.168 1.679 10 0 ADAEHN FC(F)(F)[C@H]1NCCc2[nH]cnc21 32188271 169072340 /nfs/dbraw/zinc/07/23/40/169072340.db2.gz DQBNBIIKBRHTSA-LURJTMIESA-N 0 3 191.156 1.159 10 0 ADAEHN FC(F)(F)c1cc2c([nH]1)CCNC2 82390655 169072660 /nfs/dbraw/zinc/07/26/60/169072660.db2.gz LLYGICWKMHJOHX-UHFFFAOYSA-N 0 3 190.168 1.679 10 0 ADAEHN FC(F)(F)c1cc2n(c1)CCNC2 82390656 169072687 /nfs/dbraw/zinc/07/26/87/169072687.db2.gz GIDDVLKLRSXMRQ-UHFFFAOYSA-N 0 3 190.168 1.610 10 0 ADAEHN FC(F)(F)c1cc2c([nH]1)CNC2 82398940 169072989 /nfs/dbraw/zinc/07/29/89/169072989.db2.gz IXKFHVGQGOLSRX-UHFFFAOYSA-N 0 3 176.141 1.637 10 0 ADAEHN FC(F)(F)c1ccc2n1CCNC2 22007148 169073135 /nfs/dbraw/zinc/07/31/35/169073135.db2.gz YLABAHXUSCWXFY-UHFFFAOYSA-N 0 3 190.168 1.610 10 0 ADAEHN FC(F)n1cc(CNC2CC2)cn1 40544388 169074301 /nfs/dbraw/zinc/07/43/01/169074301.db2.gz XPTBIWYTTHEREV-UHFFFAOYSA-N 0 3 187.193 1.530 10 0 ADAEHN FC1(F)CCC[C@@H]1CNC1COC1 306738553 169075725 /nfs/dbraw/zinc/07/57/25/169075725.db2.gz AHHHYOZEGAMZOT-SSDOTTSWSA-N 0 3 191.221 1.410 10 0 ADAEHN FC1(F)CCC(NC2COC2)CC1 307537507 169075870 /nfs/dbraw/zinc/07/58/70/169075870.db2.gz OTXJIVPJRPOHOO-UHFFFAOYSA-N 0 3 191.221 1.553 10 0 ADAEHN FC1(F)CCC[C@@H](NC2COC2)C1 306436285 169075984 /nfs/dbraw/zinc/07/59/84/169075984.db2.gz GKNKFQYZPBJGFD-SSDOTTSWSA-N 0 3 191.221 1.553 10 0 ADAEHN FC1(F)CC[C@@H](CNC2COC2)C1 300776440 169076077 /nfs/dbraw/zinc/07/60/77/169076077.db2.gz ABRSLEVDYFHSKD-SSDOTTSWSA-N 0 3 191.221 1.410 10 0 ADAEHN FC1(F)CC(CNC2COC2)C1 307388047 169076482 /nfs/dbraw/zinc/07/64/82/169076482.db2.gz FZPGFXCIGRYONF-UHFFFAOYSA-N 0 3 177.194 1.020 10 0 ADAEHN FC1(F)CC[C@H](CNC2COC2)C1 300776442 169076718 /nfs/dbraw/zinc/07/67/18/169076718.db2.gz ABRSLEVDYFHSKD-ZETCQYMHSA-N 0 3 191.221 1.410 10 0 ADAEHN FC1(F)CCC[C@H]1CNC1COC1 306738554 169076923 /nfs/dbraw/zinc/07/69/23/169076923.db2.gz AHHHYOZEGAMZOT-ZETCQYMHSA-N 0 3 191.221 1.410 10 0 ADAEHN FC1(F)CCC[C@H](NC2COC2)C1 306436286 169076939 /nfs/dbraw/zinc/07/69/39/169076939.db2.gz GKNKFQYZPBJGFD-ZETCQYMHSA-N 0 3 191.221 1.553 10 0 ADAEHN FC[C@H]1CCCN1C1CCC1 306846808 169077481 /nfs/dbraw/zinc/07/74/81/169077481.db2.gz KJKAENGKEBIBBE-SECBINFHSA-N 0 3 157.232 1.973 10 0 ADAEHN FC[C@H]1CCCN1C[C@H]1CCCO1 306470049 169077510 /nfs/dbraw/zinc/07/75/10/169077510.db2.gz QHIHZKHASDZEHE-NXEZZACHSA-N 0 3 187.258 1.599 10 0 ADAEHN FC[C@@H]1CNCc2ccsc21 91305637 169077558 /nfs/dbraw/zinc/07/75/58/169077558.db2.gz NKVMVGJMQQFJRS-SSDOTTSWSA-N 0 3 171.240 1.904 10 0 ADAEHN FC[C@@H]1CCCN1C1CCC1 306846809 169077630 /nfs/dbraw/zinc/07/76/30/169077630.db2.gz KJKAENGKEBIBBE-VIFPVBQESA-N 0 3 157.232 1.973 10 0 ADAEHN FCCCN1C[C@@H]2C[C@H]1CS2 334784670 169077815 /nfs/dbraw/zinc/07/78/15/169077815.db2.gz DUDFTUFVFLJLFP-YUMQZZPRSA-N 0 3 175.272 1.536 10 0 ADAEHN FC[C@@H]1CCCN1C[C@H]1CCCO1 306470051 169077929 /nfs/dbraw/zinc/07/79/29/169077929.db2.gz QHIHZKHASDZEHE-VHSXEESVSA-N 0 3 187.258 1.599 10 0 ADAEHN FCCCN1CCCOCC1 306459869 169078044 /nfs/dbraw/zinc/07/80/44/169078044.db2.gz DVACTYNFMRYPDH-UHFFFAOYSA-N 0 3 161.220 1.068 10 0 ADAEHN 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FC[C@H]1CCCN1C[C@@H]1CCCO1 306470052 169079270 /nfs/dbraw/zinc/07/92/70/169079270.db2.gz QHIHZKHASDZEHE-ZJUUUORDSA-N 0 3 187.258 1.599 10 0 ADAEHN FC[C@@H]1CCCN1[C@H]1CCOC1 306803814 169079347 /nfs/dbraw/zinc/07/93/47/169079347.db2.gz WKHNUCHLZDESEL-IUCAKERBSA-N 0 3 173.231 1.209 10 0 ADAEHN FC[C@H]1CCCN1[C@@H]1CCOC1 306803815 169079864 /nfs/dbraw/zinc/07/98/64/169079864.db2.gz WKHNUCHLZDESEL-RKDXNWHRSA-N 0 3 173.231 1.209 10 0 ADAEHN FC[C@H]1CCCN1[C@H]1CCOC1 306803812 169079880 /nfs/dbraw/zinc/07/98/80/169079880.db2.gz WKHNUCHLZDESEL-BDAKNGLRSA-N 0 3 173.231 1.209 10 0 ADAEHN FC[C@H]1CNCc2ccsc21 91305635 169080067 /nfs/dbraw/zinc/08/00/67/169080067.db2.gz NKVMVGJMQQFJRS-ZETCQYMHSA-N 0 3 171.240 1.904 10 0 ADAEHN F[C@]12CNC[C@@]1(c1ccccc1)C2 40423337 169080243 /nfs/dbraw/zinc/08/02/43/169080243.db2.gz OSYUYUPNSGSVAL-GHMZBOCLSA-N 0 3 177.222 1.640 10 0 in-vivo ADAEHN F[C@H]1CNCC[C@H]1c1ccncc1 98091646 169080300 /nfs/dbraw/zinc/08/03/00/169080300.db2.gz GYUTWJGOAGLJSG-UWVGGRQHSA-N 0 3 180.226 1.497 10 0 ADAEHN F[C@]1(C2CC2)CCCNC1 23789554 169080509 /nfs/dbraw/zinc/08/05/09/169080509.db2.gz FFKVNXWFOROGQV-MRVPVSSYSA-N 0 3 143.205 1.488 10 0 ADAEHN F[C@H]1CNCC[C@@H]1C1CCC1 98091231 169080741 /nfs/dbraw/zinc/08/07/41/169080741.db2.gz BPBZZUIWAPZSOJ-BDAKNGLRSA-N 0 3 157.232 1.734 10 0 ADAEHN F[C@H]1CNCC[C@@H]1c1ccncc1 98091647 169080853 /nfs/dbraw/zinc/08/08/53/169080853.db2.gz GYUTWJGOAGLJSG-ZJUUUORDSA-N 0 3 180.226 1.497 10 0 ADAEHN Fc1cc([C@@H]2CCNC[C@@H]2F)ccn1 98091670 169081547 /nfs/dbraw/zinc/08/15/47/169081547.db2.gz QYZVUBBFADJVON-IUCAKERBSA-N 0 3 198.216 1.636 10 0 ADAEHN Fc1cc(F)cc(C2=NCCN2)c1 13806078 169081851 /nfs/dbraw/zinc/08/18/51/169081851.db2.gz HTUSCWWJOOQGRN-UHFFFAOYSA-N 0 3 182.173 1.315 10 0 ADAEHN Fc1cc([C@@H]2CCNC[C@H]2F)ccn1 98091672 169082058 /nfs/dbraw/zinc/08/20/58/169082058.db2.gz QYZVUBBFADJVON-DTWKUNHWSA-N 0 3 198.216 1.636 10 0 ADAEHN Fc1cc([C@H]2CCNC[C@@H]2F)ccn1 98091671 169082165 /nfs/dbraw/zinc/08/21/65/169082165.db2.gz QYZVUBBFADJVON-BDAKNGLRSA-N 0 3 198.216 1.636 10 0 ADAEHN Fc1cc([C@H]2CCNC[C@H]2F)ccn1 98091673 169082281 /nfs/dbraw/zinc/08/22/81/169082281.db2.gz QYZVUBBFADJVON-RKDXNWHRSA-N 0 3 198.216 1.636 10 0 ADAEHN Fc1ccc2nc3c(n2c1)CNCC3 82694445 169083938 /nfs/dbraw/zinc/08/39/38/169083938.db2.gz PYNACPICYBYHRH-UHFFFAOYSA-N 0 3 191.209 1.119 10 0 ADAEHN Fc1ccc([C@H]2CNCO2)c(F)c1 78218125 169084465 /nfs/dbraw/zinc/08/44/65/169084465.db2.gz QCUHKMDFFVECKI-SECBINFHSA-N 0 3 185.173 1.583 10 0 ADAEHN Fc1ccc2c(c1)OC[C@@]21CCN1 306145887 169084498 /nfs/dbraw/zinc/08/44/98/169084498.db2.gz UTERZFZLUVPVOI-JTQLQIEISA-N 0 3 179.194 1.407 10 0 ADAEHN Fc1ccc2c(c1)cc1n2CCNC1 39115393 169084574 /nfs/dbraw/zinc/08/45/74/169084574.db2.gz BQWBLSAUVGNJOQ-UHFFFAOYSA-N 0 3 190.221 1.884 10 0 ADAEHN Fc1ccc([C@H]2CNCO2)cc1F 82529870 169084632 /nfs/dbraw/zinc/08/46/32/169084632.db2.gz IMRKCZLYBCKVFO-SECBINFHSA-N 0 3 185.173 1.583 10 0 ADAEHN Fc1ccc([C@H]2CNCO2)cc1 71496133 169084865 /nfs/dbraw/zinc/08/48/65/169084865.db2.gz NCCWOWNBTJAGRP-SECBINFHSA-N 0 3 167.183 1.444 10 0 ADAEHN Fc1ccc([C@@H]2CNCO2)cc1 71496131 169084937 /nfs/dbraw/zinc/08/49/37/169084937.db2.gz NCCWOWNBTJAGRP-VIFPVBQESA-N 0 3 167.183 1.444 10 0 ADAEHN Fc1ccc2c(c1)OC[C@]21CCN1 306145888 169084950 /nfs/dbraw/zinc/08/49/50/169084950.db2.gz UTERZFZLUVPVOI-SNVBAGLBSA-N 0 3 179.194 1.407 10 0 ADAEHN Fc1ccc2cc3n(c2c1)CCNC3 39115402 169084968 /nfs/dbraw/zinc/08/49/68/169084968.db2.gz QXMDFFHPPMKMNZ-UHFFFAOYSA-N 0 3 190.221 1.884 10 0 ADAEHN Fc1ccc([C@@H]2CNCO2)cc1F 82529869 169085015 /nfs/dbraw/zinc/08/50/15/169085015.db2.gz IMRKCZLYBCKVFO-VIFPVBQESA-N 0 3 185.173 1.583 10 0 ADAEHN Fc1ccc2c(c1)[C@]1(CCN1)CO2 306145743 169085051 /nfs/dbraw/zinc/08/50/51/169085051.db2.gz OXUPATGHUFPUFM-JTQLQIEISA-N 0 3 179.194 1.407 10 0 ADAEHN Fc1ccc([C@@H]2CNCO2)c(F)c1 78218124 169085098 /nfs/dbraw/zinc/08/50/98/169085098.db2.gz QCUHKMDFFVECKI-VIFPVBQESA-N 0 3 185.173 1.583 10 0 ADAEHN Fc1ccc2c(c1)[C@@]1(CCN1)CO2 306145744 169085219 /nfs/dbraw/zinc/08/52/19/169085219.db2.gz OXUPATGHUFPUFM-SNVBAGLBSA-N 0 3 179.194 1.407 10 0 ADAEHN Fc1cccc(F)c1[C@H]1CNCCN1 84932343 169085707 /nfs/dbraw/zinc/08/57/07/169085707.db2.gz GLLZGLHNMJHVSB-SECBINFHSA-N 0 3 198.216 1.199 10 0 ADAEHN Fc1cccc(C[C@H]2COCCN2)c1 71507040 169085745 /nfs/dbraw/zinc/08/57/45/169085745.db2.gz VBQUBNZEKUBZAU-NSHDSACASA-N 0 3 195.237 1.357 10 0 ADAEHN Fc1cccc(C[C@@H]2COCCN2)c1 71507039 169085765 /nfs/dbraw/zinc/08/57/65/169085765.db2.gz VBQUBNZEKUBZAU-LLVKDONJSA-N 0 3 195.237 1.357 10 0 ADAEHN Fc1cccc(C2=NCCN2)c1 13806054 169086114 /nfs/dbraw/zinc/08/61/14/169086114.db2.gz QSQDHXMRVZKAHX-UHFFFAOYSA-N 0 3 164.183 1.176 10 0 ADAEHN Fc1cccc(F)c1[C@@H]1CNCCN1 84932342 169086424 /nfs/dbraw/zinc/08/64/24/169086424.db2.gz GLLZGLHNMJHVSB-VIFPVBQESA-N 0 3 198.216 1.199 10 0 ADAEHN Fc1cccc([C@@H]2CNCCN2)c1F 84932340 169086774 /nfs/dbraw/zinc/08/67/74/169086774.db2.gz HZHDLLBBPWHJHS-VIFPVBQESA-N 0 3 198.216 1.199 10 0 ADAEHN Fc1cccc2c1cc1n2CCNC1 39115401 169087219 /nfs/dbraw/zinc/08/72/19/169087219.db2.gz HOUMNZKXVJXHAL-UHFFFAOYSA-N 0 3 190.221 1.884 10 0 ADAEHN Fc1ccccc1C[C@H]1COCCN1 71507026 169087241 /nfs/dbraw/zinc/08/72/41/169087241.db2.gz DJPXCTBQLNMYAX-JTQLQIEISA-N 0 3 195.237 1.357 10 0 ADAEHN Fc1ccccc1NC1=NCCN1 33796453 169087476 /nfs/dbraw/zinc/08/74/76/169087476.db2.gz UFOSJTCDONLQMQ-UHFFFAOYSA-N 0 3 179.198 1.197 10 0 ADAEHN Fc1cccc([C@H]2CNCO2)c1 71496141 169087577 /nfs/dbraw/zinc/08/75/77/169087577.db2.gz UTEISQZTMVVJGW-SECBINFHSA-N 0 3 167.183 1.444 10 0 ADAEHN Fc1ccccc1C1=NCCCN1 62566820 169087593 /nfs/dbraw/zinc/08/75/93/169087593.db2.gz WVMAYSJLSOOWSD-UHFFFAOYSA-N 0 3 178.210 1.566 10 0 ADAEHN Fc1cccc([C@@H]2CNCO2)c1 71496139 169087619 /nfs/dbraw/zinc/08/76/19/169087619.db2.gz UTEISQZTMVVJGW-VIFPVBQESA-N 0 3 167.183 1.444 10 0 ADAEHN Fc1cccc([C@H]2CNCCN2)c1F 84932341 169087898 /nfs/dbraw/zinc/08/78/98/169087898.db2.gz HZHDLLBBPWHJHS-SECBINFHSA-N 0 3 198.216 1.199 10 0 ADAEHN 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/nfs/dbraw/zinc/22/33/89/169223389.db2.gz CRIUUQXCBXUYHJ-UHFFFAOYSA-N 0 3 191.230 1.499 10 0 ADAEHN NCc1ccc(OC2CC2)cn1 95722932 169223410 /nfs/dbraw/zinc/22/34/10/169223410.db2.gz PQYUQDRTJKLBAO-UHFFFAOYSA-N 0 3 164.208 1.082 10 0 ADAEHN NCc1ccc(OC2CC2)cc1F 95738038 169223535 /nfs/dbraw/zinc/22/35/35/169223535.db2.gz MXYTZYYOKBFEIL-UHFFFAOYSA-N 0 3 181.210 1.826 10 0 ADAEHN NCc1ccc(OC2CC2)cc1C=O 95738036 169223710 /nfs/dbraw/zinc/22/37/10/169223710.db2.gz KDUBPGXTOWHEED-UHFFFAOYSA-N 0 3 191.230 1.499 10 0 ADAEHN NCc1ccc(F)cc1OC1CC1 95737972 169223714 /nfs/dbraw/zinc/22/37/14/169223714.db2.gz MIEXLRSSFJSKQW-UHFFFAOYSA-N 0 3 181.210 1.826 10 0 ADAEHN NCc1ccc2c(F)ccc(F)c2n1 62567747 169223722 /nfs/dbraw/zinc/22/37/22/169223722.db2.gz XASHBDNMJWKCTN-UHFFFAOYSA-N 0 3 194.184 1.972 10 0 ADAEHN NCc1ccc(OC2CC2)c(F)n1 95738001 169223760 /nfs/dbraw/zinc/22/37/60/169223760.db2.gz YXJAUWDJGZPQJE-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1ccc(NC2CCCC2)nn1 82636846 169223777 /nfs/dbraw/zinc/22/37/77/169223777.db2.gz WGNOUMQSTAWHQM-UHFFFAOYSA-N 0 3 192.266 1.290 10 0 ADAEHN NCc1ccc(OC2CCCC2)nn1 51523103 169223782 /nfs/dbraw/zinc/22/37/82/169223782.db2.gz MLTQYYSKLSTFSR-UHFFFAOYSA-N 0 3 193.250 1.257 10 0 ADAEHN NCc1ccc(OC2CC2)c(Cl)n1 95738026 169223872 /nfs/dbraw/zinc/22/38/72/169223872.db2.gz UGGKPOVENHWQSP-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1ccc2sccc2n1 82851046 169223970 /nfs/dbraw/zinc/22/39/70/169223970.db2.gz HTIMZLHAYGJLMN-UHFFFAOYSA-N 0 3 164.233 1.755 10 0 ADAEHN NCc1ccccc1OCCCCO 44421296 169223973 /nfs/dbraw/zinc/22/39/73/169223973.db2.gz CFPOGFBXLLSIAX-UHFFFAOYSA-N 0 3 195.262 1.297 10 0 ADAEHN NCc1cccc(C=O)c1OC1CC1 95737760 169224031 /nfs/dbraw/zinc/22/40/31/169224031.db2.gz DERNSVFQFJLOIS-UHFFFAOYSA-N 0 3 191.230 1.499 10 0 ADAEHN NCc1cccc(-c2cc[nH]n2)c1F 75928100 169224093 /nfs/dbraw/zinc/22/40/93/169224093.db2.gz PKKGPKBYHRNFDF-UHFFFAOYSA-N 0 3 191.209 1.675 10 0 ADAEHN NCc1cccc(OC2CCCC2)n1 51523095 169224139 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/nfs/dbraw/zinc/22/49/86/169224986.db2.gz XNGNAMCJNAMZGQ-UHFFFAOYSA-N 0 3 178.235 1.329 10 0 ADAEHN NCc1cn2nc(C3CC3)sc2n1 19947016 169225123 /nfs/dbraw/zinc/22/51/23/169225123.db2.gz YVWRSTBBXMXYOX-UHFFFAOYSA-N 0 3 194.263 1.127 10 0 ADAEHN NCc1cccn1C[C@@H]1CCCO1 82637727 169225127 /nfs/dbraw/zinc/22/51/27/169225127.db2.gz NVABQISNNTZIDT-JTQLQIEISA-N 0 3 180.251 1.126 10 0 ADAEHN NCc1cn(C2CCCCCC2)nn1 128365472 169225151 /nfs/dbraw/zinc/22/51/51/169225151.db2.gz LRYJRQZCTYNZLQ-UHFFFAOYSA-N 0 3 194.282 1.632 10 0 ADAEHN NCc1ccncc1OC1CC1 95726091 169225161 /nfs/dbraw/zinc/22/51/61/169225161.db2.gz KXVPCVYVLVXYBV-UHFFFAOYSA-N 0 3 164.208 1.082 10 0 ADAEHN NCc1cnc(-c2ccco2)s1 40996868 169225191 /nfs/dbraw/zinc/22/51/91/169225191.db2.gz AGKYCXOVXNIEAG-UHFFFAOYSA-N 0 3 180.232 1.862 10 0 ADAEHN NCc1cccn1C[C@H]1CCCO1 82635009 169225261 /nfs/dbraw/zinc/22/52/61/169225261.db2.gz NVABQISNNTZIDT-SNVBAGLBSA-N 0 3 180.251 1.126 10 0 ADAEHN NCc1ccnc(Cl)c1OC1CC1 95738113 169225293 /nfs/dbraw/zinc/22/52/93/169225293.db2.gz OJWSKSILKMRXIP-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1cccnc1NC1CCCC1 41205542 169225304 /nfs/dbraw/zinc/22/53/04/169225304.db2.gz PDDRILQRFYBLPJ-UHFFFAOYSA-N 0 3 191.278 1.895 10 0 ADAEHN NCc1cn2c(ccc3ccccc32)n1 34152073 169225310 /nfs/dbraw/zinc/22/53/10/169225310.db2.gz YYXDZQCPZRIEEK-UHFFFAOYSA-N 0 3 197.241 1.946 10 0 ADAEHN NCc1ccoc1COC1CCC1 52595412 169225345 /nfs/dbraw/zinc/22/53/45/169225345.db2.gz NVGHXNWIJMRRQZ-UHFFFAOYSA-N 0 3 181.235 1.807 10 0 ADAEHN NCc1cn2c(Cl)cccc2n1 74374913 169225367 /nfs/dbraw/zinc/22/53/67/169225367.db2.gz KJJBUOWZUIECRW-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN NCc1cnc(-c2cccnc2)s1 11760567 169225403 /nfs/dbraw/zinc/22/54/03/169225403.db2.gz IAMAYBOGNNBBJC-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN NCc1cnc(-c2ccsc2)nc1 54855281 169225457 /nfs/dbraw/zinc/22/54/57/169225457.db2.gz PZJHWSBAVWCMKU-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN NCc1cccnc1NC1CCC1 82634494 169225464 /nfs/dbraw/zinc/22/54/64/169225464.db2.gz AQXWJOGCCKABLF-UHFFFAOYSA-N 0 3 177.251 1.505 10 0 ADAEHN NCc1cnc(-c2ccccn2)s1 11760573 169225479 /nfs/dbraw/zinc/22/54/79/169225479.db2.gz LLOOOQNKALIPDE-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN NCc1cccnc1OCC1CC1 19870490 169225491 /nfs/dbraw/zinc/22/54/91/169225491.db2.gz XCEXVMANDRDOIF-UHFFFAOYSA-N 0 3 178.235 1.329 10 0 ADAEHN NCc1ccnc(OCC(F)F)c1 90225679 169225512 /nfs/dbraw/zinc/22/55/12/169225512.db2.gz HBVFKNAVLMBSQI-UHFFFAOYSA-N 0 3 188.177 1.184 10 0 in-vitro ADAEHN NCc1ccnc(F)c1OC1CC1 95738103 169225631 /nfs/dbraw/zinc/22/56/31/169225631.db2.gz GWIMCJQNFHVBFB-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1cnc(-c2ccc[nH]2)s1 11760552 169225668 /nfs/dbraw/zinc/22/56/68/169225668.db2.gz WKJKMBUDTYMTAQ-UHFFFAOYSA-N 0 3 179.248 1.597 10 0 ADAEHN NCc1cnc(-c2cccs2)nc1 54855350 169225706 /nfs/dbraw/zinc/22/57/06/169225706.db2.gz JETWNLNFEBBHNU-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN NCc1cccnc1OC1CCC1 50518998 169225712 /nfs/dbraw/zinc/22/57/12/169225712.db2.gz HSYSQSGABBSYDM-UHFFFAOYSA-N 0 3 178.235 1.472 10 0 ADAEHN NCc1cn(-c2cccc(F)c2)cn1 82530392 169225751 /nfs/dbraw/zinc/22/57/51/169225751.db2.gz LMMWFGKCJQAKKY-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cnc(-c2ccco2)nc1 54855298 169225758 /nfs/dbraw/zinc/22/57/58/169225758.db2.gz ZSXOWELCGHJZCU-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN NCc1cnc(-c2ccncc2)s1 20441710 169225774 /nfs/dbraw/zinc/22/57/74/169225774.db2.gz UBXYVAMAXLTVCT-UHFFFAOYSA-N 0 3 191.259 1.664 10 0 ADAEHN NCc1cn(C2CCCC2)cn1 82522683 169225832 /nfs/dbraw/zinc/22/58/32/169225832.db2.gz HLHDZPCDWXIKBI-UHFFFAOYSA-N 0 3 165.240 1.457 10 0 ADAEHN NCc1ccoc1Br 83272473 169225877 /nfs/dbraw/zinc/22/58/77/169225877.db2.gz NKMBEBMRLDWURC-UHFFFAOYSA-N 0 3 176.013 1.501 10 0 ADAEHN NCc1cn2c3c(sc2n1)CCC3 11566914 169225891 /nfs/dbraw/zinc/22/58/91/169225891.db2.gz WMHLPVMJAYITFJ-UHFFFAOYSA-N 0 3 193.275 1.343 10 0 ADAEHN NCc1cn2cc(F)cc(Cl)c2n1 82694412 169225922 /nfs/dbraw/zinc/22/59/22/169225922.db2.gz HJKJXFYDSQYLMW-UHFFFAOYSA-N 0 3 199.616 1.586 10 0 ADAEHN NCc1ccn(-c2cccc(F)c2)n1 82636573 169225951 /nfs/dbraw/zinc/22/59/51/169225951.db2.gz KAOIIMOPPDOAFS-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cccn1Cc1nccs1 82637088 169225972 /nfs/dbraw/zinc/22/59/72/169225972.db2.gz BULKOPZHLDBXNS-UHFFFAOYSA-N 0 3 193.275 1.452 10 0 ADAEHN NCc1ccncc1NC1CCCC1 13608493 169226035 /nfs/dbraw/zinc/22/60/35/169226035.db2.gz MIDPRZDDHKUBRA-UHFFFAOYSA-N 0 3 191.278 1.895 10 0 ADAEHN NCc1cnc(-c2cnccn2)s1 40996540 169226164 /nfs/dbraw/zinc/22/61/64/169226164.db2.gz JAOADHIBCPMCAC-UHFFFAOYSA-N 0 3 192.247 1.059 10 0 ADAEHN NCc1ccn(-c2ccccc2F)n1 32912502 169226295 /nfs/dbraw/zinc/22/62/95/169226295.db2.gz LHUZHKZSCNHKLH-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1ccncc1NC1CC1 13608489 169226419 /nfs/dbraw/zinc/22/64/19/169226419.db2.gz IMTWKNKKBOBKPK-UHFFFAOYSA-N 0 3 163.224 1.115 10 0 ADAEHN NCc1ccn(-c2ccc(F)cc2)n1 72235984 169226440 /nfs/dbraw/zinc/22/64/40/169226440.db2.gz NPLXCLIJTPVZEB-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cnc(NC2CC2)c(Cl)c1 82638217 169226563 /nfs/dbraw/zinc/22/65/63/169226563.db2.gz WDWDDGIVRQYHKR-UHFFFAOYSA-N 0 3 197.669 1.768 10 0 ADAEHN NCc1cncn1-c1ccccc1F 76634888 169226569 /nfs/dbraw/zinc/22/65/69/169226569.db2.gz QNMOKBDBWBYCPZ-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cncc(OC2CC2)c1 95724435 169226575 /nfs/dbraw/zinc/22/65/75/169226575.db2.gz FHLLTJPVGSAOSU-UHFFFAOYSA-N 0 3 164.208 1.082 10 0 ADAEHN NCc1cnc(C2CCC2)nc1 83146396 169226585 /nfs/dbraw/zinc/22/65/85/169226585.db2.gz IWICIBGRXCJJEH-UHFFFAOYSA-N 0 3 163.224 1.203 10 0 ADAEHN NCc1cnoc1-c1ccc(F)cc1 71506049 169226601 /nfs/dbraw/zinc/22/66/01/169226601.db2.gz YKDKAUFAMAKPAL-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN NCc1cnoc1-c1cc[nH]c1 71495701 169226632 /nfs/dbraw/zinc/22/66/32/169226632.db2.gz IOKDSWZRKUMXLI-UHFFFAOYSA-N 0 3 163.180 1.128 10 0 ADAEHN NCc1cnc2nc(Cl)sc2c1 89229326 169226645 /nfs/dbraw/zinc/22/66/45/169226645.db2.gz AXPDXBUPVOPZLS-UHFFFAOYSA-N 0 3 199.666 1.803 10 0 ADAEHN NCc1cncc(Cl)c1OC1CC1 95738182 169226661 /nfs/dbraw/zinc/22/66/61/169226661.db2.gz KHEXVWUAKJDYPG-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1cncc(OC2CC2)c1Cl 95738179 169226677 /nfs/dbraw/zinc/22/66/77/169226677.db2.gz BAHHUFARRAYDFH-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1cnn(-c2ccccc2F)c1 19508261 169226707 /nfs/dbraw/zinc/22/67/07/169226707.db2.gz JJEDZTPPEFHRDK-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cncc(F)c1OC1CC1 95738145 169226754 /nfs/dbraw/zinc/22/67/54/169226754.db2.gz KRBQEGJFWOJRSM-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1cnc(F)cc1OC1CC1 95738125 169226858 /nfs/dbraw/zinc/22/68/58/169226858.db2.gz ALHOUFRVFSMDIM-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1cnc(C2CCCC2)nc1 54855315 169226861 /nfs/dbraw/zinc/22/68/61/169226861.db2.gz MJFCVKONRCXQAN-UHFFFAOYSA-N 0 3 177.251 1.593 10 0 ADAEHN NCc1coc(Br)c1 82868789 169226867 /nfs/dbraw/zinc/22/68/67/169226867.db2.gz LSFRDKRXWZGJFT-UHFFFAOYSA-N 0 3 176.013 1.501 10 0 ADAEHN NCc1cnc(C[C@@H]2CCCO2)s1 40996515 169226886 /nfs/dbraw/zinc/22/68/86/169226886.db2.gz AZAVHWXHYPODKQ-ZETCQYMHSA-N 0 3 198.291 1.323 10 0 ADAEHN NCc1cnoc1-c1cccs1 71498169 169226905 /nfs/dbraw/zinc/22/69/05/169226905.db2.gz SHIWKRQCVZVAGW-UHFFFAOYSA-N 0 3 180.232 1.862 10 0 ADAEHN NCc1cncnc1NC1CCCC1 82636851 169226960 /nfs/dbraw/zinc/22/69/60/169226960.db2.gz YPHQICCRUPQLLT-UHFFFAOYSA-N 0 3 192.266 1.290 10 0 ADAEHN NCc1cnc(C[C@H]2CCCO2)s1 40996516 169226997 /nfs/dbraw/zinc/22/69/97/169226997.db2.gz AZAVHWXHYPODKQ-SSDOTTSWSA-N 0 3 198.291 1.323 10 0 ADAEHN NCc1cnc(Cl)cc1OC1CC1 95738136 169227011 /nfs/dbraw/zinc/22/70/11/169227011.db2.gz IFWVZSGKDWLNRH-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1cnc(CN2CCCC2)s1 82417957 169227022 /nfs/dbraw/zinc/22/70/22/169227022.db2.gz SEASDYJIOAKAQQ-UHFFFAOYSA-N 0 3 197.307 1.198 10 0 ADAEHN NCc1cnc2ccccc2c1N 50423047 169227026 /nfs/dbraw/zinc/22/70/26/169227026.db2.gz ZNQQEOBBGCHKCL-UHFFFAOYSA-N 0 3 173.219 1.276 10 0 ADAEHN NCc1coc2c1C(=O)CCC2 82632728 169227042 /nfs/dbraw/zinc/22/70/42/169227042.db2.gz LLWSDWVIYRFDEQ-UHFFFAOYSA-N 0 3 165.192 1.257 10 0 ADAEHN NCc1cnn(Cc2ccsc2)c1 63169659 169227074 /nfs/dbraw/zinc/22/70/74/169227074.db2.gz MDDJTUZUMDBFQY-UHFFFAOYSA-N 0 3 193.275 1.452 10 0 ADAEHN NCc1cnc(N2CCCC2)s1 45206623 169227082 /nfs/dbraw/zinc/22/70/82/169227082.db2.gz LCHQLYJTJJBOJP-UHFFFAOYSA-N 0 3 183.280 1.202 10 0 ADAEHN NCc1cnc2cccc(Cl)n12 74374991 169227085 /nfs/dbraw/zinc/22/70/85/169227085.db2.gz YYVPYWJHQILUPD-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN NCc1cnc(F)c(OC2CC2)c1 95737782 169227140 /nfs/dbraw/zinc/22/71/40/169227140.db2.gz BGWUZHXHCNEVTJ-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1cnc(F)c(Cl)c1 95763770 169227145 /nfs/dbraw/zinc/22/71/45/169227145.db2.gz JABXCYJFPVROFG-UHFFFAOYSA-N 0 3 160.579 1.333 10 0 ADAEHN NCc1cnc(C2CCC2)cn1 82404531 169227167 /nfs/dbraw/zinc/22/71/67/169227167.db2.gz LEBKQWKCCCBZIC-UHFFFAOYSA-N 0 3 163.224 1.203 10 0 ADAEHN NCc1cncc(F)c1Cl 95768718 169227192 /nfs/dbraw/zinc/22/71/92/169227192.db2.gz BGSHNQRLXOYRMQ-UHFFFAOYSA-N 0 3 160.579 1.333 10 0 ADAEHN NCc1cnc([C@@H]2CCOC2)s1 51691396 169227206 /nfs/dbraw/zinc/22/72/06/169227206.db2.gz ZWOCXVMEYRKUKX-ZCFIWIBFSA-N 0 3 184.264 1.106 10 0 ADAEHN NCc1cnc([C@@H]2CCCO2)s1 82416835 169227223 /nfs/dbraw/zinc/22/72/23/169227223.db2.gz PWRVHLOJBBKAHG-ZETCQYMHSA-N 0 3 184.264 1.453 10 0 ADAEHN NCc1cncc(OC2CC2)c1F 95738164 169227230 /nfs/dbraw/zinc/22/72/30/169227230.db2.gz ZXFCTBRPIXVMBL-UHFFFAOYSA-N 0 3 182.198 1.221 10 0 ADAEHN NCc1coc2c1CCCC2 24771554 169227234 /nfs/dbraw/zinc/22/72/34/169227234.db2.gz KCVUMNVHZFBVLL-UHFFFAOYSA-N 0 3 151.209 1.617 10 0 ADAEHN NCc1cnc(F)cc1Cl 95768759 169227258 /nfs/dbraw/zinc/22/72/58/169227258.db2.gz FRPQBPYWIFECIF-UHFFFAOYSA-N 0 3 160.579 1.333 10 0 ADAEHN NCc1cncc(Cl)c1F 95763772 169227267 /nfs/dbraw/zinc/22/72/67/169227267.db2.gz RWWKXCDSTNKSAX-UHFFFAOYSA-N 0 3 160.579 1.333 10 0 ADAEHN NCc1cnccc1OC1CC1 95722758 169227285 /nfs/dbraw/zinc/22/72/85/169227285.db2.gz WHKBVGSWTUSWQL-UHFFFAOYSA-N 0 3 164.208 1.082 10 0 ADAEHN NCc1cnc([C@H]2CCOC2)s1 51691398 169227374 /nfs/dbraw/zinc/22/73/74/169227374.db2.gz ZWOCXVMEYRKUKX-LURJTMIESA-N 0 3 184.264 1.106 10 0 ADAEHN NCc1cnc(Cc2ccccc2)nc1 54855328 169227390 /nfs/dbraw/zinc/22/73/90/169227390.db2.gz OFSJWZBADPNDCT-UHFFFAOYSA-N 0 3 199.257 1.526 10 0 ADAEHN NCc1cncnc1C1CCC1 82404485 169227411 /nfs/dbraw/zinc/22/74/11/169227411.db2.gz BGZXSEWLRJSZJY-UHFFFAOYSA-N 0 3 163.224 1.203 10 0 ADAEHN NCc1cnc2ccc(F)cc2c1 62566783 169227445 /nfs/dbraw/zinc/22/74/45/169227445.db2.gz WVHHXKVTAKBPCO-UHFFFAOYSA-N 0 3 176.194 1.833 10 0 ADAEHN NCc1cncc(-c2ccccc2)n1 82392777 169227495 /nfs/dbraw/zinc/22/74/95/169227495.db2.gz WSGWPXZKIMQICF-UHFFFAOYSA-N 0 3 185.230 1.602 10 0 ADAEHN NCc1cnn(Cc2cccs2)c1 63169632 169227511 /nfs/dbraw/zinc/22/75/11/169227511.db2.gz GDPRVPOYJGQCCZ-UHFFFAOYSA-N 0 3 193.275 1.452 10 0 ADAEHN NCc1cnc(C2CCCCC2)nc1 54855341 169227569 /nfs/dbraw/zinc/22/75/69/169227569.db2.gz AVAFDSYCDFVDHT-UHFFFAOYSA-N 0 3 191.278 1.983 10 0 ADAEHN NCc1cnc(Cl)c(OC2CC2)c1 95737794 169227583 /nfs/dbraw/zinc/22/75/83/169227583.db2.gz NSDHKTHMFSBTPP-UHFFFAOYSA-N 0 3 198.653 1.735 10 0 ADAEHN NCc1cncnc1C1CCCCC1 82389208 169227597 /nfs/dbraw/zinc/22/75/97/169227597.db2.gz XVNWDOODNFLNFW-UHFFFAOYSA-N 0 3 191.278 1.983 10 0 ADAEHN NCc1cnc(CC(F)(F)F)s1 42413475 169227633 /nfs/dbraw/zinc/22/76/33/169227633.db2.gz MFRSNSSHBFUBEM-UHFFFAOYSA-N 0 3 196.197 1.707 10 0 ADAEHN NCc1cnc2c(Cl)cccn12 84336589 169227641 /nfs/dbraw/zinc/22/76/41/169227641.db2.gz YNPUPXDFUZZTSC-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN NCc1cncn1-c1ccc(F)cc1 82636574 169227646 /nfs/dbraw/zinc/22/76/46/169227646.db2.gz RJBFGOVACIHERD-UHFFFAOYSA-N 0 3 191.209 1.470 10 0 ADAEHN NCc1cnc(N2CCCCC2)s1 39287197 169227665 /nfs/dbraw/zinc/22/76/65/169227665.db2.gz PYTXFQBZANMRRH-UHFFFAOYSA-N 0 3 197.307 1.592 10 0 ADAEHN NCc1cnn(C2CCCCC2)c1 40538493 169227684 /nfs/dbraw/zinc/22/76/84/169227684.db2.gz CUHDPSAUYMUIIU-UHFFFAOYSA-N 0 3 179.267 1.847 10 0 in-vitro ADAEHN NCc1cnc([C@H]2CCCO2)s1 82416837 169227740 /nfs/dbraw/zinc/22/77/40/169227740.db2.gz PWRVHLOJBBKAHG-SSDOTTSWSA-N 0 3 184.264 1.453 10 0 ADAEHN NCc1cncnc1C1CCCC1 82398151 169227786 /nfs/dbraw/zinc/22/77/86/169227786.db2.gz DRVBCJAIXUJPGB-UHFFFAOYSA-N 0 3 177.251 1.593 10 0 ADAEHN NCc1cnnc(-c2ccccc2)c1 82392778 169227799 /nfs/dbraw/zinc/22/77/99/169227799.db2.gz IMUNKYGJEVYGMZ-UHFFFAOYSA-N 0 3 185.230 1.602 10 0 ADAEHN NCc1cnc2cc(Cl)ccn12 74376409 169227812 /nfs/dbraw/zinc/22/78/12/169227812.db2.gz ZXGYNRJTFYCAAO-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN NCc1coc(Cl)c1 83267467 169227836 /nfs/dbraw/zinc/22/78/36/169227836.db2.gz HIDQIHKALANIDC-UHFFFAOYSA-N 0 3 131.562 1.392 10 0 ADAEHN NCc1coc(COC2CCC2)c1 52595550 169227848 /nfs/dbraw/zinc/22/78/48/169227848.db2.gz QTWFHISSZSQXSO-UHFFFAOYSA-N 0 3 181.235 1.807 10 0 ADAEHN NCc1cnc(C2CCC2)s1 83123406 169227868 /nfs/dbraw/zinc/22/78/68/169227868.db2.gz DXXVZQNTUIMBPD-UHFFFAOYSA-N 0 3 168.265 1.869 10 0 ADAEHN NCc1cnc2ccc(Cl)cn12 19767717 169227885 /nfs/dbraw/zinc/22/78/85/169227885.db2.gz DQULYGKMQVPQMT-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN NCc1cnc2[nH]cc(F)c2c1 38855326 169227919 /nfs/dbraw/zinc/22/79/19/169227919.db2.gz HDFGJHAIAMZBBB-UHFFFAOYSA-N 0 3 165.171 1.161 10 0 ADAEHN NCc1csc(CC(F)(F)F)n1 42413481 169228119 /nfs/dbraw/zinc/22/81/19/169228119.db2.gz PSPCXJCLTOXXBG-UHFFFAOYSA-N 0 3 196.197 1.707 10 0 ADAEHN NCc1csc(C[C@@H]2CCCO2)n1 40999549 169228151 /nfs/dbraw/zinc/22/81/51/169228151.db2.gz CXMZGSCKSVMSOB-QMMMGPOBSA-N 0 3 198.291 1.323 10 0 ADAEHN NCc1csc(C[C@H]2CCCO2)n1 40999550 169228154 /nfs/dbraw/zinc/22/81/54/169228154.db2.gz CXMZGSCKSVMSOB-MRVPVSSYSA-N 0 3 198.291 1.323 10 0 ADAEHN NCc1conc1-c1cccc(F)c1 71506048 169228283 /nfs/dbraw/zinc/22/82/83/169228283.db2.gz CVMIRIIMOLRHLL-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN NCc1csc(C2CCOCC2)n1 52176181 169228369 /nfs/dbraw/zinc/22/83/69/169228369.db2.gz LEOLIPSJYQYHMW-UHFFFAOYSA-N 0 3 198.291 1.496 10 0 ADAEHN NCc1n[nH]c(C2CCCCC2)n1 41058865 169228374 /nfs/dbraw/zinc/22/83/74/169228374.db2.gz OMAZYNDGVMGDMB-UHFFFAOYSA-N 0 3 180.255 1.311 10 0 ADAEHN [NH3+]Cc1nnc(C2CCCCC2)[n-]1 41058865 169228375 /nfs/dbraw/zinc/22/83/75/169228375.db2.gz OMAZYNDGVMGDMB-UHFFFAOYSA-N 0 3 180.255 1.311 10 0 ADAEHN NCc1csc2c1CCC2 26442203 169228377 /nfs/dbraw/zinc/22/83/77/169228377.db2.gz RJTPUWPYIVFFAT-UHFFFAOYSA-N 0 3 153.250 1.696 10 0 ADAEHN NCc1[nH]nc2c(F)c(F)ccc12 75884130 169228379 /nfs/dbraw/zinc/22/83/79/169228379.db2.gz KLNIYNDJGCBVAQ-UHFFFAOYSA-N 0 3 183.161 1.300 10 0 ADAEHN NCc1conc1-c1ccccc1F 71506046 169228381 /nfs/dbraw/zinc/22/83/81/169228381.db2.gz XWNHZRBWFULZJL-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN NCc1conc1-c1ccco1 71495735 169228468 /nfs/dbraw/zinc/22/84/68/169228468.db2.gz HINKICUTYRILLC-UHFFFAOYSA-N 0 3 164.164 1.393 10 0 ADAEHN NCc1[nH]nc2c(F)cc(F)cc12 75884138 169228545 /nfs/dbraw/zinc/22/85/45/169228545.db2.gz ATBUBZWIXFSYQN-UHFFFAOYSA-N 0 3 183.161 1.300 10 0 ADAEHN NCc1csc([C@H]2CCCN2)n1 83340873 169228605 /nfs/dbraw/zinc/22/86/05/169228605.db2.gz LEDGXMQTJCIUQH-SSDOTTSWSA-N 0 3 183.280 1.026 10 0 ADAEHN NCc1csc(CN2CCCC2)n1 45206606 169228809 /nfs/dbraw/zinc/22/88/09/169228809.db2.gz HRMBLAVAEILHOG-UHFFFAOYSA-N 0 3 197.307 1.198 10 0 ADAEHN NCc1csc([C@H]2CCCO2)n1 41627720 169228814 /nfs/dbraw/zinc/22/88/14/169228814.db2.gz UDBUKGAORSAOKC-SSDOTTSWSA-N 0 3 184.264 1.453 10 0 ADAEHN NCc1conc1-c1cccnc1 71496879 169228931 /nfs/dbraw/zinc/22/89/31/169228931.db2.gz UZGMDQHNODVWJW-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN NCc1conc1-c1cccs1 71498166 169228965 /nfs/dbraw/zinc/22/89/65/169228965.db2.gz OEUXIJONIFAMBI-UHFFFAOYSA-N 0 3 180.232 1.862 10 0 ADAEHN NCc1csc2nc(C3CC3)nn12 82530805 169228985 /nfs/dbraw/zinc/22/89/85/169228985.db2.gz OWMXAMKFEOFLJA-UHFFFAOYSA-N 0 3 194.263 1.127 10 0 ADAEHN NCc1csc(NC2CC2)n1 82633481 169228994 /nfs/dbraw/zinc/22/89/94/169228994.db2.gz GTIZFYKDKVIZQR-UHFFFAOYSA-N 0 3 169.253 1.176 10 0 ADAEHN NCc1nc(NC2CC2)ccc1Cl 82638218 169229039 /nfs/dbraw/zinc/22/90/39/169229039.db2.gz YJWAGPQATXDSIK-UHFFFAOYSA-N 0 3 197.669 1.768 10 0 ADAEHN NCc1conc1-c1ccccc1 71496784 169229042 /nfs/dbraw/zinc/22/90/42/169229042.db2.gz LEJJHCRGBMRTLP-UHFFFAOYSA-N 0 3 174.203 1.800 10 0 ADAEHN NCc1coc2ccccc2c1=O 34079578 169229046 /nfs/dbraw/zinc/22/90/46/169229046.db2.gz ALHAAMFVVXODDT-UHFFFAOYSA-N 0 3 175.187 1.252 10 0 ADAEHN NCc1csc2nnc(C3CC3)n12 82530804 169229054 /nfs/dbraw/zinc/22/90/54/169229054.db2.gz CGAXZVMIKDATGZ-UHFFFAOYSA-N 0 3 194.263 1.127 10 0 ADAEHN NCc1nc(Cl)cc2nc[nH]c12 89203122 169229095 /nfs/dbraw/zinc/22/90/95/169229095.db2.gz VGLDKUAJRQPBIX-UHFFFAOYSA-N 0 3 182.614 1.070 10 0 ADAEHN NCc1csc([C@@H]2CCCO2)n1 41627717 169229198 /nfs/dbraw/zinc/22/91/98/169229198.db2.gz UDBUKGAORSAOKC-ZETCQYMHSA-N 0 3 184.264 1.453 10 0 ADAEHN NCc1[nH]nc2c1CCc1ccccc1-2 66112815 169229233 /nfs/dbraw/zinc/22/92/33/169229233.db2.gz GSXRGRDGBWLVBM-UHFFFAOYSA-N 0 3 199.257 1.634 10 0 ADAEHN NCc1conc1-c1ccc(F)cc1 71506047 169229317 /nfs/dbraw/zinc/22/93/17/169229317.db2.gz MMXZKMLDOTVNAC-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN NCc1csc([C@H]2CCOC2)n1 51691476 169229321 /nfs/dbraw/zinc/22/93/21/169229321.db2.gz FPBAWUJBXFEIJO-LURJTMIESA-N 0 3 184.264 1.106 10 0 ADAEHN NCc1[nH]nc(N)c1-c1ccccc1 59731304 169229343 /nfs/dbraw/zinc/22/93/43/169229343.db2.gz YQHHVPKZUMTYOF-UHFFFAOYSA-N 0 3 188.234 1.118 10 0 ADAEHN NCc1csc([C@@H]2CCCN2)n1 83350230 169229424 /nfs/dbraw/zinc/22/94/24/169229424.db2.gz LEDGXMQTJCIUQH-ZETCQYMHSA-N 0 3 183.280 1.026 10 0 ADAEHN NCc1conc1-c1ccncc1 71496881 169229447 /nfs/dbraw/zinc/22/94/47/169229447.db2.gz HEFIOTUFMQMLGM-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN NCc1csc(-c2cc[nH]c2)n1 71497813 169229455 /nfs/dbraw/zinc/22/94/55/169229455.db2.gz KEFBJKGITDWPQG-UHFFFAOYSA-N 0 3 179.248 1.597 10 0 ADAEHN NCc1[nH]nc2c(Cl)cccc12 75119299 169229554 /nfs/dbraw/zinc/22/95/54/169229554.db2.gz XCFKTHRHSKMRDK-UHFFFAOYSA-N 0 3 181.626 1.675 10 0 ADAEHN NCc1csc([C@@H]2CCOC2)n1 51691474 169229692 /nfs/dbraw/zinc/22/96/92/169229692.db2.gz FPBAWUJBXFEIJO-ZCFIWIBFSA-N 0 3 184.264 1.106 10 0 ADAEHN NCc1coc2ccc(F)cc2c1=O 44250017 169229714 /nfs/dbraw/zinc/22/97/14/169229714.db2.gz YCGQNTVBOJUYQA-UHFFFAOYSA-N 0 3 193.177 1.391 10 0 ADAEHN NCc1conc1-c1ccccn1 71496877 169229769 /nfs/dbraw/zinc/22/97/69/169229769.db2.gz IMHNXPGQBNWBAR-UHFFFAOYSA-N 0 3 175.191 1.195 10 0 ADAEHN NCc1[nH]nc2cc(Cl)ccc12 76606302 169229843 /nfs/dbraw/zinc/22/98/43/169229843.db2.gz KRISPVGTDJPZGZ-UHFFFAOYSA-N 0 3 181.626 1.675 10 0 ADAEHN NCc1csc(-c2cncnc2)n1 83341782 169229898 /nfs/dbraw/zinc/22/98/98/169229898.db2.gz BRNGQGGAVJRAAQ-UHFFFAOYSA-N 0 3 192.247 1.059 10 0 ADAEHN NCc1csc(-c2cscn2)n1 83282288 169229914 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/nfs/dbraw/zinc/23/09/68/169230968.db2.gz WDBTWNHXWRHUCR-UHFFFAOYSA-N 0 3 159.192 1.089 10 0 ADAEHN NCc1nccc2c(F)cccc12 82768812 169230987 /nfs/dbraw/zinc/23/09/87/169230987.db2.gz SBHXNKBXSSGRGD-UHFFFAOYSA-N 0 3 176.194 1.833 10 0 ADAEHN NCc1ncccc1-c1ccncc1 41655766 169231084 /nfs/dbraw/zinc/23/10/84/169231084.db2.gz RHRJSKUJXHPHIP-UHFFFAOYSA-N 0 3 185.230 1.602 10 0 ADAEHN NCc1ncoc1-c1ccco1 82632612 169231129 /nfs/dbraw/zinc/23/11/29/169231129.db2.gz CUFLOAORVKVANA-UHFFFAOYSA-N 0 3 164.164 1.393 10 0 ADAEHN NCc1ncccc1C1CCC1 211277732 169231183 /nfs/dbraw/zinc/23/11/83/169231183.db2.gz JBBYXMYDVUCGOI-UHFFFAOYSA-N 0 3 162.236 1.808 10 0 ADAEHN NCc1ncoc1-c1cccc(F)c1 82636712 169231192 /nfs/dbraw/zinc/23/11/92/169231192.db2.gz WONAIDBXKOQCDD-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN NCc1nccc2sccc12 82404219 169231194 /nfs/dbraw/zinc/23/11/94/169231194.db2.gz HZGKEPRMXPSBMR-UHFFFAOYSA-N 0 3 164.233 1.755 10 0 ADAEHN NCc1nccc2ncccc12 1296681 169231264 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HADOMLQOYPRBBJ-UHFFFAOYSA-N 0 3 197.185 1.203 10 0 ADAEHN NCc1nncc2ccccc12 82587562 169233056 /nfs/dbraw/zinc/23/30/56/169233056.db2.gz YZWQEYZWPNOFQG-UHFFFAOYSA-N 0 3 159.192 1.089 10 0 ADAEHN NCc1occc1CN1CCCCC1 52421219 169233142 /nfs/dbraw/zinc/23/31/42/169233142.db2.gz YDOCRUIXIZKRMD-UHFFFAOYSA-N 0 3 194.278 1.724 10 0 ADAEHN NCc1sc(N)nc1C1CC1 82633470 169233298 /nfs/dbraw/zinc/23/32/98/169233298.db2.gz TYIIUKAHEPUXFQ-UHFFFAOYSA-N 0 3 169.253 1.061 10 0 ADAEHN NCc1noc2nc(Cl)ccc12 82876681 169233360 /nfs/dbraw/zinc/23/33/60/169233360.db2.gz UIEDVFHNQGAUIG-UHFFFAOYSA-N 0 3 183.598 1.335 10 0 ADAEHN NCc1nnc(Cl)c2ccccc12 82893719 169233376 /nfs/dbraw/zinc/23/33/76/169233376.db2.gz KNKFXHUFFOZGJD-UHFFFAOYSA-N 0 3 193.637 1.742 10 0 ADAEHN NN1CCN(CC2CCCCC2)CC1 75442911 169233607 /nfs/dbraw/zinc/23/36/07/169233607.db2.gz PDORVTVAYKPSRE-UHFFFAOYSA-N 0 3 197.326 1.058 10 0 ADAEHN NNC1=NCCSc2ccccc21 104563222 169236517 /nfs/dbraw/zinc/23/65/17/169236517.db2.gz QVRNWCKNLPNKTG-UHFFFAOYSA-N 0 3 193.275 1.002 10 0 ADAEHN NNc1ccc(C2CCCC2)nn1 54079782 169237522 /nfs/dbraw/zinc/23/75/22/169237522.db2.gz JLLLMXRBPZJXQE-UHFFFAOYSA-N 0 3 178.239 1.420 10 0 ADAEHN NN=c1cc(-c2ccccc2)cn[nH]1 34741260 169238093 /nfs/dbraw/zinc/23/80/93/169238093.db2.gz YCNRQRPALLGDHP-UHFFFAOYSA-N 0 3 186.218 1.429 10 0 ADAEHN NNc1cc(-c2ccccc2)cnn1 34741260 169238094 /nfs/dbraw/zinc/23/80/94/169238094.db2.gz YCNRQRPALLGDHP-UHFFFAOYSA-N 0 3 186.218 1.429 10 0 ADAEHN NNc1ccc(C2CCCCC2)nn1 50194235 169238098 /nfs/dbraw/zinc/23/80/98/169238098.db2.gz WHKFSLBLRMGSNU-UHFFFAOYSA-N 0 3 192.266 1.810 10 0 ADAEHN NNc1ncc2c(n1)CCCCC2 72417108 169238346 /nfs/dbraw/zinc/23/83/46/169238346.db2.gz WWASPDAHXOKAOM-UHFFFAOYSA-N 0 3 178.239 1.031 10 0 ADAEHN NNc1cccc(-c2ccccn2)n1 34081314 169238375 /nfs/dbraw/zinc/23/83/75/169238375.db2.gz SXUWTNWCRGAKOZ-UHFFFAOYSA-N 0 3 186.218 1.429 10 0 ADAEHN NN=c1nc[nH]c2cccc(F)c12 253393457 169239721 /nfs/dbraw/zinc/23/97/21/169239721.db2.gz RBFKAIMQUGFKOG-UHFFFAOYSA-N 0 3 178.170 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41058728 171082243 /nfs/dbraw/zinc/08/22/43/171082243.db2.gz IKZXBKFLZBVXGD-UHFFFAOYSA-N 0 3 192.266 1.410 10 0 ADAEHN CN1CCC[C@@H](Nc2ccccn2)C1 41043339 171082291 /nfs/dbraw/zinc/08/22/91/171082291.db2.gz ZZKXKDBDQBOQCB-SNVBAGLBSA-N 0 3 191.278 1.588 10 0 ADAEHN NCC1=NN[C@@H](c2ccc(F)cc2)C1 41141939 171082295 /nfs/dbraw/zinc/08/22/95/171082295.db2.gz KYYOKJANNFLYMN-SNVBAGLBSA-N 0 3 193.225 1.175 10 0 ADAEHN ClC1(Cl)CCCNC1 39088568 171082362 /nfs/dbraw/zinc/08/23/62/171082362.db2.gz RSRMDDZPLKZCIK-UHFFFAOYSA-N 0 3 154.040 1.544 10 0 ADAEHN CN1CCC(N)(c2nccs2)CC1 41059900 171082396 /nfs/dbraw/zinc/08/23/96/171082396.db2.gz PKTCRUIAUFPSCH-UHFFFAOYSA-N 0 3 197.307 1.023 10 0 ADAEHN NCC1=NN[C@H](c2ccccc2)C1 41140831 171082503 /nfs/dbraw/zinc/08/25/03/171082503.db2.gz ONIXMDDYPVQFCH-JTQLQIEISA-N 0 3 175.235 1.036 10 0 ADAEHN NCC1=NN[C@H](c2ccc(F)cc2)C1 41141938 171082526 /nfs/dbraw/zinc/08/25/26/171082526.db2.gz KYYOKJANNFLYMN-JTQLQIEISA-N 0 3 193.225 1.175 10 0 ADAEHN NCC1=NN[C@@H](c2ccccc2F)C1 41143447 171082630 /nfs/dbraw/zinc/08/26/30/171082630.db2.gz WZZNTWHQJRIJCF-SNVBAGLBSA-N 0 3 193.225 1.175 10 0 ADAEHN NCC1=NN[C@@H](c2ccccc2)C1 41140833 171082642 /nfs/dbraw/zinc/08/26/42/171082642.db2.gz ONIXMDDYPVQFCH-SNVBAGLBSA-N 0 3 175.235 1.036 10 0 ADAEHN NCC1=NN[C@@H](c2cccs2)C1 41143956 171082660 /nfs/dbraw/zinc/08/26/60/171082660.db2.gz JUADIFCPNDWIAW-SSDOTTSWSA-N 0 3 181.264 1.097 10 0 ADAEHN NCC1=NN[C@H](c2cccs2)C1 41143955 171082663 /nfs/dbraw/zinc/08/26/63/171082663.db2.gz JUADIFCPNDWIAW-ZETCQYMHSA-N 0 3 181.264 1.097 10 0 ADAEHN NC1(c2nc3c(s2)CCC3)CCC1 41060157 171082722 /nfs/dbraw/zinc/08/27/22/171082722.db2.gz CDGYYKXSHIHHJI-UHFFFAOYSA-N 0 3 194.303 1.970 10 0 ADAEHN NCC1=NN[C@H](c2ccccc2F)C1 41143445 171082729 /nfs/dbraw/zinc/08/27/29/171082729.db2.gz WZZNTWHQJRIJCF-JTQLQIEISA-N 0 3 193.225 1.175 10 0 ADAEHN NC1(c2nccs2)CCOCC1 41059926 171082775 /nfs/dbraw/zinc/08/27/75/171082775.db2.gz WNIZZYWWSGQBKU-UHFFFAOYSA-N 0 3 184.264 1.108 10 0 ADAEHN Cc1ccccc1[C@@H]1C[C@@H](O)CCN1 41205247 171083056 /nfs/dbraw/zinc/08/30/56/171083056.db2.gz DBIATCSSGBYBAS-JQWIXIFHSA-N 0 3 191.274 1.780 10 0 ADAEHN Cc1ccccc1C(=O)[C@H]1CCCN1 41204637 171083105 /nfs/dbraw/zinc/08/31/05/171083105.db2.gz POHRXBBBESBYPX-LLVKDONJSA-N 0 3 189.258 1.930 10 0 ADAEHN Cc1ccccc1[C@@H]1C[C@H](O)CCN1 41205245 171083247 /nfs/dbraw/zinc/08/32/47/171083247.db2.gz DBIATCSSGBYBAS-PWSUYJOCSA-N 0 3 191.274 1.780 10 0 ADAEHN Cc1ccccc1[C@@H](CO)N(C)C 41200846 171083355 /nfs/dbraw/zinc/08/33/55/171083355.db2.gz JYLSCEWHPURVSZ-LLVKDONJSA-N 0 3 179.263 1.590 10 0 ADAEHN Cc1ccccc1[C@H](CO)N(C)C 41200849 171083427 /nfs/dbraw/zinc/08/34/27/171083427.db2.gz JYLSCEWHPURVSZ-NSHDSACASA-N 0 3 179.263 1.590 10 0 ADAEHN Cc1ccccc1C(=O)[C@@H]1CCCN1 41204635 171083480 /nfs/dbraw/zinc/08/34/80/171083480.db2.gz POHRXBBBESBYPX-NSHDSACASA-N 0 3 189.258 1.930 10 0 ADAEHN NC1(c2nc[nH]n2)CCCCCC1 42040684 171084678 /nfs/dbraw/zinc/08/46/78/171084678.db2.gz YWQQVIMYLLKDOG-UHFFFAOYSA-N 0 3 180.255 1.313 10 0 ADAEHN CC1(C)COCCN1[C@@H]1CCC[C@@H]1O 42462740 171085466 /nfs/dbraw/zinc/08/54/66/171085466.db2.gz XTWPBGCUYBAAIX-ZJUUUORDSA-N 0 3 199.294 1.011 10 0 ADAEHN CC1(C)COCCN1[C@H]1CCC[C@@H]1O 42462742 171085960 /nfs/dbraw/zinc/08/59/60/171085960.db2.gz XTWPBGCUYBAAIX-UWVGGRQHSA-N 0 3 199.294 1.011 10 0 ADAEHN COc1ccccc1COC1CNC1 42769783 171086450 /nfs/dbraw/zinc/08/64/50/171086450.db2.gz PPJRRCVKKMRTSR-UHFFFAOYSA-N 0 3 193.246 1.184 10 0 ADAEHN CC(C)O[C@@H](CN)c1ccccn1 43342878 171087159 /nfs/dbraw/zinc/08/71/59/171087159.db2.gz VPICSBQRZTUAKH-JTQLQIEISA-N 0 3 180.251 1.506 10 0 ADAEHN CN(C)c1nc2c(cc1CN)CCC2 43405082 171087500 /nfs/dbraw/zinc/08/75/00/171087500.db2.gz KUKCPMJGVZWARQ-UHFFFAOYSA-N 0 3 191.278 1.095 10 0 ADAEHN Cc1ccnc(-n2cc(CN)cn2)c1 43671275 171088991 /nfs/dbraw/zinc/08/89/91/171088991.db2.gz UMBALIJUAGQYOO-UHFFFAOYSA-N 0 3 188.234 1.034 10 0 ADAEHN NC/C(Cl)=C\Cl 44249287 171089963 /nfs/dbraw/zinc/08/99/63/171089963.db2.gz ZBQLNGPKALTYHE-HNQUOIGGSA-N 0 3 125.986 1.264 10 0 ADAEHN CC(=O)C[C@@H]1CCCN(C)C1 44491576 171090678 /nfs/dbraw/zinc/09/06/78/171090678.db2.gz FCSIGUJMODLKOE-VIFPVBQESA-N 0 3 155.241 1.307 10 0 ADAEHN C[C@H]1CN=C(N[C@@H]2CC2(C)C)S1 45136059 171091095 /nfs/dbraw/zinc/09/10/95/171091095.db2.gz VARVRSNTOHVRMO-NKWVEPMBSA-N 0 3 184.308 1.866 10 0 ADAEHN C[C@@H]1CN=C(N[C@H]2CC2(C)C)S1 45136060 171091118 /nfs/dbraw/zinc/09/11/18/171091118.db2.gz VARVRSNTOHVRMO-RQJHMYQMSA-N 0 3 184.308 1.866 10 0 ADAEHN C[C@H]1CN=C(N[C@H]2CC2(C)C)S1 45136061 171091126 /nfs/dbraw/zinc/09/11/26/171091126.db2.gz VARVRSNTOHVRMO-BQBZGAKWSA-N 0 3 184.308 1.866 10 0 ADAEHN C[C@@H]1CN=C(N[C@@H]2CC2(C)C)S1 45136058 171091481 /nfs/dbraw/zinc/09/14/81/171091481.db2.gz VARVRSNTOHVRMO-RNFRBKRXSA-N 0 3 184.308 1.866 10 0 ADAEHN CC1(C)C[C@H]1NC(=O)[C@@](C)(N)C1CC1 45136483 171092341 /nfs/dbraw/zinc/09/23/41/171092341.db2.gz ZHUQHJFCQXCJNK-KCJUWKMLSA-N 0 3 196.294 1.029 10 0 ADAEHN CC1(C)C[C@@H]1NC(=O)C1(N)CCCC1 45136484 171092364 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CCCc1ncc2c(n1)CCC[C@@H]2N 50094122 171096113 /nfs/dbraw/zinc/09/61/13/171096113.db2.gz HJVPQWUBHDRFSJ-VIFPVBQESA-N 0 3 191.278 1.765 10 0 ADAEHN CNc1ccc(CN(C)C)cn1 50792940 171096494 /nfs/dbraw/zinc/09/64/94/171096494.db2.gz RFSACRHIFXCDMK-UHFFFAOYSA-N 0 3 165.240 1.185 10 0 ADAEHN CNc1ccc(CN2CCCC2)cn1 50792179 171096814 /nfs/dbraw/zinc/09/68/14/171096814.db2.gz VOSAPGRTJXFNJM-UHFFFAOYSA-N 0 3 191.278 1.719 10 0 ADAEHN CC(=O)Nc1cc(CN)ccc1C 50430590 171097037 /nfs/dbraw/zinc/09/70/37/171097037.db2.gz CTAIUKWTUISPJN-UHFFFAOYSA-N 0 3 178.235 1.412 10 0 ADAEHN CN(C)c1ncc(CN)cc1Cl 51396490 171097260 /nfs/dbraw/zinc/09/72/60/171097260.db2.gz OTLSPIYKKHMJHA-UHFFFAOYSA-N 0 3 185.658 1.260 10 0 ADAEHN C[C@H]1CN=C(NC2CCC2)S1 52212153 171097606 /nfs/dbraw/zinc/09/76/06/171097606.db2.gz FKJSEUJHMFQNHQ-LURJTMIESA-N 0 3 170.281 1.620 10 0 ADAEHN C[C@@H]1CN=C(NC2CCC2)S1 52212151 171097796 /nfs/dbraw/zinc/09/77/96/171097796.db2.gz FKJSEUJHMFQNHQ-ZCFIWIBFSA-N 0 3 170.281 1.620 10 0 ADAEHN 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179.219 1.059 10 0 ADAEHN NC[C@H]1OC[C@H](c2ccccc2)O1 57936135 171100494 /nfs/dbraw/zinc/10/04/94/171100494.db2.gz QTBAFVKULXNRDK-ZJUUUORDSA-N 0 3 179.219 1.059 10 0 ADAEHN NC[C@@H]1OC[C@H](c2ccc(F)cc2)O1 57937700 171100596 /nfs/dbraw/zinc/10/05/96/171100596.db2.gz XURXBUGQSVLLDQ-NXEZZACHSA-N 0 3 197.209 1.198 10 0 ADAEHN NC[C@H]1OC[C@@H](c2cccs2)O1 57936493 171100600 /nfs/dbraw/zinc/10/06/00/171100600.db2.gz VGBOLYJDTXDNQG-XPUUQOCRSA-N 0 3 185.248 1.121 10 0 ADAEHN NC[C@@H]1OC[C@H](c2cccs2)O1 57936502 171100611 /nfs/dbraw/zinc/10/06/11/171100611.db2.gz VGBOLYJDTXDNQG-HTRCEHHLSA-N 0 3 185.248 1.121 10 0 ADAEHN NC[C@@H]1OC[C@@H](c2cccc(F)c2)O1 57937716 171100626 /nfs/dbraw/zinc/10/06/26/171100626.db2.gz RFBBGHPVSQCJPE-VHSXEESVSA-N 0 3 197.209 1.198 10 0 ADAEHN NC[C@H]1OC[C@@H](c2ccccc2F)O1 57937673 171100637 /nfs/dbraw/zinc/10/06/37/171100637.db2.gz SPEOIGDDWAUYIB-UWVGGRQHSA-N 0 3 197.209 1.198 10 0 ADAEHN NC[C@H]1OC[C@H](c2cccs2)O1 57936496 171100674 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/nfs/dbraw/zinc/35/96/59/343359659.db2.gz HZRRSBFKQRXEJN-KYHHOPLUSA-N 0 3 198.310 1.371 10 0 ADAEHN C[C@H](C(N)=O)N(C)C1CCCCCC1 61679108 343359718 /nfs/dbraw/zinc/35/97/18/343359718.db2.gz NPPTULMIWBGLIA-SECBINFHSA-N 0 3 198.310 1.515 10 0 ADAEHN CC[C@H](C(N)=O)N1CC[C@H](C)C[C@@H]1C 61679502 343359808 /nfs/dbraw/zinc/35/98/08/343359808.db2.gz JPIUYBGQEHMZSJ-LPEHRKFASA-N 0 3 198.310 1.371 10 0 ADAEHN Cc1nc(C)c(C(C)C)c(NN)n1 61688973 343360672 /nfs/dbraw/zinc/36/06/72/343360672.db2.gz BMLNTQNZKBQJSJ-UHFFFAOYSA-N 0 3 180.255 1.502 10 0 ADAEHN CCc1nc(C)c(C(C)C)c(NN)n1 61688974 343360815 /nfs/dbraw/zinc/36/08/15/343360815.db2.gz XHACZBBPRGCWTP-UHFFFAOYSA-N 0 3 194.282 1.756 10 0 ADAEHN Cc1ccc(NCCN(C)C)cc1N 61700809 343360883 /nfs/dbraw/zinc/36/08/83/343360883.db2.gz FXPDBMUWCKGSJN-UHFFFAOYSA-N 0 3 193.294 1.551 10 0 ADAEHN CC(C)Nc1ccnc(C(=N)N)c1 61814371 343364042 /nfs/dbraw/zinc/36/40/42/343364042.db2.gz BFHAXHNQCGVMEP-UHFFFAOYSA-N 0 3 178.239 1.186 10 0 ADAEHN CC(C)Nc1ccnc(CN)c1 61811755 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343382885 /nfs/dbraw/zinc/38/28/85/343382885.db2.gz AAOFYDMWSJEMRL-UHFFFAOYSA-N 0 3 188.234 1.191 10 0 ADAEHN CNCc1cnc(-c2cccnc2)[nH]1 62820919 343382886 /nfs/dbraw/zinc/38/28/86/343382886.db2.gz AAOFYDMWSJEMRL-UHFFFAOYSA-N 0 3 188.234 1.191 10 0 ADAEHN CC(C)Cc1nc(CN)c[nH]1 62820796 343382900 /nfs/dbraw/zinc/38/29/00/343382900.db2.gz DGNFZSKJPIJGAG-UHFFFAOYSA-N 0 3 153.229 1.067 10 0 ADAEHN CCCNC(=N)c1ncccc1C 62994685 343395844 /nfs/dbraw/zinc/39/58/44/343395844.db2.gz CADFQIYORFDBQG-UHFFFAOYSA-N 0 3 177.251 1.715 10 0 ADAEHN N=C(NC1CC1)c1cccs1 62994798 343395712 /nfs/dbraw/zinc/39/57/12/343395712.db2.gz VSJMHBMSBUROHE-UHFFFAOYSA-N 0 3 166.249 1.825 10 0 ADAEHN Cc1cccnc1C(=N)NC1CC1 62994839 343395750 /nfs/dbraw/zinc/39/57/50/343395750.db2.gz LRHWWDIZFLPJHI-UHFFFAOYSA-N 0 3 175.235 1.467 10 0 ADAEHN N=C(NC1CC1)c1ccccn1 62994801 343395775 /nfs/dbraw/zinc/39/57/75/343395775.db2.gz UJGBENRYSOIMNC-UHFFFAOYSA-N 0 3 161.208 1.159 10 0 ADAEHN Cc1cccnc1C(=N)NC(C)C 62994761 343395789 /nfs/dbraw/zinc/39/57/89/343395789.db2.gz AUIRVXCAIVKETN-UHFFFAOYSA-N 0 3 177.251 1.713 10 0 ADAEHN CC(C)(C)NC(=N)c1ccccn1 62994885 343395900 /nfs/dbraw/zinc/39/59/00/343395900.db2.gz RPNXXZWCNDASQF-UHFFFAOYSA-N 0 3 177.251 1.795 10 0 ADAEHN CC(C)NC(=N)c1ccccn1 62994724 343395906 /nfs/dbraw/zinc/39/59/06/343395906.db2.gz RFUCTFSJCWTEIS-UHFFFAOYSA-N 0 3 163.224 1.405 10 0 ADAEHN Cc1cccnc1C(=N)NCC(C)C 62995019 343396152 /nfs/dbraw/zinc/39/61/52/343396152.db2.gz UVUTZTITHNQTKH-UHFFFAOYSA-N 0 3 191.278 1.961 10 0 ADAEHN N=C(CC(F)(F)F)N1CCOCC1 62995581 343396178 /nfs/dbraw/zinc/39/61/78/343396178.db2.gz ZJZWTQMKAZILAA-UHFFFAOYSA-N 0 3 196.172 1.248 10 0 ADAEHN N=C(c1ccccn1)N1CCCC1 62995373 343396256 /nfs/dbraw/zinc/39/62/56/343396256.db2.gz PUHOXJZYNGXIKF-UHFFFAOYSA-N 0 3 175.235 1.503 10 0 ADAEHN COc1cc(C(=[NH2+])N(C)C)ccc1[O-] 62995173 343396336 /nfs/dbraw/zinc/39/63/36/343396336.db2.gz ZMOTUQXUFDKWGC-UHFFFAOYSA-N 0 3 194.234 1.288 10 0 ADAEHN CN(C)CCc1nc2ccccc2[nH]1 63012034 343396836 /nfs/dbraw/zinc/39/68/36/343396836.db2.gz HLELOHQPJDTUAB-UHFFFAOYSA-N 0 3 189.262 1.667 10 0 ADAEHN C[C@@H]1C[C@H]1NCc1ccoc1 63047499 343398141 /nfs/dbraw/zinc/39/81/41/343398141.db2.gz XNAJBUHQCVLONT-VXNVDRBHSA-N 0 3 151.209 1.778 10 0 ADAEHN O[C@@H]1CCCC[C@@H]1NCc1ccoc1 63047496 343398195 /nfs/dbraw/zinc/39/81/95/343398195.db2.gz CZIDSVLKBGSOPB-WDEREUQCSA-N 0 3 195.262 1.673 10 0 ADAEHN C[C@@H]1C[C@@H]1NCc1ccoc1 63047497 343398239 /nfs/dbraw/zinc/39/82/39/343398239.db2.gz XNAJBUHQCVLONT-APPZFPTMSA-N 0 3 151.209 1.778 10 0 ADAEHN O[C@H]1CCCC[C@@H]1NCc1ccoc1 63047494 343398313 /nfs/dbraw/zinc/39/83/13/343398313.db2.gz CZIDSVLKBGSOPB-QWRGUYRKSA-N 0 3 195.262 1.673 10 0 ADAEHN O[C@H]1CCCC[C@H]1NCc1ccoc1 63047493 343398364 /nfs/dbraw/zinc/39/83/64/343398364.db2.gz CZIDSVLKBGSOPB-MNOVXSKESA-N 0 3 195.262 1.673 10 0 ADAEHN C[C@H]1C[C@@H]1NCc1ccoc1 63047498 343398385 /nfs/dbraw/zinc/39/83/85/343398385.db2.gz XNAJBUHQCVLONT-CBAPKCEASA-N 0 3 151.209 1.778 10 0 ADAEHN C[C@H]1C[C@H]1NCc1ccoc1 63047500 343398402 /nfs/dbraw/zinc/39/84/02/343398402.db2.gz XNAJBUHQCVLONT-IONNQARKSA-N 0 3 151.209 1.778 10 0 ADAEHN COC(=O)[C@@H](C)N1CCCC1(C)C 63067614 343400214 /nfs/dbraw/zinc/40/02/14/343400214.db2.gz CBJAAXKDYPNPAN-MRVPVSSYSA-N 0 3 185.267 1.422 10 0 ADAEHN CCC(=O)CN1CCCC1(C)C 63071800 343400251 /nfs/dbraw/zinc/40/02/51/343400251.db2.gz OGHSHAMRNZYQLO-UHFFFAOYSA-N 0 3 169.268 1.840 10 0 ADAEHN CC(=O)[C@H](C)N1CCCC1(C)C 63071697 343400296 /nfs/dbraw/zinc/40/02/96/343400296.db2.gz KRXCOSKGSWOWFI-QMMMGPOBSA-N 0 3 169.268 1.838 10 0 ADAEHN CC(C)[C@@H](N)C(=O)N1CCCC1(C)C 63071994 343400372 /nfs/dbraw/zinc/40/03/72/343400372.db2.gz OGYUUHLNUQJFLV-SECBINFHSA-N 0 3 198.310 1.371 10 0 ADAEHN CC(C)(N)C(=O)N1CCCC1(C)C 63071896 343400438 /nfs/dbraw/zinc/40/04/38/343400438.db2.gz OSVVKEYUZNZAEC-UHFFFAOYSA-N 0 3 184.283 1.125 10 0 ADAEHN COC(=O)[C@H](C)N1CCCC1(C)C 63067613 343400509 /nfs/dbraw/zinc/40/05/09/343400509.db2.gz CBJAAXKDYPNPAN-QMMMGPOBSA-N 0 3 185.267 1.422 10 0 ADAEHN CC(=O)CN1CCCC1(C)C 63071725 343400564 /nfs/dbraw/zinc/40/05/64/343400564.db2.gz AWAPVXZMSLJTML-UHFFFAOYSA-N 0 3 155.241 1.450 10 0 ADAEHN CC(=O)[C@@H](C)N1CCCC1(C)C 63071698 343400721 /nfs/dbraw/zinc/40/07/21/343400721.db2.gz KRXCOSKGSWOWFI-MRVPVSSYSA-N 0 3 169.268 1.838 10 0 ADAEHN Cn1ccnc1NCCC(F)(F)F 63100526 343402449 /nfs/dbraw/zinc/40/24/49/343402449.db2.gz DCOYDHQEXRWVGV-UHFFFAOYSA-N 0 3 193.172 1.784 10 0 ADAEHN FC(F)(F)CCNC1=NCCS1 63100802 343402491 /nfs/dbraw/zinc/40/24/91/343402491.db2.gz PIIUSHXITZGUBS-UHFFFAOYSA-N 0 3 198.213 1.631 10 0 ADAEHN O[C@@H]1CCC[C@@H]1NCc1ccsc1 63152914 343403034 /nfs/dbraw/zinc/40/30/34/343403034.db2.gz MBRNNAIUXVJLQK-VHSXEESVSA-N 0 3 197.303 1.751 10 0 ADAEHN O[C@H]1CCC[C@H]1NCc1ccsc1 63152911 343403197 /nfs/dbraw/zinc/40/31/97/343403197.db2.gz MBRNNAIUXVJLQK-ZJUUUORDSA-N 0 3 197.303 1.751 10 0 ADAEHN c1cc(CNC2=NCCS2)cs1 63154060 343403563 /nfs/dbraw/zinc/40/35/63/343403563.db2.gz QNXPLIBOZBRQQS-UHFFFAOYSA-N 0 3 198.316 1.941 10 0 ADAEHN Cc1nc(C(F)(F)F)sc1CN 63772402 343407249 /nfs/dbraw/zinc/40/72/49/343407249.db2.gz DJEPTWWYSJUXML-UHFFFAOYSA-N 0 3 196.197 1.929 10 0 ADAEHN C[C@H](CN(C)C)NCc1ccco1 64875640 343407695 /nfs/dbraw/zinc/40/76/95/343407695.db2.gz QBZBYZBSLKVVMS-SECBINFHSA-N 0 3 182.267 1.319 10 0 ADAEHN COC[C@H]1CNC2(CCCCC2)CO1 68890863 343413192 /nfs/dbraw/zinc/41/31/92/343413192.db2.gz NPGJVFCIPXVANI-SNVBAGLBSA-N 0 3 199.294 1.324 10 0 ADAEHN COC[C@@H]1CNC2(CCCCC2)CO1 68890862 343413293 /nfs/dbraw/zinc/41/32/93/343413293.db2.gz NPGJVFCIPXVANI-JTQLQIEISA-N 0 3 199.294 1.324 10 0 ADAEHN C[C@H]1CCCN1CC(=O)C1CC1 68894656 343413754 /nfs/dbraw/zinc/41/37/54/343413754.db2.gz BOZWDTHVSVEOQI-QMMMGPOBSA-N 0 3 167.252 1.450 10 0 ADAEHN C[C@@H]1CCN(CC(=O)C2CC2)C1 68894716 343413788 /nfs/dbraw/zinc/41/37/88/343413788.db2.gz SNHUOPSJCVMZOH-MRVPVSSYSA-N 0 3 167.252 1.307 10 0 ADAEHN C[C@@H]1CCCN1CC(=O)C1CC1 68894653 343413805 /nfs/dbraw/zinc/41/38/05/343413805.db2.gz BOZWDTHVSVEOQI-MRVPVSSYSA-N 0 3 167.252 1.450 10 0 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/nfs/dbraw/zinc/41/59/82/343415982.db2.gz VRCXXJRQNKRPFU-MRVPVSSYSA-N 0 3 193.294 1.629 10 0 ADAEHN CCNCc1nc2c([nH]1)CCCCC2 68945960 343416088 /nfs/dbraw/zinc/41/60/88/343416088.db2.gz YKLRXYMNYVEURJ-UHFFFAOYSA-N 0 3 193.294 1.788 10 0 ADAEHN CCC[C@H]1CCc2[nH]c(CN)nc2C1 68945875 343416167 /nfs/dbraw/zinc/41/61/67/343416167.db2.gz IQUKPRFAXOOHIQ-QMMMGPOBSA-N 0 3 193.294 1.773 10 0 ADAEHN CCC[C@H]1CCc2nc(CN)[nH]c2C1 68945875 343416169 /nfs/dbraw/zinc/41/61/69/343416169.db2.gz IQUKPRFAXOOHIQ-QMMMGPOBSA-N 0 3 193.294 1.773 10 0 ADAEHN CNCc1nc2c([nH]1)CCCCC2 68945933 343416187 /nfs/dbraw/zinc/41/61/87/343416187.db2.gz PDXLFOGIQWQIEV-UHFFFAOYSA-N 0 3 179.267 1.398 10 0 ADAEHN CC[C@@H]1CCc2[nH]c(CN)nc2C1 68945885 343416200 /nfs/dbraw/zinc/41/62/00/343416200.db2.gz JSIMLHKLXREWDT-SSDOTTSWSA-N 0 3 179.267 1.383 10 0 ADAEHN CC[C@@H]1CCc2nc(CN)[nH]c2C1 68945885 343416201 /nfs/dbraw/zinc/41/62/01/343416201.db2.gz JSIMLHKLXREWDT-SSDOTTSWSA-N 0 3 179.267 1.383 10 0 ADAEHN 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/nfs/dbraw/zinc/41/83/74/343418374.db2.gz JKTJPAPSCVGJMD-UHFFFAOYSA-N 0 3 195.262 1.583 10 0 ADAEHN O[C@@]1(c2ccoc2)CCN(C2CC2)C1 68978965 343418398 /nfs/dbraw/zinc/41/83/98/343418398.db2.gz SKMFUVXBPQXJSL-NSHDSACASA-N 0 3 193.246 1.335 10 0 ADAEHN O[C@]1(c2ccoc2)CCN(C2CC2)C1 68978966 343418437 /nfs/dbraw/zinc/41/84/37/343418437.db2.gz SKMFUVXBPQXJSL-LLVKDONJSA-N 0 3 193.246 1.335 10 0 ADAEHN O[C@@]1(c2ccco2)CCN(C2CC2)C1 68978968 343418470 /nfs/dbraw/zinc/41/84/70/343418470.db2.gz MCXSQASHSYYDSJ-NSHDSACASA-N 0 3 193.246 1.335 10 0 ADAEHN N[C@H](Cc1ccncc1)c1ccco1 68980033 343418693 /nfs/dbraw/zinc/41/86/93/343418693.db2.gz LEEABQXZCAFXGJ-SNVBAGLBSA-N 0 3 188.230 1.917 10 0 ADAEHN CSC[C@H](N)c1ccoc1 68980064 343418734 /nfs/dbraw/zinc/41/87/34/343418734.db2.gz OITZZRIOKHTYCX-ZETCQYMHSA-N 0 3 157.238 1.642 10 0 ADAEHN CSC[C@@H](N)c1ccoc1 68980066 343418766 /nfs/dbraw/zinc/41/87/66/343418766.db2.gz OITZZRIOKHTYCX-SSDOTTSWSA-N 0 3 157.238 1.642 10 0 ADAEHN N[C@H](Cc1cccnc1)c1ccoc1 68980003 343418952 /nfs/dbraw/zinc/41/89/52/343418952.db2.gz WYEJOWGSCRDGRH-LLVKDONJSA-N 0 3 188.230 1.917 10 0 ADAEHN N[C@@H](Cc1ccncc1)c1ccco1 68980035 343418961 /nfs/dbraw/zinc/41/89/61/343418961.db2.gz LEEABQXZCAFXGJ-JTQLQIEISA-N 0 3 188.230 1.917 10 0 ADAEHN N[C@H](c1ccncc1)c1ccoc1 68979645 343418990 /nfs/dbraw/zinc/41/89/90/343418990.db2.gz FUWHNQUKDLNVNG-SNVBAGLBSA-N 0 3 174.203 1.723 10 0 ADAEHN N[C@@H](c1ccncc1)c1ccoc1 68979641 343418996 /nfs/dbraw/zinc/41/89/96/343418996.db2.gz FUWHNQUKDLNVNG-JTQLQIEISA-N 0 3 174.203 1.723 10 0 ADAEHN N[C@@H](Cc1cccnc1)c1ccoc1 68980000 343419033 /nfs/dbraw/zinc/41/90/33/343419033.db2.gz WYEJOWGSCRDGRH-NSHDSACASA-N 0 3 188.230 1.917 10 0 ADAEHN CSCCNc1nccn1C 69012456 343420483 /nfs/dbraw/zinc/42/04/83/343420483.db2.gz KRCZOJHFDOLRLH-UHFFFAOYSA-N 0 3 171.269 1.195 10 0 ADAEHN CSCCNc1ccncc1 69012586 343420512 /nfs/dbraw/zinc/42/05/12/343420512.db2.gz QYQFHERIXCAZQP-UHFFFAOYSA-N 0 3 168.265 1.857 10 0 ADAEHN CSCCNC1=NC[C@@H](C)S1 69014456 343421174 /nfs/dbraw/zinc/42/11/74/343421174.db2.gz YRHVAORIDBVGNT-ZCFIWIBFSA-N 0 3 190.337 1.430 10 0 ADAEHN CSCCNC1=N[C@H](C)CS1 69014481 343421157 /nfs/dbraw/zinc/42/11/57/343421157.db2.gz GRTVBFPCAFDYPU-ZCFIWIBFSA-N 0 3 190.337 1.430 10 0 ADAEHN CSCCNC1=NC[C@H](C)S1 69014458 343421191 /nfs/dbraw/zinc/42/11/91/343421191.db2.gz YRHVAORIDBVGNT-LURJTMIESA-N 0 3 190.337 1.430 10 0 ADAEHN CSCCNC1=N[C@@H](C)CS1 69014483 343421255 /nfs/dbraw/zinc/42/12/55/343421255.db2.gz GRTVBFPCAFDYPU-LURJTMIESA-N 0 3 190.337 1.430 10 0 ADAEHN CSCCNC1=NCCS1 69014487 343421307 /nfs/dbraw/zinc/42/13/07/343421307.db2.gz QYUCCVDEXPOUEP-UHFFFAOYSA-N 0 3 176.310 1.042 10 0 ADAEHN Cn1nccc1[C@@H](N)C1CCCC1 69021041 343421460 /nfs/dbraw/zinc/42/14/60/343421460.db2.gz PZOUDUOACPZAJM-JTQLQIEISA-N 0 3 179.267 1.610 10 0 ADAEHN CCC[C@H](N)c1ccnn1C 69020612 343421472 /nfs/dbraw/zinc/42/14/72/343421472.db2.gz OGKWTLMXHAVSOZ-ZETCQYMHSA-N 0 3 153.229 1.220 10 0 ADAEHN Cn1nccc1[C@@H](N)CC(F)(F)F 69021126 343421492 /nfs/dbraw/zinc/42/14/92/343421492.db2.gz SYPSBOYZMJBRRW-YFKPBYRVSA-N 0 3 193.172 1.372 10 0 ADAEHN CC[C@H](NC)c1ccnn1C 69020871 343421498 /nfs/dbraw/zinc/42/14/98/343421498.db2.gz IIDHDXVUYOVKBY-ZETCQYMHSA-N 0 3 153.229 1.091 10 0 ADAEHN CC(C)C[C@H](N)c1ccnn1C 69020515 343421515 /nfs/dbraw/zinc/42/15/15/343421515.db2.gz NDUPCOHNUJUTQV-QMMMGPOBSA-N 0 3 167.256 1.466 10 0 ADAEHN CCC[C@@H](N)c1ccnn1C 69020618 343421541 /nfs/dbraw/zinc/42/15/41/343421541.db2.gz OGKWTLMXHAVSOZ-SSDOTTSWSA-N 0 3 153.229 1.220 10 0 ADAEHN Cn1nccc1[C@@H](N)C(C)(C)C 69020632 343421579 /nfs/dbraw/zinc/42/15/79/343421579.db2.gz VLFXLCNJWPOQEF-MRVPVSSYSA-N 0 3 167.256 1.466 10 0 ADAEHN Cn1nccc1[C@H](N)C1CCCC1 69021038 343421607 /nfs/dbraw/zinc/42/16/07/343421607.db2.gz PZOUDUOACPZAJM-SNVBAGLBSA-N 0 3 179.267 1.610 10 0 ADAEHN Cn1nccc1[C@H](N)C(C)(C)C 69020636 343421619 /nfs/dbraw/zinc/42/16/19/343421619.db2.gz VLFXLCNJWPOQEF-QMMMGPOBSA-N 0 3 167.256 1.466 10 0 ADAEHN CC[C@@H](NC)c1ccnn1C 69020875 343421640 /nfs/dbraw/zinc/42/16/40/343421640.db2.gz IIDHDXVUYOVKBY-SSDOTTSWSA-N 0 3 153.229 1.091 10 0 ADAEHN CC(C)C[C@@H](N)c1ccnn1C 69020520 343421696 /nfs/dbraw/zinc/42/16/96/343421696.db2.gz NDUPCOHNUJUTQV-MRVPVSSYSA-N 0 3 167.256 1.466 10 0 ADAEHN CC[C@H](C)[C@@H](N)c1ccnn1C 69021764 343421888 /nfs/dbraw/zinc/42/18/88/343421888.db2.gz BKPSVRCLVSGLKK-IONNQARKSA-N 0 3 167.256 1.466 10 0 ADAEHN CC[C@H](C)[C@H](N)c1ccnn1C 69021755 343421945 /nfs/dbraw/zinc/42/19/45/343421945.db2.gz BKPSVRCLVSGLKK-CBAPKCEASA-N 0 3 167.256 1.466 10 0 ADAEHN CC[C@@H](C)[C@H](N)c1ccnn1C 69021751 343422038 /nfs/dbraw/zinc/42/20/38/343422038.db2.gz BKPSVRCLVSGLKK-APPZFPTMSA-N 0 3 167.256 1.466 10 0 ADAEHN CC[C@@H](C)[C@@H](N)c1ccnn1C 69021759 343422121 /nfs/dbraw/zinc/42/21/21/343422121.db2.gz BKPSVRCLVSGLKK-VXNVDRBHSA-N 0 3 167.256 1.466 10 0 ADAEHN Cn1nccc1[C@H](N)CC(C)(C)C 69021827 343422141 /nfs/dbraw/zinc/42/21/41/343422141.db2.gz MDGBVIIFHHUNHO-MRVPVSSYSA-N 0 3 181.283 1.856 10 0 ADAEHN Cn1nccc1[C@@H](N)CC(C)(C)C 69021823 343422150 /nfs/dbraw/zinc/42/21/50/343422150.db2.gz MDGBVIIFHHUNHO-QMMMGPOBSA-N 0 3 181.283 1.856 10 0 ADAEHN CC[C@@H](N)c1ccnn1CC 69025145 343422327 /nfs/dbraw/zinc/42/23/27/343422327.db2.gz PMIDSCLRXWSGHH-SSDOTTSWSA-N 0 3 153.229 1.313 10 0 ADAEHN CCn1nccc1[C@@H](N)C(C)C 69025102 343422331 /nfs/dbraw/zinc/42/23/31/343422331.db2.gz FLIQREZKUOOJOD-VIFPVBQESA-N 0 3 167.256 1.559 10 0 ADAEHN CC[C@H](N)c1ccnn1CC 69025140 343422367 /nfs/dbraw/zinc/42/23/67/343422367.db2.gz PMIDSCLRXWSGHH-ZETCQYMHSA-N 0 3 153.229 1.313 10 0 ADAEHN CCn1nccc1[C@@H](N)C(C)(C)C 69025227 343422374 /nfs/dbraw/zinc/42/23/74/343422374.db2.gz TVVCRZSNVXFSQK-SECBINFHSA-N 0 3 181.283 1.949 10 0 ADAEHN CCn1nccc1[C@@H](C)NC 69025539 343422380 /nfs/dbraw/zinc/42/23/80/343422380.db2.gz YFROPSQXBCBESY-SSDOTTSWSA-N 0 3 153.229 1.183 10 0 ADAEHN CCn1nccc1[C@@H](N)C1CC1 69025204 343422386 /nfs/dbraw/zinc/42/23/86/343422386.db2.gz HGHIZQALDOAEPR-VIFPVBQESA-N 0 3 165.240 1.313 10 0 ADAEHN CCn1nccc1[C@H](N)C(C)C 69025096 343422422 /nfs/dbraw/zinc/42/24/22/343422422.db2.gz FLIQREZKUOOJOD-SECBINFHSA-N 0 3 167.256 1.559 10 0 ADAEHN CCn1nccc1[C@H](N)C(C)(C)C 69025222 343422449 /nfs/dbraw/zinc/42/24/49/343422449.db2.gz TVVCRZSNVXFSQK-VIFPVBQESA-N 0 3 181.283 1.949 10 0 ADAEHN CCn1nccc1[C@H](C)NC 69025544 343422486 /nfs/dbraw/zinc/42/24/86/343422486.db2.gz YFROPSQXBCBESY-ZETCQYMHSA-N 0 3 153.229 1.183 10 0 ADAEHN CCn1nccc1[C@H](N)C1CC1 69025196 343422544 /nfs/dbraw/zinc/42/25/44/343422544.db2.gz HGHIZQALDOAEPR-SECBINFHSA-N 0 3 165.240 1.313 10 0 ADAEHN CCCn1nccc1[C@H](C)N 69025151 343422597 /nfs/dbraw/zinc/42/25/97/343422597.db2.gz QQJXRHSRAKVHNB-ZETCQYMHSA-N 0 3 153.229 1.313 10 0 ADAEHN CCCn1nccc1[C@@H](C)N 69025149 343422606 /nfs/dbraw/zinc/42/26/06/343422606.db2.gz QQJXRHSRAKVHNB-SSDOTTSWSA-N 0 3 153.229 1.313 10 0 ADAEHN CC[C@H](NC)c1nccn1C 69029261 343422879 /nfs/dbraw/zinc/42/28/79/343422879.db2.gz QDTQGLQGJDLTFB-ZETCQYMHSA-N 0 3 153.229 1.091 10 0 ADAEHN CN[C@H](c1nccn1C)C1CCCC1 69029414 343422921 /nfs/dbraw/zinc/42/29/21/343422921.db2.gz TYIZDXLOXADHGV-JTQLQIEISA-N 0 3 193.294 1.871 10 0 ADAEHN CN[C@@H](c1nccn1C)C(C)C 69029225 343422934 /nfs/dbraw/zinc/42/29/34/343422934.db2.gz ZOLCKGFZMBDYEJ-MRVPVSSYSA-N 0 3 167.256 1.337 10 0 ADAEHN CN[C@@H](c1nccn1C)C(C)(C)C 69029364 343422957 /nfs/dbraw/zinc/42/29/57/343422957.db2.gz WHNYXRSISWVFMQ-QMMMGPOBSA-N 0 3 181.283 1.727 10 0 ADAEHN CN[C@H](c1nccn1C)C(C)(C)C 69029360 343423046 /nfs/dbraw/zinc/42/30/46/343423046.db2.gz WHNYXRSISWVFMQ-MRVPVSSYSA-N 0 3 181.283 1.727 10 0 ADAEHN CCCn1ccnc1[C@H](C)N 69048037 343423246 /nfs/dbraw/zinc/42/32/46/343423246.db2.gz LUBSOPKQUKMCTG-ZETCQYMHSA-N 0 3 153.229 1.313 10 0 ADAEHN CCn1ccnc1[C@@H](C)NC 69048144 343423270 /nfs/dbraw/zinc/42/32/70/343423270.db2.gz PGSSRHAWLYDHOZ-SSDOTTSWSA-N 0 3 153.229 1.183 10 0 ADAEHN CCCn1ccnc1[C@@H](C)N 69048036 343423377 /nfs/dbraw/zinc/42/33/77/343423377.db2.gz LUBSOPKQUKMCTG-SSDOTTSWSA-N 0 3 153.229 1.313 10 0 ADAEHN CC[C@H](N)c1nccn1CC 69048033 343423526 /nfs/dbraw/zinc/42/35/26/343423526.db2.gz TYTQURFZVKYKPU-ZETCQYMHSA-N 0 3 153.229 1.313 10 0 ADAEHN CCn1ccnc1[C@@H](N)C1CC1 69048061 343423442 /nfs/dbraw/zinc/42/34/42/343423442.db2.gz JFSURWDXJCLMSO-QMMMGPOBSA-N 0 3 165.240 1.313 10 0 ADAEHN CCn1ccnc1[C@H](N)C1CC1 69048060 343423493 /nfs/dbraw/zinc/42/34/93/343423493.db2.gz JFSURWDXJCLMSO-MRVPVSSYSA-N 0 3 165.240 1.313 10 0 ADAEHN CC[C@@H](N)c1nccn1CC 69048035 343423553 /nfs/dbraw/zinc/42/35/53/343423553.db2.gz TYTQURFZVKYKPU-SSDOTTSWSA-N 0 3 153.229 1.313 10 0 ADAEHN CCn1ccnc1[C@H](N)C(C)C 69048024 343423600 /nfs/dbraw/zinc/42/36/00/343423600.db2.gz FIBMWXQLBCJLPB-MRVPVSSYSA-N 0 3 167.256 1.559 10 0 ADAEHN CCn1ccnc1[C@@H](N)C(C)C 69048025 343423621 /nfs/dbraw/zinc/42/36/21/343423621.db2.gz FIBMWXQLBCJLPB-QMMMGPOBSA-N 0 3 167.256 1.559 10 0 ADAEHN N[C@@H](CC(F)(F)F)c1cnccn1 69049218 343423734 /nfs/dbraw/zinc/42/37/34/343423734.db2.gz TTWFUJUERLQREI-YFKPBYRVSA-N 0 3 191.156 1.429 10 0 ADAEHN N[C@H](CC(F)(F)F)c1cnccn1 69049217 343423757 /nfs/dbraw/zinc/42/37/57/343423757.db2.gz TTWFUJUERLQREI-RXMQYKEDSA-N 0 3 191.156 1.429 10 0 ADAEHN CC(C)(C)C[C@H](N)c1cnccn1 69049353 343423792 /nfs/dbraw/zinc/42/37/92/343423792.db2.gz UDHZQUYWNVJPMX-QMMMGPOBSA-N 0 3 179.267 1.913 10 0 ADAEHN CC(C)(C)C[C@@H](N)c1cnccn1 69049354 343423819 /nfs/dbraw/zinc/42/38/19/343423819.db2.gz UDHZQUYWNVJPMX-MRVPVSSYSA-N 0 3 179.267 1.913 10 0 ADAEHN CNCc1ccc(F)c(F)c1F 69049539 343424154 /nfs/dbraw/zinc/42/41/54/343424154.db2.gz XLZZHCNZIRMXRL-UHFFFAOYSA-N 0 3 175.153 1.823 10 0 ADAEHN CCNCc1cncc(F)c1 69049554 343424365 /nfs/dbraw/zinc/42/43/65/343424365.db2.gz HBEXMSSMVKLETM-UHFFFAOYSA-N 0 3 154.188 1.330 10 0 ADAEHN CN[C@@H](C)c1cnn([C@@H]2CCOC2)c1 69625004 343426811 /nfs/dbraw/zinc/42/68/11/343426811.db2.gz ILWXPHSXWQGQRA-WCBMZHEXSA-N 0 3 195.266 1.125 10 0 ADAEHN CN[C@H](C)c1cnn([C@@H]2CCOC2)c1 69625007 343426895 /nfs/dbraw/zinc/42/68/95/343426895.db2.gz ILWXPHSXWQGQRA-PSASIEDQSA-N 0 3 195.266 1.125 10 0 ADAEHN CN[C@@H](C)c1cnn([C@H]2CCOC2)c1 69625009 343427106 /nfs/dbraw/zinc/42/71/06/343427106.db2.gz ILWXPHSXWQGQRA-WPRPVWTQSA-N 0 3 195.266 1.125 10 0 ADAEHN CC1(CN2CC[C@H](N)C2=O)CCCC1 69626714 343427400 /nfs/dbraw/zinc/42/74/00/343427400.db2.gz IJZKLKCFRMJIEL-VIFPVBQESA-N 0 3 196.294 1.126 10 0 ADAEHN CC1(CN2CC[C@@H](N)C2=O)CCCC1 69626719 343427687 /nfs/dbraw/zinc/42/76/87/343427687.db2.gz IJZKLKCFRMJIEL-SECBINFHSA-N 0 3 196.294 1.126 10 0 ADAEHN CCN[C@@H](C)c1ccoc1 69630851 343428504 /nfs/dbraw/zinc/42/85/04/343428504.db2.gz CQQRETZYHAZFIO-ZETCQYMHSA-N 0 3 139.198 1.950 10 0 ADAEHN CCN[C@H](C)c1ccoc1 69630855 343428723 /nfs/dbraw/zinc/42/87/23/343428723.db2.gz CQQRETZYHAZFIO-SSDOTTSWSA-N 0 3 139.198 1.950 10 0 ADAEHN Cc1ccsc1[C@@H]1CNCCO1 69636476 343429636 /nfs/dbraw/zinc/42/96/36/343429636.db2.gz XBLNHWHRCVBQNV-QMMMGPOBSA-N 0 3 183.276 1.717 10 0 ADAEHN Cc1ccsc1[C@H]1CNCCO1 69636479 343429758 /nfs/dbraw/zinc/42/97/58/343429758.db2.gz XBLNHWHRCVBQNV-MRVPVSSYSA-N 0 3 183.276 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LBUZMELGGWOSIX-UHFFFAOYSA-N 0 3 177.251 1.513 10 0 ADAEHN NC1(c2ncccn2)CCCCC1 70953277 343543818 /nfs/dbraw/zinc/54/38/18/343543818.db2.gz HMJRJSCNORMGRZ-UHFFFAOYSA-N 0 3 177.251 1.595 10 0 ADAEHN CC[C@](C)(N)c1nccc(C2CC2)n1 70951923 343543887 /nfs/dbraw/zinc/54/38/87/343543887.db2.gz SSCPERHVFXRJIO-NSHDSACASA-N 0 3 191.278 1.938 10 0 ADAEHN NC1(c2ncccn2)CCCC1 70953225 343543893 /nfs/dbraw/zinc/54/38/93/343543893.db2.gz DRUHCXXETSPPOM-UHFFFAOYSA-N 0 3 163.224 1.205 10 0 ADAEHN CCc1cc(C)nc(C(C)(C)N)n1 70951054 343543940 /nfs/dbraw/zinc/54/39/40/343543940.db2.gz LSKIQQZWRPXKJF-UHFFFAOYSA-N 0 3 179.267 1.541 10 0 ADAEHN Cc1cnc(C2(N)CCCCC2)nc1 70953285 343544036 /nfs/dbraw/zinc/54/40/36/343544036.db2.gz KPAYHJZGDLNSRI-UHFFFAOYSA-N 0 3 191.278 1.903 10 0 ADAEHN CCc1cc(C)nc([C@](C)(N)CC)n1 70951092 343544043 /nfs/dbraw/zinc/54/40/43/343544043.db2.gz RKJDLCKRQNLTFT-LLVKDONJSA-N 0 3 193.294 1.931 10 0 ADAEHN Cc1cc(C2CC2)nc(C(C)(C)N)n1 70951068 343544046 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71012374 343548549 /nfs/dbraw/zinc/54/85/49/343548549.db2.gz JQDRFNRUIUBNCK-JTQLQIEISA-N 0 3 180.251 1.283 10 0 ADAEHN c1cc(N[C@H]2CCCOC2)ccn1 71014516 343548725 /nfs/dbraw/zinc/54/87/25/343548725.db2.gz DPIISEKERIOLSK-JTQLQIEISA-N 0 3 178.235 1.673 10 0 ADAEHN Cn1ccnc1N[C@H]1CCCOC1 71014247 343549004 /nfs/dbraw/zinc/54/90/04/343549004.db2.gz QEZNOKCMMODZGQ-QMMMGPOBSA-N 0 3 181.239 1.011 10 0 ADAEHN Cc1ccc(CN)c(N[C@@H](C)CO)c1 71187492 343551412 /nfs/dbraw/zinc/55/14/12/343551412.db2.gz BMTMFVCZIYQUKU-VIFPVBQESA-N 0 3 194.278 1.246 10 0 ADAEHN Cc1ccc(CN)c(N[C@H](C)CO)c1 71187493 343551551 /nfs/dbraw/zinc/55/15/51/343551551.db2.gz BMTMFVCZIYQUKU-SECBINFHSA-N 0 3 194.278 1.246 10 0 ADAEHN C[C@H]1CNC[C@H](Cc2ccccc2)O1 71477401 343552827 /nfs/dbraw/zinc/55/28/27/343552827.db2.gz OPPQTAGNZOMODB-JQWIXIFHSA-N 0 3 191.274 1.606 10 0 ADAEHN C[C@H]1CNC[C@@H](Cc2ccccc2)O1 71477404 343553013 /nfs/dbraw/zinc/55/30/13/343553013.db2.gz OPPQTAGNZOMODB-CMPLNLGQSA-N 0 3 191.274 1.606 10 0 ADAEHN 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3 185.654 1.641 10 0 ADAEHN Cc1ccc([C@@H](N)CO)cc1F 72197313 343560775 /nfs/dbraw/zinc/56/07/75/343560775.db2.gz HUDLLSSBPHVCJR-VIFPVBQESA-N 0 3 169.199 1.126 10 0 ADAEHN Cc1ccc([C@H](N)CO)cc1Cl 72197556 343560856 /nfs/dbraw/zinc/56/08/56/343560856.db2.gz CVZQAXGCNWNQJE-SECBINFHSA-N 0 3 185.654 1.641 10 0 ADAEHN Cc1ccc([C@@H](N)CO)cc1Cl 72197557 343560867 /nfs/dbraw/zinc/56/08/67/343560867.db2.gz CVZQAXGCNWNQJE-VIFPVBQESA-N 0 3 185.654 1.641 10 0 ADAEHN CC(C)NCc1ccnc(Cl)n1 72194575 343560871 /nfs/dbraw/zinc/56/08/71/343560871.db2.gz UNAUCVUNRJNDJG-UHFFFAOYSA-N 0 3 185.658 1.628 10 0 ADAEHN Cc1cccc(C)c1[C@@H](N)CO 72197257 343560900 /nfs/dbraw/zinc/56/09/00/343560900.db2.gz JFQAARVENHNBAX-VIFPVBQESA-N 0 3 165.236 1.296 10 0 ADAEHN Cc1cc(O)cc(C)c1[C@H](N)CO 72197454 343560911 /nfs/dbraw/zinc/56/09/11/343560911.db2.gz YSAOUYCDDGZNOD-SECBINFHSA-N 0 3 181.235 1.001 10 0 ADAEHN CC(C)Oc1ccccc1[C@@H](N)CO 72197752 343560916 /nfs/dbraw/zinc/56/09/16/343560916.db2.gz UUFUGTYTUMYUFN-JTQLQIEISA-N 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127650296 343816507 /nfs/dbraw/zinc/81/65/07/343816507.db2.gz WNKFTNNQVOHRLQ-JTQLQIEISA-N 0 3 194.282 1.356 10 0 ADAEHN CCc1nnc([C@]2(C)CCCC[NH2+]2)[n-]1 127650296 343816509 /nfs/dbraw/zinc/81/65/09/343816509.db2.gz WNKFTNNQVOHRLQ-JTQLQIEISA-N 0 3 194.282 1.356 10 0 ADAEHN CCC(C)(C)[C@@H](N)c1ccnn1C 127679691 343816988 /nfs/dbraw/zinc/81/69/88/343816988.db2.gz FQJFQUBMXKTNFT-VIFPVBQESA-N 0 3 181.283 1.856 10 0 ADAEHN CCC(C)(C)[C@H](N)c1ccnn1C 127679418 343817089 /nfs/dbraw/zinc/81/70/89/343817089.db2.gz FQJFQUBMXKTNFT-SECBINFHSA-N 0 3 181.283 1.856 10 0 ADAEHN CCN[C@]1(C(F)F)C[C@H](C)N(C)C1 127781294 343818934 /nfs/dbraw/zinc/81/89/34/343818934.db2.gz RQSRFAWAIABILE-IONNQARKSA-N 0 3 192.253 1.324 10 0 ADAEHN CCN[C@]1(C(F)F)C[C@@H](C)N(C)C1 127781740 343819139 /nfs/dbraw/zinc/81/91/39/343819139.db2.gz RQSRFAWAIABILE-VXNVDRBHSA-N 0 3 192.253 1.324 10 0 ADAEHN CCN[C@@]1(C(F)F)C[C@@H](C)N(C)C1 127782004 343819182 /nfs/dbraw/zinc/81/91/82/343819182.db2.gz RQSRFAWAIABILE-APPZFPTMSA-N 0 3 192.253 1.324 10 0 ADAEHN CSC[C@H](C)Nc1nccn1C 127776632 343819218 /nfs/dbraw/zinc/81/92/18/343819218.db2.gz NDHCOFVEMUNKJQ-ZETCQYMHSA-N 0 3 185.296 1.584 10 0 ADAEHN CSC[C@@H](C)Nc1nccn1C 127776828 343819230 /nfs/dbraw/zinc/81/92/30/343819230.db2.gz NDHCOFVEMUNKJQ-SSDOTTSWSA-N 0 3 185.296 1.584 10 0 ADAEHN CCN[C@@]1(C(F)F)C[C@H](C)N(C)C1 127781517 343819251 /nfs/dbraw/zinc/81/92/51/343819251.db2.gz RQSRFAWAIABILE-CBAPKCEASA-N 0 3 192.253 1.324 10 0 ADAEHN CN(Cc1cccc(N)n1)C1CCC1 127804070 343819547 /nfs/dbraw/zinc/81/95/47/343819547.db2.gz QEURVZGHDYMDBX-UHFFFAOYSA-N 0 3 191.278 1.648 10 0 ADAEHN CSC[C@@H](C)NC1=NCCS1 127841767 343820244 /nfs/dbraw/zinc/82/02/44/343820244.db2.gz WWAHZSGXHKFBMS-ZCFIWIBFSA-N 0 3 190.337 1.430 10 0 ADAEHN CN(c1ccncc1CN)C1CCC1 127872660 343820504 /nfs/dbraw/zinc/82/05/04/343820504.db2.gz MHWHCOIYLBVLJJ-UHFFFAOYSA-N 0 3 191.278 1.529 10 0 ADAEHN CSC[C@H](C)NC1=NCCS1 127841526 343820585 /nfs/dbraw/zinc/82/05/85/343820585.db2.gz WWAHZSGXHKFBMS-LURJTMIESA-N 0 3 190.337 1.430 10 0 ADAEHN C[C@H]([NH3+])Cc1c([O-])cccc1Cl 127991478 343823067 /nfs/dbraw/zinc/82/30/67/343823067.db2.gz UYESSTNRMKKQRC-LURJTMIESA-N 0 3 185.654 1.935 10 0 ADAEHN C[C@@H]([NH3+])Cc1c([O-])cccc1Cl 127991706 343823240 /nfs/dbraw/zinc/82/32/40/343823240.db2.gz UYESSTNRMKKQRC-ZCFIWIBFSA-N 0 3 185.654 1.935 10 0 ADAEHN CC1(C)CC[C@@H](N2CC[C@@H](N)C2=O)C1 128042868 343823461 /nfs/dbraw/zinc/82/34/61/343823461.db2.gz IIIGCXACKOSHAQ-RKDXNWHRSA-N 0 3 196.294 1.125 10 0 ADAEHN CC1(C)CC[C@@H](N2CC[C@H](N)C2=O)C1 128042420 343823522 /nfs/dbraw/zinc/82/35/22/343823522.db2.gz IIIGCXACKOSHAQ-BDAKNGLRSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@@H]1CC[C@H](N2CCC[C@H](N)C2=O)C1 128040319 343823543 /nfs/dbraw/zinc/82/35/43/343823543.db2.gz PUHSAHMRLDMZIU-UTLUCORTSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@@H]1CC[C@@H](N2CCC[C@H](N)C2=O)C1 128040817 343823584 /nfs/dbraw/zinc/82/35/84/343823584.db2.gz PUHSAHMRLDMZIU-BBBLOLIVSA-N 0 3 196.294 1.125 10 0 ADAEHN CC1(C)CC[C@H](N2CC[C@H](N)C2=O)C1 128042203 343823613 /nfs/dbraw/zinc/82/36/13/343823613.db2.gz IIIGCXACKOSHAQ-IUCAKERBSA-N 0 3 196.294 1.125 10 0 ADAEHN C[C@H]1CC[C@H](n2cncc2CN)C1 128091014 343824713 /nfs/dbraw/zinc/82/47/13/343824713.db2.gz IAWOCVJPXRQGSI-IUCAKERBSA-N 0 3 179.267 1.703 10 0 ADAEHN C[C@H]1CC[C@@H](n2cncc2CN)C1 128091468 343824792 /nfs/dbraw/zinc/82/47/92/343824792.db2.gz IAWOCVJPXRQGSI-DTWKUNHWSA-N 0 3 179.267 1.703 10 0 ADAEHN Cn1nncc1[C@@H](N)C1CCCCC1 128316503 343828699 /nfs/dbraw/zinc/82/86/99/343828699.db2.gz HCDVHBNUSAFJOW-JTQLQIEISA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1nncc1[C@H](N)C1CCCCC1 128316280 343828844 /nfs/dbraw/zinc/82/88/44/343828844.db2.gz HCDVHBNUSAFJOW-SNVBAGLBSA-N 0 3 194.282 1.395 10 0 ADAEHN Cn1nncc1[C@@H](N)C1CCCC1 128356358 343829304 /nfs/dbraw/zinc/82/93/04/343829304.db2.gz LIPVJIAJUCDDCO-VIFPVBQESA-N 0 3 180.255 1.005 10 0 ADAEHN CCC(CC)CN1CC(O)C1 128355026 343829333 /nfs/dbraw/zinc/82/93/33/343829333.db2.gz CCAMZBRKCARLDK-UHFFFAOYSA-N 0 3 157.257 1.099 10 0 ADAEHN CC1(O)CN(C2CCCCCC2)C1 128356779 343829356 /nfs/dbraw/zinc/82/93/56/343829356.db2.gz PTVCAHWDJGZAEJ-UHFFFAOYSA-N 0 3 183.295 1.776 10 0 ADAEHN Cn1nncc1[C@H](N)C1CCCC1 128356142 343829523 /nfs/dbraw/zinc/82/95/23/343829523.db2.gz LIPVJIAJUCDDCO-SECBINFHSA-N 0 3 180.255 1.005 10 0 ADAEHN C[C@H](CO)CN(C)Cc1cccnc1 128370071 343830182 /nfs/dbraw/zinc/83/01/82/343830182.db2.gz GRRUAVNGPRFAAD-JTQLQIEISA-N 0 3 194.278 1.142 10 0 ADAEHN C[C@@H](CO)CN(C)Cc1ccccn1 128374685 343830233 /nfs/dbraw/zinc/83/02/33/343830233.db2.gz UCLWHVSIRVJNKU-SNVBAGLBSA-N 0 3 194.278 1.142 10 0 ADAEHN CC(C)=CCN(C)CC[C@H](C)O 128438234 343831246 /nfs/dbraw/zinc/83/12/46/343831246.db2.gz AXBCZBYIYODXTP-JTQLQIEISA-N 0 3 171.284 1.655 10 0 ADAEHN CC(C)=CCN(C)CC[C@@H](C)O 128438469 343831372 /nfs/dbraw/zinc/83/13/72/343831372.db2.gz AXBCZBYIYODXTP-SNVBAGLBSA-N 0 3 171.284 1.655 10 0 ADAEHN Cn1nncc1-c1ccc(CN)s1 128682259 343836220 /nfs/dbraw/zinc/83/62/20/343836220.db2.gz YKYGZKMUCLZQPO-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN Cn1nncc1-c1csc(CN)c1 128687692 343836258 /nfs/dbraw/zinc/83/62/58/343836258.db2.gz AYWAAQMQBBQZSL-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN Cn1nncc1[C@@H]1CCCCCN1 128815040 343837884 /nfs/dbraw/zinc/83/78/84/343837884.db2.gz ONXWIYLOIAIALT-QMMMGPOBSA-N 0 3 180.255 1.020 10 0 ADAEHN CC1CC(NCc2nccn2C)C1 128863489 343839596 /nfs/dbraw/zinc/83/95/96/343839596.db2.gz BTJTXCYZHMVOLF-UHFFFAOYSA-N 0 3 179.267 1.308 10 0 ADAEHN Fc1ccc(C=C2CNC2)cc1F 128931478 343840823 /nfs/dbraw/zinc/84/08/23/343840823.db2.gz GTPXOZMERIJILJ-UHFFFAOYSA-N 0 3 181.185 1.951 10 0 ADAEHN NC[C@H](O)c1cc(Cl)cs1 129033109 343843228 /nfs/dbraw/zinc/84/32/28/343843228.db2.gz RCRBOALZGFKITE-YFKPBYRVSA-N 0 3 177.656 1.394 10 0 ADAEHN CN(Cc1ccc(N)cn1)C1CC1 129045923 343843245 /nfs/dbraw/zinc/84/32/45/343843245.db2.gz FZELRJKPMKECKP-UHFFFAOYSA-N 0 3 177.251 1.258 10 0 ADAEHN CC(C)(C)NCc1ccc(N)cn1 129062370 343843671 /nfs/dbraw/zinc/84/36/71/343843671.db2.gz UXVMOSDJWHOHNW-UHFFFAOYSA-N 0 3 179.267 1.552 10 0 ADAEHN C[C@H]1CCCN1Cc1ccc(N)cn1 129060058 343843708 /nfs/dbraw/zinc/84/37/08/343843708.db2.gz ZKDXHVOQBCGCGW-VIFPVBQESA-N 0 3 191.278 1.648 10 0 ADAEHN C[C@@H]1CCCN1Cc1ccc(N)cn1 129059841 343843856 /nfs/dbraw/zinc/84/38/56/343843856.db2.gz ZKDXHVOQBCGCGW-SECBINFHSA-N 0 3 191.278 1.648 10 0 ADAEHN C[C@@H]1CCN(Cc2ccc(N)cn2)C1 129066120 343843893 /nfs/dbraw/zinc/84/38/93/343843893.db2.gz VKHHMGVRPFUHQV-SECBINFHSA-N 0 3 191.278 1.506 10 0 ADAEHN CC1(C)C[C@@H]1NCc1ccc(N)cn1 129098796 343843942 /nfs/dbraw/zinc/84/39/42/343843942.db2.gz FKCRTDQJWHZUIJ-JTQLQIEISA-N 0 3 191.278 1.552 10 0 ADAEHN C[C@H]1CCN(Cc2ccc(N)cn2)C1 129066311 343843956 /nfs/dbraw/zinc/84/39/56/343843956.db2.gz VKHHMGVRPFUHQV-VIFPVBQESA-N 0 3 191.278 1.506 10 0 ADAEHN CC(C)NCc1ccc(N)cn1 129062586 343844001 /nfs/dbraw/zinc/84/40/01/343844001.db2.gz MSRJHBQCQDCEAQ-UHFFFAOYSA-N 0 3 165.240 1.162 10 0 ADAEHN CC1(C)C[C@H]1NCc1ccc(N)cn1 129099006 343844068 /nfs/dbraw/zinc/84/40/68/343844068.db2.gz FKCRTDQJWHZUIJ-SNVBAGLBSA-N 0 3 191.278 1.552 10 0 ADAEHN CN[C@@H](C)C(=O)N[C@H]1CCC(C)(C)C1 129166836 343844965 /nfs/dbraw/zinc/84/49/65/343844965.db2.gz IUTURQPLMHLCEG-IUCAKERBSA-N 0 3 198.310 1.289 10 0 ADAEHN CN[C@@H](C)C(=O)N[C@@H]1CCC(C)(C)C1 129166398 343845110 /nfs/dbraw/zinc/84/51/10/343845110.db2.gz IUTURQPLMHLCEG-DTWKUNHWSA-N 0 3 198.310 1.289 10 0 ADAEHN C[C@H]1CC[C@@H](N2CCC(=O)CC2)C1 129244179 343846784 /nfs/dbraw/zinc/84/67/84/343846784.db2.gz ZWLUVNBPWFBYNR-VHSXEESVSA-N 0 3 181.279 1.840 10 0 ADAEHN C[C@H]1CC[C@H](N2CCC(=O)CC2)C1 129243725 343847014 /nfs/dbraw/zinc/84/70/14/343847014.db2.gz ZWLUVNBPWFBYNR-UWVGGRQHSA-N 0 3 181.279 1.840 10 0 ADAEHN C[C@@H]1CC[C@@H](N2CCC(=O)CC2)C1 129243931 343847039 /nfs/dbraw/zinc/84/70/39/343847039.db2.gz ZWLUVNBPWFBYNR-NXEZZACHSA-N 0 3 181.279 1.840 10 0 ADAEHN C[C@@H]1CCC[C@H](c2cnco2)N1 129377045 343849087 /nfs/dbraw/zinc/84/90/87/343849087.db2.gz SXUNMJKMHJSCKG-HTQZYQBOSA-N 0 3 166.224 1.878 10 0 ADAEHN CC[C@](C)(N)c1cnco1 129376601 343849121 /nfs/dbraw/zinc/84/91/21/343849121.db2.gz UJCOJQWRZGXQRL-ZETCQYMHSA-N 0 3 140.186 1.259 10 0 ADAEHN OC1(C2CCCCCC2)CNC1 129378717 343849224 /nfs/dbraw/zinc/84/92/24/343849224.db2.gz QRHDHYGATDUEEN-UHFFFAOYSA-N 0 3 169.268 1.291 10 0 ADAEHN C[C@H]1CCC[C@@H](c2cnco2)N1 129377677 343849239 /nfs/dbraw/zinc/84/92/39/343849239.db2.gz SXUNMJKMHJSCKG-YUMQZZPRSA-N 0 3 166.224 1.878 10 0 ADAEHN CC[C@@](C)(N)c1cnco1 129376822 343849321 /nfs/dbraw/zinc/84/93/21/343849321.db2.gz UJCOJQWRZGXQRL-SSDOTTSWSA-N 0 3 140.186 1.259 10 0 ADAEHN c1cc(CC[C@H]2COCCN2)cs1 129436845 343850063 /nfs/dbraw/zinc/85/00/63/343850063.db2.gz NQNQRZBFCQONMI-JTQLQIEISA-N 0 3 197.303 1.669 10 0 ADAEHN CCCn1ncc2c1[C@H](N)CCC2 129449748 343850418 /nfs/dbraw/zinc/85/04/18/343850418.db2.gz CSLAPAHYJMDBKA-SECBINFHSA-N 0 3 179.267 1.629 10 0 ADAEHN CCCn1ncc2c1[C@@H](N)CCC2 129449529 343850498 /nfs/dbraw/zinc/85/04/98/343850498.db2.gz CSLAPAHYJMDBKA-VIFPVBQESA-N 0 3 179.267 1.629 10 0 ADAEHN CCCn1cc2c(n1)[C@@H](N)CCC2 129455087 343850615 /nfs/dbraw/zinc/85/06/15/343850615.db2.gz XIELTVVZODYEPC-VIFPVBQESA-N 0 3 179.267 1.629 10 0 ADAEHN CCn1ncc2c1[C@@H](N)CCC2 129449101 343850760 /nfs/dbraw/zinc/85/07/60/343850760.db2.gz FCIBBOBMXWJXQY-QMMMGPOBSA-N 0 3 165.240 1.239 10 0 ADAEHN CCCn1cc2c(n1)[C@H](N)CCC2 129454846 343850774 /nfs/dbraw/zinc/85/07/74/343850774.db2.gz XIELTVVZODYEPC-SECBINFHSA-N 0 3 179.267 1.629 10 0 ADAEHN CCn1ncc2c1[C@H](N)CCC2 129449318 343850783 /nfs/dbraw/zinc/85/07/83/343850783.db2.gz FCIBBOBMXWJXQY-MRVPVSSYSA-N 0 3 165.240 1.239 10 0 ADAEHN CCc1cc2ncc(CNC)cn2n1 129470266 343851082 /nfs/dbraw/zinc/85/10/82/343851082.db2.gz OJPMXPNLPUZIBU-UHFFFAOYSA-N 0 3 190.250 1.011 10 0 ADAEHN CNC(C)(C)c1nc2ncccc2o1 129471958 343851111 /nfs/dbraw/zinc/85/11/11/343851111.db2.gz BRQBRRFJLCODCE-UHFFFAOYSA-N 0 3 191.234 1.677 10 0 ADAEHN CCCc1cc2ncc(CN)cn2n1 129471820 343851469 /nfs/dbraw/zinc/85/14/69/343851469.db2.gz WSYYVEBHSIMOBL-UHFFFAOYSA-N 0 3 190.250 1.141 10 0 ADAEHN CC[C@H](NC)c1nc2ncccc2o1 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NC[C@@H](F)[C@H]1CCOC2(CCC2)C1 158080663 344117844 /nfs/dbraw/zinc/11/78/44/344117844.db2.gz RIGJFLPICSILHC-DTWKUNHWSA-N 0 3 187.258 1.633 10 0 ADAEHN NC[C@H](F)[C@@H]1CCc2cccnc21 158081691 344117885 /nfs/dbraw/zinc/11/78/85/344117885.db2.gz FXNWFXKZNJKQCW-IUCAKERBSA-N 0 3 180.226 1.408 10 0 ADAEHN NC[C@H](F)[C@@H]1NCCc2ccccc21 158079514 344117910 /nfs/dbraw/zinc/11/79/10/344117910.db2.gz RHKBJJPNSMWOOP-WDEREUQCSA-N 0 3 194.253 1.170 10 0 ADAEHN NC[C@@H](F)[C@H]1NCc2ccccc21 158079654 344117923 /nfs/dbraw/zinc/11/79/23/344117923.db2.gz GBFVPZHINQYXSN-ZJUUUORDSA-N 0 3 180.226 1.128 10 0 ADAEHN NC[C@H](F)[C@@H]1NCc2ccccc21 158080094 344117980 /nfs/dbraw/zinc/11/79/80/344117980.db2.gz GBFVPZHINQYXSN-VHSXEESVSA-N 0 3 180.226 1.128 10 0 ADAEHN NC[C@H](F)[C@H]1NCCc2ccccc21 158079356 344117984 /nfs/dbraw/zinc/11/79/84/344117984.db2.gz RHKBJJPNSMWOOP-QWRGUYRKSA-N 0 3 194.253 1.170 10 0 ADAEHN Cn1ccc(C[C@]2(F)CCCNC2)n1 158088800 344117990 /nfs/dbraw/zinc/11/79/90/344117990.db2.gz UDSZCAAZQLUJJZ-SNVBAGLBSA-N 0 3 197.257 1.054 10 0 ADAEHN NC[C@@H](F)[C@@H]1CCOC2(CCC2)C1 158080525 344117993 /nfs/dbraw/zinc/11/79/93/344117993.db2.gz RIGJFLPICSILHC-RKDXNWHRSA-N 0 3 187.258 1.633 10 0 ADAEHN NC[C@H](F)Cc1cccc(F)c1F 158082758 344118001 /nfs/dbraw/zinc/11/80/01/344118001.db2.gz CMFRWNSSDASRCL-SSDOTTSWSA-N 0 3 189.180 1.804 10 0 ADAEHN NC[C@@H](F)Cc1cn2ccsc2n1 158082293 344118018 /nfs/dbraw/zinc/11/80/18/344118018.db2.gz HJMWFJVTNDJIML-LURJTMIESA-N 0 3 199.254 1.235 10 0 ADAEHN COc1ccc([C@H](F)CN)c(C)c1 158083240 344118022 /nfs/dbraw/zinc/11/80/22/344118022.db2.gz UXWFMOFRTCCSNA-SNVBAGLBSA-N 0 3 183.226 1.973 10 0 ADAEHN NC[C@@H](F)[C@@H]1CCc2cccnc21 158081420 344118027 /nfs/dbraw/zinc/11/80/27/344118027.db2.gz FXNWFXKZNJKQCW-DTWKUNHWSA-N 0 3 180.226 1.408 10 0 ADAEHN NC[C@@H](F)[C@H]1NCCc2ccccc21 158079084 344118034 /nfs/dbraw/zinc/11/80/34/344118034.db2.gz RHKBJJPNSMWOOP-MNOVXSKESA-N 0 3 194.253 1.170 10 0 ADAEHN NC[C@@H](F)[C@@H]1NCc2ccccc21 158079805 344118042 /nfs/dbraw/zinc/11/80/42/344118042.db2.gz GBFVPZHINQYXSN-NXEZZACHSA-N 0 3 180.226 1.128 10 0 ADAEHN NC[C@H](F)Cc1cn2ccsc2n1 158082446 344118056 /nfs/dbraw/zinc/11/80/56/344118056.db2.gz HJMWFJVTNDJIML-ZCFIWIBFSA-N 0 3 199.254 1.235 10 0 ADAEHN Cn1ccc(C[C@@]2(F)CCCNC2)n1 158088979 344118091 /nfs/dbraw/zinc/11/80/91/344118091.db2.gz UDSZCAAZQLUJJZ-JTQLQIEISA-N 0 3 197.257 1.054 10 0 ADAEHN Fc1cncc([C@@]2(F)CCCNC2)c1 158095732 344118479 /nfs/dbraw/zinc/11/84/79/344118479.db2.gz SDPHJIGTLQMDLX-SNVBAGLBSA-N 0 3 198.216 1.769 10 0 ADAEHN Fc1cncc([C@]2(F)CCCNC2)c1 158095645 344118446 /nfs/dbraw/zinc/11/84/46/344118446.db2.gz SDPHJIGTLQMDLX-JTQLQIEISA-N 0 3 198.216 1.769 10 0 ADAEHN CCn1cc([C@]2(F)CCCNC2)cn1 158095895 344118472 /nfs/dbraw/zinc/11/84/72/344118472.db2.gz SVTHRKBMIDDYIA-JTQLQIEISA-N 0 3 197.257 1.451 10 0 ADAEHN F[C@]1(Cc2ccncc2)CCCNC1 158098057 344118501 /nfs/dbraw/zinc/11/85/01/344118501.db2.gz PCOHBYILIULYNR-NSHDSACASA-N 0 3 194.253 1.716 10 0 ADAEHN CCn1cc([C@@]2(F)CCCNC2)cn1 158096051 344118510 /nfs/dbraw/zinc/11/85/10/344118510.db2.gz SVTHRKBMIDDYIA-SNVBAGLBSA-N 0 3 197.257 1.451 10 0 ADAEHN Cc1cncc([C@@]2(F)CCCNC2)c1 158092796 344118532 /nfs/dbraw/zinc/11/85/32/344118532.db2.gz MHVFQSKPKJWKPH-LLVKDONJSA-N 0 3 194.253 1.938 10 0 ADAEHN Nc1ncccc1[C@]1(F)CCCNC1 158101796 344118541 /nfs/dbraw/zinc/11/85/41/344118541.db2.gz IQCXOYQRNCKSBQ-JTQLQIEISA-N 0 3 195.241 1.212 10 0 ADAEHN CCn1nccc1[C@@]1(F)CCCNC1 158093981 344118570 /nfs/dbraw/zinc/11/85/70/344118570.db2.gz AIFPBOPPCWIFDY-SNVBAGLBSA-N 0 3 197.257 1.451 10 0 ADAEHN CCn1nccc1[C@]1(F)CCCNC1 158093830 344118602 /nfs/dbraw/zinc/11/86/02/344118602.db2.gz AIFPBOPPCWIFDY-JTQLQIEISA-N 0 3 197.257 1.451 10 0 ADAEHN F[C@@]1(Cc2ccncc2)CCCNC1 158097912 344118624 /nfs/dbraw/zinc/11/86/24/344118624.db2.gz PCOHBYILIULYNR-LLVKDONJSA-N 0 3 194.253 1.716 10 0 ADAEHN Cn1ccnc1C[C@]1(F)CCCNC1 158099119 344118633 /nfs/dbraw/zinc/11/86/33/344118633.db2.gz ROINPLSUABPFCT-SNVBAGLBSA-N 0 3 197.257 1.054 10 0 ADAEHN Cc1cncc([C@]2(F)CCCNC2)c1 158092673 344118662 /nfs/dbraw/zinc/11/86/62/344118662.db2.gz MHVFQSKPKJWKPH-NSHDSACASA-N 0 3 194.253 1.938 10 0 ADAEHN Nc1ncccc1[C@@]1(F)CCCNC1 158101937 344118684 /nfs/dbraw/zinc/11/86/84/344118684.db2.gz IQCXOYQRNCKSBQ-SNVBAGLBSA-N 0 3 195.241 1.212 10 0 ADAEHN Cn1cc(C[C@@]2(F)CCCNC2)cn1 158092206 344118756 /nfs/dbraw/zinc/11/87/56/344118756.db2.gz CRTRRJSMGMDZEV-JTQLQIEISA-N 0 3 197.257 1.054 10 0 ADAEHN Nc1ccncc1[C@]1(F)CCCNC1 158094440 344118762 /nfs/dbraw/zinc/11/87/62/344118762.db2.gz GATFSZXPZKPTMV-JTQLQIEISA-N 0 3 195.241 1.212 10 0 ADAEHN CCn1ccnc1[C@@]1(F)CCCNC1 158098671 344118774 /nfs/dbraw/zinc/11/87/74/344118774.db2.gz PEQIIDOYTBUJMV-SNVBAGLBSA-N 0 3 197.257 1.451 10 0 ADAEHN Cn1ccnc1C[C@@]1(F)CCCNC1 158099267 344118785 /nfs/dbraw/zinc/11/87/85/344118785.db2.gz ROINPLSUABPFCT-JTQLQIEISA-N 0 3 197.257 1.054 10 0 ADAEHN Cn1cc(C[C@]2(F)CCCNC2)cn1 158092042 344118807 /nfs/dbraw/zinc/11/88/07/344118807.db2.gz CRTRRJSMGMDZEV-SNVBAGLBSA-N 0 3 197.257 1.054 10 0 ADAEHN Nc1ccncc1[C@@]1(F)CCCNC1 158094591 344118873 /nfs/dbraw/zinc/11/88/73/344118873.db2.gz GATFSZXPZKPTMV-SNVBAGLBSA-N 0 3 195.241 1.212 10 0 ADAEHN CC[C@H]1CCN[C@@H](C2(F)CNC2)C1 158135157 344119758 /nfs/dbraw/zinc/11/97/58/344119758.db2.gz CLGNDMNFNCGKMY-DTWKUNHWSA-N 0 3 186.274 1.076 10 0 ADAEHN CC[C@@H]1CCN[C@H](C2(F)CNC2)C1 158134704 344119769 /nfs/dbraw/zinc/11/97/69/344119769.db2.gz CLGNDMNFNCGKMY-BDAKNGLRSA-N 0 3 186.274 1.076 10 0 ADAEHN CC[C@H]1CCN[C@H](C2(F)CNC2)C1 158134841 344120011 /nfs/dbraw/zinc/12/00/11/344120011.db2.gz CLGNDMNFNCGKMY-IUCAKERBSA-N 0 3 186.274 1.076 10 0 ADAEHN CC[C@@H]1CCN[C@@H](C2(F)CNC2)C1 158134965 344120101 /nfs/dbraw/zinc/12/01/01/344120101.db2.gz CLGNDMNFNCGKMY-RKDXNWHRSA-N 0 3 186.274 1.076 10 0 ADAEHN CCNc1cnccc1CNC 158157333 344120133 /nfs/dbraw/zinc/12/01/33/344120133.db2.gz IUAOGBYGDKYETL-UHFFFAOYSA-N 0 3 165.240 1.233 10 0 ADAEHN CCn1ccnc1[C@@]1(F)CCNC1 158192143 344121358 /nfs/dbraw/zinc/12/13/58/344121358.db2.gz RIUYHTBFKWRRAR-SECBINFHSA-N 0 3 183.230 1.061 10 0 ADAEHN CCn1ccnc1[C@]1(F)CCNC1 158192022 344121443 /nfs/dbraw/zinc/12/14/43/344121443.db2.gz RIUYHTBFKWRRAR-VIFPVBQESA-N 0 3 183.230 1.061 10 0 ADAEHN C[C@](F)(CN)[C@H]1NCc2ccccc21 158251477 344122183 /nfs/dbraw/zinc/12/21/83/344122183.db2.gz VTYOOMRLCJNMCH-QWRGUYRKSA-N 0 3 194.253 1.518 10 0 ADAEHN C[C@@](F)(CN)[C@H]1NCc2ccccc21 158251323 344122192 /nfs/dbraw/zinc/12/21/92/344122192.db2.gz VTYOOMRLCJNMCH-WDEREUQCSA-N 0 3 194.253 1.518 10 0 ADAEHN C[C@@](F)(CN)[C@@H]1NCc2ccccc21 158251621 344122253 /nfs/dbraw/zinc/12/22/53/344122253.db2.gz VTYOOMRLCJNMCH-GHMZBOCLSA-N 0 3 194.253 1.518 10 0 ADAEHN C[C@@](F)(CN)Cc1cccc(O)c1 158235501 344122516 /nfs/dbraw/zinc/12/25/16/344122516.db2.gz AUXAYRXYAPGVEC-JTQLQIEISA-N 0 3 183.226 1.622 10 0 ADAEHN Cc1cnc(N)c([C@](C)(F)CN)c1 158250978 344122548 /nfs/dbraw/zinc/12/25/48/344122548.db2.gz IEOZIHQLSSAJQM-SECBINFHSA-N 0 3 183.230 1.116 10 0 ADAEHN C[C@@](F)(CN)[C@@H]1Cc2ccccc2N1 158236937 344122623 /nfs/dbraw/zinc/12/26/23/344122623.db2.gz KDGXMSLBOYCIJD-WDEREUQCSA-N 0 3 194.253 1.710 10 0 ADAEHN COc1cccc([C@](C)(F)CN)c1 158250070 344122656 /nfs/dbraw/zinc/12/26/56/344122656.db2.gz CWZBJJKPQSHVBV-SNVBAGLBSA-N 0 3 183.226 1.839 10 0 ADAEHN C[C@](F)(CN)[C@@H]1Cc2ccccc2N1 158237073 344122661 /nfs/dbraw/zinc/12/26/61/344122661.db2.gz KDGXMSLBOYCIJD-QWRGUYRKSA-N 0 3 194.253 1.710 10 0 ADAEHN C[C@](F)(CN)[C@@H]1NCc2ccccc21 158251767 344122668 /nfs/dbraw/zinc/12/26/68/344122668.db2.gz VTYOOMRLCJNMCH-MNOVXSKESA-N 0 3 194.253 1.518 10 0 ADAEHN COc1cccc([C@@](C)(F)CN)c1 158250234 344122674 /nfs/dbraw/zinc/12/26/74/344122674.db2.gz CWZBJJKPQSHVBV-JTQLQIEISA-N 0 3 183.226 1.839 10 0 ADAEHN C[C@@](F)(CN)[C@@H]1CCc2cccnc21 158253307 344122703 /nfs/dbraw/zinc/12/27/03/344122703.db2.gz QRUPYRBAAXZBCF-MWLCHTKSSA-N 0 3 194.253 1.798 10 0 ADAEHN C[C@@](F)(CN)[C@H]1CCc2cccnc21 158253616 344122705 /nfs/dbraw/zinc/12/27/05/344122705.db2.gz QRUPYRBAAXZBCF-GXSJLCMTSA-N 0 3 194.253 1.798 10 0 ADAEHN C[C@@](F)(CN)[C@H]1Cc2ccccc2N1 158237208 344122715 /nfs/dbraw/zinc/12/27/15/344122715.db2.gz KDGXMSLBOYCIJD-GHMZBOCLSA-N 0 3 194.253 1.710 10 0 ADAEHN Cc1cnc(N)c([C@@](C)(F)CN)c1 158251159 344122737 /nfs/dbraw/zinc/12/27/37/344122737.db2.gz IEOZIHQLSSAJQM-VIFPVBQESA-N 0 3 183.230 1.116 10 0 ADAEHN CC[C@H](N)C(=O)N1CC[C@@H](C(C)C)C1 158317112 344123998 /nfs/dbraw/zinc/12/39/98/344123998.db2.gz JKMBETZSQMOIGB-ZJUUUORDSA-N 0 3 198.310 1.228 10 0 ADAEHN C[C@@H](CO)N(C)Cc1ccccc1 158329280 344124011 /nfs/dbraw/zinc/12/40/11/344124011.db2.gz RXXVCPJUINTBRS-JTQLQIEISA-N 0 3 179.263 1.499 10 0 ADAEHN CC[C@@H]1CCCCCN1C(=O)[C@H](C)N 158311093 344124113 /nfs/dbraw/zinc/12/41/13/344124113.db2.gz UZKWPUQFIMKWSM-VHSXEESVSA-N 0 3 198.310 1.515 10 0 ADAEHN CC(C)[C@@H]1CCN(C(=O)C(C)(C)N)C1 158314687 344124135 /nfs/dbraw/zinc/12/41/35/344124135.db2.gz LRXRGFORBHTBSJ-SECBINFHSA-N 0 3 198.310 1.228 10 0 ADAEHN CC[C@H]1CCCCCN1C(=O)[C@H](C)N 158311222 344124203 /nfs/dbraw/zinc/12/42/03/344124203.db2.gz UZKWPUQFIMKWSM-UWVGGRQHSA-N 0 3 198.310 1.515 10 0 ADAEHN CC[C@](F)(CN)c1c(C)ccnc1N 158334546 344124231 /nfs/dbraw/zinc/12/42/31/344124231.db2.gz PUMOEXOLPSRUHM-JTQLQIEISA-N 0 3 197.257 1.506 10 0 ADAEHN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)N 158311629 344124302 /nfs/dbraw/zinc/12/43/02/344124302.db2.gz UZKWPUQFIMKWSM-NXEZZACHSA-N 0 3 198.310 1.515 10 0 ADAEHN CC(C)[C@H]1CCN(C(=O)C(C)(C)N)C1 158314840 344124361 /nfs/dbraw/zinc/12/43/61/344124361.db2.gz LRXRGFORBHTBSJ-VIFPVBQESA-N 0 3 198.310 1.228 10 0 ADAEHN CC[C@H](N)C(=O)N1CC[C@H](C(C)C)C1 158316798 344124374 /nfs/dbraw/zinc/12/43/74/344124374.db2.gz JKMBETZSQMOIGB-UWVGGRQHSA-N 0 3 198.310 1.228 10 0 ADAEHN CC[C@@H]1CCCCCN1C(=O)CN 158311364 344124381 /nfs/dbraw/zinc/12/43/81/344124381.db2.gz OIKXXVIBLAXHJN-SECBINFHSA-N 0 3 184.283 1.126 10 0 ADAEHN CC[C@H]1CCCCCN1C(=O)CN 158311491 344124385 /nfs/dbraw/zinc/12/43/85/344124385.db2.gz OIKXXVIBLAXHJN-VIFPVBQESA-N 0 3 184.283 1.126 10 0 ADAEHN CC[C@@](F)(CN)c1c(C)ccnc1N 158334424 344124396 /nfs/dbraw/zinc/12/43/96/344124396.db2.gz PUMOEXOLPSRUHM-SNVBAGLBSA-N 0 3 197.257 1.506 10 0 ADAEHN CC[C@@](F)(CN)c1ccc(C)nc1 158355241 344124603 /nfs/dbraw/zinc/12/46/03/344124603.db2.gz JTYHGKIMORNWHH-SNVBAGLBSA-N 0 3 182.242 1.924 10 0 ADAEHN CC[C@](F)(CN)c1cccnc1N 158357189 344124634 /nfs/dbraw/zinc/12/46/34/344124634.db2.gz ZEACCINWMDQIIQ-VIFPVBQESA-N 0 3 183.230 1.197 10 0 ADAEHN CC[C@@](F)(CN)C1CC1 158338231 344124652 /nfs/dbraw/zinc/12/46/52/344124652.db2.gz ROIMOYOGFIVQMP-SSDOTTSWSA-N 0 3 131.194 1.473 10 0 ADAEHN CC[C@](F)(CN)c1ccc(C)nc1 158355409 344124685 /nfs/dbraw/zinc/12/46/85/344124685.db2.gz JTYHGKIMORNWHH-JTQLQIEISA-N 0 3 182.242 1.924 10 0 ADAEHN CC[C@](F)(CN)C1CC1 158338361 344125002 /nfs/dbraw/zinc/12/50/02/344125002.db2.gz ROIMOYOGFIVQMP-ZETCQYMHSA-N 0 3 131.194 1.473 10 0 ADAEHN CC[C@](F)(CN)c1cncc(F)c1 158347037 344125100 /nfs/dbraw/zinc/12/51/00/344125100.db2.gz WNDWFIYAZAIDKW-VIFPVBQESA-N 0 3 186.205 1.754 10 0 ADAEHN CC[C@@](F)(CN)c1cnccc1C 158346609 344125107 /nfs/dbraw/zinc/12/51/07/344125107.db2.gz AFUOCAVDGNDUFG-SNVBAGLBSA-N 0 3 182.242 1.924 10 0 ADAEHN CC[C@@](F)(CN)c1cccnc1N 158357063 344125132 /nfs/dbraw/zinc/12/51/32/344125132.db2.gz ZEACCINWMDQIIQ-SECBINFHSA-N 0 3 183.230 1.197 10 0 ADAEHN CC[C@@](F)(CN)c1cncc(F)c1 158346899 344125215 /nfs/dbraw/zinc/12/52/15/344125215.db2.gz WNDWFIYAZAIDKW-SECBINFHSA-N 0 3 186.205 1.754 10 0 ADAEHN CC[C@](F)(CN)c1cnccc1C 158346757 344125227 /nfs/dbraw/zinc/12/52/27/344125227.db2.gz AFUOCAVDGNDUFG-JTQLQIEISA-N 0 3 182.242 1.924 10 0 ADAEHN Cn1ccnc1[C@](F)(CN)C(C)(C)C 158372636 344125446 /nfs/dbraw/zinc/12/54/46/344125446.db2.gz ZQLBLQWGEYOFPV-SNVBAGLBSA-N 0 3 199.273 1.590 10 0 ADAEHN CC(C)[C@@](F)(CN)c1cnccn1 158386224 344125478 /nfs/dbraw/zinc/12/54/78/344125478.db2.gz DXGAGLCPUWNCTO-VIFPVBQESA-N 0 3 183.230 1.256 10 0 ADAEHN CC(C)[C@](F)(CN)c1ccnn1C 158389551 344125512 /nfs/dbraw/zinc/12/55/12/344125512.db2.gz XFYOOWCWXGIUAW-SECBINFHSA-N 0 3 185.246 1.200 10 0 ADAEHN CC(C)[C@@](F)(CN)c1cnccc1N 158390305 344125586 /nfs/dbraw/zinc/12/55/86/344125586.db2.gz NOQAHORWWVGCJU-JTQLQIEISA-N 0 3 197.257 1.443 10 0 ADAEHN CC(C)(C)[C@@](F)(CN)c1cnccn1 158370521 344125605 /nfs/dbraw/zinc/12/56/05/344125605.db2.gz MANAXCAHMQJBIZ-SNVBAGLBSA-N 0 3 197.257 1.646 10 0 ADAEHN CC(C)[C@@](F)(CN)c1cccnc1 158386792 344125621 /nfs/dbraw/zinc/12/56/21/344125621.db2.gz QBOQTUOXHCVAMJ-JTQLQIEISA-N 0 3 182.242 1.861 10 0 ADAEHN CC(C)[C@](F)(CN)c1cnccc1N 158390446 344125630 /nfs/dbraw/zinc/12/56/30/344125630.db2.gz NOQAHORWWVGCJU-SNVBAGLBSA-N 0 3 197.257 1.443 10 0 ADAEHN Cn1nccc1[C@](F)(CN)C(C)(C)C 158372280 344125647 /nfs/dbraw/zinc/12/56/47/344125647.db2.gz JKAIIYQHTIPIRL-SNVBAGLBSA-N 0 3 199.273 1.590 10 0 ADAEHN CC(C)[C@@](F)(CN)C1CCOCC1 158382128 344125658 /nfs/dbraw/zinc/12/56/58/344125658.db2.gz FXQKFNONGLIJNQ-JTQLQIEISA-N 0 3 189.274 1.736 10 0 ADAEHN CC(C)[C@@](F)(CN)c1ccnn1C 158389416 344125811 /nfs/dbraw/zinc/12/58/11/344125811.db2.gz XFYOOWCWXGIUAW-VIFPVBQESA-N 0 3 185.246 1.200 10 0 ADAEHN CC(C)[C@](F)(CN)C1CCOCC1 158382294 344125882 /nfs/dbraw/zinc/12/58/82/344125882.db2.gz FXQKFNONGLIJNQ-SNVBAGLBSA-N 0 3 189.274 1.736 10 0 ADAEHN CC(C)(C)[C@](F)(CN)c1cnccn1 158370656 344125898 /nfs/dbraw/zinc/12/58/98/344125898.db2.gz MANAXCAHMQJBIZ-JTQLQIEISA-N 0 3 197.257 1.646 10 0 ADAEHN Cn1ccnc1[C@@](F)(CN)C(C)(C)C 158372781 344125922 /nfs/dbraw/zinc/12/59/22/344125922.db2.gz ZQLBLQWGEYOFPV-JTQLQIEISA-N 0 3 199.273 1.590 10 0 ADAEHN Cn1nccc1[C@@](F)(CN)C(C)(C)C 158372430 344125944 /nfs/dbraw/zinc/12/59/44/344125944.db2.gz JKAIIYQHTIPIRL-JTQLQIEISA-N 0 3 199.273 1.590 10 0 ADAEHN CC(C)[C@](F)(CN)c1cccnc1 158386931 344126001 /nfs/dbraw/zinc/12/60/01/344126001.db2.gz QBOQTUOXHCVAMJ-SNVBAGLBSA-N 0 3 182.242 1.861 10 0 ADAEHN CC(C)[C@](F)(CN)c1cnccn1 158386384 344126062 /nfs/dbraw/zinc/12/60/62/344126062.db2.gz DXGAGLCPUWNCTO-SECBINFHSA-N 0 3 183.230 1.256 10 0 ADAEHN Cc1cncc([C@@](F)(CN)C2CC2)c1 158411222 344126397 /nfs/dbraw/zinc/12/63/97/344126397.db2.gz AIZBBCFIHHFWLP-LLVKDONJSA-N 0 3 194.253 1.924 10 0 ADAEHN Cc1ccc([C@](F)(CN)C2CC2)cn1 158419502 344126399 /nfs/dbraw/zinc/12/63/99/344126399.db2.gz SJZCNLWLJYMRTD-NSHDSACASA-N 0 3 194.253 1.924 10 0 ADAEHN NCC(F)(C1CC1)C1CC1 158407619 344126514 /nfs/dbraw/zinc/12/65/14/344126514.db2.gz AYEWEKVRCJBISS-UHFFFAOYSA-N 0 3 143.205 1.473 10 0 ADAEHN Cc1ccc([C@@](F)(CN)C2CC2)cn1 158419355 344126567 /nfs/dbraw/zinc/12/65/67/344126567.db2.gz SJZCNLWLJYMRTD-LLVKDONJSA-N 0 3 194.253 1.924 10 0 ADAEHN NC[C@](F)(c1cncc(F)c1)C1CC1 158414145 344126618 /nfs/dbraw/zinc/12/66/18/344126618.db2.gz DLXZHGVATFAIJW-SNVBAGLBSA-N 0 3 198.216 1.754 10 0 ADAEHN NC[C@](F)(c1cnccc1N)C1CC1 158412995 344126648 /nfs/dbraw/zinc/12/66/48/344126648.db2.gz WHYXUOKWPACASS-SNVBAGLBSA-N 0 3 195.241 1.197 10 0 ADAEHN CC(C)[C@@H](N)c1csnn1 158432243 344127002 /nfs/dbraw/zinc/12/70/02/344127002.db2.gz ODJPNQODYJRLHI-ZCFIWIBFSA-N 0 3 157.242 1.194 10 0 ADAEHN Cc1cnc([C@@H](N)C(C)C)cn1 158487569 344127487 /nfs/dbraw/zinc/12/74/87/344127487.db2.gz DYFLECZGDPHJJS-VIFPVBQESA-N 0 3 165.240 1.441 10 0 ADAEHN CN[C@H](c1cnns1)C(C)C 158504761 344128127 /nfs/dbraw/zinc/12/81/27/344128127.db2.gz GTBNBOGGYQZFMD-ZETCQYMHSA-N 0 3 171.269 1.455 10 0 ADAEHN CCc1cc([C@@H](N)CC)n(C)n1 158528953 344128167 /nfs/dbraw/zinc/12/81/67/344128167.db2.gz ISUYYLMOOOHNAX-QMMMGPOBSA-N 0 3 167.256 1.392 10 0 ADAEHN C[C@H](O)CN1CCO[C@@H]2CCCC[C@@H]21 158497110 344128265 /nfs/dbraw/zinc/12/82/65/344128265.db2.gz IWABWXGRQIIYSW-GARJFASQSA-N 0 3 199.294 1.011 10 0 ADAEHN CCc1cc([C@H](N)CC)n(C)n1 158528816 344128366 /nfs/dbraw/zinc/12/83/66/344128366.db2.gz ISUYYLMOOOHNAX-MRVPVSSYSA-N 0 3 167.256 1.392 10 0 ADAEHN CN[C@@H](c1cnns1)C(C)C 158504902 344128422 /nfs/dbraw/zinc/12/84/22/344128422.db2.gz GTBNBOGGYQZFMD-SSDOTTSWSA-N 0 3 171.269 1.455 10 0 ADAEHN CC[C@H](N)c1cnc(C)cn1 158562432 344128792 /nfs/dbraw/zinc/12/87/92/344128792.db2.gz XWZCWPOLWDMECR-ZETCQYMHSA-N 0 3 151.213 1.195 10 0 ADAEHN CC[C@@H](NC)c1cnns1 158576345 344128855 /nfs/dbraw/zinc/12/88/55/344128855.db2.gz IWVQFAOEUZQVIT-RXMQYKEDSA-N 0 3 157.242 1.209 10 0 ADAEHN CC[C@@H](NC)c1ccnnc1 158568114 344128861 /nfs/dbraw/zinc/12/88/61/344128861.db2.gz QEFBBCSQKSMIBT-MRVPVSSYSA-N 0 3 151.213 1.147 10 0 ADAEHN CC[C@@H](N)c1cnc(C)cn1 158562558 344128995 /nfs/dbraw/zinc/12/89/95/344128995.db2.gz XWZCWPOLWDMECR-SSDOTTSWSA-N 0 3 151.213 1.195 10 0 ADAEHN CC[C@H](NC)c1cnns1 158576205 344129061 /nfs/dbraw/zinc/12/90/61/344129061.db2.gz IWVQFAOEUZQVIT-YFKPBYRVSA-N 0 3 157.242 1.209 10 0 ADAEHN CC[C@H](NC)c1ccnnc1 158567972 344129079 /nfs/dbraw/zinc/12/90/79/344129079.db2.gz QEFBBCSQKSMIBT-QMMMGPOBSA-N 0 3 151.213 1.147 10 0 ADAEHN CC(C)C[C@H](N)c1cnsn1 158978880 344136098 /nfs/dbraw/zinc/13/60/98/344136098.db2.gz WPGVQNBPFHORAE-LURJTMIESA-N 0 3 171.269 1.584 10 0 ADAEHN CNC(C)(C)C(=O)c1ccccc1 158648670 344130075 /nfs/dbraw/zinc/13/00/75/344130075.db2.gz JLVGGPQTLAPRPH-UHFFFAOYSA-N 0 3 177.247 1.867 10 0 ADAEHN CN(C)CCc1nccc(Cl)n1 158659958 344130206 /nfs/dbraw/zinc/13/02/06/344130206.db2.gz QXFFLQSFQWGPGY-UHFFFAOYSA-N 0 3 185.658 1.234 10 0 ADAEHN N[C@H](c1csnn1)C1CCCC1 158726125 344130984 /nfs/dbraw/zinc/13/09/84/344130984.db2.gz WGZXDSWZAATMML-QMMMGPOBSA-N 0 3 183.280 1.728 10 0 ADAEHN N[C@@H](c1csnn1)C1CCCC1 158725994 344131079 /nfs/dbraw/zinc/13/10/79/344131079.db2.gz WGZXDSWZAATMML-MRVPVSSYSA-N 0 3 183.280 1.728 10 0 ADAEHN CN[C@@H](c1cnns1)C1CCCC1 158773864 344132403 /nfs/dbraw/zinc/13/24/03/344132403.db2.gz SDYNRRBCBSRIIR-SECBINFHSA-N 0 3 197.307 1.989 10 0 ADAEHN CN[C@H](c1cnns1)C1CCCC1 158774011 344132488 /nfs/dbraw/zinc/13/24/88/344132488.db2.gz SDYNRRBCBSRIIR-VIFPVBQESA-N 0 3 197.307 1.989 10 0 ADAEHN CCN[C@@H](C)c1ccnnc1 158790680 344132756 /nfs/dbraw/zinc/13/27/56/344132756.db2.gz KIPVECXOAASFIK-ZETCQYMHSA-N 0 3 151.213 1.147 10 0 ADAEHN CCc1cc([C@@H](C)NC)n(C)n1 158786645 344132846 /nfs/dbraw/zinc/13/28/46/344132846.db2.gz ZZFFJXRGYZSROL-SSDOTTSWSA-N 0 3 167.256 1.263 10 0 ADAEHN CC[C@@H](N)c1ccc(N(C)C)cn1 158801874 344132871 /nfs/dbraw/zinc/13/28/71/344132871.db2.gz AYWRVIPAPVLKSV-SECBINFHSA-N 0 3 179.267 1.557 10 0 ADAEHN CCc1nnsc1[C@H](C)NC 158797192 344132925 /nfs/dbraw/zinc/13/29/25/344132925.db2.gz PXHNHQVKNJJJFU-YFKPBYRVSA-N 0 3 171.269 1.381 10 0 ADAEHN CCN[C@H](C)c1ccnnc1 158790810 344132964 /nfs/dbraw/zinc/13/29/64/344132964.db2.gz KIPVECXOAASFIK-SSDOTTSWSA-N 0 3 151.213 1.147 10 0 ADAEHN CC[C@H](N)c1ccc(N(C)C)cn1 158801733 344133031 /nfs/dbraw/zinc/13/30/31/344133031.db2.gz AYWRVIPAPVLKSV-VIFPVBQESA-N 0 3 179.267 1.557 10 0 ADAEHN CCc1nnsc1[C@@H](C)NC 158797052 344133045 /nfs/dbraw/zinc/13/30/45/344133045.db2.gz PXHNHQVKNJJJFU-RXMQYKEDSA-N 0 3 171.269 1.381 10 0 ADAEHN CCc1cc([C@H](C)NC)n(C)n1 158786807 344133073 /nfs/dbraw/zinc/13/30/73/344133073.db2.gz ZZFFJXRGYZSROL-ZETCQYMHSA-N 0 3 167.256 1.263 10 0 ADAEHN CC[C@@]1(c2ccc(F)cn2)CCN1 158817682 344133343 /nfs/dbraw/zinc/13/33/43/344133343.db2.gz MSDMALOQRJVADU-JTQLQIEISA-N 0 3 180.226 1.819 10 0 ADAEHN C[C@H](N)c1cnn(-c2ccccc2)n1 158808884 344133366 /nfs/dbraw/zinc/13/33/66/344133366.db2.gz GBEUEZAFHUADFD-QMMMGPOBSA-N 0 3 188.234 1.287 10 0 ADAEHN CC[C@]1(c2ccc(F)cn2)CCN1 158817531 344133430 /nfs/dbraw/zinc/13/34/30/344133430.db2.gz MSDMALOQRJVADU-SNVBAGLBSA-N 0 3 180.226 1.819 10 0 ADAEHN CN[C@H](C)c1cc(C)nnc1C 158815458 344133449 /nfs/dbraw/zinc/13/34/49/344133449.db2.gz BBQWJNOYICAKMO-SSDOTTSWSA-N 0 3 165.240 1.374 10 0 ADAEHN C[C@@H](N)c1cnn(-c2ccccc2)n1 158809014 344133483 /nfs/dbraw/zinc/13/34/83/344133483.db2.gz GBEUEZAFHUADFD-MRVPVSSYSA-N 0 3 188.234 1.287 10 0 ADAEHN CN[C@H](C)c1cnc(C)cn1 158812453 344133490 /nfs/dbraw/zinc/13/34/90/344133490.db2.gz ODNHHPHSWMBWDG-SSDOTTSWSA-N 0 3 151.213 1.065 10 0 ADAEHN CN[C@@H](C)c1cc(C)nnc1C 158815597 344133536 /nfs/dbraw/zinc/13/35/36/344133536.db2.gz BBQWJNOYICAKMO-ZETCQYMHSA-N 0 3 165.240 1.374 10 0 ADAEHN CN[C@@H](C)c1cnc(C)cn1 158812581 344133543 /nfs/dbraw/zinc/13/35/43/344133543.db2.gz ODNHHPHSWMBWDG-ZETCQYMHSA-N 0 3 151.213 1.065 10 0 ADAEHN Cc1nc(N)[nH]c1-c1ccc(F)cn1 158821251 344133572 /nfs/dbraw/zinc/13/35/72/344133572.db2.gz QGBCTXHTJKTSDR-UHFFFAOYSA-N 0 3 192.197 1.501 10 0 ADAEHN CCN[C@H](C)c1snnc1C 158837877 344133727 /nfs/dbraw/zinc/13/37/27/344133727.db2.gz OZDDUZRYCRNZNT-RXMQYKEDSA-N 0 3 171.269 1.517 10 0 ADAEHN CCN[C@@H](C)c1cnns1 158838775 344133747 /nfs/dbraw/zinc/13/37/47/344133747.db2.gz UGUYGSKRZFPACB-YFKPBYRVSA-N 0 3 157.242 1.209 10 0 ADAEHN CCN[C@@H](C)c1snnc1C 158837738 344133856 /nfs/dbraw/zinc/13/38/56/344133856.db2.gz OZDDUZRYCRNZNT-YFKPBYRVSA-N 0 3 171.269 1.517 10 0 ADAEHN CN[C@H](C)c1snnc1C 158835326 344133882 /nfs/dbraw/zinc/13/38/82/344133882.db2.gz KUSCJHUAVUUZIH-SCSAIBSYSA-N 0 3 157.242 1.127 10 0 ADAEHN CN[C@@H](C)c1snnc1C 158835469 344133894 /nfs/dbraw/zinc/13/38/94/344133894.db2.gz KUSCJHUAVUUZIH-BYPYZUCNSA-N 0 3 157.242 1.127 10 0 ADAEHN Cc1cc(F)cc2c1OCCNC2 158833976 344133907 /nfs/dbraw/zinc/13/39/07/344133907.db2.gz QEXYINNNDDVBGF-UHFFFAOYSA-N 0 3 181.210 1.616 10 0 ADAEHN CCN[C@H](C)c1cnns1 158838913 344133939 /nfs/dbraw/zinc/13/39/39/344133939.db2.gz UGUYGSKRZFPACB-RXMQYKEDSA-N 0 3 157.242 1.209 10 0 ADAEHN CN[C@@H](C)c1snnc1C(C)C 158863876 344134053 /nfs/dbraw/zinc/13/40/53/344134053.db2.gz QAXNYHUZPBLZTA-LURJTMIESA-N 0 3 185.296 1.942 10 0 ADAEHN CCn1nc(C)cc1[C@H](C)NC 158864423 344134097 /nfs/dbraw/zinc/13/40/97/344134097.db2.gz KJYSRFORRAQOJD-QMMMGPOBSA-N 0 3 167.256 1.492 10 0 ADAEHN CN[C@H](C)c1snnc1C(C)C 158863722 344134439 /nfs/dbraw/zinc/13/44/39/344134439.db2.gz QAXNYHUZPBLZTA-ZCFIWIBFSA-N 0 3 185.296 1.942 10 0 ADAEHN CCn1nc(C)cc1[C@@H](C)NC 158864291 344134470 /nfs/dbraw/zinc/13/44/70/344134470.db2.gz KJYSRFORRAQOJD-MRVPVSSYSA-N 0 3 167.256 1.492 10 0 ADAEHN CCNCc1ccc(F)cn1 158920270 344134693 /nfs/dbraw/zinc/13/46/93/344134693.db2.gz BNHKHLONWLXVQL-UHFFFAOYSA-N 0 3 154.188 1.330 10 0 ADAEHN CC(C)(C)OCCn1cc(CN)cn1 158918109 344134758 /nfs/dbraw/zinc/13/47/58/344134758.db2.gz XPXFPOVRVFASNH-UHFFFAOYSA-N 0 3 197.282 1.157 10 0 ADAEHN 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HHAJPRORWNXSDC-SECBINFHSA-N 0 3 167.252 1.474 10 0 ADAEHN CC1(C)CC[C@@H](C=C2CNC2)O1 166472414 344283172 /nfs/dbraw/zinc/28/31/72/344283172.db2.gz HHAJPRORWNXSDC-VIFPVBQESA-N 0 3 167.252 1.474 10 0 ADAEHN CNCc1cc(C)nc(OC)c1 166532402 344283921 /nfs/dbraw/zinc/28/39/21/344283921.db2.gz SUUVJTUWWLZSOS-UHFFFAOYSA-N 0 3 166.224 1.118 10 0 ADAEHN Cc1cc(CNC2CC2)cc(N)n1 166521775 344284242 /nfs/dbraw/zinc/28/42/42/344284242.db2.gz WHQDEURWUHVODL-UHFFFAOYSA-N 0 3 177.251 1.224 10 0 ADAEHN Fc1cc2c3c(c1)CC[C@@H]3NCC2 166558969 344284344 /nfs/dbraw/zinc/28/43/44/344284344.db2.gz HDVAZJSNPNKZST-JTQLQIEISA-N 0 3 177.222 1.959 10 0 ADAEHN CN(C)c1cc(CN)c(Cl)cn1 166560230 344284376 /nfs/dbraw/zinc/28/43/76/344284376.db2.gz JOHCJQMILCYAJW-UHFFFAOYSA-N 0 3 185.658 1.260 10 0 ADAEHN Fc1cc2c3c(c1)CNC[C@H]3CC2 166555554 344284535 /nfs/dbraw/zinc/28/45/35/344284535.db2.gz IDUCTJJNGMJJDN-MRVPVSSYSA-N 0 3 177.222 1.959 10 0 ADAEHN Fc1cc2c3c(c1)CC[C@H]3NCC2 166559081 344284602 /nfs/dbraw/zinc/28/46/02/344284602.db2.gz HDVAZJSNPNKZST-SNVBAGLBSA-N 0 3 177.222 1.959 10 0 ADAEHN CCN(C)c1cc(CN)c(Cl)cn1 166562951 344284716 /nfs/dbraw/zinc/28/47/16/344284716.db2.gz GWFKMMFNBPSWEC-UHFFFAOYSA-N 0 3 199.685 1.650 10 0 ADAEHN Fc1cc2c3c(c1)CNC[C@@H]3CC2 166555673 344284728 /nfs/dbraw/zinc/28/47/28/344284728.db2.gz IDUCTJJNGMJJDN-QMMMGPOBSA-N 0 3 177.222 1.959 10 0 ADAEHN NCc1cc(NC2CC2)ncc1Cl 166578828 344284862 /nfs/dbraw/zinc/28/48/62/344284862.db2.gz SGFCEXBAXZWPNN-UHFFFAOYSA-N 0 3 197.669 1.768 10 0 ADAEHN CNCc1cc(N)ncc1Cl 166574849 344284885 /nfs/dbraw/zinc/28/48/85/344284885.db2.gz IQHWJQRVVGCOBU-UHFFFAOYSA-N 0 3 171.631 1.037 10 0 ADAEHN CNCc1cc(NC)ncc1Cl 166575890 344285038 /nfs/dbraw/zinc/28/50/38/344285038.db2.gz QZVHFKLGISCIAV-UHFFFAOYSA-N 0 3 185.658 1.496 10 0 ADAEHN CCNCc1cc(NC)ncc1Cl 166576023 344284994 /nfs/dbraw/zinc/28/49/94/344284994.db2.gz IMLDNLQWPXYJMV-UHFFFAOYSA-N 0 3 199.685 1.886 10 0 ADAEHN CCNc1cc(CN)c(Cl)cn1 166576371 344285045 /nfs/dbraw/zinc/28/50/45/344285045.db2.gz PMKLKUAMRVDWPP-UHFFFAOYSA-N 0 3 185.658 1.626 10 0 ADAEHN CCNCc1cc(N)ncc1Cl 166574950 344285088 /nfs/dbraw/zinc/28/50/88/344285088.db2.gz NLQBPGBPNSABPA-UHFFFAOYSA-N 0 3 185.658 1.427 10 0 ADAEHN CC(C)NCc1cc(N)ncc1Cl 166575241 344285118 /nfs/dbraw/zinc/28/51/18/344285118.db2.gz KAUKHQXURVYJFD-UHFFFAOYSA-N 0 3 199.685 1.815 10 0 ADAEHN CNc1cc(CN)c(Cl)cn1 166575381 344285134 /nfs/dbraw/zinc/28/51/34/344285134.db2.gz IMHWRFNLBJVTSV-UHFFFAOYSA-N 0 3 171.631 1.235 10 0 ADAEHN CC(=O)[C@H](C)N(C)[C@@H]1CCCC[C@@H]1O 166643819 344285869 /nfs/dbraw/zinc/28/58/69/344285869.db2.gz OWTPYHHUCLVBKH-GDPRMGEGSA-N 0 3 199.294 1.199 10 0 ADAEHN C[C@@H]1CNC[C@H](COC2CCCC2)O1 166702945 344286921 /nfs/dbraw/zinc/28/69/21/344286921.db2.gz IZFWMBPJAMNNCL-MWLCHTKSSA-N 0 3 199.294 1.323 10 0 ADAEHN C[C@H]1CNC[C@@H](COC2CCCC2)O1 166703268 344286953 /nfs/dbraw/zinc/28/69/53/344286953.db2.gz IZFWMBPJAMNNCL-ONGXEEELSA-N 0 3 199.294 1.323 10 0 ADAEHN Cc1nc2n(c1N)[C@@H](C)C[C@@H](C)C2 166696036 344286969 /nfs/dbraw/zinc/28/69/69/344286969.db2.gz BVKHYDTYMHRHPQ-RQJHMYQMSA-N 0 3 179.267 1.917 10 0 ADAEHN Cc1nc2n(c1N)[C@H](C)C[C@@H](C)C2 166696198 344286973 /nfs/dbraw/zinc/28/69/73/344286973.db2.gz BVKHYDTYMHRHPQ-RNFRBKRXSA-N 0 3 179.267 1.917 10 0 ADAEHN Cc1nc2n(c1N)[C@H](C)C[C@H](C)C2 166696247 344287002 /nfs/dbraw/zinc/28/70/02/344287002.db2.gz BVKHYDTYMHRHPQ-NKWVEPMBSA-N 0 3 179.267 1.917 10 0 ADAEHN C[C@H]1CNC[C@H](COC2CCCC2)O1 166703053 344287064 /nfs/dbraw/zinc/28/70/64/344287064.db2.gz IZFWMBPJAMNNCL-GXSJLCMTSA-N 0 3 199.294 1.323 10 0 ADAEHN Cc1nc2n(c1N)[C@@H](C)C[C@H](C)C2 166696111 344287090 /nfs/dbraw/zinc/28/70/90/344287090.db2.gz BVKHYDTYMHRHPQ-BQBZGAKWSA-N 0 3 179.267 1.917 10 0 ADAEHN C[C@@H]1CNC[C@@H](COC2CCCC2)O1 166703165 344287318 /nfs/dbraw/zinc/28/73/18/344287318.db2.gz IZFWMBPJAMNNCL-KOLCDFICSA-N 0 3 199.294 1.323 10 0 ADAEHN C[C@H](N)C(=O)Nc1cnccc1Cl 166746854 344288121 /nfs/dbraw/zinc/28/81/21/344288121.db2.gz BORDPPYTJHSQQT-YFKPBYRVSA-N 0 3 199.641 1.021 10 0 ADAEHN C[C@H]1C[C@H]1CNc1ccc(N)c(N)n1 166757554 344288319 /nfs/dbraw/zinc/28/83/19/344288319.db2.gz FVQYYUDASOQANN-BQBZGAKWSA-N 0 3 192.266 1.314 10 0 ADAEHN C[C@@H]1C[C@@H]1CNc1ccc(N)c(N)n1 166757301 344288430 /nfs/dbraw/zinc/28/84/30/344288430.db2.gz FVQYYUDASOQANN-RNFRBKRXSA-N 0 3 192.266 1.314 10 0 ADAEHN C[C@@H](N)C(=O)Nc1cnccc1Cl 166747089 344288438 /nfs/dbraw/zinc/28/84/38/344288438.db2.gz BORDPPYTJHSQQT-RXMQYKEDSA-N 0 3 199.641 1.021 10 0 ADAEHN C[C@H]1C[C@@H]1CNc1ccc(N)c(N)n1 166757381 344288456 /nfs/dbraw/zinc/28/84/56/344288456.db2.gz FVQYYUDASOQANN-NKWVEPMBSA-N 0 3 192.266 1.314 10 0 ADAEHN CC(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C 166776375 344288711 /nfs/dbraw/zinc/28/87/11/344288711.db2.gz JEWLTWNOSILAER-KKZNHRDASA-N 0 3 183.295 1.942 10 0 ADAEHN Fc1cccc(F)c1C=C1CNC1 166769234 344288819 /nfs/dbraw/zinc/28/88/19/344288819.db2.gz SESLACCSDPUAQC-UHFFFAOYSA-N 0 3 181.185 1.951 10 0 ADAEHN CC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C 166776139 344288839 /nfs/dbraw/zinc/28/88/39/344288839.db2.gz JEWLTWNOSILAER-YWVKMMECSA-N 0 3 183.295 1.942 10 0 ADAEHN Cc1ncc(CNC(C)(C)C)c(N)n1 166814707 344289792 /nfs/dbraw/zinc/28/97/92/344289792.db2.gz XGEQJUPKXOXLLA-UHFFFAOYSA-N 0 3 194.282 1.255 10 0 ADAEHN CN(CCF)[C@H]1CCCC[C@@H]1O 166887428 344292131 /nfs/dbraw/zinc/29/21/31/344292131.db2.gz AHVYCXXINALWET-IUCAKERBSA-N 0 3 175.247 1.191 10 0 ADAEHN CN(CCF)[C@@H]1CCCC[C@@H]1O 166887301 344292287 /nfs/dbraw/zinc/29/22/87/344292287.db2.gz AHVYCXXINALWET-BDAKNGLRSA-N 0 3 175.247 1.191 10 0 ADAEHN CC[C@H](C)C(=O)C(C)(C)N 167031909 344296091 /nfs/dbraw/zinc/29/60/91/344296091.db2.gz IURWRXOOGWPPLS-LURJTMIESA-N 0 3 143.230 1.339 10 0 ADAEHN CC[C@@H](C)C(=O)C(C)(C)N 167031799 344296124 /nfs/dbraw/zinc/29/61/24/344296124.db2.gz IURWRXOOGWPPLS-ZCFIWIBFSA-N 0 3 143.230 1.339 10 0 ADAEHN C[C@H]1CC(=O)CCN1C[C@H]1C[C@H]1C 167067503 344296800 /nfs/dbraw/zinc/29/68/00/344296800.db2.gz SJISJHRGAIPVAL-KXUCPTDWSA-N 0 3 181.279 1.696 10 0 ADAEHN C[C@H]1CC(=O)CCN1C[C@@H]1C[C@H]1C 167067670 344296864 /nfs/dbraw/zinc/29/68/64/344296864.db2.gz SJISJHRGAIPVAL-UTLUCORTSA-N 0 3 181.279 1.696 10 0 ADAEHN C[C@H]1C[C@H]1CNc1nccn1C 167133370 344298280 /nfs/dbraw/zinc/29/82/80/344298280.db2.gz GAFBNYJOFGVDNH-YUMQZZPRSA-N 0 3 165.240 1.488 10 0 ADAEHN C[C@@H]1C[C@@H]1CNc1nccn1C 167133050 344298311 /nfs/dbraw/zinc/29/83/11/344298311.db2.gz GAFBNYJOFGVDNH-HTQZYQBOSA-N 0 3 165.240 1.488 10 0 ADAEHN Cc1ccc(CN)c(F)c1C 167141678 344298407 /nfs/dbraw/zinc/29/84/07/344298407.db2.gz UUUYWVCKKQOKHT-UHFFFAOYSA-N 0 3 153.200 1.901 10 0 ADAEHN C[C@H]1C[C@H](NC(=O)CN)CC(C)(C)C1 167212265 344300204 /nfs/dbraw/zinc/30/02/04/344300204.db2.gz BTIKLKFMEKBQNU-IUCAKERBSA-N 0 3 198.310 1.276 10 0 ADAEHN C[C@H]1C[C@@H](NC(=O)CN)CC(C)(C)C1 167212474 344300233 /nfs/dbraw/zinc/30/02/33/344300233.db2.gz BTIKLKFMEKBQNU-DTWKUNHWSA-N 0 3 198.310 1.276 10 0 ADAEHN C[C@@H]1C[C@@H](NC(=O)CN)CC(C)(C)C1 167212363 344300317 /nfs/dbraw/zinc/30/03/17/344300317.db2.gz 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344308957 /nfs/dbraw/zinc/30/89/57/344308957.db2.gz OAFYRWJDYMBIGP-VHSXEESVSA-N 0 3 183.251 1.187 10 0 ADAEHN Cc1nc([C@@H]2C[C@H](C)CCN2)n[nH]1 167606840 344309210 /nfs/dbraw/zinc/30/92/10/344309210.db2.gz XNWXBWIHJRGPEH-SVRRBLITSA-N 0 3 180.255 1.174 10 0 ADAEHN Cc1nc([C@H]2C[C@@H](C)CCN2)n[nH]1 167607119 344309234 /nfs/dbraw/zinc/30/92/34/344309234.db2.gz XNWXBWIHJRGPEH-POYBYMJQSA-N 0 3 180.255 1.174 10 0 ADAEHN Cc1nc([C@H]2C[C@H](C)CCN2)n[nH]1 167606941 344309341 /nfs/dbraw/zinc/30/93/41/344309341.db2.gz XNWXBWIHJRGPEH-HTRCEHHLSA-N 0 3 180.255 1.174 10 0 ADAEHN Cc1nc([C@@H]2C[C@@H](C)CCN2)n[nH]1 167607004 344309382 /nfs/dbraw/zinc/30/93/82/344309382.db2.gz XNWXBWIHJRGPEH-XPUUQOCRSA-N 0 3 180.255 1.174 10 0 ADAEHN N[C@@H](C1=CCCCO1)[C@@H]1CCCS1 167630124 344309560 /nfs/dbraw/zinc/30/95/60/344309560.db2.gz XNBQJNQZLWHJEE-UWVGGRQHSA-N 0 3 199.319 1.904 10 0 ADAEHN CC1([C@@H](N)C2=CCCCO2)CC1 167625510 344309651 /nfs/dbraw/zinc/30/96/51/344309651.db2.gz HTFOFHCGNZMHJV-VIFPVBQESA-N 0 3 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165.240 1.632 10 0 ADAEHN Cn1nccc1[C@@H](N)[C@H]1CC1(C)C 236079640 344772597 /nfs/dbraw/zinc/77/25/97/344772597.db2.gz LKEBVZQLHQEPJJ-APPZFPTMSA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1ccnc1-c1ccoc1CN 236078771 344772659 /nfs/dbraw/zinc/77/26/59/344772659.db2.gz VVYPMFZAYFZIMX-UHFFFAOYSA-N 0 3 177.207 1.139 10 0 ADAEHN Cn1nccc1[C@H](N)[C@@H]1CC1(C)C 236086808 344772986 /nfs/dbraw/zinc/77/29/86/344772986.db2.gz LKEBVZQLHQEPJJ-IONNQARKSA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1ccnc1[C@@H](N)[C@H]1CC1(C)C 236088527 344772989 /nfs/dbraw/zinc/77/29/89/344772989.db2.gz PCNCQTNXKAJALL-SFYZADRCSA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1ccnc1[C@@H](N)[C@@H]1CC1(C)C 236088403 344773003 /nfs/dbraw/zinc/77/30/03/344773003.db2.gz PCNCQTNXKAJALL-YUMQZZPRSA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1cnc([C@@H](N)C2CCC2)c1 236092312 344773174 /nfs/dbraw/zinc/77/31/74/344773174.db2.gz IQSHEAUTILOQSX-VIFPVBQESA-N 0 3 165.240 1.220 10 0 ADAEHN Cn1cnc([C@@H](N)C2CCCC2)c1 236092323 344773242 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187.283 1.177 10 0 ADAEHN CCn1ccnc1C1(N)CCC1 306537307 345409892 /nfs/dbraw/zinc/40/98/92/345409892.db2.gz RICMIDDAZJMWNP-UHFFFAOYSA-N 0 3 165.240 1.241 10 0 ADAEHN COC(C)(C)[C@@H]1CN[C@@H](C)[C@H](C)O1 306537204 345409989 /nfs/dbraw/zinc/40/99/89/345409989.db2.gz LGCFOSXLBJYMQC-CIUDSAMLSA-N 0 3 187.283 1.177 10 0 ADAEHN COC(C)(C)[C@@H]1CN[C@H](C)[C@H](C)O1 306537212 345410083 /nfs/dbraw/zinc/41/00/83/345410083.db2.gz LGCFOSXLBJYMQC-VGMNWLOBSA-N 0 3 187.283 1.177 10 0 ADAEHN C=Cc1cccc(F)c1CN 306537913 345411005 /nfs/dbraw/zinc/41/10/05/345411005.db2.gz JHFASLWOANAANV-UHFFFAOYSA-N 0 3 151.184 1.927 10 0 ADAEHN C[C@@]1(C(=O)c2ccc[nH]2)CCCN1 306538070 345411647 /nfs/dbraw/zinc/41/16/47/345411647.db2.gz SGBQISMSKWKHBB-JTQLQIEISA-N 0 3 178.235 1.340 10 0 ADAEHN C[C@]1(C(=O)c2ccc[nH]2)CCCN1 306538071 345411732 /nfs/dbraw/zinc/41/17/32/345411732.db2.gz SGBQISMSKWKHBB-SNVBAGLBSA-N 0 3 178.235 1.340 10 0 ADAEHN Cc1cc(N2CCC2)cc(CN)n1 306538717 345412259 /nfs/dbraw/zinc/41/22/59/345412259.db2.gz 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/nfs/dbraw/zinc/41/43/90/345414390.db2.gz ORSQZNPRVFDGLG-RQJHMYQMSA-N 0 3 133.210 1.575 10 0 ADAEHN Cc1cn(C)nc1CNC(C)C 306540642 345414649 /nfs/dbraw/zinc/41/46/49/345414649.db2.gz WKQQDYKAWPDBKE-UHFFFAOYSA-N 0 3 167.256 1.227 10 0 ADAEHN CC1(CN[C@H]2CCn3ccnc32)CC1 306540448 345414723 /nfs/dbraw/zinc/41/47/23/345414723.db2.gz RMOCHXZMEWNRQR-VIFPVBQESA-N 0 3 191.278 1.718 10 0 ADAEHN COc1cc(C(C)(C)N)sn1 306540597 345414828 /nfs/dbraw/zinc/41/48/28/345414828.db2.gz PAPCOWIFMNYQKM-UHFFFAOYSA-N 0 3 172.253 1.346 10 0 ADAEHN CCn1cnc([C@@H]2NCCC[C@@H]2C)c1 306541569 345415422 /nfs/dbraw/zinc/41/54/22/345415422.db2.gz PXHYYPSJMVZHSF-GXSJLCMTSA-N 0 3 193.294 1.964 10 0 ADAEHN CCn1cnc([C@H]2NCCC[C@H]2C)c1 306541571 345415479 /nfs/dbraw/zinc/41/54/79/345415479.db2.gz PXHYYPSJMVZHSF-KOLCDFICSA-N 0 3 193.294 1.964 10 0 ADAEHN CCn1cnc([C@H]2NCCC[C@@H]2C)c1 306541579 345415523 /nfs/dbraw/zinc/41/55/23/345415523.db2.gz PXHYYPSJMVZHSF-ONGXEEELSA-N 0 3 193.294 1.964 10 0 ADAEHN CCn1cnc([C@@H]2NCCC[C@H]2C)c1 306541575 345415705 /nfs/dbraw/zinc/41/57/05/345415705.db2.gz PXHYYPSJMVZHSF-MWLCHTKSSA-N 0 3 193.294 1.964 10 0 ADAEHN NCc1coc(-c2cccnc2)c1 306541944 345416337 /nfs/dbraw/zinc/41/63/37/345416337.db2.gz ULMDQXGTVZIBJC-UHFFFAOYSA-N 0 3 174.203 1.800 10 0 ADAEHN Cc1ccc(CN)c(N2CCC2)c1 306543058 345417338 /nfs/dbraw/zinc/41/73/38/345417338.db2.gz ZQXBWXKWDMYMGL-UHFFFAOYSA-N 0 3 176.263 1.664 10 0 ADAEHN Cn1c(-c2ccoc2)cnc1N 306543482 345417604 /nfs/dbraw/zinc/41/76/04/345417604.db2.gz WLSIHMARBOOABV-UHFFFAOYSA-N 0 3 163.180 1.262 10 0 ADAEHN CCCn1cc(C)c(CN)n1 306543811 345417853 /nfs/dbraw/zinc/41/78/53/345417853.db2.gz WYBOGNZBMUYXAK-UHFFFAOYSA-N 0 3 153.229 1.060 10 0 ADAEHN CC1(C)CCCN(C2COC2)CC1 306544155 345418257 /nfs/dbraw/zinc/41/82/57/345418257.db2.gz UMJKHDWXOFBMNR-UHFFFAOYSA-N 0 3 183.295 1.897 10 0 ADAEHN Cc1nc(CN[C@@H]2[C@H]3CCC[C@H]32)c[nH]1 306544334 345418270 /nfs/dbraw/zinc/41/82/70/345418270.db2.gz UTCIZRXCRKUSSJ-URLYPYJESA-N 0 3 191.278 1.606 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/nfs/dbraw/zinc/53/75/23/345537523.db2.gz UGNFIQJMPZEUOM-JTQLQIEISA-N 0 3 193.246 1.010 10 0 ADAEHN Nc1cccc(NCCC(F)F)n1 306675468 345537618 /nfs/dbraw/zinc/53/76/18/345537618.db2.gz SQMLAUBHSXLTCP-UHFFFAOYSA-N 0 3 187.193 1.731 10 0 ADAEHN C[C@@H]1CCCC[C@]1(C)NC(=O)CN 306676042 345537968 /nfs/dbraw/zinc/53/79/68/345537968.db2.gz VDEIXGMXHKTCDB-SCZZXKLOSA-N 0 3 184.283 1.030 10 0 ADAEHN C[C@H]1CCCC[C@@]1(C)NC(=O)CN 306676043 345538084 /nfs/dbraw/zinc/53/80/84/345538084.db2.gz VDEIXGMXHKTCDB-WCBMZHEXSA-N 0 3 184.283 1.030 10 0 ADAEHN C[C@@H]1CCCC[C@@]1(C)NC(=O)CN 306676041 345538121 /nfs/dbraw/zinc/53/81/21/345538121.db2.gz VDEIXGMXHKTCDB-PSASIEDQSA-N 0 3 184.283 1.030 10 0 ADAEHN Cc1cccc2c1OC[C@H]2NCCO 306675753 345538150 /nfs/dbraw/zinc/53/81/50/345538150.db2.gz UGNFIQJMPZEUOM-SNVBAGLBSA-N 0 3 193.246 1.010 10 0 ADAEHN C[C@H]1CCCC[C@]1(C)NC(=O)CN 306676044 345538354 /nfs/dbraw/zinc/53/83/54/345538354.db2.gz VDEIXGMXHKTCDB-WPRPVWTQSA-N 0 3 184.283 1.030 10 0 ADAEHN C1=CCN(CCNc2ccccc2)C1 306676902 345539118 /nfs/dbraw/zinc/53/91/18/345539118.db2.gz XJKZQKRPCNPKQY-UHFFFAOYSA-N 0 3 188.274 1.970 10 0 ADAEHN C[C@H]1CC(C)(C)N1Cc1cnc[nH]1 306676815 345539151 /nfs/dbraw/zinc/53/91/51/345539151.db2.gz XDZUKMVEDDUYFA-QMMMGPOBSA-N 0 3 179.267 1.783 10 0 ADAEHN NCc1coc(-c2ccsn2)c1 306677014 345539226 /nfs/dbraw/zinc/53/92/26/345539226.db2.gz XVYFKIUBWAIYSL-UHFFFAOYSA-N 0 3 180.232 1.862 10 0 ADAEHN C[C@@H]1CC(C)(C)N1Cc1cnc[nH]1 306676814 345539350 /nfs/dbraw/zinc/53/93/50/345539350.db2.gz XDZUKMVEDDUYFA-MRVPVSSYSA-N 0 3 179.267 1.783 10 0 ADAEHN COc1ncc([C@@H](N)C(C)(C)C)cn1 306677745 345539920 /nfs/dbraw/zinc/53/99/20/345539920.db2.gz ZSRFXEBBWNAOLC-MRVPVSSYSA-N 0 3 195.266 1.531 10 0 ADAEHN C[C@H]1CN(Cc2cc[nH]c2)CCS1 306677678 345539976 /nfs/dbraw/zinc/53/99/76/345539976.db2.gz ZMAJYBBOOPJFPR-VIFPVBQESA-N 0 3 196.319 1.952 10 0 ADAEHN COc1ncc([C@H](N)C(C)(C)C)cn1 306677746 345540071 /nfs/dbraw/zinc/54/00/71/345540071.db2.gz ZSRFXEBBWNAOLC-QMMMGPOBSA-N 0 3 195.266 1.531 10 0 ADAEHN C[C@@H]1C[C@@H]1NC1=N[C@H](C)[C@@H](C)S1 306678671 345540803 /nfs/dbraw/zinc/54/08/03/345540803.db2.gz AUTLIMDFAMFLJL-XUTVFYLZSA-N 0 3 184.308 1.864 10 0 ADAEHN C[C@@H]1N=C(N[C@H]2C[C@H]2C)S[C@@H]1C 306678668 345540889 /nfs/dbraw/zinc/54/08/89/345540889.db2.gz AUTLIMDFAMFLJL-CWKFCGSDSA-N 0 3 184.308 1.864 10 0 ADAEHN C[C@@H]1SC(N[C@H]2C[C@H]2C)=N[C@@H]1C 306678670 345540915 /nfs/dbraw/zinc/54/09/15/345540915.db2.gz AUTLIMDFAMFLJL-NGJRWZKOSA-N 0 3 184.308 1.864 10 0 ADAEHN C[C@@H]1C[C@H]1NCC1(F)CC1 306678892 345540960 /nfs/dbraw/zinc/54/09/60/345540960.db2.gz AMUBLBVDNWMACM-RNFRBKRXSA-N 0 3 143.205 1.487 10 0 ADAEHN CN1CCCC[C@H]1c1ccnn1C 306679110 345541037 /nfs/dbraw/zinc/54/10/37/345541037.db2.gz BVZAIJVCZWLJDI-VIFPVBQESA-N 0 3 179.267 1.577 10 0 ADAEHN C[C@@H]1C[C@@H]1NCC1(F)CC1 306678893 345541065 /nfs/dbraw/zinc/54/10/65/345541065.db2.gz AMUBLBVDNWMACM-RQJHMYQMSA-N 0 3 143.205 1.487 10 0 ADAEHN CN1CCCC[C@@H]1c1ccnn1C 306679106 345541074 /nfs/dbraw/zinc/54/10/74/345541074.db2.gz BVZAIJVCZWLJDI-SECBINFHSA-N 0 3 179.267 1.577 10 0 ADAEHN CSCc1nccc(N)c1C 306678944 345541083 /nfs/dbraw/zinc/54/10/83/345541083.db2.gz ASIQPOGWZXILJK-UHFFFAOYSA-N 0 3 168.265 1.835 10 0 ADAEHN C[C@H]1C[C@H]1NCC1(F)CC1 306678891 345541118 /nfs/dbraw/zinc/54/11/18/345541118.db2.gz AMUBLBVDNWMACM-NKWVEPMBSA-N 0 3 143.205 1.487 10 0 ADAEHN C[C@H]1C[C@@H]1NCC1(F)CC1 306678890 345541187 /nfs/dbraw/zinc/54/11/87/345541187.db2.gz AMUBLBVDNWMACM-BQBZGAKWSA-N 0 3 143.205 1.487 10 0 ADAEHN C[C@@H]1N=C(N[C@H]2C[C@H]2C)S[C@H]1C 306678669 345541240 /nfs/dbraw/zinc/54/12/40/345541240.db2.gz AUTLIMDFAMFLJL-KVPKETBZSA-N 0 3 184.308 1.864 10 0 ADAEHN CCN[C@H](C)c1[nH]c(=O)sc1C 306679362 345541503 /nfs/dbraw/zinc/54/15/03/345541503.db2.gz IDHONNKYSKFNQX-RXMQYKEDSA-N 0 3 186.280 1.828 10 0 ADAEHN CCN[C@@H](C)c1[nH]c(=O)sc1C 306679373 345541506 /nfs/dbraw/zinc/54/15/06/345541506.db2.gz IDHONNKYSKFNQX-YFKPBYRVSA-N 0 3 186.280 1.828 10 0 ADAEHN Cc1nc(CN)[nH]c1-c1ccsc1 306679393 345541557 /nfs/dbraw/zinc/54/15/57/345541557.db2.gz IDVAGMRTMCLQLR-UHFFFAOYSA-N 0 3 193.275 1.905 10 0 ADAEHN CN(c1nccc(CN)n1)C(C)(C)C 306681231 345543081 /nfs/dbraw/zinc/54/30/81/345543081.db2.gz NJJVQAXDAAZQSK-UHFFFAOYSA-N 0 3 194.282 1.170 10 0 ADAEHN CN(c1ccc(N)c(N)n1)C(C)(C)C 306681238 345543106 /nfs/dbraw/zinc/54/31/06/345543106.db2.gz NKCZBMRYIQHASV-UHFFFAOYSA-N 0 3 194.282 1.481 10 0 ADAEHN O[C@H]1CCCN(c2ccncc2)CC1 306681714 345543265 /nfs/dbraw/zinc/54/32/65/345543265.db2.gz OYCVROLRUISVOR-NSHDSACASA-N 0 3 192.262 1.433 10 0 ADAEHN Cc1sc(N2CCC2)nc1[C@H](C)N 306682023 345543316 /nfs/dbraw/zinc/54/33/16/345543316.db2.gz PTEAZENYZJHRDJ-LURJTMIESA-N 0 3 197.307 1.681 10 0 ADAEHN Cc1sc(N2CCC2)nc1[C@@H](C)N 306682024 345543399 /nfs/dbraw/zinc/54/33/99/345543399.db2.gz PTEAZENYZJHRDJ-ZCFIWIBFSA-N 0 3 197.307 1.681 10 0 ADAEHN O[C@@H]1CCCN(c2ccncc2)CC1 306681713 345543461 /nfs/dbraw/zinc/54/34/61/345543461.db2.gz OYCVROLRUISVOR-LLVKDONJSA-N 0 3 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LGNJIBGWZVYKSG-NXEZZACHSA-N 0 3 196.294 1.125 10 0 ADAEHN CC[C@@H](C1CCC1)N1CC[C@H](N)C1=O 306706007 345559594 /nfs/dbraw/zinc/55/95/94/345559594.db2.gz LGNJIBGWZVYKSG-UWVGGRQHSA-N 0 3 196.294 1.125 10 0 ADAEHN CC[C@@H](C1CCC1)N1CC[C@@H](N)C1=O 306706015 345559705 /nfs/dbraw/zinc/55/97/05/345559705.db2.gz LGNJIBGWZVYKSG-ZJUUUORDSA-N 0 3 196.294 1.125 10 0 ADAEHN Cc1nn(C)cc1[C@](C)(F)[C@@H](C)N 306707559 345561106 /nfs/dbraw/zinc/56/11/06/345561106.db2.gz MZIFOLBQGTYPLL-VXNVDRBHSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1nn(C)cc1[C@](C)(F)[C@H](C)N 306707558 345561130 /nfs/dbraw/zinc/56/11/30/345561130.db2.gz MZIFOLBQGTYPLL-IONNQARKSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1nn(C)cc1[C@@](C)(F)[C@H](C)N 306707557 345561256 /nfs/dbraw/zinc/56/12/56/345561256.db2.gz MZIFOLBQGTYPLL-CBAPKCEASA-N 0 3 185.246 1.260 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@H](N)c1ccsn1 306708365 345561714 /nfs/dbraw/zinc/56/17/14/345561714.db2.gz OEGWOIYRKUUQSJ-CHKWXVPMSA-N 0 3 168.265 1.799 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@@H](N)c1ccsn1 306708366 345561779 /nfs/dbraw/zinc/56/17/79/345561779.db2.gz OEGWOIYRKUUQSJ-GKROBHDKSA-N 0 3 168.265 1.799 10 0 ADAEHN C[C@@H]1C[C@H]1[C@@H](N)c1ccsn1 306708364 345561861 /nfs/dbraw/zinc/56/18/61/345561861.db2.gz OEGWOIYRKUUQSJ-ATRFCDNQSA-N 0 3 168.265 1.799 10 0 ADAEHN C[C@@H]1C[C@H]1[C@H](N)c1ccsn1 306708367 345561898 /nfs/dbraw/zinc/56/18/98/345561898.db2.gz OEGWOIYRKUUQSJ-JKMUOGBPSA-N 0 3 168.265 1.799 10 0 ADAEHN Cc1ncsc1CN[C@@H]1CC[C@H]1O 306709439 345563019 /nfs/dbraw/zinc/56/30/19/345563019.db2.gz QYTKWCSAQHOAGJ-HTQZYQBOSA-N 0 3 198.291 1.064 10 0 ADAEHN C[C@@H]1C[C@@H]1NCc1ccc(F)nc1 306710459 345563378 /nfs/dbraw/zinc/56/33/78/345563378.db2.gz MTROFBCIOKIDCG-APPZFPTMSA-N 0 3 180.226 1.719 10 0 ADAEHN CN[C@@H](C)C(=O)N1C[C@H](C)CC[C@H]1C 306710105 345563320 /nfs/dbraw/zinc/56/33/20/345563320.db2.gz QHQICACCZHMLJQ-BBBLOLIVSA-N 0 3 198.310 1.241 10 0 ADAEHN CN[C@@H](C)C(=O)N1C[C@@H](C)CC[C@H]1C 306710104 345563527 /nfs/dbraw/zinc/56/35/27/345563527.db2.gz QHQICACCZHMLJQ-AEJSXWLSSA-N 0 3 198.310 1.241 10 0 ADAEHN C[C@H]1C[C@H]1NCc1ccc(F)nc1 306710462 345563609 /nfs/dbraw/zinc/56/36/09/345563609.db2.gz MTROFBCIOKIDCG-IONNQARKSA-N 0 3 180.226 1.719 10 0 ADAEHN N[C@@]1(c2ccsn2)CCCOCC1 306712984 345565624 /nfs/dbraw/zinc/56/56/24/345565624.db2.gz VATHFOPTFUHEEG-VIFPVBQESA-N 0 3 198.291 1.498 10 0 ADAEHN c1ncn(C2CC2)c1CN1CCCC1 306712982 345565851 /nfs/dbraw/zinc/56/58/51/345565851.db2.gz UZRUYVODXFMHPJ-UHFFFAOYSA-N 0 3 191.278 1.814 10 0 ADAEHN N[C@]1(c2ccsn2)CCCOCC1 306712983 345565891 /nfs/dbraw/zinc/56/58/91/345565891.db2.gz VATHFOPTFUHEEG-SECBINFHSA-N 0 3 198.291 1.498 10 0 ADAEHN COc1nccnc1[C@](C)(F)[C@H](C)N 306714361 345566108 /nfs/dbraw/zinc/56/61/08/345566108.db2.gz QLOLQCJDWQCMKX-IMTBSYHQSA-N 0 3 199.229 1.017 10 0 ADAEHN COc1nccnc1[C@@](C)(F)[C@@H](C)N 306714364 345566116 /nfs/dbraw/zinc/56/61/16/345566116.db2.gz QLOLQCJDWQCMKX-MUWHJKNJSA-N 0 3 199.229 1.017 10 0 ADAEHN COc1nccnc1[C@@](C)(F)[C@H](C)N 306714366 345566212 /nfs/dbraw/zinc/56/62/12/345566212.db2.gz QLOLQCJDWQCMKX-RCOVLWMOSA-N 0 3 199.229 1.017 10 0 ADAEHN COc1nccnc1[C@](C)(F)[C@@H](C)N 306714359 345566311 /nfs/dbraw/zinc/56/63/11/345566311.db2.gz QLOLQCJDWQCMKX-HZGVNTEJSA-N 0 3 199.229 1.017 10 0 ADAEHN Cc1c[nH]nc1CN[C@@H]1CC[C@H]1C 306715160 345567345 /nfs/dbraw/zinc/56/73/45/345567345.db2.gz RQGCWDUUZTXWJL-VXNVDRBHSA-N 0 3 179.267 1.606 10 0 ADAEHN COc1ccncc1[C@@H](N)C1CCC1 306715062 345567365 /nfs/dbraw/zinc/56/73/65/345567365.db2.gz YATFNRBPRBPGFT-NSHDSACASA-N 0 3 192.262 1.890 10 0 ADAEHN Cc1c[nH]nc1CN[C@H]1CC[C@@H]1C 306715158 345567466 /nfs/dbraw/zinc/56/74/66/345567466.db2.gz RQGCWDUUZTXWJL-CBAPKCEASA-N 0 3 179.267 1.606 10 0 ADAEHN Cc1c[nH]nc1CN[C@@H]1CC[C@@H]1C 306715159 345567619 /nfs/dbraw/zinc/56/76/19/345567619.db2.gz RQGCWDUUZTXWJL-IONNQARKSA-N 0 3 179.267 1.606 10 0 ADAEHN COc1ccncc1[C@H](N)C1CCC1 306715061 345567655 /nfs/dbraw/zinc/56/76/55/345567655.db2.gz YATFNRBPRBPGFT-LLVKDONJSA-N 0 3 192.262 1.890 10 0 ADAEHN c1cc(CN2CCC[C@@H]3C[C@@H]32)n[nH]1 306719403 345570891 /nfs/dbraw/zinc/57/08/91/345570891.db2.gz YAQNSEKJUYYPNM-SCZZXKLOSA-N 0 3 177.251 1.394 10 0 ADAEHN c1cc(CN2CCC[C@H]3C[C@H]32)n[nH]1 306719404 345571185 /nfs/dbraw/zinc/57/11/85/345571185.db2.gz YAQNSEKJUYYPNM-WCBMZHEXSA-N 0 3 177.251 1.394 10 0 ADAEHN Cn1cnc(CN[C@H]2CC[C@@H](F)C2)c1 306721168 345572062 /nfs/dbraw/zinc/57/20/62/345572062.db2.gz DHZOHDJKIXURKX-BDAKNGLRSA-N 0 3 197.257 1.400 10 0 ADAEHN Cn1cnc(CN[C@@H]2CC[C@H](F)C2)c1 306721170 345572157 /nfs/dbraw/zinc/57/21/57/345572157.db2.gz DHZOHDJKIXURKX-DTWKUNHWSA-N 0 3 197.257 1.400 10 0 ADAEHN Cn1cnc(CN[C@H]2CC[C@H](F)C2)c1 306721172 345572178 /nfs/dbraw/zinc/57/21/78/345572178.db2.gz DHZOHDJKIXURKX-IUCAKERBSA-N 0 3 197.257 1.400 10 0 ADAEHN Cn1cnc(CN[C@@H]2CC[C@@H](F)C2)c1 306721174 345572249 /nfs/dbraw/zinc/57/22/49/345572249.db2.gz DHZOHDJKIXURKX-RKDXNWHRSA-N 0 3 197.257 1.400 10 0 ADAEHN CCC(CC)n1nnc2c1CNCC2 306721240 345572315 /nfs/dbraw/zinc/57/23/15/345572315.db2.gz DKPCDIBMBWFXPH-UHFFFAOYSA-N 0 3 194.282 1.285 10 0 ADAEHN Cc1cscc1NC(=O)[C@@H](C)N 306722034 345572367 /nfs/dbraw/zinc/57/23/67/345572367.db2.gz PLCQLNPLIOMZNV-ZCFIWIBFSA-N 0 3 184.264 1.342 10 0 ADAEHN CC(C)n1nccc1[C@@H]1C=CCN1 306721641 345572422 /nfs/dbraw/zinc/57/24/22/345572422.db2.gz DXEJAYCQXXGHCW-VIFPVBQESA-N 0 3 177.251 1.665 10 0 ADAEHN Cc1cscc1NC(=O)[C@H](C)N 306722033 345572426 /nfs/dbraw/zinc/57/24/26/345572426.db2.gz PLCQLNPLIOMZNV-LURJTMIESA-N 0 3 184.264 1.342 10 0 ADAEHN NC1=N[C@H](c2ccsc2)COC1 306721472 345572465 /nfs/dbraw/zinc/57/24/65/345572465.db2.gz ORGLIOAZHJRQSZ-ZETCQYMHSA-N 0 3 182.248 1.177 10 0 ADAEHN CC(C)n1nccc1[C@H]1C=CCN1 306721640 345572482 /nfs/dbraw/zinc/57/24/82/345572482.db2.gz DXEJAYCQXXGHCW-SECBINFHSA-N 0 3 177.251 1.665 10 0 ADAEHN NC1=N[C@@H](c2ccsc2)COC1 306721471 345572544 /nfs/dbraw/zinc/57/25/44/345572544.db2.gz ORGLIOAZHJRQSZ-SSDOTTSWSA-N 0 3 182.248 1.177 10 0 ADAEHN Nc1cnc(-c2ccccc2)cc1N 306724023 345574480 /nfs/dbraw/zinc/57/44/80/345574480.db2.gz UDDYJUUHVZUUCE-UHFFFAOYSA-N 0 3 185.230 1.913 10 0 ADAEHN Cn1cnc(-c2ccsc2CN)c1 306724546 345575278 /nfs/dbraw/zinc/57/52/78/345575278.db2.gz IUICSMSHHVPGLA-UHFFFAOYSA-N 0 3 193.275 1.607 10 0 ADAEHN Cc1ccc([C@@H](N)C2CC2)nn1 306726663 345576479 /nfs/dbraw/zinc/57/64/79/345576479.db2.gz ZZGRYRGKZQUIFW-VIFPVBQESA-N 0 3 163.224 1.195 10 0 ADAEHN F[C@H]1CCC[C@H]1N[C@H]1CCSC1 306726244 345576488 /nfs/dbraw/zinc/57/64/88/345576488.db2.gz YXGAGWBTQPUMJS-XHNCKOQMSA-N 0 3 189.299 1.972 10 0 ADAEHN Cc1ccc([C@H](N)C2CCC2)nn1 306726586 345576665 /nfs/dbraw/zinc/57/66/65/345576665.db2.gz ZLCNDASAAMVHHY-SNVBAGLBSA-N 0 3 177.251 1.585 10 0 ADAEHN F[C@H]1CCC[C@H]1N[C@@H]1CCSC1 306726243 345576892 /nfs/dbraw/zinc/57/68/92/345576892.db2.gz YXGAGWBTQPUMJS-HRDYMLBCSA-N 0 3 189.299 1.972 10 0 ADAEHN Cc1ccc([C@@H](N)C2CCC2)nn1 306726486 345576958 /nfs/dbraw/zinc/57/69/58/345576958.db2.gz ZLCNDASAAMVHHY-JTQLQIEISA-N 0 3 177.251 1.585 10 0 ADAEHN Cn1cncc1CNc1ccncc1 306729710 345579105 /nfs/dbraw/zinc/57/91/05/345579105.db2.gz OUKUEEMMFRDEEC-UHFFFAOYSA-N 0 3 188.234 1.427 10 0 ADAEHN C[C@H]1CCCN(Cc2cnc(N)o2)C1 306730088 345579123 /nfs/dbraw/zinc/57/91/23/345579123.db2.gz PFEDSOVAHCOUAJ-QMMMGPOBSA-N 0 3 195.266 1.489 10 0 ADAEHN Cc1nc([C@]2(N)[C@H]3CCC[C@H]32)co1 306730700 345579551 /nfs/dbraw/zinc/57/95/51/345579551.db2.gz PQZGUJWQUPNRNI-DIYOJNKTSA-N 0 3 178.235 1.567 10 0 ADAEHN CC[C@H](C)N(C)CCF 306730719 345579795 /nfs/dbraw/zinc/57/97/95/345579795.db2.gz PRQQPGOVGZOMLW-ZETCQYMHSA-N 0 3 133.210 1.686 10 0 ADAEHN CC[C@@H](C)N(C)CCF 306730718 345579828 /nfs/dbraw/zinc/57/98/28/345579828.db2.gz PRQQPGOVGZOMLW-SSDOTTSWSA-N 0 3 133.210 1.686 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@H]1C[C@H]1C 306731407 345580326 /nfs/dbraw/zinc/58/03/26/345580326.db2.gz QSMQQBHGXGUAND-WEDXCCLWSA-N 0 3 179.267 1.337 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@@H]1C[C@@H]1C 306731409 345580210 /nfs/dbraw/zinc/58/02/10/345580210.db2.gz QSMQQBHGXGUAND-XKSSXDPKSA-N 0 3 179.267 1.337 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@@H]1C[C@H]1C 306731403 345580220 /nfs/dbraw/zinc/58/02/20/345580220.db2.gz QSMQQBHGXGUAND-MRTMQBJTSA-N 0 3 179.267 1.337 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@H]1C[C@@H]1C 306731405 345580322 /nfs/dbraw/zinc/58/03/22/345580322.db2.gz QSMQQBHGXGUAND-NRPADANISA-N 0 3 179.267 1.337 10 0 ADAEHN CC[C@H](N)C(=O)Nc1cscc1C 306732478 345580512 /nfs/dbraw/zinc/58/05/12/345580512.db2.gz HDLJKQYARBTJKD-ZETCQYMHSA-N 0 3 198.291 1.732 10 0 ADAEHN CC[C@@H](N)C(=O)Nc1cscc1C 306732477 345580741 /nfs/dbraw/zinc/58/07/41/345580741.db2.gz HDLJKQYARBTJKD-SSDOTTSWSA-N 0 3 198.291 1.732 10 0 ADAEHN CCCc1nc2c(n1CC)CNCC2 306731983 345580778 /nfs/dbraw/zinc/58/07/78/345580778.db2.gz RESLKIGBPDZUQE-UHFFFAOYSA-N 0 3 193.294 1.501 10 0 ADAEHN C[C@H](C[C@H]1COCCN1)[C@@H]1CCOC1 306734138 345581619 /nfs/dbraw/zinc/58/16/19/345581619.db2.gz UKDHVILWKLNRSD-MXWKQRLJSA-N 0 3 199.294 1.038 10 0 ADAEHN C[C@H](C[C@@H]1COCCN1)[C@H]1CCOC1 306734139 345581634 /nfs/dbraw/zinc/58/16/34/345581634.db2.gz UKDHVILWKLNRSD-OUAUKWLOSA-N 0 3 199.294 1.038 10 0 ADAEHN C[C@H](C[C@@H]1COCCN1)[C@@H]1CCOC1 306734137 345581774 /nfs/dbraw/zinc/58/17/74/345581774.db2.gz UKDHVILWKLNRSD-GMTAPVOTSA-N 0 3 199.294 1.038 10 0 ADAEHN CC(C)[C@](C)(O)CNc1nccn1C 306736597 345583701 /nfs/dbraw/zinc/58/37/01/345583701.db2.gz XTGOQORCYZMGQV-SNVBAGLBSA-N 0 3 197.282 1.239 10 0 ADAEHN CC(C)[C@@](C)(O)CNc1nccn1C 306736596 345583781 /nfs/dbraw/zinc/58/37/81/345583781.db2.gz XTGOQORCYZMGQV-JTQLQIEISA-N 0 3 197.282 1.239 10 0 ADAEHN CC1(C)SC[C@@H]1n1cncc1CN 306738593 345585364 /nfs/dbraw/zinc/58/53/64/345585364.db2.gz AKJYLLAMGDUNKJ-QMMMGPOBSA-N 0 3 197.307 1.408 10 0 ADAEHN CC1(C)SC[C@H]1n1cncc1CN 306738592 345585430 /nfs/dbraw/zinc/58/54/30/345585430.db2.gz AKJYLLAMGDUNKJ-MRVPVSSYSA-N 0 3 197.307 1.408 10 0 ADAEHN CCc1cn(C(C)C)c(N)n1 306739211 345585771 /nfs/dbraw/zinc/58/57/71/345585771.db2.gz APTLEZRGRGSMIA-UHFFFAOYSA-N 0 3 153.229 1.609 10 0 ADAEHN C[C@@H](NC(N)=[NH2+])c1ccc([O-])c(F)c1 306741308 345586250 /nfs/dbraw/zinc/58/62/50/345586250.db2.gz UOLCKNYMKRKWSK-RXMQYKEDSA-N 0 3 197.213 1.075 10 0 ADAEHN FCCN[C@@H]1C[C@@H]2CC=C[C@H]21 306742593 345586723 /nfs/dbraw/zinc/58/67/23/345586723.db2.gz GAYFHIYLAOFPOJ-DJLDLDEBSA-N 0 3 155.216 1.510 10 0 ADAEHN Cn1ncc(Cl)c1[C@H]1CCN1 306742995 345586659 /nfs/dbraw/zinc/58/66/59/345586659.db2.gz GPNWQEIXBVCDDD-ZCFIWIBFSA-N 0 3 171.631 1.108 10 0 ADAEHN FCCN[C@@H]1C[C@H]2CC=C[C@@H]21 306742594 345586679 /nfs/dbraw/zinc/58/66/79/345586679.db2.gz GAYFHIYLAOFPOJ-HRDYMLBCSA-N 0 3 155.216 1.510 10 0 ADAEHN C[C@@H](CO)[C@H](N)c1ccsc1 306742612 345586728 /nfs/dbraw/zinc/58/67/28/345586728.db2.gz GDEBXTNEMFWCCC-XPUUQOCRSA-N 0 3 171.265 1.376 10 0 ADAEHN FCCN[C@@H]1C[C@@H]2CC=C[C@@H]21 306742596 345586830 /nfs/dbraw/zinc/58/68/30/345586830.db2.gz GAYFHIYLAOFPOJ-XHNCKOQMSA-N 0 3 155.216 1.510 10 0 ADAEHN FCCN[C@@H]1C[C@H]2CC=C[C@H]21 306742595 345586860 /nfs/dbraw/zinc/58/68/60/345586860.db2.gz GAYFHIYLAOFPOJ-IWSPIJDZSA-N 0 3 155.216 1.510 10 0 ADAEHN C[C@H](CO)[C@@H](N)c1ccsc1 306742609 345586915 /nfs/dbraw/zinc/58/69/15/345586915.db2.gz GDEBXTNEMFWCCC-HTRCEHHLSA-N 0 3 171.265 1.376 10 0 ADAEHN Cn1ncc(Cl)c1[C@@H]1CCN1 306742994 345586965 /nfs/dbraw/zinc/58/69/65/345586965.db2.gz GPNWQEIXBVCDDD-LURJTMIESA-N 0 3 171.631 1.108 10 0 ADAEHN C[C@H](CO)[C@H](N)c1ccsc1 306742611 345587007 /nfs/dbraw/zinc/58/70/07/345587007.db2.gz GDEBXTNEMFWCCC-SVRRBLITSA-N 0 3 171.265 1.376 10 0 ADAEHN C[C@@H](CO)[C@@H](N)c1ccsc1 306742610 345587019 /nfs/dbraw/zinc/58/70/19/345587019.db2.gz GDEBXTNEMFWCCC-POYBYMJQSA-N 0 3 171.265 1.376 10 0 ADAEHN CC(=O)CN1C[C@@H](C)CC1(C)C 306744221 345588029 /nfs/dbraw/zinc/58/80/29/345588029.db2.gz IFPBGVJQFZHNKH-QMMMGPOBSA-N 0 3 169.268 1.696 10 0 ADAEHN CC(=O)CN1C[C@H](C)CC1(C)C 306744220 345588227 /nfs/dbraw/zinc/58/82/27/345588227.db2.gz IFPBGVJQFZHNKH-MRVPVSSYSA-N 0 3 169.268 1.696 10 0 ADAEHN C/C=C/Cn1cncc1[C@@H](C)N 306747143 345589129 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/nfs/dbraw/zinc/62/92/70/345629270.db2.gz SPDGHZWOAFELMV-BDAKNGLRSA-N 0 3 177.251 1.091 10 0 ADAEHN Cc1cocc1[C@@H](N)[C@H]1CCCO1 306810665 345629545 /nfs/dbraw/zinc/62/95/45/345629545.db2.gz VAPJYUWPUSVTDS-NXEZZACHSA-N 0 3 181.235 1.767 10 0 ADAEHN Cc1cocc1[C@@H](N)[C@@H]1CCCO1 306810667 345629614 /nfs/dbraw/zinc/62/96/14/345629614.db2.gz VAPJYUWPUSVTDS-VHSXEESVSA-N 0 3 181.235 1.767 10 0 ADAEHN Cc1cocc1[C@H](N)[C@@H]1CCCO1 306810666 345629633 /nfs/dbraw/zinc/62/96/33/345629633.db2.gz VAPJYUWPUSVTDS-UWVGGRQHSA-N 0 3 181.235 1.767 10 0 ADAEHN c1coc([C@H]2NC[C@H]2C2CC2)c1 306810894 345630191 /nfs/dbraw/zinc/63/01/91/345630191.db2.gz VOVIBBGTDCVVML-WPRPVWTQSA-N 0 3 163.220 1.950 10 0 ADAEHN c1coc([C@@H]2NC[C@H]2C2CC2)c1 306810893 345630231 /nfs/dbraw/zinc/63/02/31/345630231.db2.gz VOVIBBGTDCVVML-WCBMZHEXSA-N 0 3 163.220 1.950 10 0 ADAEHN c1coc([C@H]2NC[C@@H]2C2CC2)c1 306810892 345630499 /nfs/dbraw/zinc/63/04/99/345630499.db2.gz VOVIBBGTDCVVML-SCZZXKLOSA-N 0 3 163.220 1.950 10 0 ADAEHN 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197.307 1.763 10 0 ADAEHN CC1([C@@H]2CNCCO2)CCCCC1 306840928 345650203 /nfs/dbraw/zinc/65/02/03/345650203.db2.gz DEZORSDHJGCURP-JTQLQIEISA-N 0 3 183.295 1.945 10 0 ADAEHN Cc1nc(C)c(C2(N)CC2)nc1C 306841053 345650457 /nfs/dbraw/zinc/65/04/57/345650457.db2.gz AYZRIVQKQWRWKV-UHFFFAOYSA-N 0 3 177.251 1.350 10 0 ADAEHN N[C@H](c1ccns1)[C@@H]1CCCOC1 306842316 345650995 /nfs/dbraw/zinc/65/09/95/345650995.db2.gz BUFWDTAUXKBIFF-APPZFPTMSA-N 0 3 198.291 1.570 10 0 ADAEHN N[C@H](c1ccns1)[C@H]1CCCOC1 306842319 345651103 /nfs/dbraw/zinc/65/11/03/345651103.db2.gz BUFWDTAUXKBIFF-CBAPKCEASA-N 0 3 198.291 1.570 10 0 ADAEHN N[C@@H](c1ccns1)[C@@H]1CCCOC1 306842324 345651150 /nfs/dbraw/zinc/65/11/50/345651150.db2.gz BUFWDTAUXKBIFF-VXNVDRBHSA-N 0 3 198.291 1.570 10 0 ADAEHN CC[C@H]1CCN1Cc1[nH]ncc1C 306842948 345651754 /nfs/dbraw/zinc/65/17/54/345651754.db2.gz CEEABUADKYILQS-VIFPVBQESA-N 0 3 179.267 1.702 10 0 ADAEHN c1nc(CNC2=NCCCS2)co1 306842742 345651876 /nfs/dbraw/zinc/65/18/76/345651876.db2.gz 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CC[C@@H]1CNC[C@](C)([C@@H]2C[C@H]2C)O1 307164499 345856418 /nfs/dbraw/zinc/85/64/18/345856418.db2.gz GRLNGXBKIFOTPD-GWOFURMSSA-N 0 3 183.295 1.800 10 0 ADAEHN CC[C@@H]1CNC[C@](C)([C@H]2C[C@@H]2C)O1 307164501 345856548 /nfs/dbraw/zinc/85/65/48/345856548.db2.gz GRLNGXBKIFOTPD-ZRUFSTJUSA-N 0 3 183.295 1.800 10 0 ADAEHN N[C@]1(C(F)F)CCC[C@H]2C[C@H]21 307166616 345858446 /nfs/dbraw/zinc/85/84/46/345858446.db2.gz PKNVVSMZPOIKBY-SHYZEUOFSA-N 0 3 161.195 1.769 10 0 ADAEHN N[C@]1(C(F)F)CCC[C@@H]2C[C@@H]21 307166615 345858531 /nfs/dbraw/zinc/85/85/31/345858531.db2.gz PKNVVSMZPOIKBY-GKROBHDKSA-N 0 3 161.195 1.769 10 0 ADAEHN c1n[nH]cc1CN1CCC[C@H]2C[C@H]21 307166858 345859258 /nfs/dbraw/zinc/85/92/58/345859258.db2.gz QDGZCWWYNNQTHM-VHSXEESVSA-N 0 3 177.251 1.394 10 0 ADAEHN CCC[C@@]1(C2CC2)CNC[C@H](C)O1 307167808 345860316 /nfs/dbraw/zinc/86/03/16/345860316.db2.gz SORIATOTJXECKD-ONGXEEELSA-N 0 3 183.295 1.944 10 0 ADAEHN CCC[C@]1(C2CC2)CNC[C@H](C)O1 307167805 345860204 /nfs/dbraw/zinc/86/02/04/345860204.db2.gz SORIATOTJXECKD-GXSJLCMTSA-N 0 3 183.295 1.944 10 0 ADAEHN CCC[C@]1(C2CC2)CNC[C@@H](C)O1 307167807 345860218 /nfs/dbraw/zinc/86/02/18/345860218.db2.gz SORIATOTJXECKD-MWLCHTKSSA-N 0 3 183.295 1.944 10 0 ADAEHN CCC[C@@]1(C2CC2)CNC[C@@H](C)O1 307167806 345860438 /nfs/dbraw/zinc/86/04/38/345860438.db2.gz SORIATOTJXECKD-KOLCDFICSA-N 0 3 183.295 1.944 10 0 ADAEHN CSC(C)(C)c1ncc(CN)cn1 307167706 345860654 /nfs/dbraw/zinc/86/06/54/345860654.db2.gz SEYZATMHJHCUDD-UHFFFAOYSA-N 0 3 197.307 1.533 10 0 ADAEHN CC1CN(Cc2ccn(C)c2)C1 307168605 345860919 /nfs/dbraw/zinc/86/09/19/345860919.db2.gz VPALMLIRVVGUNX-UHFFFAOYSA-N 0 3 164.252 1.477 10 0 ADAEHN C[C@@H]1CCC[C@H](CO)N1CCF 307169306 345862133 /nfs/dbraw/zinc/86/21/33/345862133.db2.gz XTJZJMAUJDZSPS-RKDXNWHRSA-N 0 3 175.247 1.191 10 0 ADAEHN C[C@@H]1CCC[C@@H](CO)N1CCF 307169303 345862242 /nfs/dbraw/zinc/86/22/42/345862242.db2.gz XTJZJMAUJDZSPS-BDAKNGLRSA-N 0 3 175.247 1.191 10 0 ADAEHN 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C[C@@H]1NC[C@@]2(CCC2(C)C)O[C@@H]1C 307183564 345872426 /nfs/dbraw/zinc/87/24/26/345872426.db2.gz YLJKAGVSLYHYKY-IQJOONFLSA-N 0 3 183.295 1.942 10 0 ADAEHN C[C@@H]1NC[C@]2(CCC2(C)C)O[C@H]1C 307183566 345872444 /nfs/dbraw/zinc/87/24/44/345872444.db2.gz YLJKAGVSLYHYKY-QXEWZRGKSA-N 0 3 183.295 1.942 10 0 ADAEHN CCCn1ncnc1[C@@]1(C)CCCN1 307185062 345873673 /nfs/dbraw/zinc/87/36/73/345873673.db2.gz GYULBPDLDMYJDQ-SNVBAGLBSA-N 0 3 194.282 1.287 10 0 ADAEHN Cn1ncc(-c2ccsc2CN)n1 307188440 345875675 /nfs/dbraw/zinc/87/56/75/345875675.db2.gz RIBMRJPUJSBHKG-UHFFFAOYSA-N 0 3 194.263 1.002 10 0 ADAEHN Cc1n[nH]cc1CN1CCC1(C)C 307188466 345875788 /nfs/dbraw/zinc/87/57/88/345875788.db2.gz BKPVHUPSLNIYIG-UHFFFAOYSA-N 0 3 179.267 1.702 10 0 ADAEHN C[C@H]1C[C@H](C)N1CCn1cccn1 307191505 345877159 /nfs/dbraw/zinc/87/71/59/345877159.db2.gz KLXDDUCPAOISRL-UWVGGRQHSA-N 0 3 179.267 1.366 10 0 ADAEHN Cc1ncc(C2(N)CC2)nc1C 307191213 345877245 /nfs/dbraw/zinc/87/72/45/345877245.db2.gz YVZLOPJAHWNZIP-UHFFFAOYSA-N 0 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0 3 198.291 1.023 10 0 ADAEHN FC1(F)CC[C@@H](NC2COC2)C1 307258840 345929599 /nfs/dbraw/zinc/92/95/99/345929599.db2.gz BXUBOHZBBGMSAM-ZCFIWIBFSA-N 0 3 177.194 1.163 10 0 ADAEHN CC(C)(N)[C@@H](F)c1ccc[nH]1 307258416 345929506 /nfs/dbraw/zinc/92/95/06/345929506.db2.gz JOSXFPMGZHSLTK-ZETCQYMHSA-N 0 3 156.204 1.763 10 0 ADAEHN CC(C)(N)[C@H](F)c1ccc[nH]1 307258415 345929559 /nfs/dbraw/zinc/92/95/59/345929559.db2.gz JOSXFPMGZHSLTK-SSDOTTSWSA-N 0 3 156.204 1.763 10 0 ADAEHN FC1(F)CC[C@H](NC2COC2)C1 307258839 345929940 /nfs/dbraw/zinc/92/99/40/345929940.db2.gz BXUBOHZBBGMSAM-LURJTMIESA-N 0 3 177.194 1.163 10 0 ADAEHN Cn1cncc1[C@@H]1NCC12CCC2 307259023 345930172 /nfs/dbraw/zinc/93/01/72/345930172.db2.gz JWTAMOIFHHIDPZ-VIFPVBQESA-N 0 3 177.251 1.235 10 0 ADAEHN Cn1cncc1[C@H]1NCC12CCC2 307259022 345930215 /nfs/dbraw/zinc/93/02/15/345930215.db2.gz JWTAMOIFHHIDPZ-SECBINFHSA-N 0 3 177.251 1.235 10 0 ADAEHN CC[C@@H]1N[C@H](C)CO[C@H]1CC 307260026 345930813 /nfs/dbraw/zinc/93/08/13/345930813.db2.gz RXPYKENUJRNXBH-VGMNWLOBSA-N 0 3 157.257 1.552 10 0 ADAEHN CC[C@@H]1N[C@H](C)CO[C@@H]1CC 307260025 345930842 /nfs/dbraw/zinc/93/08/42/345930842.db2.gz RXPYKENUJRNXBH-HRDYMLBCSA-N 0 3 157.257 1.552 10 0 ADAEHN NCc1cc(N2CCC2)ncc1Cl 307260379 345930930 /nfs/dbraw/zinc/93/09/30/345930930.db2.gz MIEGKVSNLXMYMU-UHFFFAOYSA-N 0 3 197.669 1.404 10 0 ADAEHN CC[C@@H]1N[C@@H](C)CO[C@H]1CC 307260024 345930934 /nfs/dbraw/zinc/93/09/34/345930934.db2.gz RXPYKENUJRNXBH-CIUDSAMLSA-N 0 3 157.257 1.552 10 0 ADAEHN CC[C@@H]1N[C@@H](C)CO[C@@H]1CC 307260027 345931057 /nfs/dbraw/zinc/93/10/57/345931057.db2.gz RXPYKENUJRNXBH-XHNCKOQMSA-N 0 3 157.257 1.552 10 0 ADAEHN C[C@]1(O)CCC[C@@H]1NCc1ccno1 307261195 345931438 /nfs/dbraw/zinc/93/14/38/345931438.db2.gz UUBZPVNWPITUGY-UWVGGRQHSA-N 0 3 196.250 1.068 10 0 ADAEHN C[C@@]1(O)CCC[C@H]1NCc1ccno1 307261194 345931444 /nfs/dbraw/zinc/93/14/44/345931444.db2.gz UUBZPVNWPITUGY-NXEZZACHSA-N 0 3 196.250 1.068 10 0 ADAEHN C[C@]1(O)CCC[C@H]1NCc1ccno1 307261197 345931690 /nfs/dbraw/zinc/93/16/90/345931690.db2.gz UUBZPVNWPITUGY-ZJUUUORDSA-N 0 3 196.250 1.068 10 0 ADAEHN C[C@@]1(O)CCC[C@@H]1NCc1ccno1 307261196 345931751 /nfs/dbraw/zinc/93/17/51/345931751.db2.gz UUBZPVNWPITUGY-VHSXEESVSA-N 0 3 196.250 1.068 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@H](N)c1cn(C)cn1 307263333 345933243 /nfs/dbraw/zinc/93/32/43/345933243.db2.gz VEHFUNBQJMBQPK-FJXKBIBVSA-N 0 3 165.240 1.076 10 0 ADAEHN C[C@@H]1C[C@H]1[C@H](N)c1cn(C)cn1 307263331 345933262 /nfs/dbraw/zinc/93/32/62/345933262.db2.gz VEHFUNBQJMBQPK-BHNWBGBOSA-N 0 3 165.240 1.076 10 0 ADAEHN C[C@@H]1C[C@H]1[C@@H](N)c1cn(C)cn1 307263334 345933351 /nfs/dbraw/zinc/93/33/51/345933351.db2.gz VEHFUNBQJMBQPK-ZXFLCMHBSA-N 0 3 165.240 1.076 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@@H](N)c1cn(C)cn1 307263332 345933367 /nfs/dbraw/zinc/93/33/67/345933367.db2.gz VEHFUNBQJMBQPK-BKPPORCPSA-N 0 3 165.240 1.076 10 0 ADAEHN COc1ccc([C@H](F)CN)s1 307264305 345933621 /nfs/dbraw/zinc/93/36/21/345933621.db2.gz FIVUSYXXMRBSQO-RXMQYKEDSA-N 0 3 175.228 1.726 10 0 ADAEHN CNC(C)(C)[C@H](F)c1cnn(C)c1 307264290 345933676 /nfs/dbraw/zinc/93/36/76/345933676.db2.gz BPIPNSKDKVFYAI-MRVPVSSYSA-N 0 3 185.246 1.429 10 0 ADAEHN CC(=O)[C@H](C)N1CC2CCC1CC2 307264632 345933885 /nfs/dbraw/zinc/93/38/85/345933885.db2.gz XIGKQGNIQBBBTP-PUSIOWJLSA-N 0 3 181.279 1.838 10 0 ADAEHN COc1ccc([C@@H](F)CN)s1 307264310 345933807 /nfs/dbraw/zinc/93/38/07/345933807.db2.gz FIVUSYXXMRBSQO-YFKPBYRVSA-N 0 3 175.228 1.726 10 0 ADAEHN CC(=O)[C@@H](C)N1CC2CCC1CC2 307264631 345933847 /nfs/dbraw/zinc/93/38/47/345933847.db2.gz XIGKQGNIQBBBTP-MFAVDMRSSA-N 0 3 181.279 1.838 10 0 ADAEHN CNC(C)(C)[C@@H](F)c1cnn(C)c1 307264292 345933941 /nfs/dbraw/zinc/93/39/41/345933941.db2.gz BPIPNSKDKVFYAI-QMMMGPOBSA-N 0 3 185.246 1.429 10 0 ADAEHN CC(C)[C@H]1CN[C@H]1c1ccn(C)n1 307264809 345934387 /nfs/dbraw/zinc/93/43/87/345934387.db2.gz CPBRPDNECUADKG-PSASIEDQSA-N 0 3 179.267 1.337 10 0 ADAEHN CC(C)[C@H]1CN[C@@H]1c1ccn(C)n1 307264810 345934515 /nfs/dbraw/zinc/93/45/15/345934515.db2.gz CPBRPDNECUADKG-SCZZXKLOSA-N 0 3 179.267 1.337 10 0 ADAEHN CC1([C@@H]2CNCCO2)CCCC1 307265333 345934531 /nfs/dbraw/zinc/93/45/31/345934531.db2.gz DRRLJEQRWHZCGB-VIFPVBQESA-N 0 3 169.268 1.555 10 0 ADAEHN CC(C)[C@@H]1CN[C@H]1c1ccn(C)n1 307264811 345934544 /nfs/dbraw/zinc/93/45/44/345934544.db2.gz CPBRPDNECUADKG-WCBMZHEXSA-N 0 3 179.267 1.337 10 0 ADAEHN CC1([C@H]2CNCCO2)CCCC1 307265332 345934591 /nfs/dbraw/zinc/93/45/91/345934591.db2.gz DRRLJEQRWHZCGB-SECBINFHSA-N 0 3 169.268 1.555 10 0 ADAEHN F[C@@H](C1=COCC1)[C@@H]1CCCCN1 307266107 345934989 /nfs/dbraw/zinc/93/49/89/345934989.db2.gz ZHVCSOBSGPSESB-UWVGGRQHSA-N 0 3 185.242 1.771 10 0 ADAEHN F[C@H](C1=COCC1)[C@H]1CCCCN1 307266106 345935066 /nfs/dbraw/zinc/93/50/66/345935066.db2.gz ZHVCSOBSGPSESB-NXEZZACHSA-N 0 3 185.242 1.771 10 0 ADAEHN F[C@H](C1=COCC1)[C@@H]1CCCCN1 307266108 345935131 /nfs/dbraw/zinc/93/51/31/345935131.db2.gz ZHVCSOBSGPSESB-VHSXEESVSA-N 0 3 185.242 1.771 10 0 ADAEHN CC[C@]1(C)C[C@H]1NC1COC1 307266537 345935495 /nfs/dbraw/zinc/93/54/95/345935495.db2.gz CYGSBTYRPRFPND-RKDXNWHRSA-N 0 3 155.241 1.163 10 0 ADAEHN CC[C@@]1(C)C[C@@H]1NC1COC1 307266533 345935590 /nfs/dbraw/zinc/93/55/90/345935590.db2.gz CYGSBTYRPRFPND-IUCAKERBSA-N 0 3 155.241 1.163 10 0 ADAEHN CC[C@@]1(C)C[C@H]1NC1COC1 307266524 345935603 /nfs/dbraw/zinc/93/56/03/345935603.db2.gz CYGSBTYRPRFPND-BDAKNGLRSA-N 0 3 155.241 1.163 10 0 ADAEHN CC[C@]1(C)C[C@@H]1NC1COC1 307266528 345935760 /nfs/dbraw/zinc/93/57/60/345935760.db2.gz CYGSBTYRPRFPND-DTWKUNHWSA-N 0 3 155.241 1.163 10 0 ADAEHN Cc1ncc(CN2CCC2(C)C)[nH]1 307267720 345936334 /nfs/dbraw/zinc/93/63/34/345936334.db2.gz FCJVTXBMYDJKRQ-UHFFFAOYSA-N 0 3 179.267 1.702 10 0 ADAEHN CCC1(NC2=NCCS2)CC1 307270478 345937756 /nfs/dbraw/zinc/93/77/56/345937756.db2.gz HRDKJJQQRUQZGU-UHFFFAOYSA-N 0 3 170.281 1.621 10 0 ADAEHN Cn1ccc([C@@H]2NCC2(C)C)n1 307269872 345937769 /nfs/dbraw/zinc/93/77/69/345937769.db2.gz OLALWBDATSHGGQ-QMMMGPOBSA-N 0 3 165.240 1.091 10 0 ADAEHN Cn1ccc([C@H]2NCC2(C)C)n1 307269871 345937900 /nfs/dbraw/zinc/93/79/00/345937900.db2.gz OLALWBDATSHGGQ-MRVPVSSYSA-N 0 3 165.240 1.091 10 0 ADAEHN CN[C@@H](C)c1ccc(C)nn1 307273386 345939821 /nfs/dbraw/zinc/93/98/21/345939821.db2.gz IMEOMTRJGPJASJ-ZETCQYMHSA-N 0 3 151.213 1.065 10 0 ADAEHN CCCc1c(C)nc2n1CCCN2 307273563 345939843 /nfs/dbraw/zinc/93/98/43/345939843.db2.gz XBEPHTBGQWZBQN-UHFFFAOYSA-N 0 3 179.267 1.960 10 0 ADAEHN CC[C@H](C)[C@]1(C)COCCN1 307275973 345941453 /nfs/dbraw/zinc/94/14/53/345941453.db2.gz TXTVDNUFBQEQHZ-IUCAKERBSA-N 0 3 157.257 1.411 10 0 ADAEHN CC[C@@H](C)[C@]1(C)COCCN1 307275971 345941705 /nfs/dbraw/zinc/94/17/05/345941705.db2.gz TXTVDNUFBQEQHZ-BDAKNGLRSA-N 0 3 157.257 1.411 10 0 ADAEHN CC[C@@H](C)[C@@]1(C)COCCN1 307275974 345941734 /nfs/dbraw/zinc/94/17/34/345941734.db2.gz TXTVDNUFBQEQHZ-RKDXNWHRSA-N 0 3 157.257 1.411 10 0 ADAEHN CC1(C)[C@@H](O)CCN1Cc1ccno1 307277117 345942225 /nfs/dbraw/zinc/94/22/25/345942225.db2.gz RDBLBIJBUGLYKG-VIFPVBQESA-N 0 3 196.250 1.020 10 0 ADAEHN 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175.235 1.061 10 0 ADAEHN N[C@H](c1ccsn1)[C@H]1[C@@H]2COC[C@@H]21 307279086 345943691 /nfs/dbraw/zinc/94/36/91/345943691.db2.gz WCRQYCSGAGDIOW-CRYJXSNHSA-N 0 3 196.275 1.035 10 0 ADAEHN Cn1ccc([C@H](N)[C@]2(C)C[C@@H]2F)n1 307280235 345944056 /nfs/dbraw/zinc/94/40/56/345944056.db2.gz YOKVGZPXLBFXFG-XHNCKOQMSA-N 0 3 183.230 1.168 10 0 ADAEHN Cn1ccc([C@H](N)[C@@]2(C)C[C@@H]2F)n1 307280232 345944066 /nfs/dbraw/zinc/94/40/66/345944066.db2.gz YOKVGZPXLBFXFG-CIUDSAMLSA-N 0 3 183.230 1.168 10 0 ADAEHN Cn1ccc([C@H](N)[C@@]2(C)C[C@H]2F)n1 307280234 345944391 /nfs/dbraw/zinc/94/43/91/345944391.db2.gz YOKVGZPXLBFXFG-VGMNWLOBSA-N 0 3 183.230 1.168 10 0 ADAEHN CC(C)[C@H](C)C(=O)[C@H](C)N 307284342 345946921 /nfs/dbraw/zinc/94/69/21/345946921.db2.gz KWGVSDILRCJBPH-BQBZGAKWSA-N 0 3 143.230 1.195 10 0 ADAEHN CC(C)[C@@H](C)C(=O)[C@H](C)N 307284345 345947007 /nfs/dbraw/zinc/94/70/07/345947007.db2.gz KWGVSDILRCJBPH-RQJHMYQMSA-N 0 3 143.230 1.195 10 0 ADAEHN CC(C)[C@@H](C)C(=O)[C@@H](C)N 307284344 345947028 /nfs/dbraw/zinc/94/70/28/345947028.db2.gz KWGVSDILRCJBPH-RNFRBKRXSA-N 0 3 143.230 1.195 10 0 ADAEHN CC(C)[C@H](C)C(=O)[C@@H](C)N 307284343 345947207 /nfs/dbraw/zinc/94/72/07/345947207.db2.gz KWGVSDILRCJBPH-NKWVEPMBSA-N 0 3 143.230 1.195 10 0 ADAEHN Cc1nc([C@@H](F)CN)cs1 307285903 345947495 /nfs/dbraw/zinc/94/74/95/345947495.db2.gz PRQWGXSNZWEKJB-YFKPBYRVSA-N 0 3 160.217 1.421 10 0 ADAEHN Cc1nc([C@H](F)CN)cs1 307285902 345947770 /nfs/dbraw/zinc/94/77/70/345947770.db2.gz PRQWGXSNZWEKJB-RXMQYKEDSA-N 0 3 160.217 1.421 10 0 ADAEHN CCCn1c(N)nc2c1CCSC2 307286781 345948261 /nfs/dbraw/zinc/94/82/61/345948261.db2.gz SBHYTEHYKXLTNU-UHFFFAOYSA-N 0 3 197.307 1.665 10 0 ADAEHN CN[C@]1(C(F)F)CCN(C)C[C@@H]1C 307287427 345948531 /nfs/dbraw/zinc/94/85/31/345948531.db2.gz UPOYDQCEAFZCNL-IONNQARKSA-N 0 3 192.253 1.181 10 0 ADAEHN C[C@@H]1OCC[C@H]1N[C@H]1CCC[C@H]1F 307287222 345948616 /nfs/dbraw/zinc/94/86/16/345948616.db2.gz UBNDBRFYYPUQIF-JLIMGVALSA-N 0 3 187.258 1.644 10 0 ADAEHN 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CC[C@]1([C@@H]2C[C@@H]2C)CNC[C@H](C)O1 307299266 345954775 /nfs/dbraw/zinc/95/47/75/345954775.db2.gz AWJZKIUROGRLIG-UKKRHICBSA-N 0 3 183.295 1.800 10 0 ADAEHN CC[C@]1([C@@H]2C[C@@H]2C)CNC[C@@H](C)O1 307299265 345954786 /nfs/dbraw/zinc/95/47/86/345954786.db2.gz AWJZKIUROGRLIG-LNFKQOIKSA-N 0 3 183.295 1.800 10 0 ADAEHN CC[C@]1([C@@H]2C[C@H]2C)CNC[C@@H](C)O1 307299263 345954960 /nfs/dbraw/zinc/95/49/60/345954960.db2.gz AWJZKIUROGRLIG-GWOFURMSSA-N 0 3 183.295 1.800 10 0 ADAEHN CC[C@]1([C@@H]2C[C@H]2C)CNC[C@H](C)O1 307299264 345954966 /nfs/dbraw/zinc/95/49/66/345954966.db2.gz AWJZKIUROGRLIG-LMLFDSFASA-N 0 3 183.295 1.800 10 0 ADAEHN COC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C 307303860 345957423 /nfs/dbraw/zinc/95/74/23/345957423.db2.gz DWFFASHDPLEOGD-VGMNWLOBSA-N 0 3 185.267 1.278 10 0 ADAEHN COC(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C 307303858 345957445 /nfs/dbraw/zinc/95/74/45/345957445.db2.gz DWFFASHDPLEOGD-HLTSFMKQSA-N 0 3 185.267 1.278 10 0 ADAEHN F[C@]1(c2ccns2)CCNC1 307303814 345957571 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VRJXYNDGPHDKGW-RXMQYKEDSA-N 0 3 194.263 1.553 10 0 ADAEHN Cc1ncc([C@@]2(F)CCCNC2)n1C 307724187 346204176 /nfs/dbraw/zinc/20/41/76/346204176.db2.gz XKJQEFRDSQLKTL-SNVBAGLBSA-N 0 3 197.257 1.277 10 0 ADAEHN Cc1ncc([C@]2(F)CCCNC2)n1C 307724186 346204269 /nfs/dbraw/zinc/20/42/69/346204269.db2.gz XKJQEFRDSQLKTL-JTQLQIEISA-N 0 3 197.257 1.277 10 0 ADAEHN O[C@H]1CCC[C@@H](Nc2ccncc2)C1 307724559 346204278 /nfs/dbraw/zinc/20/42/78/346204278.db2.gz YPUJORJIJFNPOX-MNOVXSKESA-N 0 3 192.262 1.797 10 0 ADAEHN O[C@@H]1CCC[C@@H](Nc2ccncc2)C1 307724558 346204307 /nfs/dbraw/zinc/20/43/07/346204307.db2.gz YPUJORJIJFNPOX-GHMZBOCLSA-N 0 3 192.262 1.797 10 0 ADAEHN CC[C@H]1CCC[C@@]12COCCN2 307728078 346206127 /nfs/dbraw/zinc/20/61/27/346206127.db2.gz FSTZOFGCTUJROI-VHSXEESVSA-N 0 3 169.268 1.555 10 0 ADAEHN CC[C@@H]1CCC[C@]12COCCN2 307728083 346206359 /nfs/dbraw/zinc/20/63/59/346206359.db2.gz FSTZOFGCTUJROI-ZJUUUORDSA-N 0 3 169.268 1.555 10 0 ADAEHN CC[C@@H]1CCC[C@@]12COCCN2 307728074 346206447 /nfs/dbraw/zinc/20/64/47/346206447.db2.gz FSTZOFGCTUJROI-NXEZZACHSA-N 0 3 169.268 1.555 10 0 ADAEHN CC[C@H]1CCC[C@]12COCCN2 307728075 346206473 /nfs/dbraw/zinc/20/64/73/346206473.db2.gz FSTZOFGCTUJROI-UWVGGRQHSA-N 0 3 169.268 1.555 10 0 ADAEHN CC1=CCN(C[C@H]2CCCO2)CC1 307729064 346207054 /nfs/dbraw/zinc/20/70/54/346207054.db2.gz GRWQACXNQWNXSY-LLVKDONJSA-N 0 3 181.279 1.817 10 0 ADAEHN CC1(C)CC[C@@H]1n1cncc1CN 307731477 346208570 /nfs/dbraw/zinc/20/85/70/346208570.db2.gz MYZPYZTVCYVMDU-VIFPVBQESA-N 0 3 179.267 1.703 10 0 ADAEHN CC1(C)CC[C@H]1n1cncc1CN 307731476 346208852 /nfs/dbraw/zinc/20/88/52/346208852.db2.gz MYZPYZTVCYVMDU-SECBINFHSA-N 0 3 179.267 1.703 10 0 ADAEHN NCc1cnc(N2C[C@H]3C[C@H]3C2)s1 307732934 346209515 /nfs/dbraw/zinc/20/95/15/346209515.db2.gz MKCFZHMGCGHHID-KNVOCYPGSA-N 0 3 195.291 1.058 10 0 ADAEHN CC(C)(N)[C@@H](F)c1cccnc1 307734079 346209965 /nfs/dbraw/zinc/20/99/65/346209965.db2.gz OKGFOEUKQCBONX-QMMMGPOBSA-N 0 3 168.215 1.830 10 0 ADAEHN CC(C)(N)[C@H](F)c1cccnc1 307734078 346209970 /nfs/dbraw/zinc/20/99/70/346209970.db2.gz OKGFOEUKQCBONX-MRVPVSSYSA-N 0 3 168.215 1.830 10 0 ADAEHN Cc1cscc1C1=NCCCN1 307734685 346210359 /nfs/dbraw/zinc/21/03/59/346210359.db2.gz PGCKHNAWMWTGCG-UHFFFAOYSA-N 0 3 180.276 1.796 10 0 ADAEHN Cc1cocc1[C@H]1C=CCN1 307735059 346210408 /nfs/dbraw/zinc/21/04/08/346210408.db2.gz WVPFJUSYOCCOTC-SECBINFHSA-N 0 3 149.193 1.789 10 0 ADAEHN Cc1cocc1[C@@H]1C=CCN1 307735062 346210494 /nfs/dbraw/zinc/21/04/94/346210494.db2.gz WVPFJUSYOCCOTC-VIFPVBQESA-N 0 3 149.193 1.789 10 0 ADAEHN C[C@]1([C@H](N)c2ccc[nH]2)C[C@@H]1F 307735552 346210975 /nfs/dbraw/zinc/21/09/75/346210975.db2.gz YDQQHQAEXBXIBT-YIZRAAEISA-N 0 3 168.215 1.763 10 0 ADAEHN C[C@]1([C@@H](N)c2ccc[nH]2)C[C@H]1F 307735551 346210983 /nfs/dbraw/zinc/21/09/83/346210983.db2.gz YDQQHQAEXBXIBT-VGMNWLOBSA-N 0 3 168.215 1.763 10 0 ADAEHN C[C@]1([C@H](N)c2ccc[nH]2)C[C@H]1F 307735550 346211097 /nfs/dbraw/zinc/21/10/97/346211097.db2.gz YDQQHQAEXBXIBT-HLTSFMKQSA-N 0 3 168.215 1.763 10 0 ADAEHN C[C@]1([C@@H](N)c2ccc[nH]2)C[C@@H]1F 307735549 346211114 /nfs/dbraw/zinc/21/11/14/346211114.db2.gz YDQQHQAEXBXIBT-CIUDSAMLSA-N 0 3 168.215 1.763 10 0 ADAEHN CCn1c([C@H]2CCCO2)cnc1N 307737168 346211704 /nfs/dbraw/zinc/21/17/04/346211704.db2.gz UCIFTCJYJDYBED-MRVPVSSYSA-N 0 3 181.239 1.337 10 0 ADAEHN CCn1c([C@@H]2CCCO2)cnc1N 307737169 346211768 /nfs/dbraw/zinc/21/17/68/346211768.db2.gz UCIFTCJYJDYBED-QMMMGPOBSA-N 0 3 181.239 1.337 10 0 ADAEHN NCc1cnc(N2CC=CCC2)s1 307738182 346211979 /nfs/dbraw/zinc/21/19/79/346211979.db2.gz WEDDYZVVEAMGGJ-UHFFFAOYSA-N 0 3 195.291 1.368 10 0 ADAEHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCSC1 307739461 346212527 /nfs/dbraw/zinc/21/25/27/346212527.db2.gz YXGAGWBTQPUMJS-HLTSFMKQSA-N 0 3 189.299 1.972 10 0 ADAEHN CC(=O)CN1C[C@H]2CCCC[C@@H]2C1 307739703 346212658 /nfs/dbraw/zinc/21/26/58/346212658.db2.gz ZKUSVIWQHUVRBI-GHMZBOCLSA-N 0 3 181.279 1.697 10 0 ADAEHN Cc1ncccc1CN1CC(C)C1 307740602 346212672 /nfs/dbraw/zinc/21/26/72/346212672.db2.gz HSUACUAAYPKSOK-UHFFFAOYSA-N 0 3 176.263 1.842 10 0 ADAEHN CCCN1CCO[C@H](C2CC2)C1 307740643 346212750 /nfs/dbraw/zinc/21/27/50/346212750.db2.gz HXBPMIIFMKGONU-JTQLQIEISA-N 0 3 169.268 1.507 10 0 ADAEHN F[C@@H]1CCC[C@@H]1N[C@H]1CCSC1 307739462 346212716 /nfs/dbraw/zinc/21/27/16/346212716.db2.gz YXGAGWBTQPUMJS-YIZRAAEISA-N 0 3 189.299 1.972 10 0 ADAEHN CC(=O)CN1C[C@@H]2CCCC[C@H]2C1 307739704 346212943 /nfs/dbraw/zinc/21/29/43/346212943.db2.gz ZKUSVIWQHUVRBI-QWRGUYRKSA-N 0 3 181.279 1.697 10 0 ADAEHN Cc1occc1[C@H](N)C1=COCC1 307743209 346213832 /nfs/dbraw/zinc/21/38/32/346213832.db2.gz LRPFSYOOCZZXNL-SNVBAGLBSA-N 0 3 179.219 1.892 10 0 ADAEHN Cc1occc1[C@@H](N)C1=COCC1 307743207 346214096 /nfs/dbraw/zinc/21/40/96/346214096.db2.gz LRPFSYOOCZZXNL-JTQLQIEISA-N 0 3 179.219 1.892 10 0 ADAEHN C[C@@H]1SCC[C@H]1N[C@H](C)CF 307745994 346216499 /nfs/dbraw/zinc/21/64/99/346216499.db2.gz UCLYFJZHAWASJY-GJMOJQLCSA-N 0 3 177.288 1.828 10 0 ADAEHN C[C@@H]1SCC[C@@H]1N[C@H](C)CF 307745993 346216544 /nfs/dbraw/zinc/21/65/44/346216544.db2.gz UCLYFJZHAWASJY-CSMHCCOUSA-N 0 3 177.288 1.828 10 0 ADAEHN Cc1ncc(CN2CC(C)C2)[nH]1 307746305 346216706 /nfs/dbraw/zinc/21/67/06/346216706.db2.gz VBJNVLWSLZPZGY-UHFFFAOYSA-N 0 3 165.240 1.170 10 0 ADAEHN C[C@H](CF)N[C@H]1CCS[C@@H]1C 307745995 346216725 /nfs/dbraw/zinc/21/67/25/346216725.db2.gz UCLYFJZHAWASJY-PRJMDXOYSA-N 0 3 177.288 1.828 10 0 ADAEHN C[C@H](CF)N[C@@H]1CCS[C@@H]1C 307745992 346216730 /nfs/dbraw/zinc/21/67/30/346216730.db2.gz UCLYFJZHAWASJY-BWZBUEFSSA-N 0 3 177.288 1.828 10 0 ADAEHN CCSc1nc(C)ncc1CN 307746316 346216796 /nfs/dbraw/zinc/21/67/96/346216796.db2.gz VCORFQCGRNONDB-UHFFFAOYSA-N 0 3 183.280 1.356 10 0 ADAEHN CC[C@@H]1CC[C@@](N)(c2cn(C)nn2)C1 307747666 346217710 /nfs/dbraw/zinc/21/77/10/346217710.db2.gz ZINYGLLMHRUILD-SCZZXKLOSA-N 0 3 194.282 1.179 10 0 ADAEHN CC[C@H]1CC[C@@](N)(c2cn(C)nn2)C1 307747668 346217715 /nfs/dbraw/zinc/21/77/15/346217715.db2.gz ZINYGLLMHRUILD-WPRPVWTQSA-N 0 3 194.282 1.179 10 0 ADAEHN CC[C@H]1CC[C@](N)(c2cn(C)nn2)C1 307747667 346217782 /nfs/dbraw/zinc/21/77/82/346217782.db2.gz ZINYGLLMHRUILD-WCBMZHEXSA-N 0 3 194.282 1.179 10 0 ADAEHN CC[C@@H]1CC[C@](N)(c2cn(C)nn2)C1 307747665 346217859 /nfs/dbraw/zinc/21/78/59/346217859.db2.gz ZINYGLLMHRUILD-PSASIEDQSA-N 0 3 194.282 1.179 10 0 ADAEHN Cc1nc([C@@]2(O)CCCNC2)cs1 307748970 346218731 /nfs/dbraw/zinc/21/87/31/346218731.db2.gz FACWZNKPNWAUPT-SECBINFHSA-N 0 3 198.291 1.023 10 0 ADAEHN Cc1nc([C@]2(O)CCCNC2)cs1 307748971 346218767 /nfs/dbraw/zinc/21/87/67/346218767.db2.gz FACWZNKPNWAUPT-VIFPVBQESA-N 0 3 198.291 1.023 10 0 ADAEHN Cc1cnn(C)c1CN[C@H]1C[C@H]1C 307749755 346218791 /nfs/dbraw/zinc/21/87/91/346218791.db2.gz HVDUEPQTLRCEMJ-APPZFPTMSA-N 0 3 179.267 1.227 10 0 ADAEHN Cc1cnn(C)c1CN[C@H]1C[C@@H]1C 307749756 346218878 /nfs/dbraw/zinc/21/88/78/346218878.db2.gz HVDUEPQTLRCEMJ-CBAPKCEASA-N 0 3 179.267 1.227 10 0 ADAEHN Cc1cnn(C)c1CN[C@@H]1C[C@@H]1C 307749757 346218896 /nfs/dbraw/zinc/21/88/96/346218896.db2.gz HVDUEPQTLRCEMJ-IONNQARKSA-N 0 3 179.267 1.227 10 0 ADAEHN COc1ccncc1[C@@H](N)C1(C)CC1 307752584 346221474 /nfs/dbraw/zinc/22/14/74/346221474.db2.gz SAIOONGFVSIEDM-SNVBAGLBSA-N 0 3 192.262 1.890 10 0 ADAEHN COc1ccncc1[C@H](N)C1(C)CC1 307752583 346221555 /nfs/dbraw/zinc/22/15/55/346221555.db2.gz SAIOONGFVSIEDM-JTQLQIEISA-N 0 3 192.262 1.890 10 0 ADAEHN C[C@H](N)c1ccnc(NC2CC2)n1 307753736 346222809 /nfs/dbraw/zinc/22/28/09/346222809.db2.gz WXJGEYCIVNZTPR-LURJTMIESA-N 0 3 178.239 1.071 10 0 ADAEHN Cc1ncc([C@@H](N)C2CCC2)n1C 307754073 346222854 /nfs/dbraw/zinc/22/28/54/346222854.db2.gz YCFRVOJLZJEUGC-JTQLQIEISA-N 0 3 179.267 1.528 10 0 ADAEHN C[C@@H](N)c1ccnc(NC2CC2)n1 307753737 346222926 /nfs/dbraw/zinc/22/29/26/346222926.db2.gz WXJGEYCIVNZTPR-ZCFIWIBFSA-N 0 3 178.239 1.071 10 0 ADAEHN Cc1ncc([C@H](N)C2CCC2)n1C 307754074 346222977 /nfs/dbraw/zinc/22/29/77/346222977.db2.gz YCFRVOJLZJEUGC-SNVBAGLBSA-N 0 3 179.267 1.528 10 0 ADAEHN C1CS[C@]2(CC[C@H]3C[C@H]32)N1 307754651 346223462 /nfs/dbraw/zinc/22/34/62/346223462.db2.gz ZYGYQGWZHNUIBM-RNJXMRFFSA-N 0 3 155.266 1.449 10 0 ADAEHN C1CS[C@]2(CC[C@@H]3C[C@@H]32)N1 307754648 346223455 /nfs/dbraw/zinc/22/34/55/346223455.db2.gz ZYGYQGWZHNUIBM-CSMHCCOUSA-N 0 3 155.266 1.449 10 0 ADAEHN Cc1[nH]ncc1CNc1c[nH]cn1 307754461 346223818 /nfs/dbraw/zinc/22/38/18/346223818.db2.gz ZKUVBQUQKGYTEM-UHFFFAOYSA-N 0 3 177.211 1.053 10 0 ADAEHN C[C@]1(c2ccccc2F)CNCCO1 307756117 346224745 /nfs/dbraw/zinc/22/47/45/346224745.db2.gz GUSMDQAKDXTHPF-LLVKDONJSA-N 0 3 195.237 1.661 10 0 ADAEHN C[C@@]1(c2ccccc2F)CNCCO1 307756118 346224821 /nfs/dbraw/zinc/22/48/21/346224821.db2.gz GUSMDQAKDXTHPF-NSHDSACASA-N 0 3 195.237 1.661 10 0 ADAEHN C[C@@H]1CC[C@]12NCCS2 307759229 346226231 /nfs/dbraw/zinc/22/62/31/346226231.db2.gz QVMVFIXHLFMVRG-RNFRBKRXSA-N 0 3 143.255 1.449 10 0 ADAEHN C[C@H]1CC[C@@]12NCCS2 307759227 346226296 /nfs/dbraw/zinc/22/62/96/346226296.db2.gz QVMVFIXHLFMVRG-BQBZGAKWSA-N 0 3 143.255 1.449 10 0 ADAEHN CCc1cn(C2CC2)c(N)n1 307759238 346226323 /nfs/dbraw/zinc/22/63/23/346226323.db2.gz QWQHXUREDDJAQJ-UHFFFAOYSA-N 0 3 151.213 1.363 10 0 ADAEHN C[C@@H]1C[C@]2(COCCN2)[C@@H]1C 307759710 346226419 /nfs/dbraw/zinc/22/64/19/346226419.db2.gz SVKLDWFRAIFFQI-HLTSFMKQSA-N 0 3 155.241 1.021 10 0 ADAEHN C[C@H]1CC[C@]12NCCS2 307759228 346226474 /nfs/dbraw/zinc/22/64/74/346226474.db2.gz QVMVFIXHLFMVRG-NKWVEPMBSA-N 0 3 143.255 1.449 10 0 ADAEHN C[C@@H]1CC[C@@]12NCCS2 307759230 346226651 /nfs/dbraw/zinc/22/66/51/346226651.db2.gz QVMVFIXHLFMVRG-RQJHMYQMSA-N 0 3 143.255 1.449 10 0 ADAEHN C[C@H]1[C@H](C)C[C@]12COCCN2 307759713 346226910 /nfs/dbraw/zinc/22/69/10/346226910.db2.gz SVKLDWFRAIFFQI-VGMNWLOBSA-N 0 3 155.241 1.021 10 0 ADAEHN C[C@H]1[C@H](C)C[C@@]12COCCN2 307759711 346227010 /nfs/dbraw/zinc/22/70/10/346227010.db2.gz SVKLDWFRAIFFQI-HRDYMLBCSA-N 0 3 155.241 1.021 10 0 ADAEHN C[C@@H]1C[C@@]2(COCCN2)[C@@H]1C 307759712 346227284 /nfs/dbraw/zinc/22/72/84/346227284.db2.gz SVKLDWFRAIFFQI-IWSPIJDZSA-N 0 3 155.241 1.021 10 0 ADAEHN 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1.874 10 0 ADAEHN CN1CCCC[C@@H](c2cncnc2)C1 616604555 347110025 /nfs/dbraw/zinc/11/00/25/347110025.db2.gz FRDPRWCJUVLOLL-SNVBAGLBSA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CCCC[C@H](c2ccncn2)C1 616603550 347110052 /nfs/dbraw/zinc/11/00/52/347110052.db2.gz WBJLYEYIXFYIQV-JTQLQIEISA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CCCC[C@H](c2cnno2)C1 616603063 347110101 /nfs/dbraw/zinc/11/01/01/347110101.db2.gz RYNYQIHCFALPTE-QMMMGPOBSA-N 0 3 181.239 1.269 10 0 ADAEHN CCN1CCC[C@@H]1c1cnco1 616606409 347110861 /nfs/dbraw/zinc/11/08/61/347110861.db2.gz FDGOMBXOPGTVGM-MRVPVSSYSA-N 0 3 166.224 1.831 10 0 ADAEHN CN1CCCC[C@H](c2ccon2)C1 616603999 347110156 /nfs/dbraw/zinc/11/01/56/347110156.db2.gz ZAKHHKNAOFOBBC-VIFPVBQESA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCCC[C@H](c2cccnn2)C1 616602928 347110184 /nfs/dbraw/zinc/11/01/84/347110184.db2.gz QBOCQWDQBATWCL-JTQLQIEISA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CCCC[C@H](c2conn2)C1 616602981 347110245 /nfs/dbraw/zinc/11/02/45/347110245.db2.gz QYNPORPJTCRVAT-QMMMGPOBSA-N 0 3 181.239 1.269 10 0 ADAEHN CCN1CCCC[C@H](c2conn2)C1 616603649 347110343 /nfs/dbraw/zinc/11/03/43/347110343.db2.gz XWLHACGSDWRRKR-VIFPVBQESA-N 0 3 195.266 1.659 10 0 ADAEHN CN1CCCC[C@H](c2ccnnc2)C1 616602932 347110372 /nfs/dbraw/zinc/11/03/72/347110372.db2.gz QGDQTCHAVBCSMW-NSHDSACASA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CCCC[C@H](c2cnoc2)C1 616603558 347110409 /nfs/dbraw/zinc/11/04/09/347110409.db2.gz WEWNHEBLMXHNEL-VIFPVBQESA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCC[C@H]1c1cccc(N)n1 616606253 347110845 /nfs/dbraw/zinc/11/08/45/347110845.db2.gz DHCXXNNIFWTBKD-VIFPVBQESA-N 0 3 177.251 1.431 10 0 ADAEHN CCN1CCC[C@@H]1c1ccnnc1 616606294 347110876 /nfs/dbraw/zinc/11/08/76/347110876.db2.gz AARBBLYNXYYZMU-SNVBAGLBSA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@H]1c1cnco1 616606275 347110897 /nfs/dbraw/zinc/11/08/97/347110897.db2.gz FDGOMBXOPGTVGM-QMMMGPOBSA-N 0 3 166.224 1.831 10 0 ADAEHN CN1CCCC[C@@H](c2ccnnc2)C1 616605596 347110922 /nfs/dbraw/zinc/11/09/22/347110922.db2.gz QGDQTCHAVBCSMW-LLVKDONJSA-N 0 3 191.278 1.676 10 0 ADAEHN CCN1CCC[C@H]1c1cccc(N)n1 616606357 347111003 /nfs/dbraw/zinc/11/10/03/347111003.db2.gz GQOHUGHHKMYNCX-JTQLQIEISA-N 0 3 191.278 1.821 10 0 ADAEHN CC(C)N1CCC[C@@H]1c1cn[nH]n1 616606424 347111043 /nfs/dbraw/zinc/11/10/43/347111043.db2.gz FVWZCKKYGVAPRJ-SECBINFHSA-N 0 3 180.255 1.350 10 0 ADAEHN CN1CCC[C@@H]1c1cccc(N)n1 616606370 347111118 /nfs/dbraw/zinc/11/11/18/347111118.db2.gz DHCXXNNIFWTBKD-SECBINFHSA-N 0 3 177.251 1.431 10 0 ADAEHN CCN1CCC[C@H]1c1ccnnc1 616606160 347111167 /nfs/dbraw/zinc/11/11/67/347111167.db2.gz AARBBLYNXYYZMU-JTQLQIEISA-N 0 3 177.251 1.633 10 0 ADAEHN CN1CCC[C@H]1c1cnco1 616606304 347111211 /nfs/dbraw/zinc/11/12/11/347111211.db2.gz FPPKEUDCTJEJBA-ZETCQYMHSA-N 0 3 152.197 1.441 10 0 ADAEHN CCN1CCC[C@H]1c1cncnc1 616606392 347111236 /nfs/dbraw/zinc/11/12/36/347111236.db2.gz HNMYZRYXJQWSRW-JTQLQIEISA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@@H]1c1cncnc1 616606446 347111280 /nfs/dbraw/zinc/11/12/80/347111280.db2.gz HNMYZRYXJQWSRW-SNVBAGLBSA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@@H]1c1cccc(N)n1 616606435 347111373 /nfs/dbraw/zinc/11/13/73/347111373.db2.gz GQOHUGHHKMYNCX-SNVBAGLBSA-N 0 3 191.278 1.821 10 0 ADAEHN CN1CCC[C@@H]1c1cnco1 616606421 347111408 /nfs/dbraw/zinc/11/14/08/347111408.db2.gz FPPKEUDCTJEJBA-SSDOTTSWSA-N 0 3 152.197 1.441 10 0 ADAEHN FC(F)(F)O[C@@H]1CCCN1 616607165 347111844 /nfs/dbraw/zinc/11/18/44/347111844.db2.gz NLXDXKDLPPJTGU-SCSAIBSYSA-N 0 3 155.119 1.232 10 0 ADAEHN CN1CCC[C@@H]1c1c[nH]cn1 616606897 347111859 /nfs/dbraw/zinc/11/18/59/347111859.db2.gz JPYGVWHERSFPLU-MRVPVSSYSA-N 0 3 151.213 1.176 10 0 ADAEHN CN1CCC[C@@H]1c1cnc[nH]1 616606897 347111861 /nfs/dbraw/zinc/11/18/61/347111861.db2.gz JPYGVWHERSFPLU-MRVPVSSYSA-N 0 3 151.213 1.176 10 0 ADAEHN CC(C)N1CCC[C@H]1c1cn[nH]n1 616607091 347111902 /nfs/dbraw/zinc/11/19/02/347111902.db2.gz FVWZCKKYGVAPRJ-VIFPVBQESA-N 0 3 180.255 1.350 10 0 ADAEHN CN1CCC[C@@H]1c1cn[nH]c1 616606956 347111992 /nfs/dbraw/zinc/11/19/92/347111992.db2.gz MYSJIGVMMDIERV-MRVPVSSYSA-N 0 3 151.213 1.176 10 0 ADAEHN CC(C)N1CCC[C@@H]1c1nnc[nH]1 616607257 347112032 /nfs/dbraw/zinc/11/20/32/347112032.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 0 3 180.255 1.350 10 0 ADAEHN CC(C)[N@@H+]1CCC[C@@H]1c1nnc[n-]1 616607257 347112034 /nfs/dbraw/zinc/11/20/34/347112034.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 0 3 180.255 1.350 10 0 ADAEHN CC(C)[N@H+]1CCC[C@@H]1c1nnc[n-]1 616607257 347112035 /nfs/dbraw/zinc/11/20/35/347112035.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 0 3 180.255 1.350 10 0 ADAEHN CCN1CCC[C@@H]1c1cn[nH]c1 616606945 347112239 /nfs/dbraw/zinc/11/22/39/347112239.db2.gz MLTVAUAQONUMBA-SECBINFHSA-N 0 3 165.240 1.567 10 0 ADAEHN CN1CCC[C@H]1c1c[nH]cn1 616606800 347112143 /nfs/dbraw/zinc/11/21/43/347112143.db2.gz JPYGVWHERSFPLU-QMMMGPOBSA-N 0 3 151.213 1.176 10 0 ADAEHN CN1CCC[C@H]1c1cnc[nH]1 616606800 347112145 /nfs/dbraw/zinc/11/21/45/347112145.db2.gz JPYGVWHERSFPLU-QMMMGPOBSA-N 0 3 151.213 1.176 10 0 ADAEHN CN1CCC[C@H]1c1cn[nH]c1 616606955 347112150 /nfs/dbraw/zinc/11/21/50/347112150.db2.gz MYSJIGVMMDIERV-QMMMGPOBSA-N 0 3 151.213 1.176 10 0 ADAEHN FC(F)(F)O[C@H]1CCCN1 616607265 347112159 /nfs/dbraw/zinc/11/21/59/347112159.db2.gz NLXDXKDLPPJTGU-BYPYZUCNSA-N 0 3 155.119 1.232 10 0 ADAEHN CCN1CCC[C@@H]1c1ccncn1 616607047 347112231 /nfs/dbraw/zinc/11/22/31/347112231.db2.gz QJRKKBLVTREZRH-SNVBAGLBSA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@H]1c1cnoc1 616606859 347112269 /nfs/dbraw/zinc/11/22/69/347112269.db2.gz LLDNSPXAZMMHSH-VIFPVBQESA-N 0 3 166.224 1.831 10 0 ADAEHN CCN1CCC[C@@H]1c1cnoc1 616606925 347112349 /nfs/dbraw/zinc/11/23/49/347112349.db2.gz LLDNSPXAZMMHSH-SECBINFHSA-N 0 3 166.224 1.831 10 0 ADAEHN CCN1CCC[C@H]1c1cn[nH]c1 616606934 347112390 /nfs/dbraw/zinc/11/23/90/347112390.db2.gz MLTVAUAQONUMBA-VIFPVBQESA-N 0 3 165.240 1.567 10 0 ADAEHN CCN1CCC[C@H]1c1ccncn1 616607412 347113030 /nfs/dbraw/zinc/11/30/30/347113030.db2.gz QJRKKBLVTREZRH-JTQLQIEISA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@@H]1c1ccno1 616607882 347113047 /nfs/dbraw/zinc/11/30/47/347113047.db2.gz ZOKJIBRYQWMRRS-MRVPVSSYSA-N 0 3 166.224 1.831 10 0 ADAEHN CC(C)N1CCC[C@@H]1c1cnno1 616607608 347113066 /nfs/dbraw/zinc/11/30/66/347113066.db2.gz VUQKOEPTDRHDJT-MRVPVSSYSA-N 0 3 181.239 1.615 10 0 ADAEHN CCN1CCC[C@@H]1c1c[nH]cn1 616607295 347113115 /nfs/dbraw/zinc/11/31/15/347113115.db2.gz RHXDLRCAWRNEBK-SECBINFHSA-N 0 3 165.240 1.567 10 0 ADAEHN CCN1CCC[C@H]1c1c[nH]cn1 616607437 347113278 /nfs/dbraw/zinc/11/32/78/347113278.db2.gz RHXDLRCAWRNEBK-VIFPVBQESA-N 0 3 165.240 1.567 10 0 ADAEHN CC(C)(C)N1CCC[C@H]1c1nc[nH]n1 616608201 347113804 /nfs/dbraw/zinc/11/38/04/347113804.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)[N@@H+]1CCC[C@H]1c1nnc[n-]1 616608201 347113806 /nfs/dbraw/zinc/11/38/06/347113806.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)[N@H+]1CCC[C@H]1c1nnc[n-]1 616608201 347113808 /nfs/dbraw/zinc/11/38/08/347113808.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)N1CCC[C@H]1c1nnc[nH]1 616608201 347113809 /nfs/dbraw/zinc/11/38/09/347113809.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)N1CCC[C@H]1c1cn[nH]n1 616608281 347113820 /nfs/dbraw/zinc/11/38/20/347113820.db2.gz QXJYMGRHIMFEPU-VIFPVBQESA-N 0 3 194.282 1.740 10 0 ADAEHN CCN1CCC[C@H]1c1ccno1 616607966 347113899 /nfs/dbraw/zinc/11/38/99/347113899.db2.gz ZOKJIBRYQWMRRS-QMMMGPOBSA-N 0 3 166.224 1.831 10 0 ADAEHN CC(C)(C)N1CCC[C@@H]1c1nc[nH]n1 616608250 347113911 /nfs/dbraw/zinc/11/39/11/347113911.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)[N@@H+]1CCC[C@@H]1c1nnc[n-]1 616608250 347113912 /nfs/dbraw/zinc/11/39/12/347113912.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)[N@H+]1CCC[C@@H]1c1nnc[n-]1 616608250 347113913 /nfs/dbraw/zinc/11/39/13/347113913.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)N1CCC[C@@H]1c1nnc[nH]1 616608250 347113914 /nfs/dbraw/zinc/11/39/14/347113914.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)(C)N1CCC[C@@H]1c1cn[nH]n1 616608358 347114021 /nfs/dbraw/zinc/11/40/21/347114021.db2.gz QXJYMGRHIMFEPU-SECBINFHSA-N 0 3 194.282 1.740 10 0 ADAEHN CN1CCC[C@@H](c2ccon2)CC1 616609553 347114078 /nfs/dbraw/zinc/11/40/78/347114078.db2.gz BGRGIBXGANNDPL-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CC(C)N1CCC[C@H]1c1nnc[nH]1 616608262 347114098 /nfs/dbraw/zinc/11/40/98/347114098.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 0 3 180.255 1.350 10 0 ADAEHN CC(C)[N@@H+]1CCC[C@H]1c1nnc[n-]1 616608262 347114099 /nfs/dbraw/zinc/11/40/99/347114099.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 0 3 180.255 1.350 10 0 ADAEHN CC(C)[N@H+]1CCC[C@H]1c1nnc[n-]1 616608262 347114103 /nfs/dbraw/zinc/11/41/03/347114103.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 0 3 180.255 1.350 10 0 ADAEHN CN1CC[C@H](C(F)F)C1 616609799 347114632 /nfs/dbraw/zinc/11/46/32/347114632.db2.gz BWWOXGWWCCWAKU-YFKPBYRVSA-N 0 3 135.157 1.203 10 0 ADAEHN CN1CC[C@H](c2ncco2)C1 616610181 347114650 /nfs/dbraw/zinc/11/46/50/347114650.db2.gz IMCOLGAMWZFERG-ZETCQYMHSA-N 0 3 152.197 1.094 10 0 ADAEHN CN1CCC[C@@H](c2cnoc2)CC1 616610501 347114787 /nfs/dbraw/zinc/11/47/87/347114787.db2.gz KYVCGQIBLYPXEW-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCC[C@@H](c2ncccn2)CC1 616609660 347114848 /nfs/dbraw/zinc/11/48/48/347114848.db2.gz FSJHAFLACFHERI-SNVBAGLBSA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CC[C@H](c2cccnc2N)C1 616609803 347114872 /nfs/dbraw/zinc/11/48/72/347114872.db2.gz BZAJMRKXLUOOQZ-QMMMGPOBSA-N 0 3 177.251 1.083 10 0 ADAEHN CN1CC[C@H](c2cnoc2)C1 616610216 347114878 /nfs/dbraw/zinc/11/48/78/347114878.db2.gz KZSWHXXLCMQFRI-ZETCQYMHSA-N 0 3 152.197 1.094 10 0 ADAEHN CN1CC[C@H](c2cocn2)C1 616610205 347115033 /nfs/dbraw/zinc/11/50/33/347115033.db2.gz KRTASSAHEXNDGN-ZETCQYMHSA-N 0 3 152.197 1.094 10 0 ADAEHN CN1CC[C@H](c2cnco2)C1 616610723 347115512 /nfs/dbraw/zinc/11/55/12/347115512.db2.gz VJKAKLQRFRRFOI-ZETCQYMHSA-N 0 3 152.197 1.094 10 0 ADAEHN CN1CCC[C@@H](c2ncco2)CC1 616611431 347116015 /nfs/dbraw/zinc/11/60/15/347116015.db2.gz QRGPPYAEOXFDTK-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCC[C@@H](c2conn2)CC1 616611426 347116232 /nfs/dbraw/zinc/11/62/32/347116232.db2.gz QOJJOVOWVFKZSV-MRVPVSSYSA-N 0 3 181.239 1.269 10 0 ADAEHN CN1CCC[C@@H](c2ccno2)CC1 616611421 347116407 /nfs/dbraw/zinc/11/64/07/347116407.db2.gz QJFVBRPNTQEJSS-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CCN1CCC[C@@H](c2conn2)CC1 616611348 347116595 /nfs/dbraw/zinc/11/65/95/347116595.db2.gz OUIVGZUOVZOIKB-SECBINFHSA-N 0 3 195.266 1.659 10 0 ADAEHN CCN1CC[C@H](c2cnco2)C1 616612936 347116905 /nfs/dbraw/zinc/11/69/05/347116905.db2.gz BPSVHSIUMVEQTR-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CC[C@@H](c2cocn2)C1 616612533 347117007 /nfs/dbraw/zinc/11/70/07/347117007.db2.gz FEDPMHBMQJZBKE-MRVPVSSYSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CC[C@@H](c2ncco2)C1 616612771 347117155 /nfs/dbraw/zinc/11/71/55/347117155.db2.gz IMCOLGAMWZFERG-SSDOTTSWSA-N 0 3 152.197 1.094 10 0 ADAEHN CC(C)(C)N1CC[C@H](c2conn2)C1 616612928 347117315 /nfs/dbraw/zinc/11/73/15/347117315.db2.gz AZTUGIFXPCEIPD-QMMMGPOBSA-N 0 3 195.266 1.657 10 0 ADAEHN CN1CCC[C@@H](c2cocn2)CC1 616612410 347117466 /nfs/dbraw/zinc/11/74/66/347117466.db2.gz UMAXFSRCNXKKOQ-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CCN1CC[C@@H](c2cnco2)C1 616612326 347117552 /nfs/dbraw/zinc/11/75/52/347117552.db2.gz BPSVHSIUMVEQTR-MRVPVSSYSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CC[C@@H](c2cccnc2N)C1 616612373 347117581 /nfs/dbraw/zinc/11/75/81/347117581.db2.gz BZAJMRKXLUOOQZ-MRVPVSSYSA-N 0 3 177.251 1.083 10 0 ADAEHN CCN1CC[C@@H](c2ccncn2)C1 616612744 347117692 /nfs/dbraw/zinc/11/76/92/347117692.db2.gz IEXCNTQHYOKTHN-SECBINFHSA-N 0 3 177.251 1.286 10 0 ADAEHN CCN1CC[C@@H](c2ncccn2)C1 616613515 347117924 /nfs/dbraw/zinc/11/79/24/347117924.db2.gz UGAPIOQUMIAFFO-SECBINFHSA-N 0 3 177.251 1.286 10 0 ADAEHN CN1CC[C@@H](c2cnoc2)C1 616613090 347117962 /nfs/dbraw/zinc/11/79/62/347117962.db2.gz KZSWHXXLCMQFRI-SSDOTTSWSA-N 0 3 152.197 1.094 10 0 ADAEHN CCN1CC[C@H](c2ccno2)C1 616613420 347117976 /nfs/dbraw/zinc/11/79/76/347117976.db2.gz JLSFBELHRNEAJV-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CC[C@H](c2ccon2)C1 616613618 347118001 /nfs/dbraw/zinc/11/80/01/347118001.db2.gz NHELDXSSQWIYOC-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CC[C@H](c2cnoc2)C1 616613627 347118020 /nfs/dbraw/zinc/11/80/20/347118020.db2.gz NSJIWMAZSWMNLY-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CCCC[C@@H]1c1cnc[nH]1 616613312 347118119 /nfs/dbraw/zinc/11/81/19/347118119.db2.gz VEJGZDUQGPZLLG-SECBINFHSA-N 0 3 165.240 1.567 10 0 ADAEHN CCN1CC[C@H](c2ccncn2)C1 616613401 347118092 /nfs/dbraw/zinc/11/80/92/347118092.db2.gz IEXCNTQHYOKTHN-VIFPVBQESA-N 0 3 177.251 1.286 10 0 ADAEHN CC(C)N1CC[C@H](c2cnoc2)C1 616613626 347118209 /nfs/dbraw/zinc/11/82/09/347118209.db2.gz NRWCTGPQFQXARX-VIFPVBQESA-N 0 3 180.251 1.872 10 0 ADAEHN CCN1CC[C@@H](c2cccc(N)n2)C1 616613231 347118253 /nfs/dbraw/zinc/11/82/53/347118253.db2.gz QSGKNUCFEFFPPX-SECBINFHSA-N 0 3 191.278 1.473 10 0 ADAEHN CCN1CC[C@@H](c2cncnc2)C1 616613595 347118288 /nfs/dbraw/zinc/11/82/88/347118288.db2.gz ZAUNEZQGSLLLMV-SECBINFHSA-N 0 3 177.251 1.286 10 0 ADAEHN CCN1CC[C@@H](c2ccno2)C1 616613039 347118513 /nfs/dbraw/zinc/11/85/13/347118513.db2.gz JLSFBELHRNEAJV-MRVPVSSYSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CC[C@@H](c2cocn2)C1 616613074 347118641 /nfs/dbraw/zinc/11/86/41/347118641.db2.gz KRTASSAHEXNDGN-SSDOTTSWSA-N 0 3 152.197 1.094 10 0 ADAEHN CN1CC[C@@H](c2cnco2)C1 616613536 347118676 /nfs/dbraw/zinc/11/86/76/347118676.db2.gz VJKAKLQRFRRFOI-SSDOTTSWSA-N 0 3 152.197 1.094 10 0 ADAEHN CCN1CC[C@@H](c2ccnnc2)C1 616613054 347118687 /nfs/dbraw/zinc/11/86/87/347118687.db2.gz JSGNDEKPCOAGSL-SNVBAGLBSA-N 0 3 177.251 1.286 10 0 ADAEHN CCN1CC[C@H](c2cocn2)C1 616612976 347118711 /nfs/dbraw/zinc/11/87/11/347118711.db2.gz FEDPMHBMQJZBKE-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CC[C@@H](c2ncco2)C1 616613478 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CC(C)N1CC[C@H](c2ccncn2)C1 616613752 347119522 /nfs/dbraw/zinc/11/95/22/347119522.db2.gz PCXKRTZPMQUVKX-JTQLQIEISA-N 0 3 191.278 1.674 10 0 ADAEHN CC(C)N1CC[C@H](c2conn2)C1 616613766 347119540 /nfs/dbraw/zinc/11/95/40/347119540.db2.gz PSZOZQKBSSATET-QMMMGPOBSA-N 0 3 181.239 1.267 10 0 ADAEHN CCN1CCCC[C@@H]1c1c[nH]cn1 616613825 347119569 /nfs/dbraw/zinc/11/95/69/347119569.db2.gz BPIPVNBEYWBPSC-SNVBAGLBSA-N 0 3 179.267 1.957 10 0 ADAEHN CCN1CCCC[C@@H]1c1cnc[nH]1 616613825 347119570 /nfs/dbraw/zinc/11/95/70/347119570.db2.gz BPIPVNBEYWBPSC-SNVBAGLBSA-N 0 3 179.267 1.957 10 0 ADAEHN CC(C)N1CC[C@H](c2cocn2)C1 616613997 347119618 /nfs/dbraw/zinc/11/96/18/347119618.db2.gz YVIGVXGYQUPGEY-VIFPVBQESA-N 0 3 180.251 1.872 10 0 ADAEHN CCN1CC[C@H](c2ncccn2)C1 616613881 347119623 /nfs/dbraw/zinc/11/96/23/347119623.db2.gz UGAPIOQUMIAFFO-VIFPVBQESA-N 0 3 177.251 1.286 10 0 ADAEHN CC(C)(C)N1CC[C@@H](c2conn2)C1 616614058 347119838 /nfs/dbraw/zinc/11/98/38/347119838.db2.gz AZTUGIFXPCEIPD-MRVPVSSYSA-N 0 3 195.266 1.657 10 0 ADAEHN CCN1CC[C@H](c2cccc(N)n2)C1 616613792 347119864 /nfs/dbraw/zinc/11/98/64/347119864.db2.gz QSGKNUCFEFFPPX-VIFPVBQESA-N 0 3 191.278 1.473 10 0 ADAEHN CCN1CC[C@H](c2ncco2)C1 616613822 347119942 /nfs/dbraw/zinc/11/99/42/347119942.db2.gz RRGONPNRPSWRRV-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CCCC[C@@H]1c1c[nH]nn1 616614174 347119971 /nfs/dbraw/zinc/11/99/71/347119971.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 0 3 180.255 1.352 10 0 ADAEHN CC(C)N1CC[C@@H](c2ccncn2)C1 616614555 347120498 /nfs/dbraw/zinc/12/04/98/347120498.db2.gz PCXKRTZPMQUVKX-SNVBAGLBSA-N 0 3 191.278 1.674 10 0 ADAEHN CC(C)N1CCCC[C@@H]1c1nnc[nH]1 616614477 347120639 /nfs/dbraw/zinc/12/06/39/347120639.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)N1CC[C@@H](c2ccon2)C1 616614348 347120754 /nfs/dbraw/zinc/12/07/54/347120754.db2.gz KBBPOZAEESCHMV-SECBINFHSA-N 0 3 180.251 1.872 10 0 ADAEHN CO[C@H]1CCCCN1C(C)C 616614461 347120763 /nfs/dbraw/zinc/12/07/63/347120763.db2.gz PFVZFIXUXVNTMD-VIFPVBQESA-N 0 3 157.257 1.853 10 0 ADAEHN CC(C)N1CC[C@@H](c2conn2)C1 616614571 347120841 /nfs/dbraw/zinc/12/08/41/347120841.db2.gz PSZOZQKBSSATET-MRVPVSSYSA-N 0 3 181.239 1.267 10 0 ADAEHN CC(C)N1CC[C@@H](c2cnoc2)C1 616614418 347120854 /nfs/dbraw/zinc/12/08/54/347120854.db2.gz NRWCTGPQFQXARX-SECBINFHSA-N 0 3 180.251 1.872 10 0 ADAEHN CN1CCCC[C@H]1c1cnc[nH]1 616615841 347121596 /nfs/dbraw/zinc/12/15/96/347121596.db2.gz VEJGZDUQGPZLLG-VIFPVBQESA-N 0 3 165.240 1.567 10 0 ADAEHN CC(C)N1CCCC[C@H]1c1nnc[nH]1 616615745 347121724 /nfs/dbraw/zinc/12/17/24/347121724.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 0 3 194.282 1.740 10 0 ADAEHN CC(C)N1CC[C@@H](c2cocn2)C1 616614873 347121930 /nfs/dbraw/zinc/12/19/30/347121930.db2.gz YVIGVXGYQUPGEY-SECBINFHSA-N 0 3 180.251 1.872 10 0 ADAEHN CCN1CCCC[C@H]1c1c[nH]cn1 616615084 347121945 /nfs/dbraw/zinc/12/19/45/347121945.db2.gz BPIPVNBEYWBPSC-JTQLQIEISA-N 0 3 179.267 1.957 10 0 ADAEHN CCN1CCCC[C@H]1c1cnc[nH]1 616615084 347121947 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616617052 347122834 /nfs/dbraw/zinc/12/28/34/347122834.db2.gz DJMXUTVPVDQHJW-JTQLQIEISA-N 0 3 191.278 1.676 10 0 ADAEHN CCN1CCC[C@H](c2ncco2)C1 616616991 347122845 /nfs/dbraw/zinc/12/28/45/347122845.db2.gz AAKFHZKOMJKEOR-VIFPVBQESA-N 0 3 180.251 1.874 10 0 ADAEHN CC(C)N1CCC[C@@H](c2cnno2)C1 616617064 347122868 /nfs/dbraw/zinc/12/28/68/347122868.db2.gz HKVKPNIZJOYVQE-SECBINFHSA-N 0 3 195.266 1.657 10 0 ADAEHN CN1CCC[C@H](c2cccnc2N)C1 616617039 347122922 /nfs/dbraw/zinc/12/29/22/347122922.db2.gz CJJMUOFSWZFKFP-VIFPVBQESA-N 0 3 191.278 1.473 10 0 ADAEHN CN1CCC[C@@H](c2cnoc2)C1 616617057 347123173 /nfs/dbraw/zinc/12/31/73/347123173.db2.gz HDTLBVWYDQUOIC-MRVPVSSYSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CCC[C@@H](c2ncco2)C1 616616940 347123233 /nfs/dbraw/zinc/12/32/33/347123233.db2.gz AAKFHZKOMJKEOR-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CCN1CCC[C@@H](c2ccno2)C1 616616939 347123251 /nfs/dbraw/zinc/12/32/51/347123251.db2.gz AACIEKUKNTYNAI-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN 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0 3 180.251 1.874 10 0 ADAEHN CCN1CCC[C@@H](c2cn[nH]n2)C1 616617161 347124063 /nfs/dbraw/zinc/12/40/63/347124063.db2.gz KJYGGUCKKHFJQN-MRVPVSSYSA-N 0 3 180.255 1.004 10 0 ADAEHN CN1CCC[C@@H](c2c[nH]cn2)C1 616617423 347124071 /nfs/dbraw/zinc/12/40/71/347124071.db2.gz WURWILKPZYXBBR-MRVPVSSYSA-N 0 3 165.240 1.219 10 0 ADAEHN CCN1CCC[C@@H](c2ccon2)C1 616617420 347124115 /nfs/dbraw/zinc/12/41/15/347124115.db2.gz WIQGDZVEWUSKDP-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCC[C@H](c2cnco2)C1 616617102 347124126 /nfs/dbraw/zinc/12/41/26/347124126.db2.gz GPMSWZQMXDKYLV-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CCC[C@H](c2ccncc2)C1 616617311 347124133 /nfs/dbraw/zinc/12/41/33/347124133.db2.gz NRMYFXUYBRZOSL-NSHDSACASA-N 0 3 176.263 1.891 10 0 ADAEHN CN1CCC[C@@H](c2cccc(N)n2)C1 616617276 347124140 /nfs/dbraw/zinc/12/41/40/347124140.db2.gz QZMPRNYDMVODGT-SECBINFHSA-N 0 3 191.278 1.473 10 0 ADAEHN CCN1CCC[C@@H](c2cocn2)C1 616617352 347124148 /nfs/dbraw/zinc/12/41/48/347124148.db2.gz SONCAVYWLRTSHT-SECBINFHSA-N 0 3 180.251 1.874 10 0 ADAEHN CCN1CCC[C@H](c2cnoc2)C1 616617269 347124162 /nfs/dbraw/zinc/12/41/62/347124162.db2.gz LFSTUJJZNZCLPB-VIFPVBQESA-N 0 3 180.251 1.874 10 0 ADAEHN CN1CCC[C@H](c2cnoc2)C1 616617114 347124168 /nfs/dbraw/zinc/12/41/68/347124168.db2.gz HDTLBVWYDQUOIC-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CN1CCC[C@H](c2cccnc2)C1 616617620 347124202 /nfs/dbraw/zinc/12/42/02/347124202.db2.gz XQFFNTPXCWCDQJ-NSHDSACASA-N 0 3 176.263 1.891 10 0 ADAEHN CCN1CCC[C@H](c2ccnnc2)C1 616617317 347124210 /nfs/dbraw/zinc/12/42/10/347124210.db2.gz ODXXQMCBJLTLPQ-NSHDSACASA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CCC[C@@H](n2cccn2)C1 616617347 347124232 /nfs/dbraw/zinc/12/42/32/347124232.db2.gz SJFLVUCSRJUTSX-SECBINFHSA-N 0 3 165.240 1.150 10 0 ADAEHN CCN1CCC[C@H](c2cnno2)C1 616617631 347124269 /nfs/dbraw/zinc/12/42/69/347124269.db2.gz YRFYMEYPKVZHAP-QMMMGPOBSA-N 0 3 181.239 1.269 10 0 ADAEHN CCN1CCC[C@@H](c2cnco2)C1 616617469 347124282 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ADAEHN CN[C@H](C)c1ccnn1C(C)C 258565420 351864235 /nfs/dbraw/zinc/86/42/35/351864235.db2.gz RAOHQMSLBRNSGZ-MRVPVSSYSA-N 0 3 167.256 1.744 10 0 ADAEHN NCc1cnoc1C1CCC1 258627477 351864806 /nfs/dbraw/zinc/86/48/06/351864806.db2.gz XFXORFPEKSMNHZ-UHFFFAOYSA-N 0 3 152.197 1.401 10 0 ADAEHN C[C@@H](N)[C@](C)(F)C(F)(F)F 258641194 351865617 /nfs/dbraw/zinc/86/56/17/351865617.db2.gz YTLKZIXVHCHVQF-DMTCNVIQSA-N 0 3 159.126 1.624 10 0 ADAEHN C[C@H](N)[C@](C)(F)C(F)(F)F 258641199 351865637 /nfs/dbraw/zinc/86/56/37/351865637.db2.gz YTLKZIXVHCHVQF-IMJSIDKUSA-N 0 3 159.126 1.624 10 0 ADAEHN C[C@H](N)[C@@](C)(F)C(F)(F)F 258641201 351865732 /nfs/dbraw/zinc/86/57/32/351865732.db2.gz YTLKZIXVHCHVQF-IUYQGCFVSA-N 0 3 159.126 1.624 10 0 ADAEHN C[C@@H](N)[C@@](C)(F)C(F)(F)F 258641205 351865748 /nfs/dbraw/zinc/86/57/48/351865748.db2.gz YTLKZIXVHCHVQF-QWWZWVQMSA-N 0 3 159.126 1.624 10 0 ADAEHN CCCNc1ncc(CN)s1 258895120 351868062 /nfs/dbraw/zinc/86/80/62/351868062.db2.gz FWRBKYDKGBMCGD-UHFFFAOYSA-N 0 3 171.269 1.424 10 0 ADAEHN NCc1cnc(NC2CC2)s1 258949975 351868090 /nfs/dbraw/zinc/86/80/90/351868090.db2.gz LKWNVBUIRZXRAE-UHFFFAOYSA-N 0 3 169.253 1.176 10 0 ADAEHN CC(C)(C)Nc1ncc(CN)s1 258906394 351868125 /nfs/dbraw/zinc/86/81/25/351868125.db2.gz GZYANKHGGTVPIJ-UHFFFAOYSA-N 0 3 185.296 1.812 10 0 ADAEHN CCNc1ncc(CN)s1 258901413 351868205 /nfs/dbraw/zinc/86/82/05/351868205.db2.gz GOKKHNGLRVKIPC-UHFFFAOYSA-N 0 3 157.242 1.034 10 0 ADAEHN CC(C)Nc1ncc(CN)s1 259034180 351868999 /nfs/dbraw/zinc/86/89/99/351868999.db2.gz UBYOBJSAFGSAGE-UHFFFAOYSA-N 0 3 171.269 1.422 10 0 ADAEHN Cc1ccc(C2(N)COC2)cc1C 259068452 351869035 /nfs/dbraw/zinc/86/90/35/351869035.db2.gz BZAWFZOWBNQJCG-UHFFFAOYSA-N 0 3 177.247 1.488 10 0 ADAEHN CC1(C)CC(NC2COC2)C1 259054649 351869062 /nfs/dbraw/zinc/86/90/62/351869062.db2.gz BCNPOTFYZXXBNN-UHFFFAOYSA-N 0 3 155.241 1.163 10 0 ADAEHN Cc1cc(C2CCN(C)CC2)n[nH]1 259010270 351869179 /nfs/dbraw/zinc/86/91/79/351869179.db2.gz HPTQDFYINCZOIO-UHFFFAOYSA-N 0 3 179.267 1.527 10 0 ADAEHN Cc1cc(C2CCN(C)CC2)[nH]n1 259010270 351869180 /nfs/dbraw/zinc/86/91/80/351869180.db2.gz HPTQDFYINCZOIO-UHFFFAOYSA-N 0 3 179.267 1.527 10 0 ADAEHN CCN(C)Cc1cc[nH]c1 259102331 351869736 /nfs/dbraw/zinc/86/97/36/351869736.db2.gz OILZHCVXQFYTDE-UHFFFAOYSA-N 0 3 138.214 1.466 10 0 ADAEHN CC1(C)CNC(=O)CN1C1CCCC1 259099160 351869851 /nfs/dbraw/zinc/86/98/51/351869851.db2.gz AHLGNWVNWUBIFJ-UHFFFAOYSA-N 0 3 196.294 1.139 10 0 ADAEHN CSC[C@H](N)c1ccc[nH]1 259149489 351870079 /nfs/dbraw/zinc/87/00/79/351870079.db2.gz MWEMSOUKFZPWBP-LURJTMIESA-N 0 3 156.254 1.378 10 0 ADAEHN CN1CCC(c2ccno2)CC1 259181777 351870243 /nfs/dbraw/zinc/87/02/43/351870243.db2.gz JZMKNLHTKVPPRL-UHFFFAOYSA-N 0 3 166.224 1.484 10 0 ADAEHN CSC[C@@H](N)c1ccc[nH]1 259149491 351870468 /nfs/dbraw/zinc/87/04/68/351870468.db2.gz MWEMSOUKFZPWBP-ZCFIWIBFSA-N 0 3 156.254 1.378 10 0 ADAEHN CCN1CCC[C@H](c2cc(N)n[nH]2)C1 259235487 351870925 /nfs/dbraw/zinc/87/09/25/351870925.db2.gz MVIPNXLVTWQWGZ-QMMMGPOBSA-N 0 3 194.282 1.191 10 0 ADAEHN CNC(=N)c1ccc(Cl)s1 259194406 351871070 /nfs/dbraw/zinc/87/10/70/351871070.db2.gz MULAQYCZMDHYGP-UHFFFAOYSA-N 0 3 174.656 1.946 10 0 ADAEHN COc1ccncc1C1(N)CCC1 259226615 351871168 /nfs/dbraw/zinc/87/11/68/351871168.db2.gz KCKZOTOAVOCYLF-UHFFFAOYSA-N 0 3 178.235 1.428 10 0 ADAEHN CCN1CCC[C@@H](c2cc(N)n[nH]2)C1 259235481 351871231 /nfs/dbraw/zinc/87/12/31/351871231.db2.gz MVIPNXLVTWQWGZ-MRVPVSSYSA-N 0 3 194.282 1.191 10 0 ADAEHN CNC(C)(C)C(=O)c1ccc[nH]1 259209265 351871286 /nfs/dbraw/zinc/87/12/86/351871286.db2.gz PDVNFBMSGVZWGD-UHFFFAOYSA-N 0 3 166.224 1.195 10 0 ADAEHN CC1(C)C(=O)NCCN1C1CCCC1 259200840 351871442 /nfs/dbraw/zinc/87/14/42/351871442.db2.gz IWSVZBVMMUAJLD-UHFFFAOYSA-N 0 3 196.294 1.139 10 0 ADAEHN CC(C)(O)CN1CCC(F)(F)CC1 259273393 351872207 /nfs/dbraw/zinc/87/22/07/351872207.db2.gz BGNVHRAENFLYSQ-UHFFFAOYSA-N 0 3 193.237 1.488 10 0 ADAEHN Cc1cc(C2(N)COC2)ccc1F 259338229 351872448 /nfs/dbraw/zinc/87/24/48/351872448.db2.gz SOXNLTXNVRUGJZ-UHFFFAOYSA-N 0 3 181.210 1.318 10 0 ADAEHN CCN1CCC[C@H](c2cccnn2)C1 259310072 351872467 /nfs/dbraw/zinc/87/24/67/351872467.db2.gz DBHXQHOWOYFBPU-JTQLQIEISA-N 0 3 191.278 1.676 10 0 ADAEHN CC(C)N1CCC[C@H]1c1cc(N)n[nH]1 259300752 351872595 /nfs/dbraw/zinc/87/25/95/351872595.db2.gz QQZOAKMHWJRJPK-VIFPVBQESA-N 0 3 194.282 1.537 10 0 ADAEHN CN1CCC[C@@H](c2ccno2)C1 259318707 351872610 /nfs/dbraw/zinc/87/26/10/351872610.db2.gz RQGNFPAKCBABKO-MRVPVSSYSA-N 0 3 166.224 1.484 10 0 ADAEHN C[N@@H+]1CC[C@H](c2nc([O-])cs2)C1 259288220 351872655 /nfs/dbraw/zinc/87/26/55/351872655.db2.gz MKGFGLVWRBCFJG-LURJTMIESA-N 0 3 184.264 1.268 10 0 ADAEHN C[N@H+]1CC[C@H](c2nc([O-])cs2)C1 259288220 351872656 /nfs/dbraw/zinc/87/26/56/351872656.db2.gz MKGFGLVWRBCFJG-LURJTMIESA-N 0 3 184.264 1.268 10 0 ADAEHN CN1CC[C@H](C2=NC(=O)CS2)C1 259288220 351872658 /nfs/dbraw/zinc/87/26/58/351872658.db2.gz MKGFGLVWRBCFJG-LURJTMIESA-N 0 3 184.264 1.268 10 0 ADAEHN CN1CCC[C@@H](c2cccnn2)C1 259288480 351872665 /nfs/dbraw/zinc/87/26/65/351872665.db2.gz BWTDKRZMTQLICO-SECBINFHSA-N 0 3 177.251 1.286 10 0 ADAEHN C[N@@H+]1CC[C@@H](c2nc([O-])cs2)C1 259288226 351872706 /nfs/dbraw/zinc/87/27/06/351872706.db2.gz MKGFGLVWRBCFJG-ZCFIWIBFSA-N 0 3 184.264 1.268 10 0 ADAEHN C[N@H+]1CC[C@@H](c2nc([O-])cs2)C1 259288226 351872708 /nfs/dbraw/zinc/87/27/08/351872708.db2.gz MKGFGLVWRBCFJG-ZCFIWIBFSA-N 0 3 184.264 1.268 10 0 ADAEHN CN1CC[C@@H](C2=NC(=O)CS2)C1 259288226 351872711 /nfs/dbraw/zinc/87/27/11/351872711.db2.gz MKGFGLVWRBCFJG-ZCFIWIBFSA-N 0 3 184.264 1.268 10 0 ADAEHN CN1CCC[C@H](c2cccnn2)C1 259288486 351872774 /nfs/dbraw/zinc/87/27/74/351872774.db2.gz BWTDKRZMTQLICO-VIFPVBQESA-N 0 3 177.251 1.286 10 0 ADAEHN CCN1CCC[C@@H](c2cccnn2)C1 259310075 351872787 /nfs/dbraw/zinc/87/27/87/351872787.db2.gz DBHXQHOWOYFBPU-SNVBAGLBSA-N 0 3 191.278 1.676 10 0 ADAEHN CN1CC[C@@H](c2nc(N)cs2)C1 259341944 351872832 /nfs/dbraw/zinc/87/28/32/351872832.db2.gz PFLJNWLWFASONM-ZCFIWIBFSA-N 0 3 183.280 1.144 10 0 ADAEHN CN1CC[C@H](c2nc(N)cs2)C1 259341935 351872839 /nfs/dbraw/zinc/87/28/39/351872839.db2.gz PFLJNWLWFASONM-LURJTMIESA-N 0 3 183.280 1.144 10 0 ADAEHN CN1CCC[C@H](c2ccno2)C1 259318714 351872911 /nfs/dbraw/zinc/87/29/11/351872911.db2.gz RQGNFPAKCBABKO-QMMMGPOBSA-N 0 3 166.224 1.484 10 0 ADAEHN CCN1CCC[C@@H]1c1cc(N)n[nH]1 259290791 351872942 /nfs/dbraw/zinc/87/29/42/351872942.db2.gz QDSFHJOEHCUIRS-MRVPVSSYSA-N 0 3 180.255 1.149 10 0 ADAEHN CC(C)N1CCC[C@@H]1c1cc(N)n[nH]1 259300741 351872967 /nfs/dbraw/zinc/87/29/67/351872967.db2.gz QQZOAKMHWJRJPK-SECBINFHSA-N 0 3 194.282 1.537 10 0 ADAEHN CCN1CCC[C@H]1c1cc(N)n[nH]1 259290798 351873013 /nfs/dbraw/zinc/87/30/13/351873013.db2.gz QDSFHJOEHCUIRS-QMMMGPOBSA-N 0 3 180.255 1.149 10 0 ADAEHN CCN1CCC(c2cc(N)n[nH]2)CC1 259419446 351874258 /nfs/dbraw/zinc/87/42/58/351874258.db2.gz YIECHUWJJHAQKK-UHFFFAOYSA-N 0 3 194.282 1.191 10 0 ADAEHN CCN1CCC[C@@H]1c1cccnn1 259405455 351874299 /nfs/dbraw/zinc/87/42/99/351874299.db2.gz JKIAADAYUCZPIP-SNVBAGLBSA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC(c2cccnn2)CC1 259447975 351874383 /nfs/dbraw/zinc/87/43/83/351874383.db2.gz MGUNQPRRKUNSEE-UHFFFAOYSA-N 0 3 191.278 1.676 10 0 ADAEHN CSc1ccc(C2(N)COC2)cc1 259425357 351874440 /nfs/dbraw/zinc/87/44/40/351874440.db2.gz ZDHIDYDFQKZXAM-UHFFFAOYSA-N 0 3 195.287 1.593 10 0 ADAEHN CCN1CCC[C@H]1c1cccnn1 259405452 351874552 /nfs/dbraw/zinc/87/45/52/351874552.db2.gz JKIAADAYUCZPIP-JTQLQIEISA-N 0 3 177.251 1.633 10 0 ADAEHN CCN1CCC[C@H]1c1ccc(=O)[nH]n1 259552562 351875809 /nfs/dbraw/zinc/87/58/09/351875809.db2.gz VVSZSLJIAMRMMD-VIFPVBQESA-N 0 3 193.250 1.339 10 0 ADAEHN C1CSCC[C@H](NC2COC2)C1 259531061 351875817 /nfs/dbraw/zinc/87/58/17/351875817.db2.gz BEENZQNJQGCMKU-MRVPVSSYSA-N 0 3 187.308 1.261 10 0 ADAEHN C1CSCC[C@@H](NC2COC2)C1 259532937 351875947 /nfs/dbraw/zinc/87/59/47/351875947.db2.gz BEENZQNJQGCMKU-QMMMGPOBSA-N 0 3 187.308 1.261 10 0 ADAEHN CCN1CCC[C@@H]1c1ccc(=O)[nH]n1 259552559 351876358 /nfs/dbraw/zinc/87/63/58/351876358.db2.gz VVSZSLJIAMRMMD-SECBINFHSA-N 0 3 193.250 1.339 10 0 ADAEHN CN1CCc2ccccc2[C@@H]1CO 259600838 351876733 /nfs/dbraw/zinc/87/67/33/351876733.db2.gz VHQBPVFGAGPVMF-NSHDSACASA-N 0 3 177.247 1.208 10 0 ADAEHN CN1CCc2ccccc2[C@H]1CO 259600833 351876595 /nfs/dbraw/zinc/87/65/95/351876595.db2.gz VHQBPVFGAGPVMF-LLVKDONJSA-N 0 3 177.247 1.208 10 0 ADAEHN CCN1CC[C@@H](c2cccnn2)C1 259562602 351876702 /nfs/dbraw/zinc/87/67/02/351876702.db2.gz XDNXMRQRCMYRMA-SECBINFHSA-N 0 3 177.251 1.286 10 0 ADAEHN CN1CCC[C@@H]1c1cccnn1 259564617 351876812 /nfs/dbraw/zinc/87/68/12/351876812.db2.gz WXMPUCXUMGJYAU-SECBINFHSA-N 0 3 163.224 1.243 10 0 ADAEHN CCN1CC[C@H](c2cccnn2)C1 259562605 351876864 /nfs/dbraw/zinc/87/68/64/351876864.db2.gz XDNXMRQRCMYRMA-VIFPVBQESA-N 0 3 177.251 1.286 10 0 ADAEHN CC1(c2nc(CN)c[nH]2)CCCC1 259609601 351877029 /nfs/dbraw/zinc/87/70/29/351877029.db2.gz DOYUUUDNVWVPFI-UHFFFAOYSA-N 0 3 179.267 1.700 10 0 ADAEHN CN1CCC[C@H]1c1cccnn1 259564620 351877065 /nfs/dbraw/zinc/87/70/65/351877065.db2.gz WXMPUCXUMGJYAU-VIFPVBQESA-N 0 3 163.224 1.243 10 0 ADAEHN NCc1c[nH]c([C@H]2CCCCO2)n1 259664060 351877562 /nfs/dbraw/zinc/87/75/62/351877562.db2.gz IBGGDYGKPGAGSN-MRVPVSSYSA-N 0 3 181.239 1.110 10 0 ADAEHN NCc1c[nH]c([C@@H]2CCCCO2)n1 259664065 351877721 /nfs/dbraw/zinc/87/77/21/351877721.db2.gz IBGGDYGKPGAGSN-QMMMGPOBSA-N 0 3 181.239 1.110 10 0 ADAEHN NCc1c[nH]c([C@H]2CCSC2)n1 259702273 351877969 /nfs/dbraw/zinc/87/79/69/351877969.db2.gz KIRZYTPMVGAFBU-LURJTMIESA-N 0 3 183.280 1.089 10 0 ADAEHN NCc1c[nH]c([C@@H]2CCSC2)n1 259702284 351878006 /nfs/dbraw/zinc/87/80/06/351878006.db2.gz KIRZYTPMVGAFBU-ZCFIWIBFSA-N 0 3 183.280 1.089 10 0 ADAEHN CC(C)(C)Nc1ncc(CN)cn1 259686513 351878233 /nfs/dbraw/zinc/87/82/33/351878233.db2.gz JNJASJAZNZSOMH-UHFFFAOYSA-N 0 3 180.255 1.146 10 0 ADAEHN COC(=O)[C@@H]1CCCCCN1C(C)C 259738512 351878621 /nfs/dbraw/zinc/87/86/21/351878621.db2.gz OLKJQIBSRBMUBW-JTQLQIEISA-N 0 3 199.294 1.812 10 0 ADAEHN COC(=O)[C@H]1CCCCCN1C(C)C 259738516 351878871 /nfs/dbraw/zinc/87/88/71/351878871.db2.gz OLKJQIBSRBMUBW-SNVBAGLBSA-N 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179.267 1.312 10 0 ADAEHN CC1CC(N)(c2ccncc2F)C1 575554141 352651940 /nfs/dbraw/zinc/65/19/40/352651940.db2.gz DGTRRWLTGNFQCO-UHFFFAOYSA-N 0 3 180.226 1.805 10 0 ADAEHN Cc1ncc([C@]2(N)CC[C@H]2C)n1C 575554156 352652045 /nfs/dbraw/zinc/65/20/45/352652045.db2.gz DKWJIJLBECDFSJ-XCBNKYQSSA-N 0 3 179.267 1.312 10 0 ADAEHN Cc1ncsc1C1(N)CSC1 575554781 352653665 /nfs/dbraw/zinc/65/36/65/352653665.db2.gz UYGINRCRTVOWFL-UHFFFAOYSA-N 0 3 186.305 1.352 10 0 ADAEHN Cc1cc(CN)cc(NC=O)c1 575554697 352653669 /nfs/dbraw/zinc/65/36/69/352653669.db2.gz SOYRFVHPUSLLJO-UHFFFAOYSA-N 0 3 164.208 1.022 10 0 ADAEHN CC1CC(N)(c2cscn2)C1 575554952 352654271 /nfs/dbraw/zinc/65/42/71/352654271.db2.gz IKRJOXSUEOVIKT-UHFFFAOYSA-N 0 3 168.265 1.727 10 0 ADAEHN CC1CC(N)(c2cncnc2)C1 575554969 352654319 /nfs/dbraw/zinc/65/43/19/352654319.db2.gz IMOPIAJPKWTABG-UHFFFAOYSA-N 0 3 163.224 1.061 10 0 ADAEHN C[C@@H]1CCC[C@@]1(N)c1cn(C)cn1 575555250 352655679 /nfs/dbraw/zinc/65/56/79/352655679.db2.gz JFRCEZFUXLWFCS-SCZZXKLOSA-N 0 3 179.267 1.394 10 0 ADAEHN C[C@H]1CCC[C@]1(N)c1cn(C)cn1 575555252 352655768 /nfs/dbraw/zinc/65/57/68/352655768.db2.gz JFRCEZFUXLWFCS-WCBMZHEXSA-N 0 3 179.267 1.394 10 0 ADAEHN C[C@@H]1CCC[C@]1(N)c1cn(C)cn1 575555248 352655785 /nfs/dbraw/zinc/65/57/85/352655785.db2.gz JFRCEZFUXLWFCS-PSASIEDQSA-N 0 3 179.267 1.394 10 0 ADAEHN C[C@H]1CCC[C@@]1(N)c1cn(C)cn1 575555253 352655809 /nfs/dbraw/zinc/65/58/09/352655809.db2.gz JFRCEZFUXLWFCS-WPRPVWTQSA-N 0 3 179.267 1.394 10 0 ADAEHN NC1(c2c(F)cncc2F)CCC1 575555264 352655943 /nfs/dbraw/zinc/65/59/43/352655943.db2.gz JIYVQGONGWAPSC-UHFFFAOYSA-N 0 3 184.189 1.698 10 0 ADAEHN C[C@H](N)C(=O)[C@H]1CCCC[C@H]1C 575555760 352656906 /nfs/dbraw/zinc/65/69/06/352656906.db2.gz BIZAJDXCMDDSJK-VGMNWLOBSA-N 0 3 169.268 1.729 10 0 ADAEHN Clc1ccc(C=C2CNC2)nc1 575555683 352656936 /nfs/dbraw/zinc/65/69/36/352656936.db2.gz LWCWBQQMJNHQAB-UHFFFAOYSA-N 0 3 180.638 1.722 10 0 ADAEHN C[C@H](N)C(=O)[C@@H]1CCCC[C@H]1C 575555759 352656945 /nfs/dbraw/zinc/65/69/45/352656945.db2.gz BIZAJDXCMDDSJK-HRDYMLBCSA-N 0 3 169.268 1.729 10 0 ADAEHN C[C@H](N)C(=O)[C@H]1CCCC[C@@H]1C 575555757 352657019 /nfs/dbraw/zinc/65/70/19/352657019.db2.gz BIZAJDXCMDDSJK-CIUDSAMLSA-N 0 3 169.268 1.729 10 0 ADAEHN Cc1ncsc1[C@@]1(N)CCOC1 575555750 352657123 /nfs/dbraw/zinc/65/71/23/352657123.db2.gz MKMZYQAIXMURSD-MRVPVSSYSA-N 0 3 184.264 1.026 10 0 ADAEHN C[C@H](N)C(=O)[C@@H]1CCCC[C@@H]1C 575555762 352657312 /nfs/dbraw/zinc/65/73/12/352657312.db2.gz BIZAJDXCMDDSJK-XHNCKOQMSA-N 0 3 169.268 1.729 10 0 ADAEHN Cc1ncsc1[C@]1(N)CCOC1 575555796 352657877 /nfs/dbraw/zinc/65/78/77/352657877.db2.gz MKMZYQAIXMURSD-QMMMGPOBSA-N 0 3 184.264 1.026 10 0 ADAEHN COc1cc([C@@]2(N)CC[C@H]2C)sn1 575556275 352659031 /nfs/dbraw/zinc/65/90/31/352659031.db2.gz OWGBMNCOASDXLG-HZGVNTEJSA-N 0 3 198.291 1.736 10 0 ADAEHN COc1cc([C@]2(N)CC[C@@H]2C)sn1 575556290 352659051 /nfs/dbraw/zinc/65/90/51/352659051.db2.gz OWGBMNCOASDXLG-RCOVLWMOSA-N 0 3 198.291 1.736 10 0 ADAEHN COc1cc([C@@]2(N)CC[C@@H]2C)sn1 575556278 352659078 /nfs/dbraw/zinc/65/90/78/352659078.db2.gz OWGBMNCOASDXLG-IMTBSYHQSA-N 0 3 198.291 1.736 10 0 ADAEHN C[C@@H]1CC[C@@]1(N)c1ccns1 575556175 352659082 /nfs/dbraw/zinc/65/90/82/352659082.db2.gz NVCMQOMRESWNNV-SVRRBLITSA-N 0 3 168.265 1.727 10 0 ADAEHN COc1cc([C@]2(N)CC[C@H]2C)sn1 575556282 352659085 /nfs/dbraw/zinc/65/90/85/352659085.db2.gz OWGBMNCOASDXLG-MUWHJKNJSA-N 0 3 198.291 1.736 10 0 ADAEHN C[C@](N)(c1ccsn1)[C@@H]1CCOC1 575556207 352659094 /nfs/dbraw/zinc/65/90/94/352659094.db2.gz OGFGJEIMKPQWDQ-VXNVDRBHSA-N 0 3 198.291 1.354 10 0 ADAEHN C[C@@](N)(c1ccsn1)[C@H]1CCOC1 575556197 352659097 /nfs/dbraw/zinc/65/90/97/352659097.db2.gz OGFGJEIMKPQWDQ-CBAPKCEASA-N 0 3 198.291 1.354 10 0 ADAEHN CC1CC(N)(c2cncs2)C1 575556266 352659132 /nfs/dbraw/zinc/65/91/32/352659132.db2.gz OUTRFGFZGDYYMP-UHFFFAOYSA-N 0 3 168.265 1.727 10 0 ADAEHN C[C@H]1CC[C@@]1(N)c1ccns1 575556177 352659216 /nfs/dbraw/zinc/65/92/16/352659216.db2.gz 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575556726 352661179 /nfs/dbraw/zinc/66/11/79/352661179.db2.gz QOCFZSZRLJJCFG-HTRCEHHLSA-N 0 3 168.265 1.727 10 0 ADAEHN CC1CC(N)(c2cnsc2)C1 575556829 352661676 /nfs/dbraw/zinc/66/16/76/352661676.db2.gz RNNMVEQXAWJUFM-UHFFFAOYSA-N 0 3 168.265 1.727 10 0 ADAEHN C1CC[C@H]2[C@@H](C1)CN2C[C@@H]1CO1 575556963 352661735 /nfs/dbraw/zinc/66/17/35/352661735.db2.gz FGEREIYHEWKWDX-AEJSXWLSSA-N 0 3 167.252 1.260 10 0 ADAEHN Cc1nc(C2(N)CC(C)C2)cn1C 575557000 352662180 /nfs/dbraw/zinc/66/21/80/352662180.db2.gz GLIQSPWPVSUBGW-UHFFFAOYSA-N 0 3 179.267 1.312 10 0 ADAEHN COc1nc([C@@]2(N)CC[C@H]2C)cs1 575557159 352662766 /nfs/dbraw/zinc/66/27/66/352662766.db2.gz RVTNMYAREBUWJF-HZGVNTEJSA-N 0 3 198.291 1.736 10 0 ADAEHN C/C=C/[C@H](N)c1ccccn1 575557176 352662785 /nfs/dbraw/zinc/66/27/85/352662785.db2.gz LNNCZLGZLAMDLC-NCJLJLRUSA-N 0 3 148.209 1.658 10 0 ADAEHN COc1nc([C@]2(N)CC[C@H]2C)cs1 575557169 352662861 /nfs/dbraw/zinc/66/28/61/352662861.db2.gz RVTNMYAREBUWJF-MUWHJKNJSA-N 0 3 198.291 1.736 10 0 ADAEHN 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OPLBIFYCMWVBMS-QMMMGPOBSA-N 0 3 177.251 1.722 10 0 ADAEHN CC(C)C[C@@H]1COC2(CCC2)CN1 575568787 352718657 /nfs/dbraw/zinc/71/86/57/352718657.db2.gz FWEIMUOASYLKGI-SNVBAGLBSA-N 0 3 183.295 1.944 10 0 ADAEHN Cc1cc([C@@]2(N)COC[C@H]2C)sn1 575569177 352719610 /nfs/dbraw/zinc/71/96/10/352719610.db2.gz HDLDQINUEWOHSH-HZGVNTEJSA-N 0 3 198.291 1.272 10 0 ADAEHN C[C@@H]1C[C@@](N)(c2ccns2)CCO1 575569131 352719634 /nfs/dbraw/zinc/71/96/34/352719634.db2.gz CGKPRVCVUKSFQO-VXNVDRBHSA-N 0 3 198.291 1.496 10 0 ADAEHN C[C@H]1C[C@@](N)(c2ccns2)CCO1 575569129 352719639 /nfs/dbraw/zinc/71/96/39/352719639.db2.gz CGKPRVCVUKSFQO-IONNQARKSA-N 0 3 198.291 1.496 10 0 ADAEHN C[C@H]1C[C@](N)(c2ccns2)CCO1 575569127 352719728 /nfs/dbraw/zinc/71/97/28/352719728.db2.gz CGKPRVCVUKSFQO-CBAPKCEASA-N 0 3 198.291 1.496 10 0 ADAEHN Cc1cc([C@]2(N)COC[C@@H]2C)sn1 575569184 352719743 /nfs/dbraw/zinc/71/97/43/352719743.db2.gz HDLDQINUEWOHSH-RCOVLWMOSA-N 0 3 198.291 1.272 10 0 ADAEHN Cc1cc([C@]2(N)COC[C@H]2C)sn1 575569181 352719801 /nfs/dbraw/zinc/71/98/01/352719801.db2.gz HDLDQINUEWOHSH-MUWHJKNJSA-N 0 3 198.291 1.272 10 0 ADAEHN C[C@H]1CCN1[C@H]1CCC(=O)C1 575569342 352720145 /nfs/dbraw/zinc/72/01/45/352720145.db2.gz TZACYYFKEDFAEE-YUMQZZPRSA-N 0 3 153.225 1.202 10 0 ADAEHN C[C@@H]1CCN1[C@H]1CCC(=O)C1 575569341 352720164 /nfs/dbraw/zinc/72/01/64/352720164.db2.gz TZACYYFKEDFAEE-SFYZADRCSA-N 0 3 153.225 1.202 10 0 ADAEHN C[C@H]1CCN1[C@@H]1CCC(=O)C1 575569340 352720270 /nfs/dbraw/zinc/72/02/70/352720270.db2.gz TZACYYFKEDFAEE-JGVFFNPUSA-N 0 3 153.225 1.202 10 0 ADAEHN C[C@@H]1CCN1[C@@H]1CCC(=O)C1 575569339 352720373 /nfs/dbraw/zinc/72/03/73/352720373.db2.gz TZACYYFKEDFAEE-HTQZYQBOSA-N 0 3 153.225 1.202 10 0 ADAEHN Cc1nc([C@](C)(F)[C@@H](C)N)cn1C 575569386 352720462 /nfs/dbraw/zinc/72/04/62/352720462.db2.gz UVTKVXVVRFFGGO-HZGVNTEJSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1nc([C@@](C)(F)[C@@H](C)N)cn1C 575569397 352720470 /nfs/dbraw/zinc/72/04/70/352720470.db2.gz UVTKVXVVRFFGGO-MUWHJKNJSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1nc([C@@](C)(F)[C@H](C)N)cn1C 575569398 352720486 /nfs/dbraw/zinc/72/04/86/352720486.db2.gz UVTKVXVVRFFGGO-RCOVLWMOSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1nc([C@](C)(F)[C@H](C)N)cn1C 575569394 352720585 /nfs/dbraw/zinc/72/05/85/352720585.db2.gz UVTKVXVVRFFGGO-IMTBSYHQSA-N 0 3 185.246 1.260 10 0 ADAEHN Cc1sccc1[C@]1(N)CCOC1 575569611 352720893 /nfs/dbraw/zinc/72/08/93/352720893.db2.gz PYZOMCAYHWVTAO-VIFPVBQESA-N 0 3 183.276 1.631 10 0 ADAEHN Cc1sccc1[C@@]1(N)CCOC1 575569610 352721057 /nfs/dbraw/zinc/72/10/57/352721057.db2.gz PYZOMCAYHWVTAO-SECBINFHSA-N 0 3 183.276 1.631 10 0 ADAEHN C/C=C/[C@](F)(CN)C(C)C 575569538 352721189 /nfs/dbraw/zinc/72/11/89/352721189.db2.gz VTPUEXMOFBPDBC-ZJELKQJVSA-N 0 3 145.221 1.886 10 0 ADAEHN Cc1ccsc1[C@@]1(N)CCOC1 575569568 352721235 /nfs/dbraw/zinc/72/12/35/352721235.db2.gz PUTUNJNFDZXQHC-SECBINFHSA-N 0 3 183.276 1.631 10 0 ADAEHN C/C=C/[C@@](F)(CN)C(C)C 575569537 352721330 /nfs/dbraw/zinc/72/13/30/352721330.db2.gz VTPUEXMOFBPDBC-WTSVBCDHSA-N 0 3 145.221 1.886 10 0 ADAEHN Cc1ccsc1[C@]1(N)CCOC1 575569591 352721387 /nfs/dbraw/zinc/72/13/87/352721387.db2.gz PUTUNJNFDZXQHC-VIFPVBQESA-N 0 3 183.276 1.631 10 0 ADAEHN Cn1cncc1[C@H](N)C1(C)CC1 575569830 352722460 /nfs/dbraw/zinc/72/24/60/352722460.db2.gz NKYUOLZMOUTRJC-QMMMGPOBSA-N 0 3 165.240 1.220 10 0 ADAEHN Cn1cncc1[C@@H](N)C1(C)CC1 575569828 352722515 /nfs/dbraw/zinc/72/25/15/352722515.db2.gz NKYUOLZMOUTRJC-MRVPVSSYSA-N 0 3 165.240 1.220 10 0 ADAEHN N[C@]1(c2cncs2)CC[C@H]2C[C@H]21 575569821 352722554 /nfs/dbraw/zinc/72/25/54/352722554.db2.gz RBAFQPCFNCRWCF-LKEWCRSYSA-N 0 3 180.276 1.727 10 0 ADAEHN N[C@]1(c2cncs2)CC[C@@H]2C[C@@H]21 575569819 352722688 /nfs/dbraw/zinc/72/26/88/352722688.db2.gz RBAFQPCFNCRWCF-BKPPORCPSA-N 0 3 180.276 1.727 10 0 ADAEHN C[C@](N)(C(F)F)C1CCOCC1 575569883 352723084 /nfs/dbraw/zinc/72/30/84/352723084.db2.gz IRWBEJKBJSJISG-MRVPVSSYSA-N 0 3 179.210 1.396 10 0 ADAEHN C[C@H]1C[C@@](N)(c2cccs2)CN1C 575569918 352723119 /nfs/dbraw/zinc/72/31/19/352723119.db2.gz JWRSCWNYEMHTRX-WPRPVWTQSA-N 0 3 196.319 1.626 10 0 ADAEHN C[C@H]1C[C@](N)(c2cccs2)CN1C 575569914 352723138 /nfs/dbraw/zinc/72/31/38/352723138.db2.gz JWRSCWNYEMHTRX-WCBMZHEXSA-N 0 3 196.319 1.626 10 0 ADAEHN C[C@@](N)(C(F)F)C1CCOCC1 575569886 352723150 /nfs/dbraw/zinc/72/31/50/352723150.db2.gz IRWBEJKBJSJISG-QMMMGPOBSA-N 0 3 179.210 1.396 10 0 ADAEHN C[C@@H]1C[C@@](N)(c2cccs2)CN1C 575569911 352723195 /nfs/dbraw/zinc/72/31/95/352723195.db2.gz JWRSCWNYEMHTRX-SCZZXKLOSA-N 0 3 196.319 1.626 10 0 ADAEHN Cn1cncc1[C@@H](N)[C@@H]1CC1(C)C 575569948 352723223 /nfs/dbraw/zinc/72/32/23/352723223.db2.gz NPWJCTUUHJBXLQ-CBAPKCEASA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1cncc1[C@H](N)[C@@H]1CC1(C)C 575569952 352723229 /nfs/dbraw/zinc/72/32/29/352723229.db2.gz NPWJCTUUHJBXLQ-IONNQARKSA-N 0 3 179.267 1.466 10 0 ADAEHN N#CN1CCNC2(CCCCC2)C1 575569933 352723239 /nfs/dbraw/zinc/72/32/39/352723239.db2.gz RMBOZDXGASEWIY-UHFFFAOYSA-N 0 3 179.267 1.076 10 0 ADAEHN C1CC([C@H]2CNCC3(CCC3)O2)C1 575569945 352723313 /nfs/dbraw/zinc/72/33/13/352723313.db2.gz IVNUVCHLVIKQGX-SNVBAGLBSA-N 0 3 181.279 1.698 10 0 ADAEHN Cn1cncc1[C@@H](N)[C@H]1CC1(C)C 575569934 352723349 /nfs/dbraw/zinc/72/33/49/352723349.db2.gz NPWJCTUUHJBXLQ-APPZFPTMSA-N 0 3 179.267 1.466 10 0 ADAEHN Cn1cncc1[C@H](N)[C@H]1CC1(C)C 575569955 352723412 /nfs/dbraw/zinc/72/34/12/352723412.db2.gz NPWJCTUUHJBXLQ-VXNVDRBHSA-N 0 3 179.267 1.466 10 0 ADAEHN C1CC([C@@H]2CNCC3(CCC3)O2)C1 575569943 352723432 /nfs/dbraw/zinc/72/34/32/352723432.db2.gz IVNUVCHLVIKQGX-JTQLQIEISA-N 0 3 181.279 1.698 10 0 ADAEHN Cc1nc([C@H](F)C(C)(C)N)cn1C 575570132 352723757 /nfs/dbraw/zinc/72/37/57/352723757.db2.gz WBBOSEULKNNZKF-QMMMGPOBSA-N 0 3 185.246 1.476 10 0 ADAEHN CC(=O)C[C@@H](C)N1CC[C@H]1C 575570147 352723769 /nfs/dbraw/zinc/72/37/69/352723769.db2.gz WGYMMCTXAGLIIM-HTQZYQBOSA-N 0 3 155.241 1.448 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@@H](N)c1cncn1C 575570099 352723815 /nfs/dbraw/zinc/72/38/15/352723815.db2.gz PHHLWZGZJYCCGA-BKPPORCPSA-N 0 3 165.240 1.076 10 0 ADAEHN CC(=O)C[C@H](C)N1CC[C@@H]1C 575570153 352723824 /nfs/dbraw/zinc/72/38/24/352723824.db2.gz WGYMMCTXAGLIIM-YUMQZZPRSA-N 0 3 155.241 1.448 10 0 ADAEHN CC(=O)C[C@@H](C)N1CC[C@@H]1C 575570149 352724008 /nfs/dbraw/zinc/72/40/08/352724008.db2.gz WGYMMCTXAGLIIM-JGVFFNPUSA-N 0 3 155.241 1.448 10 0 ADAEHN Cc1nc([C@@H](F)C(C)(C)N)cn1C 575570130 352724093 /nfs/dbraw/zinc/72/40/93/352724093.db2.gz WBBOSEULKNNZKF-MRVPVSSYSA-N 0 3 185.246 1.476 10 0 ADAEHN C[C@@H]1C[C@H]1[C@@H](N)c1cncn1C 575570102 352724142 /nfs/dbraw/zinc/72/41/42/352724142.db2.gz PHHLWZGZJYCCGA-ZXFLCMHBSA-N 0 3 165.240 1.076 10 0 ADAEHN C[C@@H]1C[C@H]1[C@H](N)c1cncn1C 575570092 352724258 /nfs/dbraw/zinc/72/42/58/352724258.db2.gz PHHLWZGZJYCCGA-BHNWBGBOSA-N 0 3 165.240 1.076 10 0 ADAEHN CC(=O)C[C@H](C)N1CC[C@H]1C 575570151 352724301 /nfs/dbraw/zinc/72/43/01/352724301.db2.gz WGYMMCTXAGLIIM-SFYZADRCSA-N 0 3 155.241 1.448 10 0 ADAEHN C[C@@H]1C[C@@H]1[C@H](N)c1cncn1C 575570100 352724321 /nfs/dbraw/zinc/72/43/21/352724321.db2.gz PHHLWZGZJYCCGA-FJXKBIBVSA-N 0 3 165.240 1.076 10 0 ADAEHN CC[C@@H]1COC2(CCC2)CN1 575570327 352724595 /nfs/dbraw/zinc/72/45/95/352724595.db2.gz JRHYKQFZQQKBDE-MRVPVSSYSA-N 0 3 155.241 1.308 10 0 ADAEHN O=C1CCC[C@@H]1N1C[C@H]2CCC[C@H]21 575570252 352724763 /nfs/dbraw/zinc/72/47/63/352724763.db2.gz XOMZUFYCQZHQLM-BBBLOLIVSA-N 0 3 179.263 1.592 10 0 ADAEHN O=C1CCC[C@@H]1N1C[C@@H]2CCC[C@@H]21 575570254 352724776 /nfs/dbraw/zinc/72/47/76/352724776.db2.gz XOMZUFYCQZHQLM-GUBZILKMSA-N 0 3 179.263 1.592 10 0 ADAEHN O=C1CCC[C@@H]1N1C[C@H]2CCC[C@@H]21 575570255 352724863 /nfs/dbraw/zinc/72/48/63/352724863.db2.gz XOMZUFYCQZHQLM-UTLUCORTSA-N 0 3 179.263 1.592 10 0 ADAEHN O=C1CCC[C@@H]1N1C[C@@H]2CCC[C@H]21 575570235 352724991 /nfs/dbraw/zinc/72/49/91/352724991.db2.gz XOMZUFYCQZHQLM-AEJSXWLSSA-N 0 3 179.263 1.592 10 0 ADAEHN CC(=O)CN1CCCC2(CC1)CC2 575570200 352725060 /nfs/dbraw/zinc/72/50/60/352725060.db2.gz XKLCCBVAWCBZJB-UHFFFAOYSA-N 0 3 181.279 1.842 10 0 ADAEHN CC[C@H]1COC2(CCC2)CN1 575570334 352725411 /nfs/dbraw/zinc/72/54/11/352725411.db2.gz JRHYKQFZQQKBDE-QMMMGPOBSA-N 0 3 155.241 1.308 10 0 ADAEHN Cc1ncsc1[C@@]1(N)COC[C@@H]1C 575570450 352725489 /nfs/dbraw/zinc/72/54/89/352725489.db2.gz KGYCOOZFUBGFLO-IMTBSYHQSA-N 0 3 198.291 1.272 10 0 ADAEHN Cc1ncsc1[C@@]1(N)COC[C@H]1C 575570449 352725505 /nfs/dbraw/zinc/72/55/05/352725505.db2.gz KGYCOOZFUBGFLO-HZGVNTEJSA-N 0 3 198.291 1.272 10 0 ADAEHN Cc1ncsc1[C@]1(N)COC[C@H]1C 575570454 352725559 /nfs/dbraw/zinc/72/55/59/352725559.db2.gz KGYCOOZFUBGFLO-MUWHJKNJSA-N 0 3 198.291 1.272 10 0 ADAEHN N[C@]1(c2cscn2)CC[C@@H]2C[C@@H]21 575570474 352726099 /nfs/dbraw/zinc/72/60/99/352726099.db2.gz SLIWOKJWHBJNQF-BKPPORCPSA-N 0 3 180.276 1.727 10 0 ADAEHN Cc1sccc1[C@]1(N)COC[C@@H]1C 575570513 352726103 /nfs/dbraw/zinc/72/61/03/352726103.db2.gz KJAIHAXWKQYGAT-XVKPBYJWSA-N 0 3 197.303 1.877 10 0 ADAEHN Cc1sccc1[C@@]1(N)COC[C@@H]1C 575570472 352726129 /nfs/dbraw/zinc/72/61/29/352726129.db2.gz KJAIHAXWKQYGAT-OIBJUYFYSA-N 0 3 197.303 1.877 10 0 ADAEHN Cc1ncsc1[C@]1(N)COC[C@@H]1C 575570466 352726143 /nfs/dbraw/zinc/72/61/43/352726143.db2.gz KGYCOOZFUBGFLO-RCOVLWMOSA-N 0 3 198.291 1.272 10 0 ADAEHN Cc1sccc1[C@@]1(N)COC[C@H]1C 575570471 352726151 /nfs/dbraw/zinc/72/61/51/352726151.db2.gz KJAIHAXWKQYGAT-GMSGAONNSA-N 0 3 197.303 1.877 10 0 ADAEHN Cc1sccc1[C@]1(N)COC[C@H]1C 575570504 352726168 /nfs/dbraw/zinc/72/61/68/352726168.db2.gz KJAIHAXWKQYGAT-XCBNKYQSSA-N 0 3 197.303 1.877 10 0 ADAEHN C[C@@H]1C[C@]1(C)[C@H](N)c1cncn1C 575570585 352726193 /nfs/dbraw/zinc/72/61/93/352726193.db2.gz HCUAQMJABZOUIA-QNSHHTMESA-N 0 3 179.267 1.466 10 0 ADAEHN C[C@@H]1C[C@@]1(C)[C@@H](N)c1cncn1C 575570579 352726211 /nfs/dbraw/zinc/72/62/11/352726211.db2.gz HCUAQMJABZOUIA-FKTZTGRPSA-N 0 3 179.267 1.466 10 0 ADAEHN C[C@@H]1C[C@@]1(C)[C@H](N)c1cncn1C 575570586 352726320 /nfs/dbraw/zinc/72/63/20/352726320.db2.gz HCUAQMJABZOUIA-SZEHBUNVSA-N 0 3 179.267 1.466 10 0 ADAEHN N[C@]1(c2cscn2)CC[C@H]2C[C@H]21 575570475 352726351 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0 3 198.310 1.243 10 0 ADAEHN CC[C@H](C)C(=O)N[C@H]1CCN(CC)C1 665669222 409883518 /nfs/dbraw/zinc/88/35/18/409883518.db2.gz GSZXXWIXLVXRGP-UWVGGRQHSA-N 0 3 198.310 1.243 10 0 ADAEHN COCCCCNCc1conc1C 381983155 409884628 /nfs/dbraw/zinc/88/46/28/409884628.db2.gz FSPKXUUYIAKESR-UHFFFAOYSA-N 0 3 198.266 1.499 10 0 ADAEHN C[C@@H](F)CCNCc1ccccn1 381977860 409884872 /nfs/dbraw/zinc/88/48/72/409884872.db2.gz AQMXSHYOABEPBZ-SECBINFHSA-N 0 3 182.242 1.919 10 0 ADAEHN C[C@H](F)CCNCc1ccccn1 381977871 409885779 /nfs/dbraw/zinc/88/57/79/409885779.db2.gz AQMXSHYOABEPBZ-VIFPVBQESA-N 0 3 182.242 1.919 10 0 ADAEHN FCCCCN[C@@H]1CCn2ccnc21 382069380 409887117 /nfs/dbraw/zinc/88/71/17/409887117.db2.gz FKZOMUDAZLGFLS-SECBINFHSA-N 0 3 197.257 1.667 10 0 ADAEHN CC[C@H](O)CCNCc1conc1C 382005686 409887343 /nfs/dbraw/zinc/88/73/43/409887343.db2.gz AXCWJSCVELCBOY-JTQLQIEISA-N 0 3 198.266 1.234 10 0 ADAEHN FCCCCN[C@H]1CCn2ccnc21 382069382 409888960 /nfs/dbraw/zinc/88/89/60/409888960.db2.gz FKZOMUDAZLGFLS-VIFPVBQESA-N 0 3 197.257 1.667 10 0 ADAEHN CC[C@@H](O)CCNCc1conc1C 382005691 409889056 /nfs/dbraw/zinc/88/90/56/409889056.db2.gz AXCWJSCVELCBOY-SNVBAGLBSA-N 0 3 198.266 1.234 10 0 ADAEHN COC(C)(C)CNCc1conc1C 381994690 409889112 /nfs/dbraw/zinc/88/91/12/409889112.db2.gz IFOOJYDKBHIIHS-UHFFFAOYSA-N 0 3 198.266 1.498 10 0 ADAEHN COCCCNCc1oc(C)nc1C 382132806 409889962 /nfs/dbraw/zinc/88/99/62/409889962.db2.gz KNQCSOVRTNBVFH-UHFFFAOYSA-N 0 3 198.266 1.418 10 0 ADAEHN CCC[C@H](N)C(=O)N(C)C(C)(C)C 382134734 409890027 /nfs/dbraw/zinc/89/00/27/409890027.db2.gz PJOMWQVAPMVJSY-QMMMGPOBSA-N 0 3 186.299 1.371 10 0 ADAEHN CCN(C)C(=O)CNC1(C(C)C)CC1 382110122 409890300 /nfs/dbraw/zinc/89/03/00/409890300.db2.gz KBEXLNHDVGRKBZ-UHFFFAOYSA-N 0 3 198.310 1.243 10 0 ADAEHN Cc1nocc1CNCCC[C@@H](C)O 382112412 409890592 /nfs/dbraw/zinc/89/05/92/409890592.db2.gz KWFIWBCHNPTMNH-MRVPVSSYSA-N 0 3 198.266 1.234 10 0 ADAEHN c1cc(CNC[C@@H]2C[C@H]2C2CC2)n[nH]1 382096671 409890863 /nfs/dbraw/zinc/89/08/63/409890863.db2.gz DZTFNIJCPHQSES-ONGXEEELSA-N 0 3 191.278 1.545 10 0 ADAEHN CCC[C@@H](N)C(=O)N(C)C(C)(C)C 382134733 409891359 /nfs/dbraw/zinc/89/13/59/409891359.db2.gz PJOMWQVAPMVJSY-MRVPVSSYSA-N 0 3 186.299 1.371 10 0 ADAEHN Cc1nocc1CNCCC[C@H](C)O 382112414 409891417 /nfs/dbraw/zinc/89/14/17/409891417.db2.gz KWFIWBCHNPTMNH-QMMMGPOBSA-N 0 3 198.266 1.234 10 0 ADAEHN CC(C)OCCN1C[C@H](C)[C@H]1C 382183998 409897457 /nfs/dbraw/zinc/89/74/57/409897457.db2.gz APIQEEUJCLCONU-VHSXEESVSA-N 0 3 171.284 1.752 10 0 ADAEHN Cc1nocc1CNCCCCF 382167718 409893148 /nfs/dbraw/zinc/89/31/48/409893148.db2.gz VKFOFEXHVPYADI-UHFFFAOYSA-N 0 3 186.230 1.822 10 0 ADAEHN CC[C@H](CNCc1conc1C)OC 382150563 409893521 /nfs/dbraw/zinc/89/35/21/409893521.db2.gz PLOKAPSNJQMUOV-SNVBAGLBSA-N 0 3 198.266 1.498 10 0 ADAEHN CC[C@@H](NCc1cn[nH]c1)C(C)(C)O 382144029 409894227 /nfs/dbraw/zinc/89/42/27/409894227.db2.gz NLCXYVBUSMZWHA-SECBINFHSA-N 0 3 197.282 1.049 10 0 ADAEHN Cc1nocc1CNCC(C)(C)CO 382155278 409894403 /nfs/dbraw/zinc/89/44/03/409894403.db2.gz QZVZMSDHLASRTH-UHFFFAOYSA-N 0 3 198.266 1.091 10 0 ADAEHN CCCNC(=O)CNC1(C(C)C)CC1 382150327 409894639 /nfs/dbraw/zinc/89/46/39/409894639.db2.gz PJLZOMXHAVGHKR-UHFFFAOYSA-N 0 3 198.310 1.291 10 0 ADAEHN CC[C@@H](CNCc1conc1C)OC 382150554 409894755 /nfs/dbraw/zinc/89/47/55/409894755.db2.gz PLOKAPSNJQMUOV-JTQLQIEISA-N 0 3 198.266 1.498 10 0 ADAEHN CC[C@H](NCc1cn[nH]c1)C(C)(C)O 382144033 409894800 /nfs/dbraw/zinc/89/48/00/409894800.db2.gz NLCXYVBUSMZWHA-VIFPVBQESA-N 0 3 197.282 1.049 10 0 ADAEHN CN(C[C@@H](O)C(F)(F)F)C(C)(C)C 382199973 409895864 /nfs/dbraw/zinc/89/58/64/409895864.db2.gz YZUQONSGIWHZMJ-ZCFIWIBFSA-N 0 3 199.216 1.640 10 0 ADAEHN CN(C[C@H](O)C(F)(F)F)C(C)(C)C 382199407 409896073 /nfs/dbraw/zinc/89/60/73/409896073.db2.gz YZUQONSGIWHZMJ-LURJTMIESA-N 0 3 199.216 1.640 10 0 ADAEHN Cc1n[nH]cc1CNCC[C@H](C)F 382207045 409896196 /nfs/dbraw/zinc/89/61/96/409896196.db2.gz GGLGVWAIJFTQJS-ZETCQYMHSA-N 0 3 185.246 1.556 10 0 ADAEHN CC(C)OCCN1C[C@@H](C)[C@@H]1C 382184003 409896264 /nfs/dbraw/zinc/89/62/64/409896264.db2.gz APIQEEUJCLCONU-ZJUUUORDSA-N 0 3 171.284 1.752 10 0 ADAEHN Cc1n[nH]cc1CNCC[C@@H](C)F 382207042 409896453 /nfs/dbraw/zinc/89/64/53/409896453.db2.gz GGLGVWAIJFTQJS-SSDOTTSWSA-N 0 3 185.246 1.556 10 0 ADAEHN COC[C@@H]1CCN1CC=C(C)C 382200128 409896472 /nfs/dbraw/zinc/89/64/72/409896472.db2.gz DXOLVHWYEBWWFO-JTQLQIEISA-N 0 3 169.268 1.673 10 0 ADAEHN Cc1cnn(C)c1CNCC[C@H](C)F 382177863 409896625 /nfs/dbraw/zinc/89/66/25/409896625.db2.gz YMULINHAKIJJJR-VIFPVBQESA-N 0 3 199.273 1.566 10 0 ADAEHN Cc1nocc1CN[C@H](C)C(C)(C)O 382184686 409896803 /nfs/dbraw/zinc/89/68/03/409896803.db2.gz ARQSPMGFBRWMOZ-MRVPVSSYSA-N 0 3 198.266 1.232 10 0 ADAEHN CC(C)OCCN1C[C@H](C)[C@@H]1C 382183994 409896870 /nfs/dbraw/zinc/89/68/70/409896870.db2.gz APIQEEUJCLCONU-UWVGGRQHSA-N 0 3 171.284 1.752 10 0 ADAEHN C[C@@H](F)CCNCc1cccnc1 382211322 409896908 /nfs/dbraw/zinc/89/69/08/409896908.db2.gz HCQXWVUPILCNOX-SECBINFHSA-N 0 3 182.242 1.919 10 0 ADAEHN C[C@H](F)CCNCc1cnn(C)c1 382201044 409897078 /nfs/dbraw/zinc/89/70/78/409897078.db2.gz FDJHDZQDPRCRHQ-QMMMGPOBSA-N 0 3 185.246 1.258 10 0 ADAEHN C[C@@H](F)CCNCc1cnn(C)c1 382201043 409897497 /nfs/dbraw/zinc/89/74/97/409897497.db2.gz FDJHDZQDPRCRHQ-MRVPVSSYSA-N 0 3 185.246 1.258 10 0 ADAEHN COC[C@H]1CCN1CC=C(C)C 382200129 409897847 /nfs/dbraw/zinc/89/78/47/409897847.db2.gz DXOLVHWYEBWWFO-SNVBAGLBSA-N 0 3 169.268 1.673 10 0 ADAEHN C[C@H](F)CCNCc1cccnc1 382211324 409897899 /nfs/dbraw/zinc/89/78/99/409897899.db2.gz HCQXWVUPILCNOX-VIFPVBQESA-N 0 3 182.242 1.919 10 0 ADAEHN Cc1nocc1CN[C@H](CO)C(C)C 382203529 409898114 /nfs/dbraw/zinc/89/81/14/409898114.db2.gz FPWQPXQNEPEPHH-SNVBAGLBSA-N 0 3 198.266 1.090 10 0 ADAEHN Cc1nocc1CN[C@@H](C)CCCO 382173889 409898192 /nfs/dbraw/zinc/89/81/92/409898192.db2.gz XGQJLWDWVAKJQW-QMMMGPOBSA-N 0 3 198.266 1.234 10 0 ADAEHN CC(C)OCCN1C[C@@H](C)[C@H]1C 382183988 409898384 /nfs/dbraw/zinc/89/83/84/409898384.db2.gz APIQEEUJCLCONU-NXEZZACHSA-N 0 3 171.284 1.752 10 0 ADAEHN Cc1nocc1CN[C@@H](C)C(C)(C)O 382184690 409898449 /nfs/dbraw/zinc/89/84/49/409898449.db2.gz ARQSPMGFBRWMOZ-QMMMGPOBSA-N 0 3 198.266 1.232 10 0 ADAEHN Cc1nocc1CN[C@H](C)CCCO 382173887 409898579 /nfs/dbraw/zinc/89/85/79/409898579.db2.gz XGQJLWDWVAKJQW-MRVPVSSYSA-N 0 3 198.266 1.234 10 0 ADAEHN Cc1nocc1CNCCC1CC1 382199994 409898644 /nfs/dbraw/zinc/89/86/44/409898644.db2.gz DUPUXJWBEFADOP-UHFFFAOYSA-N 0 3 180.251 1.873 10 0 ADAEHN Cc1cnn(C)c1CNCC[C@@H](C)F 382177859 409898706 /nfs/dbraw/zinc/89/87/06/409898706.db2.gz YMULINHAKIJJJR-SECBINFHSA-N 0 3 199.273 1.566 10 0 ADAEHN C[C@@H](F)CCNCc1ccnn1C 382290963 409899431 /nfs/dbraw/zinc/89/94/31/409899431.db2.gz KYNFLLBNIAMWSK-MRVPVSSYSA-N 0 3 185.246 1.258 10 0 ADAEHN CC[C@@H](COC)NCc1conc1C 382317531 409899816 /nfs/dbraw/zinc/89/98/16/409899816.db2.gz RZQNWFAZFHQULW-JTQLQIEISA-N 0 3 198.266 1.498 10 0 ADAEHN CC(C)NC(=O)CNC1(C(C)C)CC1 382316901 409899835 /nfs/dbraw/zinc/89/98/35/409899835.db2.gz RUFKZLFSZPHFDL-UHFFFAOYSA-N 0 3 198.310 1.289 10 0 ADAEHN COCCCCN1CC[C@H]1COC 382305128 409899951 /nfs/dbraw/zinc/89/99/51/409899951.db2.gz OOYCLKJKMRGTQR-JTQLQIEISA-N 0 3 187.283 1.134 10 0 ADAEHN COC[C@@H]1CCN1CCCCCF 382313773 409899983 /nfs/dbraw/zinc/89/99/83/409899983.db2.gz RAIUAHVQIZZEFN-JTQLQIEISA-N 0 3 189.274 1.847 10 0 ADAEHN Cc1c[nH]nc1CNCC[C@H](C)F 382284486 409900484 /nfs/dbraw/zinc/90/04/84/409900484.db2.gz JORQKZZSMLMWJX-QMMMGPOBSA-N 0 3 185.246 1.556 10 0 ADAEHN COC[C@H]1CCN1CCCCCF 382313774 409900552 /nfs/dbraw/zinc/90/05/52/409900552.db2.gz RAIUAHVQIZZEFN-SNVBAGLBSA-N 0 3 189.274 1.847 10 0 ADAEHN COCCCCN1CC[C@@H]1COC 382305129 409900668 /nfs/dbraw/zinc/90/06/68/409900668.db2.gz OOYCLKJKMRGTQR-SNVBAGLBSA-N 0 3 187.283 1.134 10 0 ADAEHN Cc1c[nH]nc1CNCC[C@@H](C)F 382284485 409900788 /nfs/dbraw/zinc/90/07/88/409900788.db2.gz JORQKZZSMLMWJX-MRVPVSSYSA-N 0 3 185.246 1.556 10 0 ADAEHN CC[C@H](COC)NCc1conc1C 382317532 409900810 /nfs/dbraw/zinc/90/08/10/409900810.db2.gz RZQNWFAZFHQULW-SNVBAGLBSA-N 0 3 198.266 1.498 10 0 ADAEHN C[C@@H](F)CCNCc1cncn1C 382335459 409900875 /nfs/dbraw/zinc/90/08/75/409900875.db2.gz XZYPRYKTAUCAAO-MRVPVSSYSA-N 0 3 185.246 1.258 10 0 ADAEHN C[C@H](F)CCNCc1ccnn1C 382290965 409901070 /nfs/dbraw/zinc/90/10/70/409901070.db2.gz KYNFLLBNIAMWSK-QMMMGPOBSA-N 0 3 185.246 1.258 10 0 ADAEHN Cc1nocc1CNCCC(C)(C)O 382321577 409901256 /nfs/dbraw/zinc/90/12/56/409901256.db2.gz TYYBDFSCAWTTKT-UHFFFAOYSA-N 0 3 198.266 1.234 10 0 ADAEHN C[C@H](F)CCNCc1cncn1C 382335460 409901408 /nfs/dbraw/zinc/90/14/08/409901408.db2.gz XZYPRYKTAUCAAO-QMMMGPOBSA-N 0 3 185.246 1.258 10 0 ADAEHN C[C@H]1CN(CCOCC2CC2)[C@@H]1C 382408567 409903381 /nfs/dbraw/zinc/90/33/81/409903381.db2.gz SUEIJPCRJYALRY-VHSXEESVSA-N 0 3 183.295 1.753 10 0 ADAEHN C[C@@H]1CN(CCOCC2CC2)[C@@H]1C 382408565 409903440 /nfs/dbraw/zinc/90/34/40/409903440.db2.gz SUEIJPCRJYALRY-NXEZZACHSA-N 0 3 183.295 1.753 10 0 ADAEHN Cc1sccc1CN[C@@H]1C[C@H]1CO 382404423 409903567 /nfs/dbraw/zinc/90/35/67/409903567.db2.gz ROGGFHQWKAWWSR-VHSXEESVSA-N 0 3 197.303 1.527 10 0 ADAEHN C[C@H]1[C@H](C)CN1CCOCC1CC1 382408568 409903894 /nfs/dbraw/zinc/90/38/94/409903894.db2.gz SUEIJPCRJYALRY-ZJUUUORDSA-N 0 3 183.295 1.753 10 0 ADAEHN CCC[C@H](N)C(=O)NC1(C2CC2)CC1 382371687 409904391 /nfs/dbraw/zinc/90/43/91/409904391.db2.gz FZDOSYUHZMTJNJ-VIFPVBQESA-N 0 3 196.294 1.173 10 0 ADAEHN C[C@H]1CN(CCOCC2CC2)[C@H]1C 382408566 409904583 /nfs/dbraw/zinc/90/45/83/409904583.db2.gz SUEIJPCRJYALRY-UWVGGRQHSA-N 0 3 183.295 1.753 10 0 ADAEHN CC/C=C\CNC[C@H](O)C(F)(F)F 384706922 409909714 /nfs/dbraw/zinc/90/97/14/409909714.db2.gz CKTRMJJXZDDFFX-AVALRIAPSA-N 0 3 197.200 1.465 10 0 ADAEHN CC/C=C\CNC[C@@H](O)C(F)(F)F 384706925 409910143 /nfs/dbraw/zinc/91/01/43/409910143.db2.gz CKTRMJJXZDDFFX-KFOINNEUSA-N 0 3 197.200 1.465 10 0 ADAEHN CC/C=C/CNC[C@@H](O)C(F)(F)F 384706926 409910287 /nfs/dbraw/zinc/91/02/87/409910287.db2.gz CKTRMJJXZDDFFX-KGGZQZJCSA-N 0 3 197.200 1.465 10 0 ADAEHN CC/C=C/CNC[C@H](O)C(F)(F)F 384706927 409911565 /nfs/dbraw/zinc/91/15/65/409911565.db2.gz CKTRMJJXZDDFFX-SDLBARTOSA-N 0 3 197.200 1.465 10 0 ADAEHN C/C=C\CNC(=O)[C@H](N)[C@H](C)CC 384735366 409912916 /nfs/dbraw/zinc/91/29/16/409912916.db2.gz BYQIOFIPCGGVDE-FXFQRMSGSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@H](N)[C@@H](C)CC 384735372 409913088 /nfs/dbraw/zinc/91/30/88/409913088.db2.gz BYQIOFIPCGGVDE-HNEWHRDISA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C\CNC(=O)[C@@H](N)[C@@H](C)CC 384735391 409913741 /nfs/dbraw/zinc/91/37/41/409913741.db2.gz BYQIOFIPCGGVDE-LOJJWDKESA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@H](N)[C@H](C)CC 384735364 409914188 /nfs/dbraw/zinc/91/41/88/409914188.db2.gz BYQIOFIPCGGVDE-FVOAXITGSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C\CNC(=O)[C@H](N)[C@@H](C)CC 384735396 409914295 /nfs/dbraw/zinc/91/42/95/409914295.db2.gz BYQIOFIPCGGVDE-VGEAGSPOSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@@H](N)[C@@H](C)CC 384735363 409914556 /nfs/dbraw/zinc/91/45/56/409914556.db2.gz BYQIOFIPCGGVDE-AIZLHNLISA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C\CNC(=O)[C@@H](N)C(C)(C)C 384880797 409915203 /nfs/dbraw/zinc/91/52/03/409915203.db2.gz QUAMQCDJPDTNCH-RPSMYOMKSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@@H](N)CC(C)C 384869689 409915690 /nfs/dbraw/zinc/91/56/90/409915690.db2.gz OOPAKVSWRXJJDZ-MOVJSRMASA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@H](N)CC(C)C 384869963 409916533 /nfs/dbraw/zinc/91/65/33/409916533.db2.gz OOPAKVSWRXJJDZ-XNPJLODASA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@@H](N)C(C)(C)C 384880796 409916388 /nfs/dbraw/zinc/91/63/88/409916388.db2.gz QUAMQCDJPDTNCH-HQZHTGGTSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C\CNC(=O)[C@H](N)CC(C)C 384869965 409916721 /nfs/dbraw/zinc/91/67/21/409916721.db2.gz OOPAKVSWRXJJDZ-XRVBUDJMSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C\CNC(=O)[C@@H](N)CC(C)C 384869694 409917005 /nfs/dbraw/zinc/91/70/05/409917005.db2.gz OOPAKVSWRXJJDZ-WBSSQXGSSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@](C)(N)CCC 384881123 409917384 /nfs/dbraw/zinc/91/73/84/409917384.db2.gz QWINBMQOGXPQDU-DFVUYQKZSA-N 0 3 184.283 1.196 10 0 ADAEHN C/C=C\CNC(=O)[C@@](C)(N)CCC 384881124 409917460 /nfs/dbraw/zinc/91/74/60/409917460.db2.gz QWINBMQOGXPQDU-OAQKJQOQSA-N 0 3 184.283 1.196 10 0 ADAEHN C/C=C\CNC(=O)[C@](C)(N)CCC 384881122 409917508 /nfs/dbraw/zinc/91/75/08/409917508.db2.gz QWINBMQOGXPQDU-AYYIZTPMSA-N 0 3 184.283 1.196 10 0 ADAEHN C/C=C/CNC(=O)[C@@](C)(N)CCC 384881125 409917598 /nfs/dbraw/zinc/91/75/98/409917598.db2.gz QWINBMQOGXPQDU-RWCYGVJQSA-N 0 3 184.283 1.196 10 0 ADAEHN C/C=C\CNC(=O)[C@@H](N)[C@H](C)CC 384923505 409918482 /nfs/dbraw/zinc/91/84/82/409918482.db2.gz BYQIOFIPCGGVDE-XGLIGSBPSA-N 0 3 184.283 1.052 10 0 ADAEHN C/C=C/CNC(=O)[C@@H](N)[C@H](C)CC 384923496 409918938 /nfs/dbraw/zinc/91/89/38/409918938.db2.gz BYQIOFIPCGGVDE-OGSWXMBVSA-N 0 3 184.283 1.052 10 0 ADAEHN CC/C=C\CNCc1cnn(C)c1C 384921355 409919647 /nfs/dbraw/zinc/91/96/47/409919647.db2.gz 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238386146 573398790 /nfs/dbraw/zinc/39/87/90/573398790.db2.gz APZVXWIVVMBNSU-MRVPVSSYSA-N 0 3 197.209 1.574 10 0 ADAEHN CC[C@@H](C)C(=O)C(C)(C)N(C)C 86389199 573398864 /nfs/dbraw/zinc/39/88/64/573398864.db2.gz PXIKYYMSWQAQRX-MRVPVSSYSA-N 0 3 171.284 1.942 10 0 ADAEHN CC[C@H](N)C(=O)N[C@@H](C)C(C)(C)C 133408916 573399111 /nfs/dbraw/zinc/39/91/11/573399111.db2.gz CVOFZUDTTKBNIR-YUMQZZPRSA-N 0 3 186.299 1.275 10 0 ADAEHN COC[C@@H]1CN[C@@H]1c1ccccc1F 257810360 573399499 /nfs/dbraw/zinc/39/94/99/573399499.db2.gz AHXQYFLHQZBBCR-KWQFWETISA-N 0 3 195.237 1.733 10 0 ADAEHN NCc1[nH]nc2c1C(F)(F)CCC2 257810237 573399560 /nfs/dbraw/zinc/39/95/60/573399560.db2.gz AGYYLBYVCWLIOT-UHFFFAOYSA-N 0 3 187.193 1.297 10 0 ADAEHN COc1ccncc1[C@@H](N)C(C)C 238387324 573399584 /nfs/dbraw/zinc/39/95/84/573399584.db2.gz YWHJNWUWHXWRHM-JTQLQIEISA-N 0 3 180.251 1.746 10 0 ADAEHN COC(=O)c1cc2c(cc1C)CNC2 238388582 573399611 /nfs/dbraw/zinc/39/96/11/573399611.db2.gz MSRDUISIKPALHY-UHFFFAOYSA-N 0 3 191.230 1.385 10 0 ADAEHN CC[C@@H](C)[C@H](N)c1ccn(C)n1 86391873 573399704 /nfs/dbraw/zinc/39/97/04/573399704.db2.gz OQKRWNDMTJFERZ-APPZFPTMSA-N 0 3 167.256 1.466 10 0 ADAEHN COc1ccc(OC)c([C@H](C)N)c1N 238387493 573399760 /nfs/dbraw/zinc/39/97/60/573399760.db2.gz NIVHVGXOKSMHLY-LURJTMIESA-N 0 3 196.250 1.306 10 0 ADAEHN N[C@H](CO)c1ccccc1C1CCC1 107177416 573399849 /nfs/dbraw/zinc/39/98/49/573399849.db2.gz FEWCARDIUOIQQJ-GFCCVEGCSA-N 0 3 191.274 1.946 10 0 ADAEHN CC(C)(C)[C@H](F)C(=N)N 259439877 573400012 /nfs/dbraw/zinc/40/00/12/573400012.db2.gz UPCKGUOCOIROGW-SCSAIBSYSA-N 0 3 132.182 1.307 10 0 ADAEHN CC(C)(C[NH3+])C(=O)c1cccc([O-])c1 257810339 573400029 /nfs/dbraw/zinc/40/00/29/573400029.db2.gz AHMUHOPXPVAMFD-UHFFFAOYSA-N 0 3 193.246 1.560 10 0 ADAEHN CC[C@H](C)[C@H](N)c1ccn(C)n1 86391875 573400187 /nfs/dbraw/zinc/40/01/87/573400187.db2.gz OQKRWNDMTJFERZ-CBAPKCEASA-N 0 3 167.256 1.466 10 0 ADAEHN CCCN(Cc1cnc(N)o1)C1CC1 308573924 573400239 /nfs/dbraw/zinc/40/02/39/573400239.db2.gz LRYIMMLDYDRTEX-UHFFFAOYSA-N 0 3 195.266 1.631 10 0 ADAEHN O[C@@H]1CCN[C@@H]1c1ccc(Cl)o1 107173598 573400253 /nfs/dbraw/zinc/40/02/53/573400253.db2.gz VYULWALXSJWKJU-XRGYYRRGSA-N 0 3 187.626 1.328 10 0 ADAEHN COC(=O)C1=C[C@H](C(C)C)N(C)CC1 257810067 573400311 /nfs/dbraw/zinc/40/03/11/573400311.db2.gz ABYFJVGXGCQPPV-SNVBAGLBSA-N 0 3 197.278 1.446 10 0 ADAEHN CCC[C@H](O)[C@@H](N)c1cccc(O)c1 308571381 573400320 /nfs/dbraw/zinc/40/03/20/573400320.db2.gz FEJPHBCDSMFROO-QWRGUYRKSA-N 0 3 195.262 1.553 10 0 ADAEHN CN1CCC[C@H](c2oncc2N)C1 257810279 573400351 /nfs/dbraw/zinc/40/03/51/573400351.db2.gz AJHAATISCHVJMI-ZETCQYMHSA-N 0 3 181.239 1.066 10 0 ADAEHN COC1(c2ccc(Cl)cc2)CNC1 257810310 573400379 /nfs/dbraw/zinc/40/03/79/573400379.db2.gz AFTZMMRHJOKYAI-UHFFFAOYSA-N 0 3 197.665 1.785 10 0 ADAEHN C/C=C/CN[C@@H](C(=O)N(C)C)C(C)C 308574195 573407010 /nfs/dbraw/zinc/40/70/10/573407010.db2.gz CWYHKWZBSXAGGG-VQCYPWCPSA-N 0 3 198.310 1.265 10 0 ADAEHN CCn1c([C@@H](C)N)cnc1Cl 118530138 573406344 /nfs/dbraw/zinc/40/63/44/573406344.db2.gz NUBKAZYAEKHPHB-RXMQYKEDSA-N 0 3 173.647 1.576 10 0 ADAEHN CCCC[C@@H](O)[C@H](N)c1ccncc1 308574538 573406345 /nfs/dbraw/zinc/40/63/45/573406345.db2.gz GPHYQILSGOADHH-GHMZBOCLSA-N 0 3 194.278 1.633 10 0 ADAEHN CC[C@H](O)CNC/C=C/c1ccco1 308576734 573406393 /nfs/dbraw/zinc/40/63/93/573406393.db2.gz DSPSYNXDNGUTKL-GFAPAMAISA-N 0 3 195.262 1.653 10 0 ADAEHN COc1cccc([C@@H](N)[C@@H](C)O)c1C 238389631 573406562 /nfs/dbraw/zinc/40/65/62/573406562.db2.gz OQBCHWHIPILXPR-KCJUWKMLSA-N 0 3 195.262 1.384 10 0 ADAEHN COc1cc2oncc2cc1CN 259441468 573406576 /nfs/dbraw/zinc/40/65/76/573406576.db2.gz OWPBXINJIPHQJA-UHFFFAOYSA-N 0 3 178.191 1.295 10 0 ADAEHN COc1ccc2nc(CN)c(C)n2c1 238380636 573406601 /nfs/dbraw/zinc/40/66/01/573406601.db2.gz SNJZDWZPOMOAJH-UHFFFAOYSA-N 0 3 191.234 1.110 10 0 ADAEHN CC[C@H](O)CNC/C=C\c1ccco1 308576733 573406602 /nfs/dbraw/zinc/40/66/02/573406602.db2.gz DSPSYNXDNGUTKL-ATPLWMGHSA-N 0 3 195.262 1.653 10 0 ADAEHN C[C@H]1CN(c2nccs2)[C@@H](C)CN1 83119092 573406616 /nfs/dbraw/zinc/40/66/16/573406616.db2.gz JQWPPGCVBKYHQY-YUMQZZPRSA-N 0 3 197.307 1.330 10 0 ADAEHN C[C@@H]1C(=O)CC(C)(C)NC1(C)C 238389144 573406619 /nfs/dbraw/zinc/40/66/19/573406619.db2.gz JFFPLONSTKOHBF-SSDOTTSWSA-N 0 3 169.268 1.742 10 0 ADAEHN CCc1cc(CN)nn1C(C)(C)C 257810969 573406712 /nfs/dbraw/zinc/40/67/12/573406712.db2.gz AUCDCFMMBSUHBH-UHFFFAOYSA-N 0 3 181.283 1.659 10 0 ADAEHN CSc1ccc2c(c1)COC[C@@H]2N 238380883 573406715 /nfs/dbraw/zinc/40/67/15/573406715.db2.gz YIRWJPKGTTWADF-JTQLQIEISA-N 0 3 195.287 1.939 10 0 ADAEHN Cn1nccc1[C@H](N)C1CCC1 83121494 573412440 /nfs/dbraw/zinc/41/24/40/573412440.db2.gz NAXPEOXWURCABJ-SECBINFHSA-N 0 3 165.240 1.220 10 0 ADAEHN CN[C@H](c1cn(C)cn1)[C@@H](C)C1CC1 308576827 573412523 /nfs/dbraw/zinc/41/25/23/573412523.db2.gz HVXOGIKNUYKQPB-KWQFWETISA-N 0 3 193.294 1.727 10 0 ADAEHN COc1ccc2[nH]c(N)nc2c1C 238381217 573412581 /nfs/dbraw/zinc/41/25/81/573412581.db2.gz SPEYYHVAZCVJDV-UHFFFAOYSA-N 0 3 177.207 1.462 10 0 ADAEHN COc1c(CN)ccc2[nH]cnc12 238382610 573412626 /nfs/dbraw/zinc/41/26/26/573412626.db2.gz ZTFLYLWDUAPKID-UHFFFAOYSA-N 0 3 177.207 1.030 10 0 ADAEHN CN[C@@H](c1ccc(F)cc1)[C@@H](C)O 259102407 573412661 /nfs/dbraw/zinc/41/26/61/573412661.db2.gz CHKRDPIMZJBSCY-GMSGAONNSA-N 0 3 183.226 1.467 10 0 ADAEHN Nc1ccncc1[C@@H](N)C1CCC1 83121283 573412700 /nfs/dbraw/zinc/41/27/00/573412700.db2.gz AGUFUFGKXYAZRR-JTQLQIEISA-N 0 3 177.251 1.464 10 0 ADAEHN Cc1cc(CNCCCCF)[nH]n1 308384894 573412744 /nfs/dbraw/zinc/41/27/44/573412744.db2.gz SYSFIDDSODFPJL-UHFFFAOYSA-N 0 3 185.246 1.557 10 0 ADAEHN CN[C@H](c1ccc(F)cc1)[C@H](C)O 259102414 573412867 /nfs/dbraw/zinc/41/28/67/573412867.db2.gz CHKRDPIMZJBSCY-XVKPBYJWSA-N 0 3 183.226 1.467 10 0 ADAEHN C[C@H](CN(C)C)OC(=O)C(C)(C)C 308385874 573412888 /nfs/dbraw/zinc/41/28/88/573412888.db2.gz UIKWLNBCKLRUDU-MRVPVSSYSA-N 0 3 187.283 1.526 10 0 ADAEHN CN[C@@H](CO)c1ccc2occc2c1 211753506 573412909 /nfs/dbraw/zinc/41/29/09/573412909.db2.gz DTFGTRYQSNNPOD-JTQLQIEISA-N 0 3 191.230 1.686 10 0 ADAEHN Nc1ncccc1[C@@H](N)C1CCC1 83121710 573412960 /nfs/dbraw/zinc/41/29/60/573412960.db2.gz GESKGYAZEPKJLC-VIFPVBQESA-N 0 3 177.251 1.464 10 0 ADAEHN Clc1cnc([C@H]2CCCCN2)cn1 107188330 573412965 /nfs/dbraw/zinc/41/29/65/573412965.db2.gz AZBBFGWFLHYVPN-SSDOTTSWSA-N 0 3 197.669 1.945 10 0 ADAEHN CNCc1cc(N)ccc1Cl 83119292 573412988 /nfs/dbraw/zinc/41/29/88/573412988.db2.gz RXZVHCPSWUPXOO-UHFFFAOYSA-N 0 3 170.643 1.642 10 0 ADAEHN Cc1cc(Cl)c([C@H](N)O)cc1F 259610973 573413078 /nfs/dbraw/zinc/41/30/78/573413078.db2.gz XLVYWXGLMASPEP-MRVPVSSYSA-N 0 3 189.617 1.737 10 0 ADAEHN CCn1nccc1[C@@H](N)C1CCC1 83121435 573413083 /nfs/dbraw/zinc/41/30/83/573413083.db2.gz GQGWUHXAGYELON-JTQLQIEISA-N 0 3 179.267 1.703 10 0 ADAEHN CCN(C)CCNc1ncc(C)s1 308385253 573413097 /nfs/dbraw/zinc/41/30/97/573413097.db2.gz WMQNIDJOXQOGEZ-UHFFFAOYSA-N 0 3 199.323 1.815 10 0 ADAEHN N[C@@H](c1cnccn1)C1CCC1 83121331 573413101 /nfs/dbraw/zinc/41/31/01/573413101.db2.gz KRJKYUYKUOJQSN-SECBINFHSA-N 0 3 163.224 1.277 10 0 ADAEHN CCOCCn1cncc1[C@H](N)CC 129908531 573417160 /nfs/dbraw/zinc/41/71/60/573417160.db2.gz ADTHRUQYXQPHHQ-SECBINFHSA-N 0 3 197.282 1.329 10 0 ADAEHN COc1ccc([C@H]2OCN[C@H]2C)cc1 238383805 573416565 /nfs/dbraw/zinc/41/65/65/573416565.db2.gz PMILYGDWNGVYIO-KWQFWETISA-N 0 3 193.246 1.702 10 0 ADAEHN CC/C=C/CCN(C)[C@H](C)C(N)=O 308387430 573416619 /nfs/dbraw/zinc/41/66/19/573416619.db2.gz XVSOIFWJMDPESI-VUHVRTRXSA-N 0 3 184.283 1.148 10 0 ADAEHN Cn1ncc2c(CN)c(F)ccc21 259444006 573416729 /nfs/dbraw/zinc/41/67/29/573416729.db2.gz PCADEFXYUCSZHX-UHFFFAOYSA-N 0 3 179.198 1.171 10 0 ADAEHN NCc1nc(Cl)n2ccccc12 258338245 573416770 /nfs/dbraw/zinc/41/67/70/573416770.db2.gz QGVGKVICDKCFTG-UHFFFAOYSA-N 0 3 181.626 1.446 10 0 ADAEHN FCCCCn1cnc2c1CNCC2 308580326 573416805 /nfs/dbraw/zinc/41/68/05/573416805.db2.gz OVIKFUQFBGCRDO-UHFFFAOYSA-N 0 3 197.257 1.279 10 0 ADAEHN CC1(C)CN[C@](C)([C@@H]2CCCCO2)O1 258335951 573416847 /nfs/dbraw/zinc/41/68/47/573416847.db2.gz DWSKQAGLNZGMKH-ONGXEEELSA-N 0 3 199.294 1.670 10 0 ADAEHN C[C@@H](O)[C@@H](C)NCc1cccc(O)c1 308580100 573416901 /nfs/dbraw/zinc/41/69/01/573416901.db2.gz GGENHTCOJUJITE-RKDXNWHRSA-N 0 3 195.262 1.251 10 0 ADAEHN C[C@H]1CC[C@H]1NC(=O)[C@@H](N)CC1CC1 308580045 573417009 /nfs/dbraw/zinc/41/70/09/573417009.db2.gz GEDLJSVQLQTWFU-UJNFCWOMSA-N 0 3 196.294 1.029 10 0 ADAEHN CC(=O)[C@@H](C)N[C@@H]1C=CCCC1 238384462 573419141 /nfs/dbraw/zinc/41/91/41/573419141.db2.gz NJPDWLUZTBPOAG-PSASIEDQSA-N 0 3 167.252 1.662 10 0 ADAEHN CCc1cc([C@@H](C)N)ncn1 107218693 573419154 /nfs/dbraw/zinc/41/91/54/573419154.db2.gz LNLRIUHOLLQXRG-ZCFIWIBFSA-N 0 3 151.213 1.059 10 0 ADAEHN C[C@@H](CO)Oc1ccccc1[C@H](C)N 308568393 573419176 /nfs/dbraw/zinc/41/91/76/573419176.db2.gz ZPQNRWRBGHWDQH-IUCAKERBSA-N 0 3 195.262 1.466 10 0 ADAEHN CN[C@H](c1cncnc1)C1CCC1 83122146 573419177 /nfs/dbraw/zinc/41/91/77/573419177.db2.gz GZCUNQGUVXZKMF-JTQLQIEISA-N 0 3 177.251 1.537 10 0 ADAEHN 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107221614 573424530 /nfs/dbraw/zinc/42/45/30/573424530.db2.gz MEGQWNWLRLDJTD-UHFFFAOYSA-N 0 3 165.240 1.397 10 0 ADAEHN CCc1cc([C@H](C)N)nc(C)n1 107221629 573424544 /nfs/dbraw/zinc/42/45/44/573424544.db2.gz DEUNTTBZVDEAPV-LURJTMIESA-N 0 3 165.240 1.367 10 0 ADAEHN CNCc1ncnc2c(F)cccc12 257811323 573424613 /nfs/dbraw/zinc/42/46/13/573424613.db2.gz BDWRCQNAIFVRRV-UHFFFAOYSA-N 0 3 191.209 1.488 10 0 ADAEHN COc1ccc(CN)c(C(C)C)n1 238390848 573424753 /nfs/dbraw/zinc/42/47/53/573424753.db2.gz VQKZXUDNDDYFRZ-UHFFFAOYSA-N 0 3 180.251 1.672 10 0 ADAEHN C[C@]1(c2nccs2)C[C@H]1N 83144040 573424773 /nfs/dbraw/zinc/42/47/73/573424773.db2.gz SHNIKHLEBJIQMH-VDTYLAMSSA-N 0 3 154.238 1.132 10 0 ADAEHN O=Cc1cc([O-])ccc1[C@@H]1CCC[NH2+]1 258024764 573424774 /nfs/dbraw/zinc/42/47/74/573424774.db2.gz IODQPVMDQFHRQU-NSHDSACASA-N 0 3 191.230 1.629 10 0 ADAEHN CN1CC[C@H](O)[C@H]1c1ccccc1N 257811530 573424951 /nfs/dbraw/zinc/42/49/51/573424951.db2.gz BEKONIOKKAVYGF-WDEREUQCSA-N 0 3 192.262 1.006 10 0 ADAEHN 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/nfs/dbraw/zinc/50/89/65/573508965.db2.gz NSIAGTKKRFXMIZ-KCJUWKMLSA-N 0 3 195.237 1.611 10 0 ADAEHN C/C=C/[C@@H]1N[C@@H](CC)CO1 224212715 573509008 /nfs/dbraw/zinc/50/90/08/573509008.db2.gz GBDFTLFBCUYPAY-IQPYVPGXSA-N 0 3 141.214 1.287 10 0 ADAEHN CC[C@@H](F)CN1CC[C@](O)(CC)C1 308396120 573509013 /nfs/dbraw/zinc/50/90/13/573509013.db2.gz DFADJZAKVGNBKD-NXEZZACHSA-N 0 3 189.274 1.581 10 0 ADAEHN CO[C@H](C)CNC/C=C\c1ccco1 308610028 573509095 /nfs/dbraw/zinc/50/90/95/573509095.db2.gz QLEKZUUKVIELFZ-TZGMSPROSA-N 0 3 195.262 1.917 10 0 ADAEHN O=C1CCC[C@H](N2CCSCC2)C1 86600612 573509109 /nfs/dbraw/zinc/50/91/09/573509109.db2.gz BXANHUBZTLADAK-VIFPVBQESA-N 0 3 199.319 1.547 10 0 ADAEHN COC[C@](C)(N)c1csc(C)c1 83449524 573509110 /nfs/dbraw/zinc/50/91/10/573509110.db2.gz RHHOMIPCTOMTJQ-VIFPVBQESA-N 0 3 185.292 1.877 10 0 ADAEHN CN1CCC[C@H](c2cncc(N)c2)C1 259613457 573509383 /nfs/dbraw/zinc/50/93/83/573509383.db2.gz DTDMBHAMRZMDEC-VIFPVBQESA-N 0 3 191.278 1.473 10 0 ADAEHN 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1.165 10 0 ADAEHN Cc1cccc([C@@H]2CNCCO2)c1C 83471391 573519400 /nfs/dbraw/zinc/51/94/00/573519400.db2.gz REOLRBCOUBDTMV-LBPRGKRZSA-N 0 3 191.274 1.964 10 0 ADAEHN C[C@@]1(C2CCCCC2)CNCCO1 83471101 573519514 /nfs/dbraw/zinc/51/95/14/573519514.db2.gz TZYCTAGZIDSWBJ-NSHDSACASA-N 0 3 183.295 1.945 10 0 ADAEHN Cc1cc2cccc(CN)n2n1 107327413 573519545 /nfs/dbraw/zinc/51/95/45/573519545.db2.gz AJPIILOFBCBEMJ-UHFFFAOYSA-N 0 3 161.208 1.101 10 0 ADAEHN CN[C@H](C)C(=O)CC1(COC)CCC1 308604099 573519591 /nfs/dbraw/zinc/51/95/91/573519591.db2.gz GJKLYSHRNDGDNZ-SECBINFHSA-N 0 3 199.294 1.370 10 0 ADAEHN C[C@@H]1CNC[C@](C)(C2CC2)O1 83471776 573519632 /nfs/dbraw/zinc/51/96/32/573519632.db2.gz NMLQDZMAEGHBQW-VXNVDRBHSA-N 0 3 155.241 1.163 10 0 ADAEHN CN(C1CC1)[C@@H]1CCC(=O)C1 86617838 573519639 /nfs/dbraw/zinc/51/96/39/573519639.db2.gz DEZRJEZFATVAIM-MRVPVSSYSA-N 0 3 153.225 1.202 10 0 ADAEHN C[C@@H]1CNC[C@@H](C2CCCCC2)O1 83471950 573519647 /nfs/dbraw/zinc/51/96/47/573519647.db2.gz KXXGRPKODUDTEQ-KOLCDFICSA-N 0 3 183.295 1.944 10 0 ADAEHN CC(C)[C@@H](CO)N(C)Cc1ccc[nH]1 258734913 573519676 /nfs/dbraw/zinc/51/96/76/573519676.db2.gz FGKACCXPIQQDDE-LLVKDONJSA-N 0 3 196.294 1.463 10 0 ADAEHN N[C@@H]1CCc2oc(C3CC3)nc21 107328384 573519689 /nfs/dbraw/zinc/51/96/89/573519689.db2.gz GLRMQDWBQKPIQK-ZCFIWIBFSA-N 0 3 164.208 1.498 10 0 ADAEHN C[C@@H]1CCC[C@]2(CC1)CNCCO2 83471414 573519699 /nfs/dbraw/zinc/51/96/99/573519699.db2.gz HNCULSLJOZWRNH-MNOVXSKESA-N 0 3 183.295 1.945 10 0 ADAEHN CC[C@@H]1OC(=O)C(C)C(=O)[C@@H]1C 198226331 573519711 /nfs/dbraw/zinc/51/97/11/573519711.db2.gz WENGDWLJTQGDNF-VQVTYTSYSA-N 0 3 170.208 1.163 10 0 ADAEHN C[C@H]1CNC[C@H](C2CCCC2)O1 83471496 573519712 /nfs/dbraw/zinc/51/97/12/573519712.db2.gz QGBPJRJFPUJMAW-WCBMZHEXSA-N 0 3 169.268 1.554 10 0 ADAEHN C[C@H]1CNC[C@H](CC(C)(C)C)O1 83471505 573519734 /nfs/dbraw/zinc/51/97/34/573519734.db2.gz IXCYXOCNZIBXBO-IUCAKERBSA-N 0 3 171.284 1.800 10 0 ADAEHN CC(C)[C@@]1(C)CNC[C@@H](C)O1 83471668 573519765 /nfs/dbraw/zinc/51/97/65/573519765.db2.gz FQHKDUKBFBHKSU-RKDXNWHRSA-N 0 3 157.257 1.409 10 0 ADAEHN COc1nccc(C(F)F)c1CN 238423505 573519777 /nfs/dbraw/zinc/51/97/77/573519777.db2.gz GWVBXQCWXVEBKX-UHFFFAOYSA-N 0 3 188.177 1.487 10 0 ADAEHN C[C@@H]1CSCCN1[C@@H]1CCC(=O)C1 86618561 573519825 /nfs/dbraw/zinc/51/98/25/573519825.db2.gz KLLKVNVJLSUUAN-RKDXNWHRSA-N 0 3 199.319 1.545 10 0 ADAEHN C[C@@H]1CCC[C@]12CNCCO2 83471192 573519832 /nfs/dbraw/zinc/51/98/32/573519832.db2.gz CVYWAKDFJXCFNP-BDAKNGLRSA-N 0 3 155.241 1.165 10 0 ADAEHN C[C@H](N)c1coc(Cc2ccco2)n1 258051285 573532000 /nfs/dbraw/zinc/53/20/00/573532000.db2.gz KXYWEGMQMMTTTQ-ZETCQYMHSA-N 0 3 192.218 1.878 10 0 ADAEHN CN[C@H]1CCc2sc(C)nc21 107331371 573532127 /nfs/dbraw/zinc/53/21/27/573532127.db2.gz IYLKCXSJPXCXQQ-LURJTMIESA-N 0 3 168.265 1.658 10 0 ADAEHN O=C(Cc1ccccc1)[C@@H]1CCN1 257828159 573532206 /nfs/dbraw/zinc/53/22/06/573532206.db2.gz IFUOXQRFFCBPOA-JTQLQIEISA-N 0 3 175.231 1.160 10 0 ADAEHN COC1(c2ccccc2C)CNC1 257828140 573532329 /nfs/dbraw/zinc/53/23/29/573532329.db2.gz IEJBUKXDOOLEBQ-UHFFFAOYSA-N 0 3 177.247 1.440 10 0 ADAEHN N[C@@H]1C[C@@H](O)c2ccsc21 211888512 573532345 /nfs/dbraw/zinc/53/23/45/573532345.db2.gz VJFPLMLOLVRUFO-PHDIDXHHSA-N 0 3 155.222 1.185 10 0 ADAEHN C[C@@H](N)C1=CCC(=O)S1 238429401 573532377 /nfs/dbraw/zinc/53/23/77/573532377.db2.gz RLDHFFDKRZPUOM-SCSAIBSYSA-N 0 3 143.211 1.473 10 0 ADAEHN OC[C@@]1(c2ccncc2)CCCCN1 258051982 573532390 /nfs/dbraw/zinc/53/23/90/573532390.db2.gz IJHKXLYWCACVDU-LLVKDONJSA-N 0 3 192.262 1.043 10 0 ADAEHN N[C@@H]1CC[C@H]2Cc3c(O)cccc3N12 257828509 573532454 /nfs/dbraw/zinc/53/24/54/573532454.db2.gz IJYWGVMGEJJFOZ-CPCISQLKSA-N 0 3 190.246 1.202 10 0 ADAEHN Cc1cc(C(=N)N)ncc1Cl 107332198 573532465 /nfs/dbraw/zinc/53/24/65/573532465.db2.gz MGCOESYESQSKSZ-UHFFFAOYSA-N 0 3 169.615 1.327 10 0 ADAEHN C[C@@H]([C@@H](O)c1ccncc1)N(C)C 238430014 573532487 /nfs/dbraw/zinc/53/24/87/573532487.db2.gz HBOIPODMVIBUPR-WCBMZHEXSA-N 0 3 180.251 1.065 10 0 ADAEHN 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IWOPHDQDPVGYNO-UHFFFAOYSA-N 0 3 175.235 1.340 10 0 ADAEHN C[NH2+]CCc1cc(C)cc(F)c1[O-] 107345586 573536961 /nfs/dbraw/zinc/53/69/61/573536961.db2.gz GAOCPAGNPKYWQR-UHFFFAOYSA-N 0 3 183.226 1.602 10 0 ADAEHN CNCc1cnc2c(F)cccn12 107338322 573537015 /nfs/dbraw/zinc/53/70/15/573537015.db2.gz JFCKMZIWMGCZCM-UHFFFAOYSA-N 0 3 179.198 1.193 10 0 ADAEHN CN[C@@H](CNC1CC1)c1ccccn1 259492296 573537076 /nfs/dbraw/zinc/53/70/76/573537076.db2.gz RJGCIMATFXKRLI-NSHDSACASA-N 0 3 191.278 1.094 10 0 ADAEHN COc1cc(C)c([C@@H](N)O)c(C)c1C 259495407 573537111 /nfs/dbraw/zinc/53/71/11/573537111.db2.gz QNRIPJWBKUAUKP-NSHDSACASA-N 0 3 195.262 1.570 10 0 ADAEHN NC1(c2cc(C3CCC3)n[nH]2)CC1 257829469 573537199 /nfs/dbraw/zinc/53/71/99/573537199.db2.gz IXIZJMYPODFLMH-UHFFFAOYSA-N 0 3 177.251 1.625 10 0 ADAEHN COCCc1ncc2ccc(N)cn12 258053457 573537204 /nfs/dbraw/zinc/53/72/04/573537204.db2.gz UAXWPBDFVQBGRG-UHFFFAOYSA-N 0 3 191.234 1.105 10 0 ADAEHN CCCc1cc([C@H](C)NC)nn1C 257829406 573537287 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259494957 573537749 /nfs/dbraw/zinc/53/77/49/573537749.db2.gz ROVRJUGYOYLYJQ-SECBINFHSA-N 0 3 169.199 1.344 10 0 ADAEHN CNCc1cc(F)cc(C)c1OC 107345568 573537807 /nfs/dbraw/zinc/53/78/07/573537807.db2.gz XCHSXYWZSOEJGL-UHFFFAOYSA-N 0 3 183.226 1.862 10 0 ADAEHN C[C@H](N)c1cccc(F)c1CO 238431123 573537946 /nfs/dbraw/zinc/53/79/46/573537946.db2.gz OGQBYQMUGGFCPB-LURJTMIESA-N 0 3 169.199 1.338 10 0 ADAEHN COC[C@@H]1Cc2cc(O)ccc2CN1 257829244 573538011 /nfs/dbraw/zinc/53/80/11/573538011.db2.gz IRDWXSFTSDPGNH-JTQLQIEISA-N 0 3 193.246 1.053 10 0 ADAEHN CN[C@H](CNC1CC1)c1ccccn1 259492294 573538056 /nfs/dbraw/zinc/53/80/56/573538056.db2.gz RJGCIMATFXKRLI-LLVKDONJSA-N 0 3 191.278 1.094 10 0 ADAEHN CC(C)N1CCC[C@@H]1[C@H]1N[C@H](C)CO1 258761356 573538063 /nfs/dbraw/zinc/53/80/63/573538063.db2.gz WSPKHQFBHDDZBI-MXWKQRLJSA-N 0 3 198.310 1.194 10 0 ADAEHN C[C@@]([NH3+])(CCO)c1cc([O-])cc(F)c1 238430787 573538305 /nfs/dbraw/zinc/53/83/05/573538305.db2.gz HNGXCKRJNOEKCG-SNVBAGLBSA-N 0 3 199.225 1.088 10 0 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3 199.225 1.544 10 0 ADAEHN Cc1cccc2c1N1[C@@H](CC[C@@H]1N)C2 257825272 573546646 /nfs/dbraw/zinc/54/66/46/573546646.db2.gz HCUSEHQEYGTDQU-WDEREUQCSA-N 0 3 188.274 1.805 10 0 ADAEHN Cc1noc(N)c1[C@H]1CCCN(C)C1 257825383 573546660 /nfs/dbraw/zinc/54/66/60/573546660.db2.gz HFTQOZZFBYMMQU-QMMMGPOBSA-N 0 3 195.266 1.374 10 0 ADAEHN Cc1cccc2c1N1[C@H](N)CC[C@H]1C2 257825271 573546711 /nfs/dbraw/zinc/54/67/11/573546711.db2.gz HCUSEHQEYGTDQU-QWRGUYRKSA-N 0 3 188.274 1.805 10 0 ADAEHN C/C=C\CCNCc1cnc(C)nc1 308626373 573546721 /nfs/dbraw/zinc/54/67/21/573546721.db2.gz WQQXCNLGTWLDSN-ARJAWSKDSA-N 0 3 191.278 1.841 10 0 ADAEHN COc1[nH]ccc1[C@@H]1CCCCN1 238436579 573546783 /nfs/dbraw/zinc/54/67/83/573546783.db2.gz LMWBTYYFMIGFLR-VIFPVBQESA-N 0 3 180.251 1.838 10 0 ADAEHN C/C=C/CCNCc1cnc(C)nc1 308626374 573546790 /nfs/dbraw/zinc/54/67/90/573546790.db2.gz WQQXCNLGTWLDSN-ONEGZZNKSA-N 0 3 191.278 1.841 10 0 ADAEHN C[C@H](N)c1csc(F)c1 238436261 573546809 /nfs/dbraw/zinc/54/68/09/573546809.db2.gz MNEDYHCNCVQUMV-BYPYZUCNSA-N 0 3 145.202 1.907 10 0 ADAEHN C[C@H](N)c1cocc1F 238436175 573546833 /nfs/dbraw/zinc/54/68/33/573546833.db2.gz PJFLFBQZSPZXPV-BYPYZUCNSA-N 0 3 129.134 1.438 10 0 ADAEHN CC(C)CN1C[C@@H](C)CNCCC1=O 259503142 573546869 /nfs/dbraw/zinc/54/68/69/573546869.db2.gz TVIQIPQASUYJOJ-JTQLQIEISA-N 0 3 198.310 1.100 10 0 ADAEHN CCNCc1cc(OC)c(CC)cn1 238262992 573550197 /nfs/dbraw/zinc/55/01/97/573550197.db2.gz QUMUPGZUJKJCBR-UHFFFAOYSA-N 0 3 194.278 1.762 10 0 ADAEHN NCc1cnoc1C1CCOCC1 257826041 573549577 /nfs/dbraw/zinc/54/95/77/573549577.db2.gz HKSMKUHGDXRCCA-UHFFFAOYSA-N 0 3 182.223 1.027 10 0 ADAEHN CC(C)CN1C[C@H](C)CNCCC1=O 259503145 573549580 /nfs/dbraw/zinc/54/95/80/573549580.db2.gz TVIQIPQASUYJOJ-SNVBAGLBSA-N 0 3 198.310 1.100 10 0 ADAEHN NC[C@@]1(F)CCc2ccc(F)cc2C1 257826194 573549616 /nfs/dbraw/zinc/54/96/16/573549616.db2.gz HKSPXEOZZYNYAS-LLVKDONJSA-N 0 3 197.228 1.981 10 0 ADAEHN C[C@H](O)[C@H](F)[C@H]1CCCN(C)C1 257826001 573549640 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257837019 573610354 /nfs/dbraw/zinc/61/03/54/573610354.db2.gz LERLRFCEVCWZMT-UHFFFAOYSA-N 0 3 179.267 1.871 10 0 ADAEHN Cc1nccc(C2CCN(C)CC2)n1 259526843 573610391 /nfs/dbraw/zinc/61/03/91/573610391.db2.gz NBDSBFGGAJATRC-UHFFFAOYSA-N 0 3 191.278 1.594 10 0 ADAEHN CCN1CCC[C@@H]1c1cc(N)no1 258411325 573611121 /nfs/dbraw/zinc/61/11/21/573611121.db2.gz DEDFZISBRXATBE-SSDOTTSWSA-N 0 3 181.239 1.414 10 0 ADAEHN N[C@@H](c1ccoc1)[C@H]1CCCOC1 83721300 573611179 /nfs/dbraw/zinc/61/11/79/573611179.db2.gz XHXZFKWAWMVRNQ-WCBMZHEXSA-N 0 3 181.235 1.706 10 0 ADAEHN Cn1ccc(Nc2cc(N)ccn2)n1 86778968 573611244 /nfs/dbraw/zinc/61/12/44/573611244.db2.gz KJAKKBBMWQFVEQ-UHFFFAOYSA-N 0 3 189.222 1.141 10 0 ADAEHN COc1ccc(CN(C)CN)cc1 258823258 573611290 /nfs/dbraw/zinc/61/12/90/573611290.db2.gz GKHCFFKCYZQXKL-UHFFFAOYSA-N 0 3 180.251 1.043 10 0 ADAEHN CC(C)C1(C[C@H]2COCCN2)COC1 258504658 573611389 /nfs/dbraw/zinc/61/13/89/573611389.db2.gz FHLOFGIYCGRBID-JTQLQIEISA-N 0 3 199.294 1.038 10 0 ADAEHN N[C@@H](c1ccoc1)[C@@H]1CCCOC1 83721296 573611453 /nfs/dbraw/zinc/61/14/53/573611453.db2.gz XHXZFKWAWMVRNQ-PSASIEDQSA-N 0 3 181.235 1.706 10 0 ADAEHN CN[C@H](CNC1CC1)c1ccc(C)o1 259528172 573611477 /nfs/dbraw/zinc/61/14/77/573611477.db2.gz UNSDFLSMLPZDNW-SNVBAGLBSA-N 0 3 194.278 1.601 10 0 ADAEHN C[C@H]1CN[C@@H](Cc2cccs2)O1 258821294 573611515 /nfs/dbraw/zinc/61/15/15/573611515.db2.gz YSJLCEUGMMXTBU-IONNQARKSA-N 0 3 183.276 1.625 10 0 ADAEHN C[C@@H]1CN[C@H](Cc2cccs2)O1 258821288 573611663 /nfs/dbraw/zinc/61/16/63/573611663.db2.gz YSJLCEUGMMXTBU-APPZFPTMSA-N 0 3 183.276 1.625 10 0 ADAEHN C/C=C\COc1cnc(CNC)cn1 308408368 573622940 /nfs/dbraw/zinc/62/29/40/573622940.db2.gz WVPZLICAESFEMA-ARJAWSKDSA-N 0 3 193.250 1.151 10 0 ADAEHN CC[C@@](C)(N)C(=O)N1CCC[C@@H]1C 86803883 573622958 /nfs/dbraw/zinc/62/29/58/573622958.db2.gz LUDOXTAHPQRFCL-WCBMZHEXSA-N 0 3 184.283 1.125 10 0 ADAEHN CC(C)CCCCN1CC[C@H](N)C1=O 147569661 573622424 /nfs/dbraw/zinc/62/24/24/573622424.db2.gz MONUTJJGYAGCOL-JTQLQIEISA-N 0 3 198.310 1.372 10 0 ADAEHN CCCc1c[nH]c(C(C)(C)NC)n1 259131637 573622450 /nfs/dbraw/zinc/62/24/50/573622450.db2.gz QXMUOCLAHZWFIM-UHFFFAOYSA-N 0 3 181.283 1.817 10 0 ADAEHN OC[C@H]1CC[C@@H](c2ccco2)NC1 107459799 573622510 /nfs/dbraw/zinc/62/25/10/573622510.db2.gz IKMBHDRHMOJADZ-IUCAKERBSA-N 0 3 181.235 1.313 10 0 ADAEHN C[C@H](CF)NC[C@@H](O)c1ccccc1 308644814 573622574 /nfs/dbraw/zinc/62/25/74/573622574.db2.gz GZIUDBZXXJHKOT-MWLCHTKSSA-N 0 3 197.253 1.668 10 0 ADAEHN C[C@H]1[C@@H](c2ccccc2)NCCN1C 107462275 573622600 /nfs/dbraw/zinc/62/26/00/573622600.db2.gz WYMVCYMGIWEEFN-JQWIXIFHSA-N 0 3 190.290 1.651 10 0 ADAEHN CN1CCN[C@@H]2Cc3ccccc3[C@@H]21 107461965 573622634 /nfs/dbraw/zinc/62/26/34/573622634.db2.gz FPZUOKSUDYKYBA-NEPJUHHUSA-N 0 3 188.274 1.187 10 0 ADAEHN OC[C@@H]1CC[C@H](c2ccco2)NC1 107459805 573622657 /nfs/dbraw/zinc/62/26/57/573622657.db2.gz IKMBHDRHMOJADZ-RKDXNWHRSA-N 0 3 181.235 1.313 10 0 ADAEHN Cn1nc(CN)cc1[C@@H]1CCCCO1 257837970 573622782 /nfs/dbraw/zinc/62/27/82/573622782.db2.gz LFRIERPGKMWXCK-JTQLQIEISA-N 0 3 195.266 1.120 10 0 ADAEHN CCCCC[C@@H](N)c1cn(C)nn1 393543096 573622796 /nfs/dbraw/zinc/62/27/96/573622796.db2.gz NWTVZZVIGLWSCA-MRVPVSSYSA-N 0 3 182.271 1.395 10 0 ADAEHN C[C@@H]1[C@@H](c2ccccc2)NCCN1C 107462273 573622801 /nfs/dbraw/zinc/62/28/01/573622801.db2.gz WYMVCYMGIWEEFN-PWSUYJOCSA-N 0 3 190.290 1.651 10 0 ADAEHN CC(C)C1(C[C@@H]2CNCCO2)COC1 258823624 573622829 /nfs/dbraw/zinc/62/28/29/573622829.db2.gz YWPOIKNBAJVFCX-SNVBAGLBSA-N 0 3 199.294 1.038 10 0 ADAEHN CCC[C@@H](C)NC(=O)[C@](C)(N)CC 86800962 573622856 /nfs/dbraw/zinc/62/28/56/573622856.db2.gz QYRYYEUOFIKWNJ-PSASIEDQSA-N 0 3 186.299 1.419 10 0 ADAEHN CNC(C)(C)[C@H](F)Cc1ccncc1 308660582 573628855 /nfs/dbraw/zinc/62/88/55/573628855.db2.gz POLZAPHFVIFEIZ-SNVBAGLBSA-N 0 3 196.269 1.960 10 0 ADAEHN Cc1oncc1[C@H]1CC[C@@H](CO)CN1 107463850 573628882 /nfs/dbraw/zinc/62/88/82/573628882.db2.gz FXWNAQLDEBGOJV-PSASIEDQSA-N 0 3 196.250 1.016 10 0 ADAEHN OC[C@@H]1CCN[C@H](c2cccnc2)C1 107462807 573628897 /nfs/dbraw/zinc/62/88/97/573628897.db2.gz JFLQCVWYHSUSJD-KOLCDFICSA-N 0 3 192.262 1.115 10 0 ADAEHN COC[C@@H](N)c1cncc(C)c1 96554626 573628914 /nfs/dbraw/zinc/62/89/14/573628914.db2.gz LPDRCGZHKIEILC-SECBINFHSA-N 0 3 166.224 1.036 10 0 ADAEHN OC[C@@H]1CCN[C@@H](c2ccncc2)C1 107462800 573628936 /nfs/dbraw/zinc/62/89/36/573628936.db2.gz AMMLTQPKJKZDEJ-MWLCHTKSSA-N 0 3 192.262 1.115 10 0 ADAEHN OC[C@@H]1CCCN[C@H]1c1ccccn1 107462786 573629009 /nfs/dbraw/zinc/62/90/09/573629009.db2.gz YTBDJDXQQUWQFE-GXSJLCMTSA-N 0 3 192.262 1.115 10 0 ADAEHN C1COC[C@H](CCC2CCOCC2)N1 259132933 573629030 /nfs/dbraw/zinc/62/90/30/573629030.db2.gz MSUNYNPJWGVEMU-NSHDSACASA-N 0 3 199.294 1.182 10 0 ADAEHN OC[C@H]1CCCN[C@H]1c1ccncc1 107462782 573629067 /nfs/dbraw/zinc/62/90/67/573629067.db2.gz DOYDXPCGJUJZTE-MNOVXSKESA-N 0 3 192.262 1.115 10 0 ADAEHN OC[C@H]1CC[C@H](c2cccnc2)NC1 107462764 573629109 /nfs/dbraw/zinc/62/91/09/573629109.db2.gz 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/nfs/dbraw/zinc/62/94/48/573629448.db2.gz WGYTXPJHQMZPFI-YUMQZZPRSA-N 0 3 198.291 1.176 10 0 ADAEHN Clc1ncc(O[C@H]2CCCN2)cn1 258825211 573629471 /nfs/dbraw/zinc/62/94/71/573629471.db2.gz YYOOJIZYSMTVBO-ZETCQYMHSA-N 0 3 199.641 1.218 10 0 ADAEHN Cc1cccc2c1CN(C)C2 148196665 573629509 /nfs/dbraw/zinc/62/95/09/573629509.db2.gz KSBJIQAPBZOPDL-UHFFFAOYSA-N 0 3 147.221 1.940 10 0 ADAEHN OC[C@@H]1CCCN[C@H]1c1cccnc1 107462793 573629558 /nfs/dbraw/zinc/62/95/58/573629558.db2.gz LNSABINVBVTDEB-QWRGUYRKSA-N 0 3 192.262 1.115 10 0 ADAEHN CCC(N)(CC)c1nnc2n1CCC2 86811490 573632153 /nfs/dbraw/zinc/63/21/53/573632153.db2.gz BLGPKEPJIZHUGZ-UHFFFAOYSA-N 0 3 194.282 1.198 10 0 ADAEHN C[C@H](F)C[C@@H]1CCN(C)C[C@H]1CO 259538332 573632309 /nfs/dbraw/zinc/63/23/09/573632309.db2.gz BOBNSVKWWPMUJC-GUBZILKMSA-N 0 3 189.274 1.295 10 0 ADAEHN Cc1ncc(C(F)F)c(CN)c1F 238460128 573632313 /nfs/dbraw/zinc/63/23/13/573632313.db2.gz ALEMGOPWYUVCIT-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN CC(C)[C@H](C1CCCC1)[C@@H](N)C(N)=O 215296763 573632476 /nfs/dbraw/zinc/63/24/76/573632476.db2.gz NYLAZOFWDCAXSE-NXEZZACHSA-N 0 3 198.310 1.261 10 0 ADAEHN C[C@H]1CC[C@H](c2nc(CN)n[nH]2)C1 83790531 573632552 /nfs/dbraw/zinc/63/25/52/573632552.db2.gz RENKJHFRXHWDHG-BQBZGAKWSA-N 0 3 180.255 1.167 10 0 ADAEHN C[C@H]1CC[C@H](c2nnc(C[NH3+])[n-]2)C1 83790531 573632556 /nfs/dbraw/zinc/63/25/56/573632556.db2.gz RENKJHFRXHWDHG-BQBZGAKWSA-N 0 3 180.255 1.167 10 0 ADAEHN C[C@@H]1CC[C@@H](c2nc(CN)n[nH]2)C1 83790533 573632620 /nfs/dbraw/zinc/63/26/20/573632620.db2.gz RENKJHFRXHWDHG-RNFRBKRXSA-N 0 3 180.255 1.167 10 0 ADAEHN C[C@@H]1CC[C@@H](c2nnc(C[NH3+])[n-]2)C1 83790533 573632624 /nfs/dbraw/zinc/63/26/24/573632624.db2.gz RENKJHFRXHWDHG-RNFRBKRXSA-N 0 3 180.255 1.167 10 0 ADAEHN C[C@@H]1CC[C@H](CNCc2ccoc2)O1 130632000 573632708 /nfs/dbraw/zinc/63/27/08/573632708.db2.gz HROVLGYRBCYCDJ-MWLCHTKSSA-N 0 3 195.262 1.937 10 0 ADAEHN Cc1c(C(F)F)cc(F)nc1CN 238454818 573632780 /nfs/dbraw/zinc/63/27/80/573632780.db2.gz HKGKMFHBMCGBBQ-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN C[C@H]1CC[C@@H](c2nccc(CN)n2)C1 83790243 573632884 /nfs/dbraw/zinc/63/28/84/573632884.db2.gz SCTMOICCWUGHAW-DTWKUNHWSA-N 0 3 191.278 1.839 10 0 ADAEHN C1CC(CC[C@@H]2CNCCO2)C1 259143810 573632890 /nfs/dbraw/zinc/63/28/90/573632890.db2.gz HXWQTFMRQMYLFC-SNVBAGLBSA-N 0 3 169.268 1.555 10 0 ADAEHN CCc1cccnc1[C@@H](C)N 96554654 573632907 /nfs/dbraw/zinc/63/29/07/573632907.db2.gz XSEQADJCVVCILT-SSDOTTSWSA-N 0 3 150.225 1.664 10 0 ADAEHN C[C@H]1C[C@@H]1Nc1ccc(N)c(N)n1 86829922 573638033 /nfs/dbraw/zinc/63/80/33/573638033.db2.gz WOCKVPKYOVLXEW-FSPLSTOPSA-N 0 3 178.239 1.066 10 0 ADAEHN OC[C@@H]1CNCc2cc(Cl)ccc21 257845093 573638117 /nfs/dbraw/zinc/63/81/17/573638117.db2.gz NLVMTZUIWIDAPQ-QMMMGPOBSA-N 0 3 197.665 1.519 10 0 ADAEHN CNc1ncc(C2CCN(C)CC2)o1 259144799 573638132 /nfs/dbraw/zinc/63/81/32/573638132.db2.gz MNEZJRACQIWMGK-UHFFFAOYSA-N 0 3 195.266 1.526 10 0 ADAEHN CN(CC1CC1)c1ccc(N)c(N)n1 86829769 573638147 /nfs/dbraw/zinc/63/81/47/573638147.db2.gz RDHNMELNPQJMQR-UHFFFAOYSA-N 0 3 192.266 1.092 10 0 ADAEHN CN1CCC[C@@H](Cc2oncc2N)C1 259145757 573638183 /nfs/dbraw/zinc/63/81/83/573638183.db2.gz HLQUQAKCUXELSD-QMMMGPOBSA-N 0 3 195.266 1.141 10 0 ADAEHN Cc1cccnc1[C@@H]1CCNC[C@@H]1F 238460808 573638189 /nfs/dbraw/zinc/63/81/89/573638189.db2.gz HPGPUZAIVZTGBQ-ZJUUUORDSA-N 0 3 194.253 1.805 10 0 ADAEHN CC[C@H](C)Nc1ccc(N)c(N)n1 86829597 573638191 /nfs/dbraw/zinc/63/81/91/573638191.db2.gz IIUBORNMLAIWKL-LURJTMIESA-N 0 3 180.255 1.456 10 0 ADAEHN CC(C)=C[C@@H]1NCCN[C@H]1C=C(C)C 75597209 573638205 /nfs/dbraw/zinc/63/82/05/573638205.db2.gz LAZWTQBRBSMNMI-RYUDHWBXSA-N 0 3 194.322 1.849 10 0 ADAEHN Cc1ccnc([C@H](C)N[C@@H](C)CO)c1 308651694 573638257 /nfs/dbraw/zinc/63/82/57/573638257.db2.gz KXAHXXGYKLIQTG-UWVGGRQHSA-N 0 3 194.278 1.421 10 0 ADAEHN CC[C@H](C)CNc1ccc(N)c(N)n1 86829935 573638268 /nfs/dbraw/zinc/63/82/68/573638268.db2.gz UMNPHMFGSQHNOT-ZETCQYMHSA-N 0 3 194.282 1.704 10 0 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NLGSCLMRFJHCHU-VIFPVBQESA-N 0 3 196.250 1.683 10 0 ADAEHN NCc1cc(Cc2cccs2)n[nH]1 257845134 573638680 /nfs/dbraw/zinc/63/86/80/573638680.db2.gz AABHYDNRDIWDJN-UHFFFAOYSA-N 0 3 193.275 1.521 10 0 ADAEHN Nc1ccc(NCC2CC2)nc1N 86829605 573638719 /nfs/dbraw/zinc/63/87/19/573638719.db2.gz YAFXVQLHXHMQAB-UHFFFAOYSA-N 0 3 178.239 1.068 10 0 ADAEHN Cc1ccnc([C@H](C)NCCCO)c1 308652872 573638801 /nfs/dbraw/zinc/63/88/01/573638801.db2.gz LYSUNUWSMSDESQ-JTQLQIEISA-N 0 3 194.278 1.423 10 0 ADAEHN NCc1nocc1-c1ccc(F)cc1 257845350 573638830 /nfs/dbraw/zinc/63/88/30/573638830.db2.gz PSBJXLSVPSHKBL-UHFFFAOYSA-N 0 3 192.193 1.939 10 0 ADAEHN CNC[C@@H](F)c1cccc(OC)c1 257845494 573638895 /nfs/dbraw/zinc/63/88/95/573638895.db2.gz PZHSJWJXBRZHFJ-SNVBAGLBSA-N 0 3 183.226 1.925 10 0 ADAEHN CC(C)(C)CNc1ccc(N)c(N)n1 86829772 573638931 /nfs/dbraw/zinc/63/89/31/573638931.db2.gz LRFKCGPOVCJNGP-UHFFFAOYSA-N 0 3 194.282 1.704 10 0 ADAEHN CCN(c1ccc(N)c(N)n1)C(C)C 86829662 573638948 /nfs/dbraw/zinc/63/89/48/573638948.db2.gz SDBPBLARQDFCGI-UHFFFAOYSA-N 0 3 194.282 1.481 10 0 ADAEHN CCc1nc([C@H](C)NC)cn1CC 393586430 573638959 /nfs/dbraw/zinc/63/89/59/573638959.db2.gz ULTPPKYAWRRYRI-QMMMGPOBSA-N 0 3 181.283 1.746 10 0 ADAEHN C1CCC(CC[C@@H]2COCCN2)C1 259145125 573638989 /nfs/dbraw/zinc/63/89/89/573638989.db2.gz NMYOTGYSCYYLBZ-LLVKDONJSA-N 0 3 183.295 1.945 10 0 ADAEHN C[C@@H]1C[C@H]1Nc1ccc(N)c(N)n1 86829923 573639010 /nfs/dbraw/zinc/63/90/10/573639010.db2.gz WOCKVPKYOVLXEW-IYSWYEEDSA-N 0 3 178.239 1.066 10 0 ADAEHN CCCN1CC(NCc2ccc[nH]2)C1 393644177 573639161 /nfs/dbraw/zinc/63/91/61/573639161.db2.gz SHSUTNILFIGVFC-UHFFFAOYSA-N 0 3 193.294 1.199 10 0 ADAEHN CCCN(C)c1ccc(N)c(N)n1 86829669 573639174 /nfs/dbraw/zinc/63/91/74/573639174.db2.gz BVBHJEMHOMIDQD-UHFFFAOYSA-N 0 3 180.255 1.092 10 0 ADAEHN C[C@H]1CN(C)Cc2cc(N)cnc21 238461707 573639202 /nfs/dbraw/zinc/63/92/02/573639202.db2.gz BHYAMCWHHJZSFT-ZETCQYMHSA-N 0 3 177.251 1.213 10 0 ADAEHN CCC[C@H]1CCN(C)C[C@H]1C(=O)OC 257845406 573639215 /nfs/dbraw/zinc/63/92/15/573639215.db2.gz LHAOGNPENXXLGT-VHSXEESVSA-N 0 3 199.294 1.527 10 0 ADAEHN Nc1ccc(NCCC2CC2)nc1N 86830068 573639217 /nfs/dbraw/zinc/63/92/17/573639217.db2.gz MEJQYSVMIBYOSZ-UHFFFAOYSA-N 0 3 192.266 1.458 10 0 ADAEHN Cc1cccnc1[C@H]1CCNC[C@@H]1F 238461877 573639231 /nfs/dbraw/zinc/63/92/31/573639231.db2.gz HPGPUZAIVZTGBQ-UWVGGRQHSA-N 0 3 194.253 1.805 10 0 ADAEHN CN1CCC[C@@H](c2csc(=O)[nH]2)C1 259144655 573639278 /nfs/dbraw/zinc/63/92/78/573639278.db2.gz HTITYCRMDKDOPK-SSDOTTSWSA-N 0 3 198.291 1.658 10 0 ADAEHN CSCCNc1ccc(N)c(N)n1 86829994 573639336 /nfs/dbraw/zinc/63/93/36/573639336.db2.gz ORPBRHRYVIGBDI-UHFFFAOYSA-N 0 3 198.295 1.021 10 0 ADAEHN C[C@@H]1C[C@@H]1c1nc2c(s1)CNCC2 83810368 573656234 /nfs/dbraw/zinc/65/62/34/573656234.db2.gz GCLKAWQYHVENIB-RQJHMYQMSA-N 0 3 194.303 1.912 10 0 ADAEHN C/C=C\CN1CCC[C@@H]2OCC[C@@H]21 686248011 573656247 /nfs/dbraw/zinc/65/62/47/573656247.db2.gz FYFAXPQEPOXCIO-NPRAVPSUSA-N 0 3 181.279 1.816 10 0 ADAEHN 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Cc1cc(CN(C)CN)ccc1F 258846434 573656641 /nfs/dbraw/zinc/65/66/41/573656641.db2.gz INXQGBZNDKWMGU-UHFFFAOYSA-N 0 3 182.242 1.482 10 0 ADAEHN CC1(C)CO[C@@](C)([C@@H]2CCCCO2)N1 258505736 573656642 /nfs/dbraw/zinc/65/66/42/573656642.db2.gz MJTHBZIFBDSPMP-ONGXEEELSA-N 0 3 199.294 1.670 10 0 ADAEHN C[C@H](O)/C=C1\C2CCN(CC2)C12CC2 716069407 573656700 /nfs/dbraw/zinc/65/67/00/573656700.db2.gz QUHBSGIIGAFQQX-OHMLCJAVSA-N 0 3 193.290 1.552 10 0 ADAEHN Cc1cc(CN)nc([C@H]2C[C@@H]2C)n1 83810465 573656715 /nfs/dbraw/zinc/65/67/15/573656715.db2.gz GRNFRMSYFPLLLJ-RCOVLWMOSA-N 0 3 177.251 1.367 10 0 ADAEHN Cc1ccc(O)c2c1[C@@H](N)CO2 238458924 573656722 /nfs/dbraw/zinc/65/67/22/573656722.db2.gz YXWKMARUABSKMZ-LURJTMIESA-N 0 3 165.192 1.093 10 0 ADAEHN FCOc1ccc2c(c1)CNC2 258083643 573656745 /nfs/dbraw/zinc/65/67/45/573656745.db2.gz QZKXQSCLSVSFJV-UHFFFAOYSA-N 0 3 167.183 1.596 10 0 ADAEHN CNC[C@@H](F)c1ccccc1OC 257841758 573656754 /nfs/dbraw/zinc/65/67/54/573656754.db2.gz OKXIGXMQPYPOEX-SECBINFHSA-N 0 3 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C[C@@H]1CNC[C@H](c2ccccn2)N1C 108301929 573744623 /nfs/dbraw/zinc/74/46/23/573744623.db2.gz IKVKRTXSJLGVQU-MWLCHTKSSA-N 0 3 191.278 1.046 10 0 ADAEHN C[C@H]1Nc2ccncc2-n2cncc21 238501568 573744642 /nfs/dbraw/zinc/74/46/42/573744642.db2.gz PUCLZDAQDJHBQD-SSDOTTSWSA-N 0 3 186.218 1.754 10 0 ADAEHN CN(CN)Cc1ccc(Cl)s1 258900931 573744662 /nfs/dbraw/zinc/74/46/62/573744662.db2.gz ODJKSMSWQLULCV-UHFFFAOYSA-N 0 3 190.699 1.750 10 0 ADAEHN Cc1cc(C)c2ncc(N)n2c1 238500651 573744725 /nfs/dbraw/zinc/74/47/25/573744725.db2.gz JJJJRULNQSTVAZ-UHFFFAOYSA-N 0 3 161.208 1.533 10 0 ADAEHN Cc1nn(C)c([C@@H](F)CN)c1Cl 108302015 573744752 /nfs/dbraw/zinc/74/47/52/573744752.db2.gz STRJCVUPGUGHNT-YFKPBYRVSA-N 0 3 191.637 1.351 10 0 ADAEHN CN1CCN=C1c1ccccc1C=O 108299993 573744792 /nfs/dbraw/zinc/74/47/92/573744792.db2.gz JZVPELXVWCOSLW-UHFFFAOYSA-N 0 3 188.230 1.191 10 0 ADAEHN COc1ccc([C@H](F)CN)c(F)c1 108299307 573744868 /nfs/dbraw/zinc/74/48/68/573744868.db2.gz WCZCMIROPDPHSM-SECBINFHSA-N 0 3 187.189 1.804 10 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1.903 10 0 ADAEHN C[C@@H]1CC[C@@H](C)N(C(=O)C(C)(C)N)C1 84048702 573746012 /nfs/dbraw/zinc/74/60/12/573746012.db2.gz PUBVMNQHTALBEL-RKDXNWHRSA-N 0 3 198.310 1.371 10 0 ADAEHN COc1cc([C@@H](F)CN)ccc1O 108297792 573746017 /nfs/dbraw/zinc/74/60/17/573746017.db2.gz PFNGWVYXXXCLKO-ZETCQYMHSA-N 0 3 185.198 1.370 10 0 ADAEHN Cc1ccsc1[C@]1(O)CCN(C)C1 87020616 573746038 /nfs/dbraw/zinc/74/60/38/573746038.db2.gz RRKQWNYBMWZKPV-JTQLQIEISA-N 0 3 197.303 1.580 10 0 ADAEHN NCNCc1ccc2c(c1)CCCC2 258903784 573746064 /nfs/dbraw/zinc/74/60/64/573746064.db2.gz OLWCKWSFNVMTKP-UHFFFAOYSA-N 0 3 190.290 1.571 10 0 ADAEHN CCN[C@H]1COc2cc(F)ccc21 87016177 573746073 /nfs/dbraw/zinc/74/60/73/573746073.db2.gz QZCKIMBKIHGRRV-VIFPVBQESA-N 0 3 181.210 1.869 10 0 ADAEHN C[C@H]1CC[C@H](C)N(C(=O)C(C)(C)N)C1 84048698 573746216 /nfs/dbraw/zinc/74/62/16/573746216.db2.gz PUBVMNQHTALBEL-IUCAKERBSA-N 0 3 198.310 1.371 10 0 ADAEHN COc1c(C)cc(C)cc1CNCN 258902411 573746343 /nfs/dbraw/zinc/74/63/43/573746343.db2.gz OHEFGAQXZXDILV-UHFFFAOYSA-N 0 3 194.278 1.318 10 0 ADAEHN C[C@H]1CC[C@@H](C)N(C(=O)C(C)(C)N)C1 84048706 573746404 /nfs/dbraw/zinc/74/64/04/573746404.db2.gz PUBVMNQHTALBEL-DTWKUNHWSA-N 0 3 198.310 1.371 10 0 ADAEHN CC(C)c1cc([C@H](F)CN)n(C)n1 108297974 573746427 /nfs/dbraw/zinc/74/64/27/573746427.db2.gz LGXPJEMUYTVDTK-SSDOTTSWSA-N 0 3 185.246 1.513 10 0 ADAEHN C[C@H](N)C(F)(F)[C@H]1CCCN(C)C1 257863067 573746432 /nfs/dbraw/zinc/74/64/32/573746432.db2.gz RIMKUWMKKACZFG-YUMQZZPRSA-N 0 3 192.253 1.311 10 0 ADAEHN C[C@@H](O)CNC/C=C/c1ccco1 126999608 573746505 /nfs/dbraw/zinc/74/65/05/573746505.db2.gz NCHAZPGESPBIMT-HDMKULJXSA-N 0 3 181.235 1.263 10 0 ADAEHN COc1ccc(F)cc1[C@H](F)CN 108299311 573746557 /nfs/dbraw/zinc/74/65/57/573746557.db2.gz LYJLTNMDJGOPJR-MRVPVSSYSA-N 0 3 187.189 1.804 10 0 ADAEHN COC(=O)[C@H](C)N1C[C@H](C)CC[C@@H]1C 84049782 573747802 /nfs/dbraw/zinc/74/78/02/573747802.db2.gz AXTCRJMBFKSOHH-UTLUCORTSA-N 0 3 199.294 1.668 10 0 ADAEHN CN(C)[C@H]1CCOc2cc(N)ccc21 257863755 573747838 /nfs/dbraw/zinc/74/78/38/573747838.db2.gz RNRPOXDQTNJNDO-JTQLQIEISA-N 0 3 192.262 1.654 10 0 ADAEHN NCc1nocc1-c1ccc(O)cc1 257863886 573747875 /nfs/dbraw/zinc/74/78/75/573747875.db2.gz WIFNZFASYIXPQP-UHFFFAOYSA-N 0 3 190.202 1.506 10 0 ADAEHN [NH3+]Cc1cnoc1-c1ccccc1[O-] 257863107 573747939 /nfs/dbraw/zinc/74/79/39/573747939.db2.gz RKNFIVGACOAUAQ-UHFFFAOYSA-N 0 3 190.202 1.506 10 0 ADAEHN Cc1nc2cc(NCN)ccc2[nH]1 258903822 573747940 /nfs/dbraw/zinc/74/79/40/573747940.db2.gz OMFUIJIJUSGDTP-UHFFFAOYSA-N 0 3 176.223 1.199 10 0 ADAEHN Cc1nc2ccc(NCN)cc2[nH]1 258903822 573747943 /nfs/dbraw/zinc/74/79/43/573747943.db2.gz OMFUIJIJUSGDTP-UHFFFAOYSA-N 0 3 176.223 1.199 10 0 ADAEHN Cc1ncsc1OCCN(C)C 15416 573747967 /nfs/dbraw/zinc/74/79/67/573747967.db2.gz CYVSPZSBUONUJM-UHFFFAOYSA-N 0 3 186.280 1.392 10 0 ADAEHN Cc1ccc(CN[C@@H]2C[C@@H]2CO)cc1 308700973 573747973 /nfs/dbraw/zinc/74/79/73/573747973.db2.gz XTAGBKADMGXNMB-VXGBXAGGSA-N 0 3 191.274 1.465 10 0 ADAEHN C[C@@H]1N[C@H](C)[C@@H](O)c2ccccc21 238496837 573748087 /nfs/dbraw/zinc/74/80/87/573748087.db2.gz JGIOBYOLMBPXGR-VAOFZXAKSA-N 0 3 177.247 1.773 10 0 ADAEHN Cc1c(F)cnc(CN)c1C(F)F 238496885 573748105 /nfs/dbraw/zinc/74/81/05/573748105.db2.gz VNQABNAMFSOUFB-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN COC[C@H]1NCCc2cc(F)ccc21 257863105 573748182 /nfs/dbraw/zinc/74/81/82/573748182.db2.gz RKLDGEXFNQTXEY-LLVKDONJSA-N 0 3 195.237 1.659 10 0 ADAEHN C[C@H]1COCCN1C1CCC(O)CC1 108311228 573748207 /nfs/dbraw/zinc/74/82/07/573748207.db2.gz DXMDIGAWLPCUFO-WHXUTIOJSA-N 0 3 199.294 1.011 10 0 ADAEHN Cc1c(CN)cc(C(F)F)nc1F 238497652 573748295 /nfs/dbraw/zinc/74/82/95/573748295.db2.gz BLRAJWJOGMMJGX-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN C[C@@](F)(CN)c1ccc2c(c1)OCO2 108307794 573748355 /nfs/dbraw/zinc/74/83/55/573748355.db2.gz CRZHPBWTSKFLJA-SNVBAGLBSA-N 0 3 197.209 1.559 10 0 ADAEHN CN1CC[C@@H](O)[C@@H]1c1ccc(N)cc1 257864473 573750795 /nfs/dbraw/zinc/75/07/95/573750795.db2.gz RSNVTVGIZJZMMC-MNOVXSKESA-N 0 3 192.262 1.006 10 0 ADAEHN CC(C)OCCCn1cnc(CN)c1 98123821 573750833 /nfs/dbraw/zinc/75/08/33/573750833.db2.gz ITSYQAWROYNSNP-UHFFFAOYSA-N 0 3 197.282 1.157 10 0 ADAEHN COC[C@@H]1NCCc2cc(O)ccc21 257864490 573750882 /nfs/dbraw/zinc/75/08/82/573750882.db2.gz RSOJUCYVCUKWIV-NSHDSACASA-N 0 3 193.246 1.225 10 0 ADAEHN NCC1=NO[C@H](c2cccc(O)c2)C1 257873674 573750960 /nfs/dbraw/zinc/75/09/60/573750960.db2.gz UDEAUMPZNFNWQS-JTQLQIEISA-N 0 3 192.218 1.168 10 0 ADAEHN CC(C)NCc1scnc1N 257873586 573751007 /nfs/dbraw/zinc/75/10/07/573751007.db2.gz FTRSQWRRDVFEHS-UHFFFAOYSA-N 0 3 171.269 1.223 10 0 ADAEHN Cc1nc2ccc([C@H](N)O)cc2o1 259619617 573751076 /nfs/dbraw/zinc/75/10/76/573751076.db2.gz XUMPOPGGADKDMI-SECBINFHSA-N 0 3 178.191 1.086 10 0 ADAEHN CCn1ccnc1[C@H](F)C(C)(C)NC 308705369 573751160 /nfs/dbraw/zinc/75/11/60/573751160.db2.gz WRMALBACCCNIBE-QMMMGPOBSA-N 0 3 199.273 1.912 10 0 ADAEHN CCN[C@H]1CCOc2cc(O)ccc21 257873701 573751227 /nfs/dbraw/zinc/75/12/27/573751227.db2.gz UDQGAQBCUUFNEZ-JTQLQIEISA-N 0 3 193.246 1.825 10 0 ADAEHN C[C@@H](N)n1cc(OC(C)(C)C)cn1 257864404 573751292 /nfs/dbraw/zinc/75/12/92/573751292.db2.gz CDMWRUVVVSJICR-ZETCQYMHSA-N 0 3 183.255 1.538 10 0 ADAEHN Cc1c(C(F)F)cc(CN)nc1F 238497962 573751449 /nfs/dbraw/zinc/75/14/49/573751449.db2.gz JVOZXEYBIZCQQC-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN Cc1coc([C@H](N)[C@@H]2COC[C@@H]2C)c1 716156063 573754166 /nfs/dbraw/zinc/75/41/66/573754166.db2.gz ZDRWSRKUOLNHGF-IQJOONFLSA-N 0 3 195.262 1.870 10 0 ADAEHN CCc1cn(C)nc1[C@H](C)N 257867995 573755124 /nfs/dbraw/zinc/75/51/24/573755124.db2.gz XMHRYMYHVLMDIH-LURJTMIESA-N 0 3 153.229 1.002 10 0 ADAEHN CCOC[C@@H](N)c1ccsc1 84063826 573754237 /nfs/dbraw/zinc/75/42/37/573754237.db2.gz HYICHBIRFFONOL-MRVPVSSYSA-N 0 3 171.265 1.784 10 0 ADAEHN C[C@H](N)n1cc(OC(C)(C)C)cn1 257864403 573754302 /nfs/dbraw/zinc/75/43/02/573754302.db2.gz CDMWRUVVVSJICR-SSDOTTSWSA-N 0 3 183.255 1.538 10 0 ADAEHN Cn1nc(CNC2CCCC2)cc1N 257873624 573754371 /nfs/dbraw/zinc/75/43/71/573754371.db2.gz FUOLVAAFRRLLBX-UHFFFAOYSA-N 0 3 194.282 1.035 10 0 ADAEHN CN1CCC[C@@H](c2cc(N)no2)C1 259184136 573754441 /nfs/dbraw/zinc/75/44/41/573754441.db2.gz JTSYEEIROOQSEO-SSDOTTSWSA-N 0 3 181.239 1.066 10 0 ADAEHN Cc1cnc(C(F)(F)F)cc1CN 238498986 573754468 /nfs/dbraw/zinc/75/44/68/573754468.db2.gz JXHKUSWCGAFWJP-UHFFFAOYSA-N 0 3 190.168 1.868 10 0 ADAEHN COc1ccc2c(CN)ncnc2c1 257865409 573754521 /nfs/dbraw/zinc/75/45/21/573754521.db2.gz RWHIXBFRXAJRLU-UHFFFAOYSA-N 0 3 189.218 1.097 10 0 ADAEHN NCC1=NO[C@@H](c2cccc(O)c2)C1 257873677 573754578 /nfs/dbraw/zinc/75/45/78/573754578.db2.gz UDEAUMPZNFNWQS-SNVBAGLBSA-N 0 3 192.218 1.168 10 0 ADAEHN CCCOCCOc1cnccc1N 308705311 573754598 /nfs/dbraw/zinc/75/45/98/573754598.db2.gz WPAGNOGTTSEKSI-UHFFFAOYSA-N 0 3 196.250 1.469 10 0 ADAEHN COCCCCn1cccc1CN 131077583 573754642 /nfs/dbraw/zinc/75/46/42/573754642.db2.gz CIGPLAHJUANIFL-UHFFFAOYSA-N 0 3 182.267 1.373 10 0 ADAEHN Nc1nc(COc2ccccc2)c[nH]1 258116924 573754660 /nfs/dbraw/zinc/75/46/60/573754660.db2.gz JLNHDOOQLVZDHM-UHFFFAOYSA-N 0 3 189.218 1.571 10 0 ADAEHN C[C@H]1NCCN[C@H]1c1cccs1 259184073 573754828 /nfs/dbraw/zinc/75/48/28/573754828.db2.gz MGFJNKMANLEAQL-VXNVDRBHSA-N 0 3 182.292 1.371 10 0 ADAEHN C[C@H](N)c1nocc1C1CCC1 257868043 573755032 /nfs/dbraw/zinc/75/50/32/573755032.db2.gz XONCNUICZRSGOO-LURJTMIESA-N 0 3 166.224 1.962 10 0 ADAEHN Nc1cccc([C@]2(F)CCCNC2)c1 257868155 573755919 /nfs/dbraw/zinc/75/59/19/573755919.db2.gz SMPBZYRJQXNXJP-NSHDSACASA-N 0 3 194.253 1.817 10 0 ADAEHN Cc1ccsc1CCN(C)CN 258915143 573755277 /nfs/dbraw/zinc/75/52/77/573755277.db2.gz PUEVSWCIOMOZBI-UHFFFAOYSA-N 0 3 184.308 1.447 10 0 ADAEHN CCc1ccc(CNCO)cc1 258910411 573755339 /nfs/dbraw/zinc/75/53/39/573755339.db2.gz MDELKSBXSRZPRZ-UHFFFAOYSA-N 0 3 165.236 1.288 10 0 ADAEHN CCOCc1nc2c(s1)CNCC2 84065147 573755416 /nfs/dbraw/zinc/75/54/16/573755416.db2.gz VSMRPLQQASAVEQ-UHFFFAOYSA-N 0 3 198.291 1.325 10 0 ADAEHN Cc1nc2ccc(=N)ccc2[nH]1 238498895 573755495 /nfs/dbraw/zinc/75/54/95/573755495.db2.gz UTSIWPUUBVLYQR-UHFFFAOYSA-N 0 3 159.192 1.351 10 0 ADAEHN Cc1cc2c(cc1[C@@H](F)CN)OCO2 257866718 573755573 /nfs/dbraw/zinc/75/55/73/573755573.db2.gz XFFOYVSHWRVRIV-QMMMGPOBSA-N 0 3 197.209 1.693 10 0 ADAEHN Cc1ccc2c(c1[C@@H](C)N)OCCO2 258121220 573755592 /nfs/dbraw/zinc/75/55/92/573755592.db2.gz QRFBRLWYARYZEC-MRVPVSSYSA-N 0 3 193.246 1.786 10 0 ADAEHN NCc1ccc(F)c2c1OCO2 258120064 573755708 /nfs/dbraw/zinc/75/57/08/573755708.db2.gz ZUXYPDSVPDTCLF-UHFFFAOYSA-N 0 3 169.155 1.013 10 0 ADAEHN C[C@@]1(Oc2ccc(C=O)cc2)CCN1 238498494 573755955 /nfs/dbraw/zinc/75/59/55/573755955.db2.gz KXKSMHPSWXLVOO-LLVKDONJSA-N 0 3 191.230 1.587 10 0 ADAEHN Nc1cccc([C@@]2(F)CCCNC2)c1 257868153 573755964 /nfs/dbraw/zinc/75/59/64/573755964.db2.gz SMPBZYRJQXNXJP-LLVKDONJSA-N 0 3 194.253 1.817 10 0 ADAEHN CCOC[C@@H](N)c1ccoc1 84064016 573755966 /nfs/dbraw/zinc/75/59/66/573755966.db2.gz KUYHMMXYQUPGKW-MRVPVSSYSA-N 0 3 155.197 1.316 10 0 ADAEHN CN(CN)CCC1CCCCC1 258915214 573756041 /nfs/dbraw/zinc/75/60/41/573756041.db2.gz PUYUIONVLYBSAR-UHFFFAOYSA-N 0 3 170.300 1.805 10 0 ADAEHN Cc1c(F)ncc(C(F)F)c1CN 238498483 573756109 /nfs/dbraw/zinc/75/61/09/573756109.db2.gz YUDSKDPKRYLONE-UHFFFAOYSA-N 0 3 190.168 1.925 10 0 ADAEHN COC(=O)[C@H]1CN(C)CC[C@@H]1C1CC1 257866517 573756110 /nfs/dbraw/zinc/75/61/10/573756110.db2.gz SEEOWLGGIGVMEO-ZJUUUORDSA-N 0 3 197.278 1.137 10 0 ADAEHN Cc1ccc2c(c1)CCN[C@H]2CCO 257867204 573756166 /nfs/dbraw/zinc/75/61/66/573756166.db2.gz SGQMZJJXDBCJIT-LBPRGKRZSA-N 0 3 191.274 1.564 10 0 ADAEHN Cn1ncc(N)c1CNC1CCCC1 257866288 573756206 /nfs/dbraw/zinc/75/62/06/573756206.db2.gz DIDRNOPWDQBMKQ-UHFFFAOYSA-N 0 3 194.282 1.035 10 0 ADAEHN CNC[C@@](C)(F)Cc1cccc(O)c1 257868226 573756514 /nfs/dbraw/zinc/75/65/14/573756514.db2.gz SNXYIAQJUZLAMA-NSHDSACASA-N 0 3 197.253 1.882 10 0 ADAEHN NCc1cnnn1C1CCCCCC1 257867341 573756538 /nfs/dbraw/zinc/75/65/38/573756538.db2.gz SIHQKLXOAYTYKT-UHFFFAOYSA-N 0 3 194.282 1.632 10 0 ADAEHN 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10 0 ADAEHN Nc1ccc([C@@]2(F)CCCNC2)cc1 257901568 573926565 /nfs/dbraw/zinc/92/65/65/573926565.db2.gz YWAUCLYTZSRTGL-LLVKDONJSA-N 0 3 194.253 1.817 10 0 ADAEHN CC(C)[C@H](C)CNC1COC1 81057135 573926660 /nfs/dbraw/zinc/92/66/60/573926660.db2.gz PWJYDGLIXRDQRI-MRVPVSSYSA-N 0 3 157.257 1.267 10 0 ADAEHN CCn1nccc1[C@@H](N)[C@@H](C)C1CC1 127589709 573926683 /nfs/dbraw/zinc/92/66/83/573926683.db2.gz KSODQESZVVRBHV-KWQFWETISA-N 0 3 193.294 1.949 10 0 ADAEHN Cc1ccc(C)c([C@H](N)CO)c1Cl 215005311 573926753 /nfs/dbraw/zinc/92/67/53/573926753.db2.gz ONHMNCSMBSRCMA-MRVPVSSYSA-N 0 3 199.681 1.949 10 0 ADAEHN Nc1ccc([C@@H](N)c2ccccn2)cc1 259583351 573926771 /nfs/dbraw/zinc/92/67/71/573926771.db2.gz ZIDZJSQKKYNMOC-GFCCVEGCSA-N 0 3 199.257 1.712 10 0 ADAEHN CN(C)C[C@H](N)c1cccc(Cl)c1 84932669 573926775 /nfs/dbraw/zinc/92/67/75/573926775.db2.gz JQIGTMFKFVAIFZ-JTQLQIEISA-N 0 3 198.697 1.901 10 0 ADAEHN Cc1cc(C)c([C@H](N)CO)c(Cl)c1 215005192 573926829 /nfs/dbraw/zinc/92/68/29/573926829.db2.gz BAYOPFYYLKZZLI-SECBINFHSA-N 0 3 199.681 1.949 10 0 ADAEHN Cc1cc([C@@H](N)CO)c(C)cc1Cl 215005126 573926929 /nfs/dbraw/zinc/92/69/29/573926929.db2.gz NUCBQPOAJUIBQX-JTQLQIEISA-N 0 3 199.681 1.949 10 0 ADAEHN CC[C@@H]1C(N)=C(C)NC(C)=C1CO 215006490 573926939 /nfs/dbraw/zinc/92/69/39/573926939.db2.gz UNMASTSZNCDURG-QMMMGPOBSA-N 0 3 182.267 1.072 10 0 ADAEHN COc1ccc2c(c1)CC[C@@]2(F)CN 257901531 573926949 /nfs/dbraw/zinc/92/69/49/573926949.db2.gz YVNXJZRYGOWKGJ-LLVKDONJSA-N 0 3 195.237 1.765 10 0 ADAEHN C[C@@H](N)c1nc(C2CCC2)c[nH]1 259009965 573926990 /nfs/dbraw/zinc/92/69/90/573926990.db2.gz CYBNGGODXCINRO-ZCFIWIBFSA-N 0 3 165.240 1.697 10 0 ADAEHN COC[C@H]1CCN([C@@H]2CCCC2=O)C1 81071693 573927091 /nfs/dbraw/zinc/92/70/91/573927091.db2.gz DZZUOMGDMIVUHQ-VHSXEESVSA-N 0 3 197.278 1.076 10 0 ADAEHN CO[C@@H]1C[C@@H]1[C@@H](N)c1cscn1 689912889 573927129 /nfs/dbraw/zinc/92/71/29/573927129.db2.gz AWZDSEQAGCCPHA-UIISKDMLSA-N 0 3 184.264 1.178 10 0 ADAEHN NC[C@H](F)CC1CCSCC1 257904910 573934613 /nfs/dbraw/zinc/93/46/13/573934613.db2.gz PLNKBGVKGYULNR-MRVPVSSYSA-N 0 3 177.288 1.817 10 0 ADAEHN CCCC1([C@H]2CNCCO2)CCC1 686132080 573934639 /nfs/dbraw/zinc/93/46/39/573934639.db2.gz FBIKMIONPCCHPS-SNVBAGLBSA-N 0 3 183.295 1.945 10 0 ADAEHN CN(C)[C@@H]1CCNc2c(O)cccc21 257905289 573933882 /nfs/dbraw/zinc/93/38/82/573933882.db2.gz ZILXAJZLFVZGCC-SECBINFHSA-N 0 3 192.262 1.811 10 0 ADAEHN Cc1cc(CNC[C@]2(C)C[C@@H]2C)[nH]n1 716449915 573933923 /nfs/dbraw/zinc/93/39/23/573933923.db2.gz FDAKHSWXGJJBMF-KWQFWETISA-N 0 3 193.294 1.854 10 0 ADAEHN CN(C)[C@H]1CCNc2c(O)cccc21 257905292 573933973 /nfs/dbraw/zinc/93/39/73/573933973.db2.gz ZILXAJZLFVZGCC-VIFPVBQESA-N 0 3 192.262 1.811 10 0 ADAEHN Cc1ccoc1[C@H](C)NC[C@H](C)O 131742382 573934030 /nfs/dbraw/zinc/93/40/30/573934030.db2.gz XNGJAJQNMQQLFW-IUCAKERBSA-N 0 3 183.251 1.619 10 0 ADAEHN CCN(C)C[C@@H](O)CCC(=O)C1CC1 308465519 573934175 /nfs/dbraw/zinc/93/41/75/573934175.db2.gz GCAFOSQXCBKFNV-JTQLQIEISA-N 0 3 199.294 1.058 10 0 ADAEHN CC(C)n1ccc([C@H]2CCCN2)n1 238196744 573934325 /nfs/dbraw/zinc/93/43/25/573934325.db2.gz ADWZAZONGYTCLX-SECBINFHSA-N 0 3 179.267 1.889 10 0 ADAEHN Cc1nn(C2CC2)c(C)c1CN 257984134 573934371 /nfs/dbraw/zinc/93/43/71/573934371.db2.gz NTNNMWWLELSIHO-UHFFFAOYSA-N 0 3 165.240 1.294 10 0 ADAEHN Nc1cccc([C@@H](N)c2ccc[nH]2)c1 259585152 573934408 /nfs/dbraw/zinc/93/44/08/573934408.db2.gz ZKBBVOQLYCDIGU-LLVKDONJSA-N 0 3 187.246 1.645 10 0 ADAEHN COC(=O)C1=C(C2CCC2)CCNC1 257905256 573934411 /nfs/dbraw/zinc/93/44/11/573934411.db2.gz ZHZRNCGDUPDVRE-UHFFFAOYSA-N 0 3 195.262 1.249 10 0 ADAEHN CC(C)=CCNC(=O)[C@H](N)CC1CC1 308465338 573934452 /nfs/dbraw/zinc/93/44/52/573934452.db2.gz HRIXAENNZFQWHW-SNVBAGLBSA-N 0 3 196.294 1.196 10 0 ADAEHN CC(C)[C@H]1Cc2n[nH]cc2CN1 238198124 573937994 /nfs/dbraw/zinc/93/79/94/573937994.db2.gz ABFGNEQYWCBFDC-MRVPVSSYSA-N 0 3 165.240 1.080 10 0 ADAEHN Cc1cccc(CN2CC(CO)C2)c1 84989515 573938039 /nfs/dbraw/zinc/93/80/39/573938039.db2.gz PAKISYYDPMXTNL-UHFFFAOYSA-N 0 3 191.274 1.419 10 0 ADAEHN CCOCCCNCc1cnoc1C 585365217 573937384 /nfs/dbraw/zinc/93/73/84/573937384.db2.gz SOVIDVGFJBJSBL-UHFFFAOYSA-N 0 3 198.266 1.499 10 0 ADAEHN Cc1ccc(CN2CC(CO)C2)cc1 84989003 573937435 /nfs/dbraw/zinc/93/74/35/573937435.db2.gz YNPVEMDKMDTNCZ-UHFFFAOYSA-N 0 3 191.274 1.419 10 0 ADAEHN CN(C)C[C@H](CC1(C)CCCC1)NN 308467973 573937499 /nfs/dbraw/zinc/93/74/99/573937499.db2.gz AMDWUYQJGTZJHH-JTQLQIEISA-N 0 3 199.342 1.350 10 0 ADAEHN CC(=O)c1cc([C@@H]2CCN(C)C2)[nH]n1 259244254 573937582 /nfs/dbraw/zinc/93/75/82/573937582.db2.gz NIPTYFGPINTNEC-MRVPVSSYSA-N 0 3 193.250 1.031 10 0 ADAEHN CC[C@@H](NC(C)C)c1ccn(C)n1 308467795 573937695 /nfs/dbraw/zinc/93/76/95/573937695.db2.gz JOSYFFVEZCRQPA-SECBINFHSA-N 0 3 181.283 1.869 10 0 ADAEHN C1=C[C@@H](c2ccccc2)N=CN1 81218407 573937767 /nfs/dbraw/zinc/93/77/67/573937767.db2.gz ACPYTJZQGNOKRY-JTQLQIEISA-N 0 3 158.204 1.873 10 0 ADAEHN CC[C@@H](C)NCc1cnoc1C 585365227 573940536 /nfs/dbraw/zinc/94/05/36/573940536.db2.gz UXPZENLBTCBWLT-SSDOTTSWSA-N 0 3 168.240 1.871 10 0 ADAEHN CC[C@H](OC)[C@H](N)c1c(C)cnn1C 308468216 573940541 /nfs/dbraw/zinc/94/05/41/573940541.db2.gz IMBFTZNQBTZINF-IUCAKERBSA-N 0 3 197.282 1.153 10 0 ADAEHN CC[C@@H](C)n1ncc(CNC)c1C 42356040 573940602 /nfs/dbraw/zinc/94/06/02/573940602.db2.gz VEXHFHAQPWJGAL-MRVPVSSYSA-N 0 3 181.283 1.882 10 0 ADAEHN CC[C@H](C[C@H](C)O)NCc1c[nH]cn1 716863198 573940671 /nfs/dbraw/zinc/94/06/71/573940671.db2.gz MLLMIAZOQCQGEE-DTWKUNHWSA-N 0 3 197.282 1.049 10 0 ADAEHN CC[C@H](C[C@H](C)O)NCc1cnc[nH]1 716863198 573940677 /nfs/dbraw/zinc/94/06/77/573940677.db2.gz MLLMIAZOQCQGEE-DTWKUNHWSA-N 0 3 197.282 1.049 10 0 ADAEHN NC1(c2ccccc2Cl)CC(=O)C1 258184980 573940842 /nfs/dbraw/zinc/94/08/42/573940842.db2.gz VLMVVFQBEFWARN-UHFFFAOYSA-N 0 3 195.649 1.857 10 0 ADAEHN Cc1cc(CNC2(CO)CC2)c(C)o1 127778089 573940931 /nfs/dbraw/zinc/94/09/31/573940931.db2.gz CCLKWVWPZZQJQT-UHFFFAOYSA-N 0 3 195.262 1.511 10 0 ADAEHN CCn1ncc(CNC2CC2)c1C 42355957 573941000 /nfs/dbraw/zinc/94/10/00/573941000.db2.gz LHZXMXQJGLWRQP-UHFFFAOYSA-N 0 3 179.267 1.463 10 0 ADAEHN CC(C)C1(C2=NO[C@H](CN)C2)CCC1 686124983 573941076 /nfs/dbraw/zinc/94/10/76/573941076.db2.gz DXGVUVLXLWROFR-VIFPVBQESA-N 0 3 196.294 1.916 10 0 ADAEHN Cc1n[nH]c(CN[C@H]2CC[C@H]2C)c1C 716477044 573941104 /nfs/dbraw/zinc/94/11/04/573941104.db2.gz MJZKFDVYIUFDEZ-XCBNKYQSSA-N 0 3 193.294 1.915 10 0 ADAEHN CC[C@@H](OC)[C@@H](N)c1c(C)cnn1C 308468219 573941287 /nfs/dbraw/zinc/94/12/87/573941287.db2.gz IMBFTZNQBTZINF-RKDXNWHRSA-N 0 3 197.282 1.153 10 0 ADAEHN CC1(c2noc([C@@H]3CCCN3)n2)CC1 87548264 573941358 /nfs/dbraw/zinc/94/13/58/573941358.db2.gz BQOJHRIKZWOADR-ZETCQYMHSA-N 0 3 193.250 1.546 10 0 ADAEHN CCCCn1ncc(CN)c1C 42356018 573941443 /nfs/dbraw/zinc/94/14/43/573941443.db2.gz BXNFUNKZLAAKNX-UHFFFAOYSA-N 0 3 167.256 1.450 10 0 ADAEHN CC[C@H](OC)[C@@H](N)c1c(C)cnn1C 308468215 573941512 /nfs/dbraw/zinc/94/15/12/573941512.db2.gz IMBFTZNQBTZINF-DTWKUNHWSA-N 0 3 197.282 1.153 10 0 ADAEHN CN(C)C[C@@H](CC1(C)CCCC1)NN 308467974 573941522 /nfs/dbraw/zinc/94/15/22/573941522.db2.gz AMDWUYQJGTZJHH-SNVBAGLBSA-N 0 3 199.342 1.350 10 0 ADAEHN CC[C@H](C)N(C)C(=O)C1(NC)CCC1 308468557 573941563 /nfs/dbraw/zinc/94/15/63/573941563.db2.gz HFNMBJLACRGQAD-VIFPVBQESA-N 0 3 198.310 1.385 10 0 ADAEHN CC1(c2noc([C@H]3CCCN3)n2)CC1 87548266 573941684 /nfs/dbraw/zinc/94/16/84/573941684.db2.gz BQOJHRIKZWOADR-SSDOTTSWSA-N 0 3 193.250 1.546 10 0 ADAEHN CC(C)[C@H](C)Oc1ncc(CN)cn1 308467959 573941738 /nfs/dbraw/zinc/94/17/38/573941738.db2.gz ALMRGMCYDIYANK-QMMMGPOBSA-N 0 3 195.266 1.359 10 0 ADAEHN CC1([C@@H](N)c2cccnc2)CC1 87551026 573946129 /nfs/dbraw/zinc/94/61/29/573946129.db2.gz HVQPBXQQUCTORB-VIFPVBQESA-N 0 3 162.236 1.882 10 0 ADAEHN Clc1cccc(C[C@H]2NCCO2)c1 258185918 573946199 /nfs/dbraw/zinc/94/61/99/573946199.db2.gz SXUGVTKKHFNXHR-JTQLQIEISA-N 0 3 197.665 1.828 10 0 ADAEHN CC1([C@H](O)c2cnccc2N)CC1 87550312 573946428 /nfs/dbraw/zinc/94/64/28/573946428.db2.gz IFFXZSHKAPEPMO-SECBINFHSA-N 0 3 178.235 1.497 10 0 ADAEHN CC(C)c1oncc1CNCCCO 585365066 573946443 /nfs/dbraw/zinc/94/64/43/573946443.db2.gz ZYJHDKOLEPSIKW-UHFFFAOYSA-N 0 3 198.266 1.270 10 0 ADAEHN CCn1nccc1[C@H](N)C1(C)CC1 87550837 573946605 /nfs/dbraw/zinc/94/66/05/573946605.db2.gz ONCBRESZCODSBX-VIFPVBQESA-N 0 3 179.267 1.703 10 0 ADAEHN CS[C@H](C)CNc1cccc(N)n1 123166689 573946677 /nfs/dbraw/zinc/94/66/77/573946677.db2.gz NUONHBMZLGWIHT-SSDOTTSWSA-N 0 3 197.307 1.827 10 0 ADAEHN CC1([C@@H](O)c2cnccc2N)CC1 87550313 573946702 /nfs/dbraw/zinc/94/67/02/573946702.db2.gz IFFXZSHKAPEPMO-VIFPVBQESA-N 0 3 178.235 1.497 10 0 ADAEHN Cc1cc(CNCC[C@@H](C)O)c(C)o1 127647968 573947578 /nfs/dbraw/zinc/94/75/78/573947578.db2.gz FRTJFTJMWQQDKK-MRVPVSSYSA-N 0 3 197.278 1.757 10 0 ADAEHN COC(=O)/C=C\CN[C@@H]1C[C@H]1C1CC1 716489308 573947590 /nfs/dbraw/zinc/94/75/90/573947590.db2.gz HLPMEJPBSQOVNX-YLBDSCSXSA-N 0 3 195.262 1.104 10 0 ADAEHN CC(C)NCc1ncc(N)n1C(C)C 257914958 573947606 /nfs/dbraw/zinc/94/76/06/573947606.db2.gz QJVXSAGLNNNXSJ-UHFFFAOYSA-N 0 3 196.298 1.544 10 0 ADAEHN COc1cc(C)c(O)cc1[C@H](C)N 257915487 573947642 /nfs/dbraw/zinc/94/76/42/573947642.db2.gz BLDFKXORWVNSTA-ZETCQYMHSA-N 0 3 181.235 1.729 10 0 ADAEHN CCC[C@H](C)[C@H](N)c1ccnn1C 127652560 573947667 /nfs/dbraw/zinc/94/76/67/573947667.db2.gz JGTPVZWKPHNDNZ-WPRPVWTQSA-N 0 3 181.283 1.856 10 0 ADAEHN CCC[C@H](N)c1cncs1 87573978 573947676 /nfs/dbraw/zinc/94/76/76/573947676.db2.gz OHGFDOYCFOFVPE-LURJTMIESA-N 0 3 156.254 1.943 10 0 ADAEHN CC(C)[C@](N)(O)c1ccccc1C=O 238205898 573947696 /nfs/dbraw/zinc/94/76/96/573947696.db2.gz CJCFLBKEQRBIHY-NSHDSACASA-N 0 3 193.246 1.259 10 0 ADAEHN Cc1ccccc1C1=NC[C@@H](CN)O1 257914081 573947735 /nfs/dbraw/zinc/94/77/35/573947735.db2.gz AHWHSBCDKVQURY-SECBINFHSA-N 0 3 190.246 1.099 10 0 ADAEHN CCO[C@@H]1CCCN(CCC(C)=O)C1 42423863 573947826 /nfs/dbraw/zinc/94/78/26/573947826.db2.gz PAMUXNSSLPVSEE-LLVKDONJSA-N 0 3 199.294 1.466 10 0 ADAEHN OCc1cnc([C@@H]2CCCN2)s1 257914109 573947852 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183.280 1.437 10 0 ADAEHN Cc1ccc([C@H](N)CN)c(Cl)n1 104505126 574020613 /nfs/dbraw/zinc/02/06/13/574020613.db2.gz UOXZGDYXLVVAHY-SSDOTTSWSA-N 0 3 185.658 1.002 10 0 ADAEHN Cn1nccc1[C@H](N)[C@@H]1CCCS1 87711788 574020632 /nfs/dbraw/zinc/02/06/32/574020632.db2.gz JSURCTFBWQTBTF-IUCAKERBSA-N 0 3 197.307 1.316 10 0 ADAEHN Nc1cccc([C@H](N)C2CC2)n1 104509159 574020687 /nfs/dbraw/zinc/02/06/87/574020687.db2.gz QSIMGBDCWRVDRK-SECBINFHSA-N 0 3 163.224 1.074 10 0 ADAEHN Cn1nccc1[C@@H](N)[C@H]1CCCS1 87711791 574020692 /nfs/dbraw/zinc/02/06/92/574020692.db2.gz JSURCTFBWQTBTF-RKDXNWHRSA-N 0 3 197.307 1.316 10 0 ADAEHN COC[C@@H]([NH3+])c1ccc([O-])c(F)c1 104504232 574020693 /nfs/dbraw/zinc/02/06/93/574020693.db2.gz SBUZUWSQQWYEMS-MRVPVSSYSA-N 0 3 185.198 1.178 10 0 ADAEHN Cn1nccc1[C@@H](N)[C@@H]1CCCS1 87711789 574020716 /nfs/dbraw/zinc/02/07/16/574020716.db2.gz JSURCTFBWQTBTF-DTWKUNHWSA-N 0 3 197.307 1.316 10 0 ADAEHN COc1cc(C)cc2c1[C@H](N)CCO2 104506046 574020741 /nfs/dbraw/zinc/02/07/41/574020741.db2.gz COWWOERSXYPDLH-MRVPVSSYSA-N 0 3 193.246 1.786 10 0 ADAEHN N[C@H](c1cnccn1)[C@H]1CCCS1 87705342 574020809 /nfs/dbraw/zinc/02/08/09/574020809.db2.gz KLFOWFVHHQGMLI-RKDXNWHRSA-N 0 3 195.291 1.372 10 0 ADAEHN N[C@H](c1cncnc1)[C@@H]1CCCS1 87705477 574020831 /nfs/dbraw/zinc/02/08/31/574020831.db2.gz IORJBNKJPJQBIP-DTWKUNHWSA-N 0 3 195.291 1.372 10 0 ADAEHN C[C@@H](N)c1cc(CO)ccc1F 104506439 574020876 /nfs/dbraw/zinc/02/08/76/574020876.db2.gz YQXLSBXYTDBDPZ-ZCFIWIBFSA-N 0 3 169.199 1.338 10 0 ADAEHN CC(C)[C@@H](N)c1ccc[nH]c1=O 104508409 574020910 /nfs/dbraw/zinc/02/09/10/574020910.db2.gz CNXSMVOEGCPAPJ-MRVPVSSYSA-N 0 3 166.224 1.443 10 0 ADAEHN NCc1c[nH]c([C@H]2CCCCS2)n1 87716542 574020922 /nfs/dbraw/zinc/02/09/22/574020922.db2.gz SJIOSCXWVNSZEN-MRVPVSSYSA-N 0 3 197.307 1.827 10 0 ADAEHN CC[C@@H]([NH3+])c1cc([O-])cc(F)c1 104508379 574020931 /nfs/dbraw/zinc/02/09/31/574020931.db2.gz PXWWFJAVTXKMOC-SECBINFHSA-N 0 3 169.199 1.941 10 0 ADAEHN CC[C@@H](N)c1ncc(Cl)cc1N 104505105 574020941 /nfs/dbraw/zinc/02/09/41/574020941.db2.gz KGXBUXUBRBULFD-ZCFIWIBFSA-N 0 3 185.658 1.727 10 0 ADAEHN NC1(c2cccnc2NC2CC2)CC1 104504458 574020950 /nfs/dbraw/zinc/02/09/50/574020950.db2.gz JMMAMCGPTFEBSW-UHFFFAOYSA-N 0 3 189.262 1.604 10 0 ADAEHN NCc1n[nH]c([C@@H]2CCCCS2)n1 87716457 574020990 /nfs/dbraw/zinc/02/09/90/574020990.db2.gz FGVMAIAQSNQCEW-LURJTMIESA-N 0 3 198.295 1.222 10 0 ADAEHN Nc1cccc(N[C@@H]2CCCOC2)n1 87726407 574023514 /nfs/dbraw/zinc/02/35/14/574023514.db2.gz NWPUBRODFZNQSG-MRVPVSSYSA-N 0 3 193.250 1.255 10 0 ADAEHN C[C@H]1C[C@H]1CN(C)c1cccc(N)n1 87731475 574023537 /nfs/dbraw/zinc/02/35/37/574023537.db2.gz BZCFAAMKKSNDMB-IUCAKERBSA-N 0 3 191.278 1.756 10 0 ADAEHN CC[C@@](C)(CO)Nc1cccc(N)n1 87726522 574023545 /nfs/dbraw/zinc/02/35/45/574023545.db2.gz HHULKRQJVXRHCS-JTQLQIEISA-N 0 3 195.266 1.237 10 0 ADAEHN CC[C@@H](N)c1ccc(C=O)nc1 104516362 574023580 /nfs/dbraw/zinc/02/35/80/574023580.db2.gz BTSUBXMJQSTDLY-SECBINFHSA-N 0 3 164.208 1.304 10 0 ADAEHN Nc1cccc(NC2CCC2)n1 87726333 574023586 /nfs/dbraw/zinc/02/35/86/574023586.db2.gz CZEGUABSGQEUOB-UHFFFAOYSA-N 0 3 163.224 1.628 10 0 ADAEHN N[C@@H]1CCc2c(F)ccc(CO)c21 104515906 574023598 /nfs/dbraw/zinc/02/35/98/574023598.db2.gz RTRUQJCJQVORSJ-SECBINFHSA-N 0 3 181.210 1.264 10 0 ADAEHN COc1ncc(N)cc1[C@H](N)C1CC1 104514117 574023628 /nfs/dbraw/zinc/02/36/28/574023628.db2.gz SURXGNXIMKYTGO-SECBINFHSA-N 0 3 193.250 1.082 10 0 ADAEHN [NH3+][C@@H]1CCCc2cc([O-])cc(F)c21 104511763 574023679 /nfs/dbraw/zinc/02/36/79/574023679.db2.gz WVVDDDPQFFACHY-SECBINFHSA-N 0 3 181.210 1.867 10 0 ADAEHN CC[C@H](C)Nc1cccc(N)n1 87725742 574023719 /nfs/dbraw/zinc/02/37/19/574023719.db2.gz YMKNKOCUYMUOHC-ZETCQYMHSA-N 0 3 165.240 1.874 10 0 ADAEHN CC1(C)C[C@H]1Nc1cccc(N)n1 87726111 574023807 /nfs/dbraw/zinc/02/38/07/574023807.db2.gz LVCYPTHMMUWDPJ-SSDOTTSWSA-N 0 3 177.251 1.874 10 0 ADAEHN CC[C@](C)(CO)Nc1cccc(N)n1 87726524 574023822 /nfs/dbraw/zinc/02/38/22/574023822.db2.gz HHULKRQJVXRHCS-SNVBAGLBSA-N 0 3 195.266 1.237 10 0 ADAEHN CC(C)[C@@H](N)c1ccsc1N 104516584 574023845 /nfs/dbraw/zinc/02/38/45/574023845.db2.gz DBKSHLRCWZCUQF-SSDOTTSWSA-N 0 3 170.281 1.986 10 0 ADAEHN CCCCNc1cccc(N)n1 87725771 574023899 /nfs/dbraw/zinc/02/38/99/574023899.db2.gz OEUCXLDYSFNYGB-UHFFFAOYSA-N 0 3 165.240 1.876 10 0 ADAEHN Nc1cccc(NCC2CCC2)n1 87725860 574023905 /nfs/dbraw/zinc/02/39/05/574023905.db2.gz YCLFWUCTKUOUQE-UHFFFAOYSA-N 0 3 177.251 1.876 10 0 ADAEHN CC[C@H](CO)[C@@H](N)c1cccnc1 259277107 574023930 /nfs/dbraw/zinc/02/39/30/574023930.db2.gz HHORZKCDLJTFBT-PSASIEDQSA-N 0 3 180.251 1.100 10 0 ADAEHN CC1(C)C[C@@H]1Nc1cccc(N)n1 87726109 574023941 /nfs/dbraw/zinc/02/39/41/574023941.db2.gz LVCYPTHMMUWDPJ-ZETCQYMHSA-N 0 3 177.251 1.874 10 0 ADAEHN CNC1(C(F)(F)F)CCN(C)CC1 85276329 574023946 /nfs/dbraw/zinc/02/39/46/574023946.db2.gz WTKWQSJJQDJRPL-UHFFFAOYSA-N 0 3 196.216 1.233 10 0 ADAEHN C[C@H]1CCN(c2cccc(N)n2)C1 87727083 574023983 /nfs/dbraw/zinc/02/39/83/574023983.db2.gz 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187.308 1.466 10 0 ADAEHN C1CN[C@@H]([C@@H]2CCOC2)SC1 85314790 574034003 /nfs/dbraw/zinc/03/40/03/574034003.db2.gz UXLPVXINEVPTJU-HTQZYQBOSA-N 0 3 173.281 1.076 10 0 ADAEHN N[C@@H](CF)[C@H](O)c1ccccc1 143716007 574034012 /nfs/dbraw/zinc/03/40/12/574034012.db2.gz DGGHXJDQOSENNL-DTWKUNHWSA-N 0 3 169.199 1.017 10 0 ADAEHN CC(C)(C)[C@@H]1C[S@](=O)CCCN1 85315201 574034058 /nfs/dbraw/zinc/03/40/58/574034058.db2.gz XTVTXAQYIQFQBO-UFBFGSQYSA-N 0 3 189.324 1.143 10 0 ADAEHN C/C=C/CN1CCC(C)(O)CC1 87781474 574034067 /nfs/dbraw/zinc/03/40/67/574034067.db2.gz AYIRXXFUBWKCFB-ONEGZZNKSA-N 0 3 169.268 1.409 10 0 ADAEHN CSCC[C@H]1NCCCS1 85314804 574034126 /nfs/dbraw/zinc/03/41/26/574034126.db2.gz DAWPZIDQMDEVRJ-ZETCQYMHSA-N 0 3 177.338 1.792 10 0 ADAEHN C1CN[C@@H]([C@@H]2CCCOC2)SC1 85314882 574034179 /nfs/dbraw/zinc/03/41/79/574034179.db2.gz RDQCXUQGLHWELL-RKDXNWHRSA-N 0 3 187.308 1.466 10 0 ADAEHN C1CN[C@H](C2CC2)SC1 85314919 574034241 /nfs/dbraw/zinc/03/42/41/574034241.db2.gz 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/nfs/dbraw/zinc/22/04/74/1224220474.db2.gz RAYNTYILMKGNON-MRVPVSSYSA-N 0 3 168.240 1.953 10 0 ADAEHN OCc1ccc(CN2CC=CC2)cc1 227496914 1224229020 /nfs/dbraw/zinc/22/90/20/1224229020.db2.gz YNSILDWMAZWMTR-UHFFFAOYSA-N 0 3 189.258 1.551 10 0 ADAEHN C[C@H]1CCCN1Cc1cnc(N)nc1 306184244 1224245909 /nfs/dbraw/zinc/24/59/09/1224245909.db2.gz DNIDWBCUQCZCAJ-QMMMGPOBSA-N 0 3 192.266 1.043 10 0 ADAEHN C[C@@H]1CCCN1Cc1cnc(N)nc1 306184243 1224246018 /nfs/dbraw/zinc/24/60/18/1224246018.db2.gz DNIDWBCUQCZCAJ-MRVPVSSYSA-N 0 3 192.266 1.043 10 0 ADAEHN CC[C@@H](C)N1CCOCC12CC2 306314891 1224253827 /nfs/dbraw/zinc/25/38/27/1224253827.db2.gz OSUKVLVYCWIVOH-SECBINFHSA-N 0 3 169.268 1.650 10 0 ADAEHN CC[C@@H](C)n1c(C)nc2c1CNCC2 306314847 1224253912 /nfs/dbraw/zinc/25/39/12/1224253912.db2.gz OJRONUZQMZIHCK-MRVPVSSYSA-N 0 3 193.294 1.808 10 0 ADAEHN CC[C@H](C)n1c(C)nc2c1CNCC2 306314849 1224253986 /nfs/dbraw/zinc/25/39/86/1224253986.db2.gz OJRONUZQMZIHCK-QMMMGPOBSA-N 0 3 193.294 1.808 10 0 ADAEHN CC[C@H](C)N1CCOCC12CC2 306314892 1224254049 /nfs/dbraw/zinc/25/40/49/1224254049.db2.gz OSUKVLVYCWIVOH-VIFPVBQESA-N 0 3 169.268 1.650 10 0 ADAEHN CN(CCF)CC1CCC1 306440884 1224259208 /nfs/dbraw/zinc/25/92/08/1224259208.db2.gz NZWYQHJFCDFGBK-UHFFFAOYSA-N 0 3 145.221 1.688 10 0 ADAEHN CC(C)(C)CNc1cccc(CN)n1 306443033 1224259986 /nfs/dbraw/zinc/25/99/86/1224259986.db2.gz PWPWRRAULKYECS-UHFFFAOYSA-N 0 3 193.294 1.998 10 0 ADAEHN C[C@H]1CCCN(Cc2cnoc2)C1 306443396 1224260075 /nfs/dbraw/zinc/26/00/75/1224260075.db2.gz MOXXSBNKGXMFSG-VIFPVBQESA-N 0 3 180.251 1.907 10 0 ADAEHN C[C@@H]1CCCN(Cc2cnoc2)C1 306443395 1224260321 /nfs/dbraw/zinc/26/03/21/1224260321.db2.gz MOXXSBNKGXMFSG-SECBINFHSA-N 0 3 180.251 1.907 10 0 ADAEHN C/C=C(/C)C(=O)N1CCNCC1(C)C 306530110 1224264940 /nfs/dbraw/zinc/26/49/40/1224264940.db2.gz CZIJYBJMEMUZPB-UITAMQMPSA-N 0 3 196.294 1.163 10 0 ADAEHN COC[C@@H](C)N1CCCC[C@H](F)C1 306589244 1224267321 /nfs/dbraw/zinc/26/73/21/1224267321.db2.gz OCHVKNJHCLTTSF-ZJUUUORDSA-N 0 3 189.274 1.845 10 0 ADAEHN COC[C@H](C)N1CCCC[C@@H](F)C1 306589243 1224267542 /nfs/dbraw/zinc/26/75/42/1224267542.db2.gz OCHVKNJHCLTTSF-VHSXEESVSA-N 0 3 189.274 1.845 10 0 ADAEHN COC[C@H](C)N1CCCC[C@H](F)C1 306589242 1224267779 /nfs/dbraw/zinc/26/77/79/1224267779.db2.gz OCHVKNJHCLTTSF-UWVGGRQHSA-N 0 3 189.274 1.845 10 0 ADAEHN COC[C@@H](C)N1CCCC[C@@H](F)C1 306589241 1224267877 /nfs/dbraw/zinc/26/78/77/1224267877.db2.gz OCHVKNJHCLTTSF-NXEZZACHSA-N 0 3 189.274 1.845 10 0 ADAEHN Nc1ncccc1Nc1ccncc1 306628583 1224269726 /nfs/dbraw/zinc/26/97/26/1224269726.db2.gz BUZMWKPTHSULMF-UHFFFAOYSA-N 0 3 186.218 1.802 10 0 ADAEHN COCCN1CCCC[C@@H](F)C1 306646873 1224270660 /nfs/dbraw/zinc/27/06/60/1224270660.db2.gz FLGDVURUGJYMRM-SECBINFHSA-N 0 3 175.247 1.457 10 0 ADAEHN COCCN1CCCC[C@H](F)C1 306646879 1224270683 /nfs/dbraw/zinc/27/06/83/1224270683.db2.gz FLGDVURUGJYMRM-VIFPVBQESA-N 0 3 175.247 1.457 10 0 ADAEHN CN(c1cc(CN)ncn1)C(C)(C)C 306661916 1224271566 /nfs/dbraw/zinc/27/15/66/1224271566.db2.gz OXGSAMQXILHXDY-UHFFFAOYSA-N 0 3 194.282 1.170 10 0 ADAEHN C1CCC(N2CCO[C@@H]3C[C@@H]32)C1 306758828 1224272444 /nfs/dbraw/zinc/27/24/44/1224272444.db2.gz VTEUXXRDOBKYII-VHSXEESVSA-N 0 3 167.252 1.402 10 0 ADAEHN C1CCC(N2CCO[C@H]3C[C@H]32)C1 306758829 1224272637 /nfs/dbraw/zinc/27/26/37/1224272637.db2.gz VTEUXXRDOBKYII-ZJUUUORDSA-N 0 3 167.252 1.402 10 0 ADAEHN OCCCN1CCCC[C@H](F)C1 307110653 1224275859 /nfs/dbraw/zinc/27/58/59/1224275859.db2.gz BTRVRJQGSGPRSX-VIFPVBQESA-N 0 3 175.247 1.193 10 0 ADAEHN OCCCN1CCCC[C@@H](F)C1 307110651 1224276582 /nfs/dbraw/zinc/27/65/82/1224276582.db2.gz BTRVRJQGSGPRSX-SECBINFHSA-N 0 3 175.247 1.193 10 0 ADAEHN C[C@@H]1CC[C@H](N2CCO[C@H]3C[C@H]32)C1 307149099 1224277853 /nfs/dbraw/zinc/27/78/53/1224277853.db2.gz RBVSWBGKLLYCRS-YTWAJWBKSA-N 0 3 181.279 1.648 10 0 ADAEHN C[C@@H]1CC[C@H](N2CCO[C@@H]3C[C@@H]32)C1 307149098 1224278169 /nfs/dbraw/zinc/27/81/69/1224278169.db2.gz RBVSWBGKLLYCRS-VPOLOUISSA-N 0 3 181.279 1.648 10 0 ADAEHN CCCN1CC[C@](N)(C(F)(F)F)C1 307349746 1224283108 /nfs/dbraw/zinc/28/31/08/1224283108.db2.gz ABGVIVXUZCKHCM-SSDOTTSWSA-N 0 3 196.216 1.362 10 0 ADAEHN CCCN1CC[C@@](N)(C(F)(F)F)C1 307349747 1224283449 /nfs/dbraw/zinc/28/34/49/1224283449.db2.gz ABGVIVXUZCKHCM-ZETCQYMHSA-N 0 3 196.216 1.362 10 0 ADAEHN CN(Cc1cc[nH]c1)[C@H]1CCOC1 307510260 1224285939 /nfs/dbraw/zinc/28/59/39/1224285939.db2.gz KNPKEXYFTNOLHJ-JTQLQIEISA-N 0 3 180.251 1.235 10 0 ADAEHN OCc1ccc(CN2CCC2)cc1 307515225 1224286097 /nfs/dbraw/zinc/28/60/97/1224286097.db2.gz GRDNPGMTWHUFJZ-UHFFFAOYSA-N 0 3 177.247 1.385 10 0 ADAEHN CN(Cc1cc[nH]c1)[C@@H]1CCOC1 307510263 1224286242 /nfs/dbraw/zinc/28/62/42/1224286242.db2.gz KNPKEXYFTNOLHJ-SNVBAGLBSA-N 0 3 180.251 1.235 10 0 ADAEHN C[C@@H]1CCN(Cc2cncnc2)C1 307759717 1224291610 /nfs/dbraw/zinc/29/16/10/1224291610.db2.gz SVTNTUXAKPWXNA-SECBINFHSA-N 0 3 177.251 1.318 10 0 ADAEHN CCN(Cc1cnoc1)C(C)C 308011876 1224293474 /nfs/dbraw/zinc/29/34/74/1224293474.db2.gz GDWCXRMLCKGIOD-UHFFFAOYSA-N 0 3 168.240 1.905 10 0 ADAEHN CCN(C)Cc1ccnc(OC)c1 308286739 1224297890 /nfs/dbraw/zinc/29/78/90/1224297890.db2.gz CGGMQJSCQYJXTA-UHFFFAOYSA-N 0 3 180.251 1.542 10 0 ADAEHN CCCCCCN1CC(N(C)C)C1 379416667 1224314794 /nfs/dbraw/zinc/31/47/94/1224314794.db2.gz SFLOVFMBYWQCQC-UHFFFAOYSA-N 0 3 184.327 1.813 10 0 ADAEHN COCCN(C)Cc1cc[nH]c1 388387912 1224325797 /nfs/dbraw/zinc/32/57/97/1224325797.db2.gz AEIVJWVRJSEUPO-UHFFFAOYSA-N 0 3 168.240 1.093 10 0 ADAEHN Cc1ccc(CN2CCCC2)c(N)n1 606264783 1224347297 /nfs/dbraw/zinc/34/72/97/1224347297.db2.gz JDVIHKFGENZNLP-UHFFFAOYSA-N 0 3 191.278 1.568 10 0 ADAEHN CC[C@]1(O)CCN(Cc2ccoc2)C1 779220166 1224352970 /nfs/dbraw/zinc/35/29/70/1224352970.db2.gz ZQKRJRZOCLXTBH-NSHDSACASA-N 0 3 195.262 1.626 10 0 ADAEHN CC[C@@]1(O)CCN(Cc2ccoc2)C1 779220165 1224353154 /nfs/dbraw/zinc/35/31/54/1224353154.db2.gz ZQKRJRZOCLXTBH-LLVKDONJSA-N 0 3 195.262 1.626 10 0 ADAEHN Cc1ccc(CN2CC[C@H]3C[C@H]32)cn1 846837517 1224359657 /nfs/dbraw/zinc/35/96/57/1224359657.db2.gz NVBCJQPNKONGHP-NWDGAFQWSA-N 0 3 188.274 1.984 10 0 ADAEHN Cc1ccncc1N1CCNC[C@H]1C 83087462 525754806 /nfs/dbraw/zinc/75/48/06/525754806.db2.gz SANJVXVURCSQQO-SNVBAGLBSA-N 0 3 191.278 1.188 10 0 ADAEHN Cc1ccncc1N1CCN[C@@H](C)C1 83084408 525755734 /nfs/dbraw/zinc/75/57/34/525755734.db2.gz XRYXPPSGJLCVCA-JTQLQIEISA-N 0 3 191.278 1.188 10 0 ADAEHN Cc1ccncc1N1CCN[C@H](C)C1 83084407 525755786 /nfs/dbraw/zinc/75/57/86/525755786.db2.gz XRYXPPSGJLCVCA-SNVBAGLBSA-N 0 3 191.278 1.188 10 0 ADAEHN Cc1ccncc1N1CCNC[C@@H]1C 83087460 525756243 /nfs/dbraw/zinc/75/62/43/525756243.db2.gz SANJVXVURCSQQO-JTQLQIEISA-N 0 3 191.278 1.188 10 0 ADAEHN CN(CC1=NOCC1)CC1CC1 1307422231 1224431899 /nfs/dbraw/zinc/43/18/99/1224431899.db2.gz PYLJKSWGCBWHBJ-UHFFFAOYSA-N 0 3 168.240 1.105 10 0 ADAEHN C[C@@]1(C(=O)N2CCCC2)CCCCN1 157280099 525785064 /nfs/dbraw/zinc/78/50/64/525785064.db2.gz YSAGXUWAGFOFEN-NSHDSACASA-N 0 3 196.294 1.141 10 0 ADAEHN Cc1n[nH]c(CN2CC[C@@H](C)C2)c1C 1331978053 1224455583 /nfs/dbraw/zinc/45/55/83/1224455583.db2.gz BRLRERMQEQAZDL-MRVPVSSYSA-N 0 3 193.294 1.868 10 0 ADAEHN Cc1n[nH]c(CN2CC[C@H](C)C2)c1C 1331978054 1224455669 /nfs/dbraw/zinc/45/56/69/1224455669.db2.gz BRLRERMQEQAZDL-QMMMGPOBSA-N 0 3 193.294 1.868 10 0 ADAEHN CC[C@@H](C(=O)N[C@H]1CC[C@@H]1C)N(C)C 1350732115 1224469524 /nfs/dbraw/zinc/46/95/24/1224469524.db2.gz OVNCTWAYFINMBP-GUBZILKMSA-N 0 3 198.310 1.241 10 0 ADAEHN CC[C@@H](C(=O)N[C@@H]1CC[C@@H]1C)N(C)C 1350732112 1224469535 /nfs/dbraw/zinc/46/95/35/1224469535.db2.gz OVNCTWAYFINMBP-AEJSXWLSSA-N 0 3 198.310 1.241 10 0 ADAEHN CC[C@@H](C(=O)N[C@H]1CC[C@H]1C)N(C)C 1350732117 1224469578 /nfs/dbraw/zinc/46/95/78/1224469578.db2.gz OVNCTWAYFINMBP-UTLUCORTSA-N 0 3 198.310 1.241 10 0 ADAEHN CC[C@@H](C(=O)N[C@@H]1CC[C@H]1C)N(C)C 1350732114 1224469616 /nfs/dbraw/zinc/46/96/16/1224469616.db2.gz OVNCTWAYFINMBP-BBBLOLIVSA-N 0 3 198.310 1.241 10 0 ADAEHN C[C@@H](O)CCN(C)CC1(F)CC1 388393168 538431566 /nfs/dbraw/zinc/43/15/66/538431566.db2.gz DWMISAUSCRTJRL-MRVPVSSYSA-N 0 3 175.247 1.191 10 0 ADAEHN CCC[C@H](O)CNCC1(F)CC1 388513282 538433317 /nfs/dbraw/zinc/43/33/17/538433317.db2.gz SMEYEKAAIMXTNW-QMMMGPOBSA-N 0 3 175.247 1.239 10 0 ADAEHN CCC[C@@H](O)CNCC1(F)CC1 388513281 538433452 /nfs/dbraw/zinc/43/34/52/538433452.db2.gz SMEYEKAAIMXTNW-MRVPVSSYSA-N 0 3 175.247 1.239 10 0 ADAEHN CCCn1cc(CN(C)CC)cn1 388594772 538433731 /nfs/dbraw/zinc/43/37/31/538433731.db2.gz CGLCIDVBXYKTEW-UHFFFAOYSA-N 0 3 181.283 1.745 10 0 ADAEHN CC(C)N(CC1=NOCC1)C1CC1 1615346669 1224502606 /nfs/dbraw/zinc/50/26/06/1224502606.db2.gz MQNXOPLREKXNTQ-UHFFFAOYSA-N 0 3 182.267 1.636 10 0 ADAEHN C[C@H](F)CCN[C@H](C)c1cn[nH]c1 388596059 538433977 /nfs/dbraw/zinc/43/39/77/538433977.db2.gz CVZDSYZDHGFJDC-JGVFFNPUSA-N 0 3 185.246 1.808 10 0 ADAEHN CC(C)=CCN(C)CCn1cnnc1 1655491904 1224515357 /nfs/dbraw/zinc/51/53/57/1224515357.db2.gz MBPJNWYGGAIOKG-UHFFFAOYSA-N 0 3 194.282 1.176 10 0 ADAEHN CCN(C#N)CCN(C)CC1CCC1 1655796920 1224516250 /nfs/dbraw/zinc/51/62/50/1224516250.db2.gz AKRDSTMWKNULBK-UHFFFAOYSA-N 0 3 195.310 1.521 10 0 ADAEHN CC(=O)CNC1([C@@H]2CCCO2)CCC1 1655886363 1224516333 /nfs/dbraw/zinc/51/63/33/1224516333.db2.gz KOAORLKWRBNCNV-JTQLQIEISA-N 0 3 197.278 1.267 10 0 ADAEHN CCOc1ccc([C@@H](C)NC)o1 675056460 538449245 /nfs/dbraw/zinc/44/92/45/538449245.db2.gz KLRYOSDIAANHTO-SSDOTTSWSA-N 0 3 169.224 1.959 10 0 ADAEHN Nc1ccncc1-c1cncc(C=O)c1 675058240 538449622 /nfs/dbraw/zinc/44/96/22/538449622.db2.gz XMMWPYCGWNWHQM-UHFFFAOYSA-N 0 3 199.213 1.369 10 0 ADAEHN Cc1ccc2c(c1)N(C)C[C@@H](CN)O2 71482851 526168039 /nfs/dbraw/zinc/16/80/39/526168039.db2.gz PVBMBGSLFBEDRE-SECBINFHSA-N 0 3 192.262 1.151 10 0 ADAEHN Cc1ccc2c(c1)N(C)C[C@H](CN)O2 71482849 526167819 /nfs/dbraw/zinc/16/78/19/526167819.db2.gz PVBMBGSLFBEDRE-VIFPVBQESA-N 0 3 192.262 1.151 10 0 ADAEHN C[C@H]1CC(=O)CCN1c1ccncc1 71603344 526210024 /nfs/dbraw/zinc/21/00/24/526210024.db2.gz KMTPKTMVGBAVKR-VIFPVBQESA-N 0 3 190.246 1.639 10 0 ADAEHN C[C@@H]1CC(=O)CCN1c1ccncc1 71603342 526210393 /nfs/dbraw/zinc/21/03/93/526210393.db2.gz KMTPKTMVGBAVKR-SECBINFHSA-N 0 3 190.246 1.639 10 0 ADAEHN c1cc(CN[C@@H]2CCCOC2)co1 71012587 526428801 /nfs/dbraw/zinc/42/88/01/526428801.db2.gz NYNRJKPHXDHNCR-SNVBAGLBSA-N 0 3 181.235 1.548 10 0 ADAEHN c1cc(CN[C@H]2CCCOC2)co1 71012591 526429542 /nfs/dbraw/zinc/42/95/42/526429542.db2.gz NYNRJKPHXDHNCR-JTQLQIEISA-N 0 3 181.235 1.548 10 0 ADAEHN c1cc2c(cn1)NC[C@H]1CCCCN21 82390788 526443386 /nfs/dbraw/zinc/44/33/86/526443386.db2.gz JZVCSGYLNUXNMC-SECBINFHSA-N 0 3 189.262 1.866 10 0 ADAEHN c1cc2c(cn1)NC[C@@H]1CCCCN21 82390789 526443940 /nfs/dbraw/zinc/44/39/40/526443940.db2.gz JZVCSGYLNUXNMC-VIFPVBQESA-N 0 3 189.262 1.866 10 0 ADAEHN c1ccc2c(c1)C[C@H]1CN2CCN1 75564807 526507878 /nfs/dbraw/zinc/50/78/78/526507878.db2.gz YSWKTXIRNCPAHK-JTQLQIEISA-N 0 3 174.247 1.021 10 0 ADAEHN c1cncc(N2C[C@H]3CC[C@@H]2CN3)c1 52634788 526547306 /nfs/dbraw/zinc/54/73/06/526547306.db2.gz IKJZJZXKGKENDY-MWLCHTKSSA-N 0 3 189.262 1.022 10 0 ADAEHN Clc1ccncc1N1CCNCC1 83342849 526993354 /nfs/dbraw/zinc/99/33/54/526993354.db2.gz SNXYPHSLPKVATR-UHFFFAOYSA-N 0 3 197.669 1.145 10 0 ADAEHN CC(C)c1cccc2c1[C@@H](N)[C@@H](O)C2 205879674 528188599 /nfs/dbraw/zinc/18/85/99/528188599.db2.gz LFJCMAIRHIWPTC-JQWIXIFHSA-N 0 3 191.274 1.727 10 0 ADAEHN